SMILES	MCREGNO	ROBOT	FXA	TRYPSIN	UPA	TRYPTASE	CHYMOTRYP
CO.Nc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005527	A22B7C4	110	100	110	110	110
O.CO.CCCC[N+]#[C-].Nc1ccncc1.C=O	MC-0000012916	A44B4C14	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018474	A39B10C22	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013113	A12B9C15	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.NCc1cccc(N)c1	MC-0000004457	A43B9C2	110	100	110	36.308	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006293	A26B5C5	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018243	A25B3C22	110	100	110	72.444	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000012151	A40B7C13	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014179	A35B3C16	110	100	110	87.096	110
CO.NCc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016636	A12B12C20	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1	MC-0000006120	A15B8C5	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015763	A2B3C19	110	100	110	30.903	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007409	A8B1C7	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017302	A10B6C21	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019441	A12B1C24	24.547	100	110	15.849	110
CO.Nc1ccncc1.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019588	A21B4C24	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000019099	A34B11C23	12.589	100	25.93	15.488	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O	MC-0000004904	A27B8C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1ccccc1C=O	MC-0000005119	A40B15C3	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003186	A8B2C1	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.OCc1ccc(C=O)o1	MC-0000004774	A19B6C3	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1	MC-0000019042	A31B2C23	110	100	110	110	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014729	A25B9C17	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014666	A21B10C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015592	A35B8C18	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017044	A38B4C20	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017345	A13B1C21	110	100	110	74.131	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000006819	A15B3C6	110	100	110	54.954	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000010041	A40B9C10	110	100	110	38.905	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccccn1	MC-0000012724	A32B4C14	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019755	A31B11C24	110	100	51.58	46.774	110
Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000018313	A29B9C22	110	100	110	53.703	110
O.CO.NCc1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009173	A30B5C9	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011808	A18B16C13	110	100	110	52.481	110
CO.CCOC(=O)C1CC1C=O.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016826	A24B10C20	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000017952	A6B16C22	110	100	110	48.978	110
CO.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014402	A5B2C17	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016269	A33B13C19	43.652	100	110	31.623	110
O.CO.Nc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003542	A30B6C1	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000017895	A3B7C22	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003257	A12B9C1	110	100	110	48.978	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007906	A39B2C7	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006432	A34B16C5	110	81.2	89.92	23.442	110
CO.Nc1cccnc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015366	A21B6C18	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CCCCC1	MC-0000006925	A21B13C6	43.652	100	110	39.811	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008384	A24B16C8	110	100	110	44.668	110
CO.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016501	A4B5C20	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].CSCCC=O.NCc1ccc(cc1)C(=N)N	MC-0000009651	A16B3C10	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1ccncc1	MC-0000004036	A17B4C2	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016653	A13B13C20	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000003968	A12B16C2	91.201	38.4	99.91	19.498	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1C=O	MC-0000018490	A40B10C22	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017112	A42B8C20	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019733	A30B5C24	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019447	A12B7C24	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000004612	A9B4C3	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O	MC-0000017966	A7B14C22	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016496	A3B16C20	110	100	110	61.66	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016782	A21B14C20	110	100	110	110	110
O.CO.CC(C)CC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000016526	A5B14C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008765	A4B13C9	110	100	110	31.623	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.C=O	MC-0000019250	A44B2C23	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019960	A44B8C24	110	100	110	110	110
CO.CCCCCC=O.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014351	A1B15C17	110	100	110	110	110
CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000010895	A5B15C12	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013668	A3B4C16	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.OCC(O)C(O)CC=O	MC-0000007023	A27B15C6	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000006953	A23B9C6	110	100	110	53.703	110
CO.CCCC[N+]#[C-].CC(C)CC=O.NCc1ccncc1	MC-0000012298	A5B10C14	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015168	A8B16C18	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000006253	A23B13C5	67.608	100	110	10	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016593	A10B1C20	52.481	100	110	72.444	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018131	A18B3C22	110	100	110	21.38	110
CO.Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017558	A26B6C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013019	A6B11C15	18.197	100	37.36	7.586	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014608	A17B16C17	110	100	110	44.668	110
CO.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014162	A34B2C16	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005809	A40B1C4	44.668	100	110	33.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008315	A20B11C8	50.119	58.9	84.43	42.658	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=CC1CCCCC1	MC-0000011141	A21B5C12	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013069	A9B13C15	33.113	100	110	27.542	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016735	A18B15C20	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008223	A14B15C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008725	A2B5C9	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=CCc1ccccc1	MC-0000006383	A31B15C5	110	100	110	110	110
O.CO.Nc1cccnc1.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016438	A44B6C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015963	A14B11C19	89.125	100	45.55	29.512	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000004293	A33B5C2	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003110	A3B6C1	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006350	A29B14C5	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014753	A27B1C17	110	100	110	37.154	110
CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1	MC-0000009450	A3B10C10	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000018213	A23B5C22	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010307	A13B3C11	110	100	110	91.201	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000015008	A42B16C17	110	100	110	40.738	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014283	A41B11C16	110	100	26.29	30.903	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015087	A3B15C18	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011059	A16B3C12	110	100	110	54.954	110
CO.COc1cccc(C=O)c1OC.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007974	A43B6C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017640	A31B8C21	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000010635	A33B11C11	110	100	86.59	34.674	110
O.CO.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015470	A27B14C18	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008556	A35B12C8	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.Clc1ccc(C=O)cc1	MC-0000012287	A4B15C14	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009181	A30B13C9	110	100	110	23.442	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015572	A34B4C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014178	A35B2C16	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013165	A15B13C15	43.652	100	110	27.542	110
CO.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019330	A5B2C24	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1	MC-0000011860	A22B4C13	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CCCCC1	MC-0000006926	A21B14C6	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008065	A5B1C8	110	100	110	51.286	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O	MC-0000010738	A40B2C11	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015666	A40B2C18	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005488	A19B16C4	110	100	110	61.66	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].NCc1cccnc1	MC-0000010508	A25B12C11	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013092	A11B4C15	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005851	A42B11C4	110	100	83.53	30.2	110
Cl.CO.NCc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017577	A27B9C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003433	A23B9C1	110	100	110	42.658	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009105	A26B1C9	66.069	100	110	41.687	110
CO.NCc1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016757	A20B5C20	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017169	A2B1C21	110	100	110	40.738	110
O.O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017630	A30B14C21	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009382	A43B6C9	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000018399	A34B15C22	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1c[nH]c2ccccc12	MC-0000003807	A2B15C2	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015224	A12B8C18	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000016830	A24B14C20	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1C=O	MC-0000019196	A40B12C23	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015987	A16B3C19	110	100	110	23.988	110
CO.NCc1cccnc1.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005676	A31B12C4	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014094	A29B14C16	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000009432	A2B8C10	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004689	A14B1C3	110	100	110	40.738	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005869	A43B13C4	12.882	100	110	58.884	110
CO.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007554	A17B2C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019326	A4B14C24	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000010141	A2B13C11	52.481	100	110	22.909	110
CO.Nc1ccccc1.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000017007	A35B15C20	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019169	A39B1C23	100	100	110	28.84	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000006647	A4B7C6	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005627	A28B11C4	110	100	72.28	24.547	110
O.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.C=O	MC-0000005177	A44B9C3	110	100	110	46.774	110
Cl.CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011529	A1B9C13	110	100	110	46.774	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015943	A13B7C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016061	A20B13C19	32.359	79.6	110	25.704	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.OCC=O	MC-0000019143	A37B7C23	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2	MC-0000018702	A9B14C23	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000011109	A19B5C12	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014232	A38B8C16	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000011837	A20B13C13	24.547	100	110	19.953	110
O.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000018329	A30B9C22	110	100	110	67.608	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000011107	A19B3C12	110	100	110	51.286	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018242	A25B2C22	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1ccco1	MC-0000004569	A6B9C3	110	100	110	21.878	110
CO.Nc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003575	A32B7C1	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12	MC-0000004510	A2B14C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018784	A14B16C23	110	100	110	46.774	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000011668	A10B4C13	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018476	A39B12C22	110	100	110	110	110
CO.Nc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014631	A19B7C17	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccco1	MC-0000010205	A6B13C11	30.2	100	53.74	24.547	110
CO.Nc1cccnc1.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019814	A35B6C24	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1	MC-0000011122	A20B2C12	110	100	110	110	3.981
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000010704	A37B16C11	110	100	66.07	25.119	110
O.CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1ncc[nH]1	MC-0000011295	A30B15C12	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008466	A30B2C8	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015946	A13B10C19	110	100	110	74.131	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccn1	MC-0000011317	A32B5C12	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000011243	A27B11C12	110	100	37.63	30.903	110
O.CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012680	A29B8C14	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004456	A43B8C2	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013915	A18B11C16	110	100	69.04	35.481	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016719	A17B15C20	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=CC1CC1	MC-0000007188	A38B4C6	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc2OCOc2c1	MC-0000010079	A42B15C10	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013680	A3B16C16	110	100	110	56.234	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008532	A34B4C8	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017084	A40B12C20	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019744	A30B16C24	61.66	60.8	110	22.909	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.OCC=O	MC-0000018447	A37B15C22	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003493	A27B5C1	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017799	A41B7C21	110	100	110	110	110
CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000010892	A5B12C12	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003630	A35B14C1	110	100	110	110	110
CO.CCCC[N+]#[C-].CC(=O)C=O.NCc1ccncc1	MC-0000012874	A41B10C14	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1	MC-0000011752	A15B8C13	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015247	A13B15C18	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013610	A43B10C15	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017075	A40B3C20	110	100	110	58.884	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004387	A39B3C2	110	100	110	8.128	110
CO.CSCCC=O.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015295	A16B15C18	110	100	110	110	110
CO.CSCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017394	A16B2C21	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016303	A35B15C19	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016180	A28B4C19	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1cccs1	MC-0000009958	A35B6C10	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018232	A24B8C22	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005675	A31B11C4	110	100	96.31	42.658	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008629	A40B5C8	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013654	A2B6C16	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010722	A39B2C11	110	100	110	110	110
CO.Nc1cccnc1.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013414	A31B6C15	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1C=O	MC-0000018492	A40B12C22	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019941	A43B5C24	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CC1	MC-0000004370	A38B2C2	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000004611	A9B3C3	110	100	110	53.703	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000003906	A9B2C2	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011797	A18B5C13	110	100	110	110	110
CO.NCc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014652	A20B12C17	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019646	A24B14C24	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000004652	A11B12C3	110	100	93.7	110	110
CO.Nc1ccccc1.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005551	A23B15C4	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010225	A8B1C11	110	100	110	50.119	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000009588	A12B4C10	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013070	A9B14C15	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.OCC=O	MC-0000012806	A37B6C14	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.C=O	MC-0000005180	A44B12C3	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014260	A40B4C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013506	A37B2C15	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016561	A8B1C20	110	100	110	53.703	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1	MC-0000004313	A34B9C2	110	100	110	11.749	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003219	A10B3C1	110	100	110	81.283	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003737	A42B9C1	110	100	110	64.565	110
CO.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008258	A17B2C8	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017482	A21B10C21	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000004272	A31B16C2	100	55.8	65.44	16.218	110
CO.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017765	A39B5C21	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000011477	A42B5C12	110	100	110	110	110
CO.CCCCCC=O.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005188	A1B4C4	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1	MC-0000009945	A34B9C10	110	100	110	48.978	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006962	A24B2C6	110	100	110	110	110
CO.COCC[N+]#[C-].CC(C)CC=O.NCc1ccc(N)cc1	MC-0000009477	A5B5C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000011815	A19B7C13	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007765	A30B5C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1	MC-0000012002	A31B2C13	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008003	A1B3C8	110	100	110	39.811	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1	MC-0000012449	A15B1C14	110	100	110	79.433	110
CO.Nc1cccnc1.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014230	A38B6C16	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=CCc1ccccc1	MC-0000004262	A31B6C2	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019173	A39B5C23	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000011691	A11B11C13	87.096	100	46.9	38.905	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000011245	A27B13C12	110	100	110	21.878	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1	MC-0000009954	A35B2C10	110	100	110	110	110
CO.Nc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013156	A15B4C15	110	100	110	110	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016489	A3B9C20	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].Nc1ccncc1	MC-0000010372	A17B4C11	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003095	A2B7C1	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019577	A20B9C24	110	100	110	77.625	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011522	A1B2C13	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016282	A34B10C19	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017290	A9B10C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005709	A33B13C4	38.019	36.3	110	26.303	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013233	A20B1C15	70.795	100	110	31.623	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.Nc1cccc(N)c1	MC-0000005159	A43B7C3	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008510	A32B14C8	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016021	A18B5C19	110	100	110	110	110
CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.Nc1cccnc1	MC-0000012422	A13B6C14	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016480	A2B16C20	110	100	110	63.096	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004386	A39B2C2	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000012403	A12B3C14	110	100	110	28.184	110
CO.CCCC[N+]#[C-].CSCCC=O.Nc1cccc(N)c1	MC-0000012471	A16B7C14	110	100	110	110	110
O.CO.Nc1ccccc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016223	A30B15C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014921	A37B9C17	110	100	110	1.862	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008967	A17B7C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014642	A20B2C17	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000007047	A29B7C6	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008096	A6B16C8	110	100	110	46.774	110
O.CO.NCc1cccnc1.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015036	A44B12C17	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006110	A14B14C5	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1	MC-0000004314	A34B10C2	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013163	A15B11C15	69.183	100	36.64	32.359	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016896	A28B16C20	110	100	110	58.884	110
CO.Nc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009364	A42B4C9	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016732	A18B12C20	110	100	110	110	110
CO.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016575	A8B15C20	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017818	A42B10C21	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC=O	MC-0000019137	A37B1C23	57.544	100	110	1.585	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000003925	A10B5C2	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000010407	A19B7C11	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019479	A14B7C24	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCc1ccccc1	MC-0000019051	A31B11C23	44.668	100	59.86	28.184	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000009925	A33B5C10	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CC1	MC-0000006491	A38B11C5	110	100	87.04	47.863	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003264	A12B16C1	110	100	99.91	48.978	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013805	A11B13C16	39.811	100	87.76	41.687	110
O.CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000019214	A41B14C23	110	100	110	110	110
O.Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.C=O	MC-0000004477	A44B13C2	42.658	56.1	46.36	12.303	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005387	A13B11C4	61.66	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019854	A37B14C24	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1	MC-0000007038	A28B14C6	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016986	A34B10C20	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CCCCC1	MC-0000012557	A21B13C14	44.668	100	110	41.687	110
Cl.CO.CSCCC=O.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015289	A16B9C18	110	100	110	91.201	110
Cl.CO.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005705	A33B9C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015399	A23B7C18	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014720	A24B16C17	110	100	110	60.256	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003466	A25B10C1	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=CCCc1ccccc1	MC-0000018799	A15B15C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000006528	A40B16C5	110	100	110	42.658	110
CO.NCc1ccc(N)cc1.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008421	A27B5C8	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015744	A44B16C18	110	100	110	50.119	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1	MC-0000011871	A22B15C13	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000018564	A1B4C23	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017061	A39B5C20	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000004371	A38B3C2	110	100	110	0.288	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017316	A11B4C21	110	100	99.91	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011915	A25B11C13	79.433	100	45.37	22.387	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019895	A40B7C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003282	A14B2C1	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014387	A4B3C17	110	100	110	46.774	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016270	A33B14C19	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000011664	A9B16C13	110	100	110	64.565	110
CO.Nc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003590	A33B6C1	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018139	A18B11C22	110	100	83.26	70.795	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000012736	A32B16C14	110	100	110	63.096	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017501	A22B13C21	52.481	100	110	41.687	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000009564	A10B12C10	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000006896	A19B16C6	110	100	110	69.183	110
CO.NCc1ccncc1.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013274	A22B10C15	110	100	110	110	110
CO.Nc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016870	A27B6C20	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015714	A43B2C18	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018267	A26B11C22	64.565	100	110	37.154	110
O.CO.CCCCCC=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013640	A1B8C16	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017199	A3B15C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014738	A26B2C17	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=CC1CC1	MC-0000012828	A38B12C14	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000012000	A30B16C13	110	100	110	47.863	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1	MC-0000018456	A38B8C22	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019394	A9B2C24	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015897	A10B9C19	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015788	A3B12C19	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000004839	A23B7C3	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006155	A17B11C5	110	100	95.5	44.668	110
Cl.Cl.CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006531	A41B3C5	110	100	110	46.774	110
CO.Nc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005702	A33B6C4	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccs1	MC-0000018405	A35B5C22	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016030	A18B14C19	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017684	A34B4C21	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1	MC-0000018200	A22B8C22	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019642	A24B10C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007909	A39B5C7	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=CCCc1ccccc1	MC-0000012460	A15B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012837	A39B5C14	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003689	A39B9C1	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011491	A43B3C12	110	100	110	57.544	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016847	A25B15C20	110	100	110	110	110
O.Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1	MC-0000011985	A30B1C13	110	100	110	40.738	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000019090	A34B2C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.Clc1ccc(C=O)cc1	MC-0000018614	A4B6C23	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000017095	A41B7C20	110	100	110	110	110
CO.COCC[N+]#[C-].CC(=O)C=O.NCc1ccc(N)cc1	MC-0000010053	A41B5C10	110	100	110	74.131	110
CO.CC(C)CC=O.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013702	A5B6C16	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O	MC-0000007217	A40B1C6	83.176	100	110	45.709	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018775	A14B7C23	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc[nH]1	MC-0000011180	A23B12C12	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013347	A27B3C15	110	100	110	25.119	110
CO.Nc1ccccc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016639	A12B15C20	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000005001	A33B9C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000011679	A10B15C13	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1ccco1	MC-0000009500	A6B12C10	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003442	A24B2C1	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016898	A29B2C20	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013959	A21B7C16	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008513	A33B1C8	110	100	110	57.544	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009523	A8B3C10	110	100	110	83.176	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014084	A29B4C16	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011635	A8B3C13	110	100	110	54.954	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017053	A38B13C20	57.544	100	110	30.2	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010246	A9B6C11	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006005	A8B5C5	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007650	A23B2C7	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1C=O	MC-0000007231	A40B15C6	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000005040	A35B16C3	110	100	110	110	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.C=O	MC-0000019259	A44B11C23	72.444	100	1	1.862	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014080	A28B16C16	110	100	110	40.738	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000009572	A11B4C10	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015257	A14B9C18	110	100	110	110	110
Cl.CO.CC(=O)C=O.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014985	A41B9C17	110	100	110	22.387	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000011628	A7B12C13	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N	MC-0000009667	A17B3C10	110	100	110	57.544	110
CO.Nc1cccc(N)c1.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015975	A15B7C19	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017523	A24B3C21	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1	MC-0000012546	A21B2C14	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016833	A25B1C20	110	100	110	77.625	110
O.CO.CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005566	A24B14C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017288	A9B8C21	110	100	110	110	110
CO.Nc1ccccc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015535	A31B15C18	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016931	A31B3C20	110	100	110	52.481	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000003878	A7B6C2	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008962	A17B2C9	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1	MC-0000009912	A32B8C10	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009229	A33B13C9	110	100	110	35.481	110
CO.Nc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003700	A40B4C1	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008189	A12B13C8	17.378	75.7	110	30.903	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000018748	A12B12C23	66.069	100	32.59	31.623	110
CO.Nc1ccccc1.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016799	A22B15C20	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccco1	MC-0000017943	A6B7C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1ccc[nH]1	MC-0000018918	A23B6C23	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000004586	A7B10C3	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006419	A34B3C5	110	100	110	32.359	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010244	A9B4C11	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011490	A43B2C12	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008535	A34B7C8	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000018292	A28B4C22	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007798	A32B6C7	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008207	A13B15C8	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005861	A43B5C4	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014993	A42B1C17	110	100	110	23.442	110
CO.NCc1ccncc1.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016778	A21B10C20	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000018705	A10B1C23	56.234	100	110	42.658	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007824	A33B16C7	110	100	110	87.096	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009368	A42B8C9	110	100	110	110	110
CO.Nc1ccccc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014863	A33B15C17	110	100	110	110	110
CO.Nc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005492	A20B4C4	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1	MC-0000004215	A28B7C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016864	A26B16C20	110	100	110	46.774	110
CO.NCc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003178	A7B10C1	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015425	A25B1C18	110	100	110	74.131	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016977	A34B1C20	110	100	110	22.387	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000012884	A42B4C14	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1ccco1	MC-0000010204	A6B12C11	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017491	A22B3C21	110	100	110	52.481	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016232	A31B8C19	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018027	A11B11C22	85.114	100	50.95	85.114	110
O.CO.Nc1cccc(N)c1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016215	A30B7C19	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.C=O	MC-0000006588	A44B12C5	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016291	A35B3C19	110	100	110	28.184	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007640	A22B8C7	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016900	A29B4C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007933	A40B13C7	75.858	15.1	110	22.387	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=CCCc1ccccc1	MC-0000006127	A15B15C5	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccn1	MC-0000004283	A32B11C2	95.499	49.2	40.96	19.498	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017690	A34B10C21	110	100	110	110	110
Cl.CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].NCc1cccc(N)c1	MC-0000009785	A24B9C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccccn1	MC-0000012028	A32B12C13	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008182	A12B6C8	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019747	A31B3C24	110	100	110	31.623	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010515	A26B3C11	110	100	110	51.286	110
CO.C[N+]#[C-].NCc1ccncc1.Clc1ccc(C=O)cc1	MC-0000010170	A4B10C11	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008931	A15B3C9	110	100	110	40.738	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014768	A27B16C17	110	100	110	34.674	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009112	A26B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O	MC-0000018488	A40B8C22	110	100	94.6	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014291	A42B3C16	110	100	110	51.286	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000018502	A41B6C22	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccs1	MC-0000011365	A35B5C12	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000017135	A43B15C20	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016869	A27B5C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013661	A2B13C16	48.978	100	110	52.481	110
CO.Nc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013479	A35B7C15	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017520	A23B16C21	110	100	110	35.481	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000009580	A11B12C10	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016152	A26B8C19	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000019155	A38B3C23	110	100	110	38.905	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015077	A3B5C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014526	A12B14C17	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010930	A8B2C12	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000003927	A10B7C2	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019863	A38B7C24	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009249	A35B1C9	110	100	110	46.774	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013907	A18B3C16	110	100	110	70.795	110
CO.COc1cccc(C=O)c1OC.C[N+]#[C-].NCc1cccnc1	MC-0000010796	A43B12C11	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019589	A21B5C24	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].Nc1ccccc1	MC-0000010383	A17B15C11	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000019193	A40B9C23	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007925	A40B5C7	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015409	A24B1C18	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011531	A1B11C13	36.308	100	55.81	33.113	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=CC1CCCCC1	MC-0000011845	A21B5C13	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017252	A7B4C21	110	100	110	110	81.283
O.CO.CCCCCC=O.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006600	A1B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017480	A21B8C21	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000019093	A34B5C23	110	100	110	63.096	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013803	A11B11C16	75.858	100	40.6	41.687	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011277	A29B13C12	46.774	100	110	25.704	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017054	A38B14C20	110	100	110	110	110
CO.CCCCCC=O.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013644	A1B12C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008178	A12B2C8	110	100	110	110	110
O.CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006542	A41B14C5	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013950	A20B14C16	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013826	A13B2C16	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1	MC-0000004921	A28B9C3	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.OCC=O	MC-0000011399	A37B7C12	110	100	110	110	110
CO.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007916	A39B12C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008318	A20B14C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007934	A40B14C7	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017757	A38B13C21	110	100	110	38.905	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000011888	A23B16C13	110	100	110	27.542	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017499	A22B11C21	110	100	110	61.66	110
CO.NCc1ccncc1.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013962	A21B10C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017493	A22B5C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016045	A19B13C19	17.783	100	61.48	7.762	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005453	A17B13C4	47.863	56.2	110	18.621	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.OCC=O	MC-0000012805	A37B5C14	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1	MC-0000012265	A3B9C14	110	100	110	77.625	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017196	A3B12C21	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccco1	MC-0000005982	A6B14C5	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014438	A7B6C17	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016675	A15B3C20	110	100	110	48.978	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1	MC-0000004461	A43B13C2	25.704	56.2	110	22.387	110
CO.CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005554	A24B2C4	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016891	A28B11C20	110	100	70.12	21.878	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019917	A41B13C24	66.069	100	110	23.988	110
CO.NCc1cccnc1.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007900	A38B12C7	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007204	A39B4C6	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016850	A26B2C20	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1ncc[nH]1	MC-0000004956	A30B12C3	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008626	A40B2C8	110	100	110	110	110
CO.Nc1cccnc1.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009286	A37B6C9	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014996	A42B4C17	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019643	A24B11C24	110	100	60.31	32.359	110
Cl.CO.NCc1cccc(N)c1.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009305	A38B9C9	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008267	A17B11C8	110	100	110	47.863	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003096	A2B8C1	110	100	110	110	110
CO.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005826	A41B2C4	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003507	A28B3C1	110	100	32.23	30.2	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000018578	A2B2C23	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017192	A3B8C21	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006961	A24B1C6	110	100	110	64.565	110
CO.NCc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007962	A42B10C7	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=CCCc1ccccc1	MC-0000018796	A15B12C23	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019275	A1B11C24	83.176	88.6	45.28	28.184	110
CO.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008612	A39B4C8	110	100	110	110	110
CO.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014250	A39B10C16	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015432	A25B8C18	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007502	A13B14C7	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013843	A14B3C16	110	100	110	48.978	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014620	A18B12C17	110	100	110	110	110
CO.CCCCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017154	A1B2C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003399	A21B7C1	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010797	A43B13C11	20.417	100	110	36.308	110
CO.Nc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014052	A27B4C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014037	A26B5C16	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019806	A34B14C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015624	A37B8C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005762	A37B2C4	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1	MC-0000007134	A34B14C6	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003655	A37B7C1	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017051	A38B11C20	110	100	39.16	28.184	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1	MC-0000018194	A22B2C22	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009370	A42B10C9	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000019232	A42B16C23	110	100	110	39.811	110
CO.Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003479	A26B7C1	110	100	110	110	110
CO.CCCCCC=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007301	A1B5C7	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017485	A21B13C21	57.544	100	110	74.131	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.OCC=O	MC-0000019146	A37B10C23	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007899	A38B11C7	110	100	63.37	30.903	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019373	A7B13C24	26.303	100	110	22.909	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016836	A25B4C20	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003752	A43B8C1	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013594	A42B10C15	110	100	110	110	110
CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1	MC-0000009850	A28B10C10	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017708	A35B12C21	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000003930	A10B10C2	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016862	A26B14C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009227	A33B11C9	110	100	83.17	38.905	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008187	A12B11C8	95.499	100	77.32	37.154	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1	MC-0000012574	A22B14C14	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010023	A39B7C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015360	A20B16C18	110	100	110	48.978	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000009864	A29B8C10	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1C=O	MC-0000011444	A40B4C12	110	100	110	110	110
CO.CSCCC=O.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008252	A16B12C8	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008227	A15B3C8	110	100	110	58.884	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005400	A14B8C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011735	A14B7C13	110	100	110	110	110
O.CO.CSCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017406	A16B14C21	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019764	A32B4C24	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008261	A17B5C8	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014676	A22B4C17	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=CC1CCCCC1	MC-0000004807	A21B7C3	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011195	A24B11C12	110	100	110	33.884	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12	MC-0000017886	A2B14C22	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003895	A8B7C2	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013087	A10B15C15	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000018696	A9B8C23	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccn1	MC-0000006393	A32B9C5	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.Clc1ccc(C=O)cc1	MC-0000004540	A4B12C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013520	A37B16C15	110	100	110	52.481	110
CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1	MC-0000012668	A28B12C14	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008216	A14B8C8	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009182	A30B14C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003417	A22B9C1	110	100	110	79.433	110
CO.NCc1ccncc1.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003562	A31B10C1	110	100	110	110	110
O.CO.CC(=O)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003726	A41B14C1	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007931	A40B11C7	110	100	110	26.915	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1ncc[nH]1	MC-0000019036	A30B12C23	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007365	A5B5C7	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019346	A6B2C24	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013073	A10B1C15	91.201	100	110	56.234	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015565	A33B13C18	26.303	81.8	110	25.119	110
CO.Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013764	A9B4C16	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015542	A32B6C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013554	A40B2C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015351	A20B7C18	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000018375	A33B7C22	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000018759	A13B7C23	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000003958	A12B6C2	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000009781	A24B5C10	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000003976	A13B8C2	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007367	A5B7C7	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013659	A2B11C16	110	100	110	29.512	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1	MC-0000018202	A22B10C22	110	100	110	110	110
O.CO.CC(=O)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005838	A41B14C4	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[N+]#[C-].NCc1ccncc1	MC-0000010794	A43B10C11	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016322	A37B2C19	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007431	A9B7C7	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O	MC-0000012808	A37B8C14	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016976	A33B16C20	110	100	110	53.703	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017037	A37B13C20	28.84	100	35.47	10.965	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013849	A14B9C16	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016465	A2B1C20	110	100	110	91.201	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000018566	A1B6C23	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1	MC-0000004876	A25B12C3	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1	MC-0000018206	A22B14C22	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O	MC-0000010536	A27B8C11	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014883	A35B3C17	110	100	110	60.256	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.OCC=O	MC-0000006474	A37B10C5	110	100	110	110	110
CO.CSCCC=O.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016692	A16B4C20	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008804	A7B4C9	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008973	A17B13C9	110	100	110	32.359	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005841	A42B1C4	110	100	110	35.481	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013960	A21B8C16	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008982	A18B6C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015369	A21B9C18	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014287	A41B15C16	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019708	A28B12C24	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016725	A18B5C20	110	100	110	110	110
CO.CCCCCC=O.CCCC[N+]#[C-].NCc1ccncc1	MC-0000012234	A1B10C14	110	100	110	110	110
CO.C[N+]#[C-].CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010768	A41B16C11	110	100	110	42.658	110
CO.NCc1ccncc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016170	A27B10C19	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014024	A25B8C16	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000005971	A6B3C5	110	100	110	74.131	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018065	A14B1C22	95.499	100	110	53.703	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012630	A26B6C14	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000006076	A12B12C5	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017842	A44B2C21	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013713	A6B1C16	110	100	110	42.658	110
CO.Nc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009191	A31B7C9	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015568	A33B16C18	110	100	110	79.433	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000011811	A19B3C13	110	100	110	48.978	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009101	A25B13C9	110	100	110	29.512	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016113	A24B1C19	67.608	100	110	25.704	110
CO.Nc1cccc(N)c1.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016231	A31B7C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008670	A42B14C8	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1	MC-0000006904	A20B8C6	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011428	A39B4C12	110	100	110	110	110
CO.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013046	A8B6C15	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000006656	A4B16C6	110	100	110	91.201	110
CO.NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017292	A9B12C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017755	A38B11C21	110	100	26.83	43.652	110
CO.Nc1ccncc1.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019748	A31B4C24	110	100	110	110	110
CO.Nc1ccccc1.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017455	A19B15C21	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O	MC-0000018977	A27B1C23	110	100	110	33.113	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000012369	A10B1C14	110	100	110	57.544	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000007113	A33B9C6	110	100	110	110	110
CO.Nc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013222	A19B6C15	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccco1	MC-0000010206	A6B14C11	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000018143	A18B15C22	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009369	A42B9C9	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O	MC-0000007224	A40B8C6	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008075	A5B11C8	110	100	59.68	33.884	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005309	A8B13C4	42.658	100	110	38.019	110
CO.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005807	A39B15C4	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014078	A28B14C16	110	100	110	110	110
O.CO.CC(C)CC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017230	A5B14C21	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000006907	A20B11C6	51.286	99.9	98.11	41.687	110
CO.Nc1cccnc1.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014918	A37B6C17	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1	MC-0000009643	A15B11C10	110	100	110	67.608	110
Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000017129	A43B9C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007400	A7B8C7	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014880	A34B16C17	110	94.3	58.78	44.668	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014008	A24B8C16	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014928	A37B16C17	110	100	110	31.623	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008484	A31B4C8	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017820	A42B12C21	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000018948	A25B4C23	110	100	110	110	110
CO.CCCCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008706	A1B2C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017321	A11B9C21	110	100	62.02	77.625	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015779	A3B3C19	79.433	100	110	29.512	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013552	A39B16C15	110	100	110	66.069	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016606	A10B14C20	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015739	A44B11C18	63.096	93.5	11.62	10.715	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008160	A10B16C8	110	100	110	53.703	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008218	A14B10C8	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=CC=Cc1ccccc1	MC-0000018170	A20B10C22	110	100	110	110	110
CO.Nc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003492	A27B4C1	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007321	A2B9C7	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008289	A19B1C8	110	100	110	45.709	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000018932	A24B4C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018710	A10B6C23	110	100	110	110	110
CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1	MC-0000009687	A18B7C10	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009384	A43B8C9	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1	MC-0000004524	A3B12C3	110	100	110	110	110
CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000010822	A1B6C12	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000011179	A23B11C12	100	100	46	21.878	110
CO.Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015927	A12B7C19	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016240	A31B16C19	110	70.2	110	18.197	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017483	A21B11C21	110	100	55.36	46.774	110
CO.CC(C)CC=O.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016518	A5B6C20	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017971	A8B3C22	110	100	110	54.954	110
O.CO.CCCC[N+]#[C-].Nc1cccc(N)c1.C=O	MC-0000012919	A44B7C14	110	100	110	110	110
CO.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007413	A8B5C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.Clc1ccc(C=O)cc1	MC-0000011572	A4B4C13	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015400	A23B8C18	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018930	A24B2C23	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000018567	A1B7C23	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009197	A31B13C9	43.652	100	110	28.84	110
CO.NCc1cccnc1.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013276	A22B12C15	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018976	A26B16C23	110	100	110	52.481	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1	MC-0000004072	A19B8C2	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007631	A21B15C7	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012966	A3B6C15	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014217	A37B9C16	110	100	110	60.256	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016857	A26B9C20	110	100	110	74.131	110
Cl.CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011017	A13B9C12	110	100	110	83.176	110
CO.Nc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008935	A15B7C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015701	A42B5C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017304	A10B8C21	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1	MC-0000012722	A32B2C14	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014931	A38B3C17	110	100	110	44.668	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccco1	MC-0000018651	A6B11C23	110	100	38.89	35.481	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000007249	A42B1C6	110	100	110	51.286	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013079	A10B7C15	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009820	A26B12C10	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015306	A17B10C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005310	A8B14C4	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008922	A14B10C9	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000019084	A33B12C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1	MC-0000018199	A22B7C22	110	100	110	110	110
CO.Nc1ccncc1.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008292	A19B4C8	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015151	A7B15C18	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010494	A24B14C11	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.OCc1ccc(C=O)o1	MC-0000012524	A19B12C14	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013150	A14B14C15	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015942	A13B6C19	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].Nc1ccncc1	MC-0000010388	A18B4C11	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1	MC-0000018204	A22B12C22	110	100	110	110	110
CO.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015810	A5B2C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1cccs1	MC-0000018415	A35B15C22	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000012399	A11B15C14	110	100	110	110	110
O.Cl.CO.NCc1cccc(N)c1.C=O.[C-]#[N+]C1CCCCC1	MC-0000005881	A44B9C4	110	100	110	56.234	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015563	A33B11C18	77.625	100	99.91	36.308	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004744	A17B8C3	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000018983	A27B7C23	110	100	110	110	110
O.CO.CCCCCC=O.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008014	A1B14C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013806	A11B14C16	110	100	94.15	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007331	A3B3C7	110	100	110	67.608	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019171	A39B3C23	110	100	110	35.481	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1C=O	MC-0000018484	A40B4C22	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000018575	A1B15C23	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011742	A14B14C13	110	100	110	110	110
CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1	MC-0000012764	A34B12C14	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.NCc1cccc(N)c1	MC-0000004425	A41B9C2	110	100	110	14.454	110
CO.Nc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016470	A2B6C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003230	A10B14C1	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009329	A40B1C9	35.481	100	110	20.417	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008832	A8B16C9	110	100	110	50.119	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005266	A6B2C4	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1ccccc1	MC-0000006879	A18B15C6	110	100	110	110	110
CO.NCc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017674	A33B10C21	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=CCCc1ccccc1	MC-0000010348	A15B12C11	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1	MC-0000012566	A22B6C14	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017588	A28B4C21	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014520	A12B8C17	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006099	A14B3C5	110	100	110	52.481	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009053	A22B13C9	110	100	110	32.359	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009363	A42B3C9	110	100	110	48.978	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015488	A28B16C18	110	100	110	60.256	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015577	A34B9C18	110	100	110	57.544	110
CO.Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016159	A26B15C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014974	A40B14C17	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=CCCc1ccccc1	MC-0000012454	A15B6C14	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003474	A26B2C1	110	100	110	110	110
CO.Nc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013446	A33B6C15	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000011686	A11B6C13	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016780	A21B12C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007602	A20B2C7	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018007	A10B7C22	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.Clc1ccc(C=O)cc1	MC-0000009466	A4B10C10	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1cccs1	MC-0000005038	A35B14C3	110	100	110	110	110
O.CO.CSCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007550	A16B14C7	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000009437	A2B13C10	33.884	100	110	17.378	110
CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000011087	A17B15C12	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017768	A39B8C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017666	A33B2C21	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003180	A7B12C1	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.Nc1ccncc1	MC-0000012596	A24B4C14	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000018101	A16B5C22	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007784	A31B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000015000	A42B8C17	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000018127	A17B15C22	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1	MC-0000009673	A17B9C10	110	100	110	79.433	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015469	A27B13C18	93.325	100	96.67	28.84	110
O.CO.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015662	A39B14C18	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.C=O	MC-0000018549	A44B5C22	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013463	A34B7C15	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007396	A7B4C7	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000004299	A33B11C2	110	100	74.62	35.481	110
CO.Nc1cccnc1.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016086	A22B6C19	110	100	110	110	110
CO.C[N+]#[C-].CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O	MC-0000010754	A41B2C11	110	100	110	110	110
O.CO.CSCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000008958	A16B14C9	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=CC1CCCCC1	MC-0000018180	A21B4C22	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013532	A38B12C15	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccs1	MC-0000010670	A35B14C11	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016104	A23B8C19	110	100	110	110	110
O.CO.CSCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013182	A16B14C15	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015309	A17B13C18	46.774	100	110	30.903	110
CO.Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016863	A26B15C20	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017609	A29B9C21	110	100	110	28.84	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015394	A23B2C18	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N	MC-0000012899	A43B3C14	110	100	110	51.286	110
CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011186	A24B2C12	110	100	110	110	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000009648	A15B16C10	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019871	A38B15C24	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006741	A10B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1	MC-0000007125	A34B5C6	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016298	A35B10C19	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000004440	A42B8C2	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014002	A24B2C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019317	A4B5C24	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000019008	A28B16C23	110	100	110	51.286	110
CO.Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013847	A14B7C16	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC=O	MC-0000018434	A37B2C22	110	100	110	110	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003728	A41B16C1	110	100	22.33	4.571	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000003829	A4B5C2	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=CC=Cc1ccccc1	MC-0000018172	A20B12C22	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1ccncc1	MC-0000006852	A17B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=CC=Cc1ccccc1	MC-0000006900	A20B4C6	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016226	A31B2C19	110	100	110	110	110
O.CO.CC(C)CC=O.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019342	A5B14C24	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010493	A24B13C11	110	100	110	33.884	110
O.Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.C=O	MC-0000007291	A44B11C6	66.069	99.9	19.09	6.457	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000018155	A19B11C22	100	100	62.65	69.183	110
CO.COc1cc(OC)cc(C=O)c1.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016012	A17B12C19	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=CC=Cc1ccccc1	MC-0000012538	A20B10C14	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005639	A29B7C4	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006339	A29B3C5	110	100	110	54.954	110
CO.CCCC[N+]#[C-].CC(C)CC=O.Nc1ccncc1	MC-0000012292	A5B4C14	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005714	A34B2C4	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015635	A38B3C18	110	100	110	50.119	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011426	A39B2C12	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000009616	A13B16C10	110	100	110	54.954	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CCCCC1	MC-0000012558	A21B14C14	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015687	A41B7C18	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003334	A17B6C1	110	100	110	110	110
CO.Nc1ccncc1.OCC=O.C=CC[N+]#[C-]	MC-0000008580	A37B4C8	110	100	110	110	110
CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.NCc1ccncc1	MC-0000012426	A13B10C14	44.668	100	88.84	36.308	110
CO.Nc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015060	A2B4C18	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010726	A39B6C11	110	100	110	110	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000010416	A19B16C11	110	100	110	60.256	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006258	A24B2C5	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000004407	A40B7C2	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010384	A17B16C11	110	100	110	60.256	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000012645	A27B5C14	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000019003	A28B11C23	110	100	56.89	22.387	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014534	A13B6C17	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014379	A3B11C17	110	100	110	33.884	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000018376	A33B8C22	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005446	A17B6C4	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017186	A3B2C21	110	100	110	110	110
CO.CCCCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007298	A1B2C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019861	A38B5C24	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1	MC-0000011170	A23B2C12	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014553	A14B9C17	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1	MC-0000004942	A29B14C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017776	A39B16C21	110	100	110	79.433	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019540	A18B4C24	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010724	A39B4C11	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013964	A21B12C16	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008435	A28B3C8	110	100	110	48.978	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008321	A21B1C8	110	100	110	45.709	110
CO.Nc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016740	A19B4C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017311	A10B15C21	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=CCCc1ccccc1	MC-0000009639	A15B7C10	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=CC1CC1	MC-0000010716	A38B12C11	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017504	A22B16C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013536	A38B16C15	110	100	110	75.858	110
CO.Nc1ccncc1.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019844	A37B4C24	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=CCc1ccccc1	MC-0000012012	A31B12C13	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000011544	A2B8C13	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017220	A5B4C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013760	A8B16C16	110	100	110	44.668	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011561	A3B9C13	110	100	110	58.884	110
O.CO.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008622	A39B14C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016344	A38B8C19	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=CCCc1ccccc1	MC-0000011049	A15B9C12	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011957	A28B5C13	110	100	110	110	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016209	A30B1C19	34.674	100	110	19.055	110
CO.NCc1ccncc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015370	A21B10C18	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015074	A3B2C18	110	100	110	110	110
O.CO.CCCCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015054	A1B14C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013854	A14B14C16	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014471	A9B7C17	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014121	A31B9C16	110	100	110	110	110
CO.CSCCC=O.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015999	A16B15C19	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007964	A42B12C7	110	100	110	110	110
CO.CSCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008946	A16B2C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019351	A6B7C24	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012993	A5B1C15	110	100	110	56.234	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013403	A30B11C15	110	100	57.79	35.481	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008168	A11B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007656	A23B8C7	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015938	A13B2C19	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.NC(=O)c1ccc(N)nc1	MC-0000004430	A41B14C2	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000005937	A4B1C5	110	100	110	41.687	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015392	A22B16C18	110	100	110	56.234	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000004096	A20B16C2	110	48.9	110	5.754	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012965	A3B5C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017317	A11B5C21	110	100	110	110	110
O.Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1	MC-0000004241	A30B1C2	4.786	100	110	2.754	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.C=O	MC-0000019253	A44B5C23	110	100	110	61.66	110
CO.Nc1ccccc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015375	A21B15C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013266	A22B2C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005687	A32B7C4	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O	MC-0000019086	A33B14C23	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCc1ccccc1	MC-0000004257	A31B1C2	19.953	100	110	12.882	110
CO.Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014999	A42B7C17	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014596	A17B4C17	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017700	A35B4C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013166	A15B14C15	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N	MC-0000012483	A17B3C14	110	100	110	46.774	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=CC=Cc1ccccc1	MC-0000018868	A20B4C23	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N	MC-0000005153	A43B1C3	97.724	100	110	51.286	110
O.CO.Nc1ccccc1.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005663	A30B15C4	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009372	A42B12C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007480	A12B8C7	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014410	A5B10C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.OCC(O)C(O)CC=O	MC-0000011948	A27B12C13	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000011139	A21B3C12	110	100	110	63.096	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1	MC-0000003826	A4B2C2	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013362	A28B2C15	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].CC(=O)C=O.NC(=N)c1ccc(N)cc1	MC-0000010763	A41B11C11	79.433	100	37.27	28.84	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015920	A11B16C19	110	79.9	110	43.652	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014861	A33B13C17	12.303	57	110	27.542	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019576	A20B8C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019358	A6B14C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015678	A40B14C18	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013596	A42B12C15	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000011395	A37B3C12	110	100	50.95	25.704	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000004771	A19B3C3	110	100	110	53.703	110
CO.Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017567	A26B15C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1ccccn1	MC-0000019062	A32B6C23	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003137	A5B1C1	110	100	110	56.234	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1	MC-0000006980	A25B4C6	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018713	A10B9C23	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000009808	A25B16C10	110	100	110	72.444	110
CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1	MC-0000004492	A1B12C3	110	100	110	110	110
O.CO.C[N+]#[C-].NCc1cccnc1.C=O	MC-0000010812	A44B12C11	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O	MC-0000019185	A40B1C23	17.378	100	110	18.621	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019535	A17B15C24	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000004992	A32B16C3	110	100	110	100	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000017920	A4B16C22	110	100	110	77.625	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010027	A39B11C10	110	100	110	45.709	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000019191	A40B7C23	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000007006	A26B14C6	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011955	A28B3C13	110	100	110	58.884	110
Cl.CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.NCc1cccc(N)c1	MC-0000012601	A24B9C14	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015880	A9B8C19	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccs1	MC-0000018414	A35B14C22	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004607	A8B15C3	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011961	A28B9C13	110	100	110	75.858	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000011131	A20B11C12	40.738	100	42.4	32.359	110
O.CO.Nc1ccccc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007775	A30B15C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015881	A9B9C19	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1	MC-0000006894	A19B14C6	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004032	A16B16C2	110	100	110	34.674	110
CO.Nc1cccnc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015974	A15B6C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013592	A42B8C15	110	100	110	110	110
CO.NCc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013452	A33B12C15	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018262	A26B6C22	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010735	A39B15C11	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015467	A27B11C18	100	100	48.88	29.512	110
CO.CC(C)CC=O.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015823	A5B15C19	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015127	A6B7C18	110	100	110	110	110
CO.NCc1cccnc1.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003564	A31B12C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014754	A27B2C17	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018773	A14B5C23	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006043	A10B11C5	43.652	100	110	30.2	110
CO.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014626	A19B2C17	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016720	A17B16C20	110	100	110	63.096	110
CO.CC(=O)C=O.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000017103	A41B15C20	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008086	A6B6C8	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014405	A5B5C17	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004885	A26B5C3	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.OCc1ccc(C=O)o1	MC-0000018150	A19B6C22	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000012237	A1B13C14	24.547	100	110	21.38	110
O.CO.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012974	A3B14C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007778	A31B2C7	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1	MC-0000003815	A3B7C2	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016136	A25B8C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009225	A33B9C9	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000006791	A13B7C6	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006787	A13B3C6	110	100	110	110	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000012170	A41B10C13	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000010833	A2B1C12	110	100	110	42.658	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1	MC-0000011608	A6B8C13	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018477	A39B13C22	18.621	61.3	74.62	26.915	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015082	A3B10C18	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccco1	MC-0000006673	A6B1C6	110	100	110	54.954	110
CO.NCc1ccncc1.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003578	A32B10C1	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000012647	A27B7C14	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016377	A40B9C19	110	100	110	38.019	110
CO.CCCCCC=O.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015055	A1B15C18	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013011	A6B3C15	110	100	110	37.154	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005360	A11B16C4	110	89.5	92.53	54.954	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019502	A15B14C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009037	A21B13C9	63.096	100	110	42.658	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000018048	A12B16C22	110	100	110	40.738	110
CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.Nc1ccccc1	MC-0000012607	A24B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012438	A14B6C14	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1	MC-0000004526	A3B14C3	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1C=O	MC-0000018495	A40B15C22	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1c[nH]c2ccccc12	MC-0000009439	A2B15C10	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccn1	MC-0000007095	A32B7C6	110	100	110	110	110
Cl.CO.CSCCC=O.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008953	A16B9C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015197	A10B13C18	38.905	100	110	40.738	110
CO.Nc1ccccc1.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017503	A22B15C21	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005713	A34B1C4	110	100	110	14.454	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=CC1CCCCC1	MC-0000009732	A21B4C10	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015312	A17B16C18	110	100	110	61.66	110
O.Cl.CO.NCc1cccc(N)c1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016217	A30B9C19	110	100	110	10.965	110
CO.CCCCCC=O.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017162	A1B10C21	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018227	A24B3C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccn1	MC-0000018353	A32B1C22	110	100	110	33.884	110
CO.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007349	A4B5C7	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017759	A38B15C21	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000006408	A33B8C5	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000010039	A40B7C10	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000018596	A3B4C23	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008375	A24B7C8	110	100	110	110	110
O.CO.CC(C)CC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007374	A5B14C7	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013301	A24B5C15	110	100	110	110	110
CO.NCc1cccnc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016172	A27B12C19	110	100	110	110	110
CO.Nc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013926	A19B6C16	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000012377	A10B9C14	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000011210	A25B10C12	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=CC1CCCCC1	MC-0000004804	A21B4C3	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.OCC(O)C(O)CC=O	MC-0000007012	A27B4C6	110	100	110	110	110
O.CO.Nc1ccncc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019732	A30B4C24	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000018707	A10B3C23	110	100	110	43.652	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017281	A9B1C21	54.954	100	110	47.863	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007337	A3B9C7	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.Clc1nc2ccccc2cc1C=O	MC-0000011343	A33B15C12	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccs1	MC-0000010663	A35B7C11	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015825	A6B1C19	35.481	100	110	19.055	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016301	A35B13C19	21.878	100	68.32	26.303	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1	MC-0000012312	A6B8C14	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016388	A41B4C19	110	100	110	110	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014873	A34B9C17	110	100	110	33.113	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017190	A3B6C21	110	100	110	110	110
CO.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015167	A8B15C18	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005656	A30B8C4	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019909	A41B5C24	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000006092	A13B12C5	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000012177	A42B1C13	110	100	110	67.608	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016895	A28B15C20	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014919	A37B7C17	110	100	110	110	110
CO.CCCCCC=O.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000009410	A1B2C10	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000018252	A25B12C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000018327	A30B7C22	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013202	A18B2C15	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007692	A25B12C7	110	100	110	110	110
O.CO.CC(=O)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013582	A41B14C15	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003528	A29B8C1	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000019217	A42B1C23	110	100	110	33.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003200	A8B16C1	110	100	110	74.131	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007389	A6B13C7	54.954	100	99.91	26.303	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000010857	A3B9C12	110	100	110	110	110
CO.NCc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007818	A33B10C7	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010305	A13B1C11	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011265	A29B1C12	110	100	110	52.481	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016129	A25B1C19	48.978	100	110	25.119	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015175	A9B7C18	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000005991	A7B7C5	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019421	A10B13C24	61.66	100	110	58.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019696	A27B16C24	110	100	110	27.542	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003389	A20B13C1	46.774	100	110	21.878	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000018533	A43B5C22	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000012273	A4B1C14	110	100	110	47.863	110
CO.Nc1ccccc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015343	A19B15C18	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000018706	A10B2C23	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014211	A37B3C16	110	100	76.6	38.019	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007601	A20B1C7	38.905	100	110	14.791	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010736	A39B16C11	110	100	110	51.286	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000004998	A33B6C3	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=CCc1ccccc1	MC-0000019044	A31B4C23	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007320	A2B8C7	110	100	110	110	110
CO.Nc1ccccc1.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013423	A31B15C15	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015129	A6B9C18	110	100	110	23.988	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017856	A44B16C21	110	100	110	7.244	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000018388	A34B4C22	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003712	A40B16C1	70.795	100	110	26.915	110
CO.CSCCC=O.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016694	A16B6C20	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000018821	A17B5C23	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1	MC-0000012590	A23B14C14	110	100	110	110	110
CO.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019876	A39B4C24	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013571	A41B3C15	110	100	110	42.658	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008220	A14B12C8	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N	MC-0000009681	A18B1C10	110	100	110	53.703	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004691	A14B3C3	110	31.4	110	33.884	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000012362	A9B10C14	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008460	A29B12C8	110	100	110	110	110
CO.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017268	A8B4C21	110	100	110	110	110
CO.CC(=O)C=O.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009356	A41B12C9	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019552	A18B16C24	110	100	110	30.2	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccn1	MC-0000007097	A32B9C6	110	100	110	21.38	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005267	A6B3C4	110	100	110	29.512	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014478	A9B14C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017701	A35B5C21	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006530	A41B2C5	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000019023	A29B15C23	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000017889	A3B1C22	110	100	110	51.286	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000011701	A12B5C13	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017219	A5B3C21	110	100	110	52.481	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018257	A26B1C22	61.66	100	110	35.481	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014679	A22B7C17	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015439	A25B15C18	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000004537	A4B9C3	110	100	110	60.256	110
CO.Nc1cccc(N)c1.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008055	A4B7C8	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014239	A38B15C16	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000003907	A9B3C2	110	100	110	33.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000010976	A10B16C12	110	100	110	58.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000010912	A6B16C12	110	100	110	81.283	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.NCc1cccc(c1)C(=N)N	MC-0000004017	A16B1C2	16.218	100	110	9.55	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000011840	A20B16C13	110	100	110	42.658	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016973	A33B13C20	48.978	100	110	32.359	110
CO.CC(=O)C=O.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009354	A41B10C9	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000018828	A17B12C23	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000004435	A42B3C2	66.069	81.8	110	0.562	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015256	A14B8C18	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000011530	A1B10C13	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009074	A24B2C9	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1	MC-0000011858	A22B2C13	110	100	110	110	110
CO.Nc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017206	A4B6C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011565	A3B13C13	58.884	100	110	30.903	110
Cl.CO.CSCCC=O.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013881	A16B9C16	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=CCc1ccccc1	MC-0000018346	A31B10C22	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004192	A26B16C2	110	60.5	71.47	7.586	110
CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.Nc1ccccc1	MC-0000012431	A13B15C14	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000011908	A25B4C13	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017594	A28B10C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015625	A37B9C18	110	100	110	28.184	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009242	A34B10C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007704	A26B8C7	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003083	A1B11C1	44.668	32.5	66.7	15.136	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011913	A25B9C13	110	100	110	45.709	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015181	A9B13C18	21.878	84.9	110	28.84	110
CO.CCCC[N+]#[C-].NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012346	A8B10C14	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1	MC-0000010472	A23B8C11	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006963	A24B3C6	110	100	110	45.709	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015236	A13B4C18	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013267	A22B3C15	110	100	110	40.738	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006801	A14B1C6	110	100	110	51.286	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016177	A28B1C19	91.201	100	110	39.811	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014469	A9B5C17	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CC1	MC-0000004382	A38B14C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017824	A42B16C21	110	100	110	58.884	110
CO.NCc1ccncc1.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013418	A31B10C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019429	A11B5C24	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012637	A26B13C14	19.055	100	110	22.387	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=CCc1ccccc1	MC-0000018345	A31B9C22	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005812	A40B4C4	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009145	A28B9C9	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016417	A43B1C19	20.893	100	99.91	12.303	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018129	A18B1C22	110	100	110	36.308	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007481	A12B9C7	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=CCCc1ccccc1	MC-0000011044	A15B4C12	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006289	A26B1C5	110	100	110	46.774	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000012525	A19B13C14	38.019	100	76.06	25.119	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008020	A2B4C8	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccco1	MC-0000012319	A6B15C14	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006717	A8B13C6	110	100	110	23.442	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016402	A42B2C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=CCCc1ccccc1	MC-0000018085	A15B5C22	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009048	A22B8C9	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000011900	A24B12C13	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016078	A21B14C19	110	100	110	110	110
CO.CCCCCC=O.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008716	A1B12C9	110	100	110	110	110
CO.NCc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017676	A33B12C21	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016120	A24B8C19	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007482	A12B10C7	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007715	A27B3C7	110	100	110	31.623	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000017878	A2B6C22	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013989	A23B5C16	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015846	A7B6C19	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014605	A17B13C17	46.774	100	110	30.2	110
O.CO.Nc1cccnc1.C=O.C=CC[N+]#[C-]	MC-0000008694	A44B6C8	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000011524	A1B4C13	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008904	A13B8C9	110	100	110	110	110
CO.CCCCCC=O.C[N+]#[C-].Nc1ccccc1	MC-0000010127	A1B15C11	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.OCC(O)C(O)CC=O	MC-0000011236	A27B4C12	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000004501	A2B5C3	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003289	A14B9C1	110	100	110	60.256	110
CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000011348	A34B4C12	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005357	A11B13C4	56.234	61.2	110	42.658	110
CO.Nc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003366	A19B6C1	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1	MC-0000009890	A31B2C10	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016889	A28B9C20	110	100	110	77.625	110
O.CO.Nc1ccncc1.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009396	A44B4C9	110	100	110	110	110
CO.Nc1ccccc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003599	A33B15C1	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017597	A28B13C21	110	100	110	38.905	110
CO.Nc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007591	A19B7C7	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006022	A9B6C5	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017763	A39B3C21	110	100	110	56.234	110
Cl.CO.NCc1cccc(N)c1.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019593	A21B9C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008926	A14B14C9	110	100	110	110	110
CO.Nc1ccccc1.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016879	A27B15C20	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1	MC-0000006958	A23B14C6	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019405	A9B13C24	26.303	64.5	110	22.909	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016125	A24B13C19	110	100	110	30.903	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016299	A35B11C19	100	100	59.14	32.359	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008163	A11B3C8	110	100	110	54.954	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009160	A29B8C9	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008630	A40B6C8	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000018690	A9B2C23	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000015022	A43B14C17	110	100	110	110	110
CO.Nc1ccccc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005711	A33B15C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003206	A9B6C1	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008326	A21B6C8	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc[nH]1	MC-0000018214	A23B6C22	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000012149	A40B5C13	110	100	110	110	110
CO.CSCCC=O.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015287	A16B7C18	110	100	110	110	110
CO.Nc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000008999	A19B7C9	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008748	A3B12C9	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017525	A24B5C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013957	A21B5C16	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000010993	A12B1C12	110	100	110	38.905	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014064	A27B16C16	110	100	110	36.308	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000004614	A9B6C3	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017356	A13B12C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018603	A3B11C23	110	100	110	40.738	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000012528	A19B16C14	110	100	110	42.658	110
CO.CC(C)CC=O.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019332	A5B4C24	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=CC1CC1	MC-0000019156	A38B4C23	110	100	110	110	110
O.CO.C[N+]#[C-].Nc1cccnc1.C=O	MC-0000010806	A44B6C11	110	100	110	110	110
CO.Nc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013223	A19B7C15	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016300	A35B12C19	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013719	A6B7C16	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CC1	MC-0000012830	A38B14C14	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013043	A8B3C15	110	100	110	46.774	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019419	A10B11C24	110	100	82.81	42.658	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014763	A27B11C17	110	100	47.08	38.905	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003387	A20B11C1	75.858	100	97.03	38.019	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.OCC(O)C(O)CC=O	MC-0000011244	A27B12C12	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000012244	A2B4C14	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015500	A29B12C18	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015959	A14B7C19	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000018951	A25B7C23	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000004620	A9B12C3	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=CC1CC1	MC-0000008593	A38B1C8	110	100	110	52.481	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008353	A23B1C8	110	100	110	42.658	110
CO.CC(=O)C=O.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003718	A41B6C1	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013189	A17B5C15	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008034	A3B2C8	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014730	A25B10C17	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011891	A24B3C13	110	100	110	45.709	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1	MC-0000004926	A28B14C3	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019182	A39B14C23	110	100	110	110	110
CO.CCCCCC=O.COC(=O)C[N+]#[C-].Nc1ccccc1	MC-0000006607	A1B15C6	110	100	110	110	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000011689	A11B9C13	110	100	110	67.608	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019790	A33B14C24	110	100	110	110	110
CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.NCc1cccnc1	MC-0000012428	A13B12C14	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007633	A22B1C7	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1	MC-0000006982	A25B6C6	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015095	A4B7C18	110	100	110	110	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008490	A31B10C8	110	100	110	110	110
CO.CSCCC=O.C[N+]#[C-].Nc1ccccc1	MC-0000010367	A16B15C11	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015921	A12B1C19	25.119	100	110	12.589	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013064	A9B8C15	110	100	110	110	110
CO.COCC[N+]#[C-].CSCCC=O.NCc1ccc(N)cc1	MC-0000009653	A16B5C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000018160	A19B16C22	110	100	110	42.658	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008155	A10B11C8	77.625	100	110	51.286	110
CO.C[N+]#[C-].NCc1ccncc1.O=CC1CCCCC1	MC-0000010442	A21B10C11	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017848	A44B8C21	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000010219	A7B11C11	110	100	85.33	28.84	110
CO.Nc1ccccc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007807	A32B15C7	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016691	A16B3C20	110	100	110	47.863	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019808	A34B16C24	110	75.2	110	25.119	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012345	A8B9C14	110	100	110	67.608	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019712	A28B16C24	110	100	110	38.019	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000012885	A42B5C14	110	100	110	110	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014803	A30B3C17	110	100	110	37.154	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.OCC(O)C(O)CC=O	MC-0000018282	A27B10C22	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012984	A4B8C15	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007539	A16B3C7	110	100	110	48.978	110
CO.NCc1ccc(N)cc1.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019749	A31B5C24	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000011279	A29B15C12	110	100	110	110	110
Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000006153	A17B9C5	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017835	A43B11C21	110	100	23.86	38.905	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014398	A4B14C17	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.OCc1ccc(C=O)o1	MC-0000006182	A19B6C5	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013512	A37B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008632	A40B8C8	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1	MC-0000010651	A34B11C11	42.658	100	39.07	14.454	110
Cl.CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000010889	A5B9C12	110	100	110	110	110
CO.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000017090	A41B2C20	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007523	A15B3C7	110	100	110	77.625	110
O.CO.CCCCCC=O.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010824	A1B8C12	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1	MC-0000004874	A25B10C3	110	100	110	110	110
CO.NCc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007532	A15B12C7	110	100	110	110	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000012185	A42B9C13	110	100	110	61.66	110
CO.Nc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014564	A15B4C17	110	100	110	110	110
Cl.CO.CSCCC=O.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003321	A16B9C1	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015741	A44B13C18	34.674	63.7	34.84	24.547	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007729	A28B1C7	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.OCC=O	MC-0000010703	A37B15C11	110	100	110	110	110
Cl.CO.CCCCCC=O.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014345	A1B9C17	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008191	A12B15C8	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016372	A40B4C19	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009046	A22B6C9	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012627	A26B3C14	110	100	110	38.019	110
CO.CCCCCC=O.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012934	A1B6C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005511	A21B7C4	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000018871	A20B7C23	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005845	A42B5C4	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005689	A32B9C4	110	100	110	53.703	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017792	A40B16C21	75.858	100	110	23.988	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000005993	A7B9C5	110	100	110	74.131	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=CC1CC1	MC-0000018457	A38B9C22	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003187	A8B3C1	110	100	110	51.286	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000012204	A43B12C13	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012616	A25B8C14	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000006653	A4B13C6	91.201	100	110	26.915	110
CO.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009221	A33B5C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013966	A21B14C16	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015428	A25B4C18	110	100	110	110	110
O.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.C=O	MC-0000006585	A44B9C5	110	100	110	63.096	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000006074	A12B10C5	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016905	A29B9C20	110	100	110	79.433	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015035	A44B11C17	74.131	43.4	16.03	20.893	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007405	A7B13C7	63.096	22.8	110	37.154	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016336	A37B16C19	110	100	93.7	4.786	110
CO.NCc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009018	A20B10C9	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009258	A35B10C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019671	A26B7C24	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008871	A11B7C9	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013132	A13B12C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015896	A10B8C19	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1	MC-0000009447	A3B7C10	110	100	110	110	110
CO.NCc1ccncc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016058	A20B10C19	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018142	A18B14C22	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008129	A9B1C8	110	100	110	56.234	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000010072	A42B8C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000011184	A23B16C12	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009359	A41B15C9	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017313	A11B1C21	110	100	72.28	51.286	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013091	A11B3C15	110	100	69.85	56.234	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016699	A16B11C20	110	100	99.91	47.863	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1C=O	MC-0000007220	A40B4C6	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013190	A17B6C15	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccs1	MC-0000019118	A35B14C23	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016432	A43B16C19	110	100	110	34.674	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014025	A25B9C16	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015549	A32B13C18	39.811	100	110	26.303	110
O.CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018942	A24B14C23	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013873	A16B1C16	75.858	100	110	81.283	110
CO.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014244	A39B4C16	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000018580	A2B4C23	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000017128	A43B8C20	110	100	110	110	110
CO.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015159	A8B7C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009282	A37B2C9	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000017122	A43B2C20	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016106	A23B10C19	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017553	A26B1C21	87.096	100	110	44.668	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014750	A26B14C17	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000009456	A3B16C10	110	100	110	46.774	110
CO.CCOC(=O)C=C(C)C=O.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014092	A29B12C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015198	A10B14C18	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CC(=O)C=O.NCc1cccc(c1)C(=N)N	MC-0000007233	A41B1C6	110	100	110	46.774	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009011	A20B3C9	110	100	110	30.2	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=CC1CCCCC1	MC-0000011852	A21B12C13	110	100	110	110	110
O.Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.C=O	MC-0000010809	A44B9C11	110	100	110	43.652	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1	MC-0000018914	A23B2C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000017911	A4B7C22	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccs1	MC-0000007141	A35B5C6	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000011941	A27B5C13	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019286	A2B6C24	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008196	A13B4C8	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000012253	A2B13C14	48.978	100	110	17.378	110
O.CO.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019534	A17B14C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003218	A10B2C1	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010571	A29B11C11	87.096	100	110	53.703	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008176	A11B16C8	110	100	110	44.668	110
O.CO.Nc1ccncc1.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015028	A44B4C17	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017845	A44B5C21	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000004646	A11B6C3	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018270	A26B14C22	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016182	A28B6C19	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc[nH]1	MC-0000006252	A23B12C5	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013357	A27B13C15	20.417	80.7	110	20.417	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1	MC-0000011870	A22B14C13	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014277	A41B5C16	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004064	A18B16C2	110	73.9	110	13.49	110
O.O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1	MC-0000004952	A30B8C3	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017536	A24B16C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018726	A11B6C23	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003483	A26B11C1	110	100	55.99	25.119	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019666	A26B2C24	110	100	110	110	110
CO.CCCCCC=O.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003078	A1B6C1	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016144	A25B16C19	85.114	83.8	110	34.674	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019403	A9B11C24	110	100	77.32	57.544	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013650	A2B2C16	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019289	A2B9C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009307	A38B11C9	110	100	110	57.544	110
CO.Nc1ccccc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014447	A7B15C17	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccco1	MC-0000010910	A6B14C12	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=CCCc1ccccc1	MC-0000006116	A15B4C5	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009080	A24B8C9	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017088	A40B16C20	110	100	110	52.481	110
O.CO.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005470	A18B14C4	110	100	110	110	110
CO.Nc1ccccc1.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009295	A37B15C9	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019779	A33B3C24	110	100	110	28.184	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017739	A37B11C21	110	100	35.56	46.774	110
Cl.Cl.CO.CSCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017395	A16B3C21	110	100	110	35.481	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011904	A24B16C13	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003271	A13B7C1	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016028	A18B12C19	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008081	A6B1C8	110	100	110	50.119	110
CO.COc1cccc(C=O)c1OC.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000017124	A43B4C20	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006541	A41B13C5	44.668	100	110	27.542	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000012589	A23B13C14	60.256	100	110	19.953	110
CO.NCc1cccnc1.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003580	A32B12C1	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018840	A18B8C23	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccn1	MC-0000011313	A32B1C12	110	100	110	43.652	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019541	A18B5C24	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccs1	MC-0000011371	A35B11C12	110	100	84.97	64.565	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010943	A8B15C12	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016613	A11B5C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000017005	A35B13C20	54.954	100	110	38.905	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=CC1CC1	MC-0000005076	A38B4C3	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015420	A24B12C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016609	A11B1C20	110	100	91.45	56.234	110
CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1cccnc1	MC-0000006870	A18B6C6	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000008910	A13B14C9	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.C=O	MC-0000018554	A44B10C22	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019688	A27B8C24	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014013	A24B13C16	56.234	100	110	47.863	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1	MC-0000010424	A20B8C11	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016774	A21B6C20	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1	MC-0000006991	A25B15C6	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007654	A23B6C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007936	A40B16C7	110	100	110	43.652	110
CO.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008613	A39B5C8	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014615	A18B7C17	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019339	A5B11C24	110	100	63.91	31.623	110
Cl.CO.CC(=O)C=O.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007945	A41B9C7	110	100	110	28.184	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000003795	A2B3C2	110	100	99.91	3.236	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003373	A19B13C1	91.201	100	110	24.547	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1ccccn1	MC-0000009910	A32B6C10	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000017932	A5B12C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.OCC(O)C(O)CC=O	MC-0000018284	A27B12C22	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017634	A31B2C21	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000018847	A18B15C23	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015296	A16B16C18	110	100	110	69.183	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1C=O	MC-0000011450	A40B10C12	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018994	A28B2C23	110	100	110	110	110
O.Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.C=O	MC-0000010107	A44B11C10	54.954	100	18.91	11.749	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016813	A23B13C20	63.096	100	110	21.878	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccco1	MC-0000018641	A6B1C23	110	100	110	38.905	110
CO.NCc1ccncc1.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013514	A37B10C15	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].CC(=O)C=O.NC(=O)c1ccc(N)nc1	MC-0000007246	A41B14C6	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007457	A11B1C7	110	100	110	69.183	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007575	A18B7C7	110	100	110	110	110
CO.CSCCC=O.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019514	A16B10C24	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000005117	A40B13C3	69.183	66.5	110	14.454	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1	MC-0000004311	A34B7C2	110	100	110	110	110
Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019945	A43B9C24	110	100	110	38.905	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017629	A30B13C21	89.125	100	110	34.674	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000018032	A11B16C22	110	61.1	63.55	48.978	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011536	A1B16C13	110	100	110	44.668	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000011672	A10B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014312	A43B8C16	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017854	A44B14C21	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003996	A14B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O	MC-0000003810	A3B2C2	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017333	A12B5C21	110	100	110	72.444	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011504	A43B16C12	110	100	110	81.283	110
CO.COc1cccc(C=O)c1OC.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005868	A43B12C4	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016873	A27B9C20	110	100	110	91.201	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015600	A35B16C18	110	100	110	69.183	110
CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1	MC-0000012613	A25B5C14	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=CC=Cc1ccccc1	MC-0000018879	A20B15C23	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015273	A15B9C18	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014406	A5B6C17	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000012322	A7B2C14	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016416	A42B16C19	50.119	27	110	33.884	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010980	A11B4C12	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006001	A8B1C5	110	100	110	51.286	110
CO.Nc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005604	A27B4C4	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015551	A32B15C18	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.OCC=O	MC-0000019145	A37B9C23	110	100	110	18.197	110
O.CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000012174	A41B14C13	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008386	A25B2C8	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018808	A16B8C23	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008866	A11B2C9	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=CC1CC1	MC-0000010010	A38B10C10	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017704	A35B8C21	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011031	A14B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010940	A8B12C12	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014263	A40B7C16	110	100	110	110	110
CO.C[N+]#[C-].CC(=O)C=O.NCc1ccncc1	MC-0000010762	A41B10C11	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccs1	MC-0000011373	A35B13C12	38.019	100	110	39.811	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019307	A3B11C24	110	100	52.93	32.359	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013728	A6B16C16	110	100	110	37.154	110
O.CO.CCCCCC=O.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019278	A1B14C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019365	A7B5C24	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=CCCc1ccccc1	MC-0000009642	A15B10C10	110	100	110	110	110
CO.NCc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017386	A15B10C21	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014774	A28B6C17	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016907	A29B11C20	110	100	52.12	40.738	110
CO.Nc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014356	A2B4C17	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000009515	A7B11C10	110	100	98.65	40.738	110
CO.Nc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003252	A12B4C1	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000011350	A34B6C12	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019174	A39B6C23	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000019197	A40B13C23	48.978	100	110	19.498	110
O.O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1	MC-0000006360	A30B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007880	A37B8C7	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1	MC-0000009755	A22B11C10	110	100	83.71	37.154	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1C=O	MC-0000012858	A40B10C14	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014315	A43B11C16	91.201	100	39.97	32.359	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007624	A21B8C7	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015547	A32B11C18	110	100	62.11	42.658	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019655	A25B7C24	110	100	110	110	110
CO.Nc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014644	A20B4C17	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019265	A1B1C24	52.481	100	110	27.542	110
CO.CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007669	A24B5C7	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007714	A27B2C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017784	A40B8C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007586	A19B2C7	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012200	A43B8C13	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000009867	A29B11C10	100	100	42.85	38.019	110
CO.Nc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017812	A42B4C21	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1	MC-0000018792	A15B8C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccn1	MC-0000019063	A32B7C23	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013649	A2B1C16	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.C=O	MC-0000007287	A44B7C6	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015589	A35B5C18	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1	MC-0000007138	A35B2C6	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012843	A39B11C14	110	100	110	54.954	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013405	A30B13C15	57.544	100	110	26.915	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017079	A40B7C20	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013657	A2B9C16	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000010130	A2B2C11	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008743	A3B7C9	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC=O	MC-0000004360	A37B8C2	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015163	A8B11C18	110	100	87.94	32.359	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000011760	A15B16C13	110	100	110	83.176	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013916	A18B12C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019621	A23B5C24	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1ncc[nH]1	MC-0000004255	A30B15C2	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013355	A27B11C15	28.84	100	25.39	19.498	110
O.CO.COC(=O)C[N+]#[C-].NCc1ccncc1.C=O	MC-0000007290	A44B10C6	110	100	110	110	110
O.CO.NCc1ccncc1.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016442	A44B10C19	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015319	A18B7C18	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O	MC-0000011442	A40B2C12	110	100	110	110	110
O.CO.Nc1cccc(N)c1.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003767	A44B7C1	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018225	A24B1C22	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000007105	A33B1C6	77.625	100	110	52.481	110
CO.Nc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008726	A2B6C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019752	A31B8C24	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccco1	MC-0000017947	A6B11C22	38.905	100	67.06	39.811	110
CO.CSCCC=O.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016700	A16B12C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009291	A37B11C9	85.114	100	66.79	30.903	110
CO.C[N+]#[C-].CC(C)CC=O.Nc1cccnc1	MC-0000010182	A5B6C11	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013035	A7B11C15	75.858	100	35.38	28.184	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.Nc1cccc(N)c1	MC-0000004423	A41B7C2	110	100	110	110	110
O.Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1	MC-0000009873	A30B1C10	110	100	110	24.547	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016512	A4B16C20	110	100	110	75.858	110
CO.Nc1ccccc1.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014927	A37B15C17	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004520	A3B8C3	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000017000	A35B8C20	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010985	A11B9C12	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=CCc1ccccc1	MC-0000010601	A31B9C11	110	100	110	56.234	110
CO.NCc1cccnc1.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013420	A31B12C15	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccs1	MC-0000019105	A35B1C23	110	100	110	75.858	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000004003	A15B3C2	100	100	110	12.589	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019309	A3B13C24	100	100	110	13.804	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013139	A14B3C15	110	100	110	43.652	110
Cl.Cl.CO.C[N+]#[C-].CC(C)CC=O.NC(=N)c1ccc(N)cc1	MC-0000010187	A5B11C11	110	100	67.06	25.704	110
CO.NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016149	A26B5C19	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013575	A41B7C15	110	100	110	110	110
CO.CSCCC=O.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003327	A16B15C1	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016100	A23B4C19	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016216	A30B8C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=CCCc1ccccc1	MC-0000018794	A15B10C23	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1ccccn1	MC-0000004991	A32B15C3	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=CC1CCCCC1	MC-0000010444	A21B12C11	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000006565	A43B5C5	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007802	A32B10C7	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000009567	A10B15C10	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1	MC-0000018222	A23B14C22	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007885	A37B13C7	39.811	29.3	64.09	22.909	110
CO.NCc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007484	A12B12C7	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000017003	A35B11C20	110	100	73.81	52.481	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1	MC-0000018897	A22B1C23	110	100	110	31.623	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003531	A29B11C1	110	100	70.75	30.903	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015874	A9B2C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014680	A22B8C17	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016427	A43B11C19	100	100	56.62	34.674	110
CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011189	A24B5C12	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014005	A24B5C16	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014665	A21B9C17	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.OCc1ccc(C=O)o1	MC-0000010412	A19B12C11	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1	MC-0000018798	A15B14C23	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008226	A15B2C8	110	100	110	110	110
O.CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1	MC-0000012910	A43B14C14	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].Nc1ccncc1	MC-0000010484	A24B4C11	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016515	A5B3C20	110	100	110	35.481	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000019187	A40B3C23	110	100	110	23.988	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018824	A17B8C23	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013327	A25B15C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O.C=CC[N+]#[C-]	MC-0000008584	A37B8C8	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016579	A9B3C20	110	100	110	50.119	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC=O	MC-0000007179	A37B11C6	38.905	100	58.24	29.512	110
CO.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014455	A8B7C17	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011027	A14B3C12	110	100	110	54.954	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000004636	A10B12C3	110	100	110	110	110
O.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000006361	A30B9C5	110	100	110	87.096	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.C=O	MC-0000012223	A44B15C13	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005358	A11B14C4	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000019009	A29B1C23	110	100	110	19.055	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016811	A23B11C20	58.884	100	24.67	28.184	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N	MC-0000007027	A28B3C6	110	100	110	56.234	110
CO.NCc1ccncc1.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013258	A21B10C15	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000011376	A35B16C12	110	100	110	70.795	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000017992	A9B8C22	110	100	110	110	110
O.CO.CCCCCC=O.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000009422	A1B14C10	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.OCC(O)C(O)CC=O	MC-0000004911	A27B15C3	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=CCc1ccccc1	MC-0000019055	A31B15C23	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008380	A24B12C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013560	A40B8C15	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015651	A39B3C18	110	100	110	60.256	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000004638	A10B14C3	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1ccccn1	MC-0000004276	A32B4C2	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008525	A33B13C8	23.988	100	110	16.982	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005369	A12B9C4	110	100	110	63.096	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016297	A35B9C19	110	100	110	34.674	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011787	A17B11C13	110	100	59.5	34.674	110
CO.Nc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008756	A4B4C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013768	A9B8C16	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015225	A12B9C18	110	100	110	70.795	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000006733	A9B13C6	36.308	50.9	110	28.184	110
CO.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015157	A8B5C18	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000018692	A9B4C23	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015707	A42B11C18	110	100	63.1	25.119	110
CO.CSCCC=O.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017402	A16B10C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000012034	A33B2C13	110	100	110	110	97.724
CO.CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016903	A29B7C20	110	100	110	110	110
O.CO.Nc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014806	A30B6C17	110	100	110	110	110
CO.Nc1ccncc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015796	A4B4C19	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003515	A28B11C1	110	100	65.71	26.303	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000011827	A20B3C13	110	100	110	51.286	110
CO.COC(=O)C[N+]#[C-].CSCCC=O.Nc1cccnc1	MC-0000006838	A16B6C6	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017789	A40B13C21	50.119	100	110	25.119	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014960	A39B16C17	110	100	110	51.286	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000011239	A27B7C12	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019298	A3B2C24	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019650	A25B2C24	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016535	A6B7C20	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013911	A18B7C16	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000005984	A6B16C5	110	100	110	57.544	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016464	A1B16C20	110	73.6	110	43.652	110
CO.Nc1ccccc1.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013295	A23B15C15	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012987	A4B11C15	100	100	47.08	17.783	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019627	A23B11C24	110	100	87.67	28.184	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccco1	MC-0000012309	A6B5C14	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000011359	A34B15C12	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000011526	A1B6C13	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000019011	A29B3C23	110	100	110	38.019	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016145	A26B1C19	35.481	100	110	19.498	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011890	A24B2C13	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000005894	A1B6C5	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CC1	MC-0000010715	A38B11C11	110	100	86.77	53.703	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000018195	A22B3C22	110	100	110	56.234	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013251	A21B3C15	110	100	110	56.234	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019480	A14B8C24	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.C=O	MC-0000011506	A44B2C12	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=CCc1ccccc1	MC-0000009893	A31B5C10	110	100	110	110	110
O.O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1	MC-0000009886	A30B14C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019856	A37B16C24	110	100	110	27.542	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1ncc[nH]1	MC-0000018324	A30B4C22	110	100	110	110	110
CO.Nc1ccccc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013455	A33B15C15	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015220	A12B4C18	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N	MC-0000004849	A24B1C3	110	100	110	47.863	110
CO.Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009119	A26B15C9	110	100	110	110	110
CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004496	A1B16C3	110	100	110	17.783	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015448	A26B8C18	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017350	A13B6C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018260	A26B4C22	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=CCCc1ccccc1	MC-0000006822	A15B6C6	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.OCC=O	MC-0000019140	A37B4C23	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007605	A20B5C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007429	A9B5C7	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000006357	A30B5C5	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013467	A34B11C15	33.884	100	14.86	12.589	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1ccco1	MC-0000003868	A6B12C2	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000010258	A10B2C11	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.OCc1ccc(C=O)o1	MC-0000018148	A19B4C22	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005406	A14B14C4	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005583	A25B15C4	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014592	A16B16C17	110	100	110	67.608	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008354	A23B2C8	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015131	A6B11C18	45.709	100	52.21	23.442	110
CO.Nc1ccccc1.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016095	A22B15C19	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000019219	A42B3C23	110	100	110	40.738	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011715	A13B3C13	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000019078	A33B6C23	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014968	A40B8C17	110	100	86.5	110	110
CO.CSCCC=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014581	A16B5C17	110	100	110	110	110
CO.NCc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005612	A27B12C4	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000011125	A20B5C12	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018022	A11B6C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000018747	A12B11C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012144	A39B16C13	110	100	110	69.183	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000019080	A33B8C23	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000017993	A9B9C22	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017439	A18B15C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014761	A27B9C17	110	100	110	50.119	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019467	A13B11C24	110	100	61.03	52.481	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016160	A26B16C19	66.069	100	110	47.863	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccco1	MC-0000006677	A6B5C6	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000009594	A12B10C10	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014070	A28B6C16	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].CC(=O)C=O.NCc1cccc(c1)C(=N)N	MC-0000010753	A41B1C11	110	100	110	23.988	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010941	A8B13C12	50.119	100	99.91	42.658	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000018389	A34B5C22	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007904	A38B16C7	110	100	110	110	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008234	A15B10C8	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009260	A35B12C9	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012600	A24B8C14	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018011	A10B11C22	110	100	110	110	110
CO.NCc1cccnc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016060	A20B12C19	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.Clc1ccc(C=O)cc1	MC-0000012278	A4B6C14	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003735	A42B7C1	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003332	A17B4C1	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N	MC-0000009683	A18B3C10	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017357	A13B13C21	110	100	110	52.481	110
CO.CSCCC=O.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013882	A16B10C16	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1	MC-0000010093	A43B13C10	28.84	100	110	44.668	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008148	A10B4C8	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005780	A38B4C4	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.OCC=O	MC-0000005057	A37B1C3	110	100	110	69.183	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1	MC-0000005080	A38B8C3	110	100	110	110	110
CO.NCc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014634	A19B10C17	110	100	110	110	110
CO.CC(=O)C=O.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000017100	A41B12C20	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018315	A29B11C22	85.114	100	59.5	33.113	110
O.CO.CCCCCC=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019272	A1B8C24	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014889	A35B9C17	110	100	110	47.863	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013987	A23B3C16	110	100	110	21.878	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000009507	A7B3C10	110	100	110	54.954	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000018035	A12B3C22	110	100	110	35.481	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007883	A37B11C7	53.703	100	48.52	31.623	110
CO.C[N+]#[C-].Nc1cccnc1.OCC(O)C(O)CC=O	MC-0000010534	A27B6C11	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005847	A42B7C4	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000018239	A24B15C22	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005444	A17B4C4	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013677	A3B13C16	58.884	100	110	32.359	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017331	A12B3C21	110	100	110	27.542	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009133	A27B13C9	110	100	110	30.903	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014876	A34B12C17	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008069	A5B5C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009288	A37B8C9	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000011334	A33B6C12	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000019211	A41B11C23	110	100	13.78	26.303	110
CO.CCCCCC=O.CCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000012229	A1B5C14	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.NCc1ccc(cc1)C(=N)N	MC-0000004019	A16B3C2	110	100	110	17.783	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000009597	A12B13C10	35.481	100	110	29.512	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CCCCC1	MC-0000018190	A21B14C22	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000012336	A7B16C14	110	100	110	41.687	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccs1	MC-0000012071	A35B7C13	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011222	A26B6C12	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=CC1CC1	MC-0000019167	A38B15C23	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000017098	A41B10C20	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014970	A40B10C17	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].CC(=O)C=O.NCc1ccc(cc1)C(=N)N	MC-0000010755	A41B3C11	110	100	110	34.674	110
O.CO.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008302	A19B14C8	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014337	A1B1C17	110	100	110	26.303	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016865	A27B1C20	110	100	110	48.978	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014659	A21B3C17	110	100	110	53.703	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019697	A28B1C24	110	100	110	47.863	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008901	A13B5C9	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccs1	MC-0000012773	A35B5C14	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015200	A10B16C18	110	100	110	54.954	110
CO.C[N+]#[C-].Nc1ccncc1.OCC(O)C(O)CC=O	MC-0000010532	A27B4C11	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015213	A11B13C18	47.863	100	110	44.668	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000010221	A7B13C11	44.668	100	110	28.84	110
CO.Nc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013030	A7B6C15	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=CCc1ccccc1	MC-0000019049	A31B9C23	110	100	110	54.954	110
CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1	MC-0000009799	A25B7C10	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000011473	A42B1C12	110	100	110	54.954	110
CO.CC(=O)C=O.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000017093	A41B5C20	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003216	A9B16C1	110	100	56.08	58.884	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008458	A29B10C8	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017543	A25B7C21	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N	MC-0000004915	A28B3C3	110	100	110	46.774	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009093	A25B5C9	110	100	110	110	110
O.O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1	MC-0000011288	A30B8C12	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=CCc1ccccc1	MC-0000010598	A31B6C11	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000010922	A7B10C12	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007438	A9B14C7	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].Nc1ccccc1	MC-0000010511	A25B15C11	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.Clc1ccc(C=O)cc1	MC-0000004543	A4B15C3	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017032	A37B8C20	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000004797	A20B13C3	32.359	67.7	95.86	33.884	110
Cl.Cl.CO.CCCCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007297	A1B1C7	110	100	110	52.481	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008523	A33B11C8	110	100	68.32	41.687	110
CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1	MC-0000003791	A1B15C2	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000011494	A43B6C12	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=CC=Cc1ccccc1	MC-0000004799	A20B15C3	110	100	110	110	110
CO.Nc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012982	A4B6C15	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000019082	A33B10C23	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013316	A25B4C15	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000010070	A42B6C10	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015795	A4B3C19	110	100	110	25.119	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016066	A21B2C19	110	100	110	110	110
CO.CC(=O)C=O.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016396	A41B12C19	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019713	A29B1C24	50.119	100	110	23.442	110
O.CO.CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008206	A13B14C8	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1	MC-0000011166	A22B14C12	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017787	A40B11C21	110	100	110	44.668	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000012372	A10B4C14	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019176	A39B8C23	110	100	110	110	110
CO.NCc1ccncc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007786	A31B10C7	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000006040	A10B8C5	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013482	A35B10C15	110	100	110	110	110
O.CO.Nc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014100	A30B4C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007358	A4B14C7	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003603	A34B3C1	110	100	39.34	19.055	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1	MC-0000004280	A32B8C2	110	100	110	110	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=CC1CC1	MC-0000012121	A38B9C13	110	100	110	110	110
CO.CCCCCC=O.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008006	A1B6C8	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014694	A23B6C17	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019724	A29B12C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016853	A26B5C20	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1	MC-0000018344	A31B8C22	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014559	A14B15C17	110	100	110	110	110
O.CO.NCc1ccncc1.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014330	A44B10C16	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016648	A13B8C20	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016394	A41B10C19	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011523	A1B3C13	110	100	110	38.905	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006872	A18B8C6	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016877	A27B13C20	100	100	110	25.704	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1cccs1	MC-0000018410	A35B10C22	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000006697	A7B9C6	110	100	110	31.623	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010507	A25B11C11	57.544	89.3	93.61	18.621	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000011722	A13B10C13	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].Nc1ccccc1	MC-0000010495	A24B15C11	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009057	A23B1C9	110	100	110	37.154	110
CO.COc1cccc(C=O)c1OC.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005863	A43B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019319	A4B7C24	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014000	A23B16C16	110	100	110	37.154	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1	MC-0000011128	A20B8C12	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005312	A8B16C4	110	100	110	70.795	110
CO.NCc1cccnc1.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013516	A37B12C15	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1	MC-0000006824	A15B8C6	110	100	110	110	110
CO.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008642	A41B2C8	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=CCCc1ccccc1	MC-0000011750	A15B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015888	A9B16C19	70.795	46.4	110	28.184	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014817	A31B1C17	110	100	110	33.884	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015089	A4B1C18	110	100	110	54.954	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013323	A25B11C15	54.954	100	25.3	26.303	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1	MC-0000010664	A35B8C11	110	100	110	110	110
O.Cl.CO.NCc1cccc(N)c1.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019961	A44B9C24	110	100	110	7.244	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc[nH]1	MC-0000004143	A23B15C2	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000004507	A2B11C3	110	100	110	30.2	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007618	A21B2C7	110	100	110	110	110
CO.Nc1ccccc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015983	A15B15C19	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011229	A26B13C12	24.547	100	110	39.811	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1	MC-0000007275	A43B11C6	110	100	70.84	36.308	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003464	A25B8C1	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1c[nH]c2ccccc12	MC-0000010143	A2B15C11	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.OCc1ccc(C=O)o1	MC-0000018854	A19B6C23	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008856	A10B8C9	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.OCC(O)C(O)CC=O	MC-0000010543	A27B15C11	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008095	A6B15C8	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019428	A11B4C24	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013700	A5B4C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013749	A8B5C16	110	100	110	110	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012137	A39B9C13	110	100	110	56.234	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007346	A4B2C7	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000004087	A20B7C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007968	A42B16C7	110	100	110	72.444	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013752	A8B8C16	110	100	110	110	110
CO.NCc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015466	A27B10C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015841	A7B1C19	39.811	100	110	30.2	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011259	A28B11C12	110	100	48.88	17.783	110
O.CO.CCCCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000014350	A1B14C17	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000019102	A34B14C23	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000014382	A3B14C17	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014039	A26B7C16	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005328	A9B16C4	110	100	110	66.069	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010990	A11B14C12	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000017876	A2B4C22	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016192	A28B16C19	110	100	110	51.286	110
Cl.Cl.CO.CCCCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015041	A1B1C18	110	100	110	39.811	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017512	A23B8C21	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000011537	A2B1C13	110	100	110	110	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].NCc1cccc(N)c1	MC-0000010505	A25B9C11	110	100	110	110	110
CO.CSCCC=O.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014583	A16B7C17	110	100	110	110	110
CO.NCc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017388	A15B12C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019922	A42B2C24	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000011939	A27B3C13	110	100	110	38.019	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=CCCc1ccccc1	MC-0000010345	A15B9C11	110	100	110	89.125	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008344	A22B8C8	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005572	A25B4C4	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014028	A25B12C16	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000009577	A11B9C10	110	100	110	60.256	110
CO.COCC[N+]#[C-].NCc1ccncc1.OCc1ccc(C=O)o1	MC-0000009706	A19B10C10	110	100	110	110	110
Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007673	A24B9C7	110	100	110	110	110
CO.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013047	A8B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007447	A10B7C7	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013217	A19B1C15	110	100	110	47.863	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000010217	A7B9C11	110	100	110	74.131	110
Cl.CO.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015657	A39B9C18	110	100	110	48.978	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019873	A39B1C24	45.709	100	110	22.387	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccn1	MC-0000019065	A32B9C23	110	100	110	23.442	110
CO.Nc1ccccc1.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013935	A19B15C16	110	100	110	110	110
CO.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013754	A8B10C16	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013583	A41B15C15	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015066	A2B10C18	110	100	110	110	110
CO.Nc1cccnc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019494	A15B6C24	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007494	A13B6C7	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=CC=Cc1ccccc1	MC-0000011124	A20B4C12	110	100	110	110	10.233
CO.NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019669	A26B5C24	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015930	A12B10C19	110	100	110	110	110
O.CO.Nc1cccnc1.C=O.[C-]#[N+]C1CCCCC1	MC-0000005878	A44B6C4	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccccn1	MC-0000007100	A32B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000007250	A42B2C6	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CC1	MC-0000006482	A38B2C5	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008977	A18B1C9	110	100	110	34.674	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc[nH]1	MC-0000018212	A23B4C22	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1	MC-0000006242	A23B2C5	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015498	A29B10C18	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018562	A1B2C23	110	54	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013427	A32B3C15	110	100	71.11	56.234	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000011474	A42B2C12	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019431	A11B7C24	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1	MC-0000006989	A25B13C6	47.863	100	110	33.113	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015037	A44B13C17	38.019	37.2	55.36	23.988	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007776	A30B16C7	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.OCc1ccc(C=O)o1	MC-0000018159	A19B15C22	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019501	A15B13C24	44.668	100	110	25.704	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005297	A8B1C4	110	100	110	38.019	110
CO.Nc1cccnc1.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008518	A33B6C8	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014731	A25B11C17	50.119	27.9	89.11	28.184	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008480	A30B16C8	110	100	110	43.652	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008902	A13B6C9	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014371	A3B3C17	110	100	110	61.66	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015634	A38B2C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015528	A31B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003592	A33B8C1	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=CC1CC1	MC-0000010015	A38B15C10	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014610	A18B2C17	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013832	A13B8C16	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015174	A9B6C18	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013126	A13B6C15	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005395	A14B3C4	110	100	110	42.658	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013895	A17B7C16	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019952	A43B16C24	110	100	110	45.709	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015533	A31B13C18	17.378	100	74.89	23.988	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008133	A9B5C8	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013837	A13B13C16	34.674	100	110	79.433	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017590	A28B6C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005789	A38B13C4	38.905	100	110	21.878	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccccn1	MC-0000018364	A32B12C22	110	100	110	110	110
O.CO.NCc1cccnc1.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013628	A44B12C15	110	100	110	110	110
Cl.CO.CC(C)CC=O.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015113	A5B9C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017249	A7B1C21	110	100	110	52.481	110
CO.NCc1cccnc1.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017244	A6B12C21	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000018859	A19B11C23	100	100	27.91	41.687	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013304	A24B8C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003255	A12B7C1	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015936	A12B16C19	87.096	75	110	36.308	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018676	A8B4C23	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017474	A21B2C21	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013008	A5B16C15	110	100	110	45.709	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005216	A2B16C4	110	100	110	74.131	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007393	A7B1C7	110	100	110	91.201	110
CO.Nc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017383	A15B7C21	110	100	110	110	110
CO.Nc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005478	A19B6C4	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000018615	A4B7C23	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014088	A29B8C16	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007804	A32B12C7	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007831	A34B7C7	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000004498	A2B2C3	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000018122	A17B10C22	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010971	A10B11C12	43.652	100	94.6	51.286	110
CO.CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014709	A24B5C17	110	100	110	110	110
Cl.CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].NCc1cccc(N)c1	MC-0000010377	A17B9C11	110	100	110	91.201	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000010214	A7B6C11	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011022	A13B14C12	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1cccs1	MC-0000018412	A35B12C22	110	100	110	110	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019305	A3B9C24	110	100	110	26.303	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014945	A39B1C17	110	100	110	41.687	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015854	A7B14C19	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000006276	A25B4C5	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007762	A30B2C7	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013435	A32B11C15	100	100	55.36	30.2	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013184	A16B16C15	110	100	110	63.096	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.OCc1ccc(C=O)o1	MC-0000011119	A19B15C12	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000018448	A37B16C22	110	100	110	64.565	110
CO.Nc1cccc(N)c1.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015623	A37B7C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015345	A20B1C18	85.114	100	110	38.019	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008389	A25B5C8	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].Nc1ccncc1	MC-0000009860	A29B4C10	110	100	110	110	110
O.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.C=O	MC-0000011513	A44B9C12	110	100	110	77.625	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011720	A13B8C13	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019426	A11B2C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016875	A27B11C20	110	100	65.71	43.652	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000012053	A34B5C13	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007717	A27B5C7	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.OCC=O	MC-0000009994	A37B10C10	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008987	A18B11C9	110	100	49.6	31.623	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=CCCc1ccccc1	MC-0000009637	A15B5C10	110	100	110	110	110
Cl.CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1	MC-0000004153	A24B9C2	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018291	A28B3C22	110	100	110	60.256	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000018601	A3B9C23	110	100	110	26.303	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013130	A13B10C15	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016207	A29B15C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013593	A42B9C15	110	100	110	81.283	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008398	A25B14C8	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013260	A21B12C15	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1	MC-0000004758	A18B6C3	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ncc[nH]1	MC-0000011988	A30B4C13	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004695	A14B7C3	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008356	A23B4C8	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011278	A29B14C12	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004048	A17B16C2	110	100	110	11.749	110
CO.Nc1ccccc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017215	A4B15C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013991	A23B7C16	110	100	110	110	110
CO.CSCCC=O.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008954	A16B10C9	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000009509	A7B5C10	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000009635	A15B3C10	110	100	110	58.884	110
CO.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017410	A17B2C21	110	100	110	110	110
CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011461	A41B5C12	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017297	A10B1C21	40.738	100	110	38.019	110
CO.Nc1ccncc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019780	A33B4C24	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019461	A13B5C24	110	100	110	110	110
CO.CCCC[N+]#[C-].CC(C)CC=O.Nc1cccnc1	MC-0000012294	A5B6C14	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015894	A10B6C19	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013880	A16B8C16	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014835	A32B3C17	110	100	110	36.308	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000018619	A4B11C23	110	100	82.81	33.884	110
O.CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1	MC-0000009874	A30B2C10	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019505	A16B1C24	64.565	100	110	47.863	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012264	A3B8C14	110	100	110	110	110
O.CO.NCc1ccncc1.C=O.[C-]#[N+]C1CCCCC1	MC-0000005882	A44B10C4	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000018699	A9B11C23	48.978	100	110	63.096	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015949	A13B13C19	38.905	100	110	60.256	110
Cl.CO.CCCCCC=O.C[N+]#[C-].NCc1cccc(N)c1	MC-0000010121	A1B9C11	110	100	110	56.234	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007902	A38B14C7	110	100	110	110	110
CO.NCc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013690	A4B10C16	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010018	A39B2C10	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014393	A4B9C17	110	100	110	39.811	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015479	A28B7C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005417	A15B9C4	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.C=O	MC-0000011510	A44B6C12	110	100	110	110	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010528	A26B16C11	110	100	110	48.978	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000004368	A37B16C2	110	100	110	16.218	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017977	A8B9C22	110	100	110	110	110
O.CO.Nc1ccccc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019743	A30B15C24	110	100	110	110	110
O.CO.NCc1ccncc1.C=O.C=CC[N+]#[C-]	MC-0000008698	A44B10C8	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc[nH]1	MC-0000006250	A23B10C5	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006152	A17B8C5	110	100	110	110	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011209	A25B9C12	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000012331	A7B11C14	100	100	110	37.154	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1	MC-0000011570	A4B2C13	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010973	A10B13C12	44.668	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008057	A4B9C8	110	100	110	83.176	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016683	A15B11C20	110	100	110	54.954	110
CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].Nc1ccncc1	MC-0000010564	A29B4C11	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N	MC-0000004035	A17B3C2	110	100	110	15.849	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1	MC-0000012571	A22B11C14	87.096	100	88.39	31.623	110
O.CO.Nc1cccc(N)c1.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015031	A44B7C17	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC=O	MC-0000009995	A37B11C10	48.978	100	28.81	28.184	110
CO.Nc1cccnc1.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014886	A35B6C17	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011789	A17B13C13	89.125	100	110	27.542	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1	MC-0000005970	A6B2C5	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O	MC-0000007118	A33B14C6	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015475	A28B3C18	110	100	110	42.658	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012992	A4B16C15	110	45	110	26.915	110
O.CO.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009134	A27B14C9	110	100	110	110	110
Cl.CO.CSCCC=O.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005433	A16B9C4	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013919	A18B15C16	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014408	A5B8C17	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003525	A29B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005589	A26B5C4	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.Nc1cccnc1	MC-0000004550	A5B6C3	110	100	110	110	110
O.CO.C[N+]#[C-].Nc1ccccc1.O=Cc1ncc[nH]1	MC-0000010591	A30B15C11	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000018643	A6B3C23	110	100	110	48.978	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019929	A42B9C24	110	100	110	31.623	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016768	A20B16C20	110	100	110	66.069	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc[nH]1	MC-0000012580	A23B4C14	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008684	A43B12C8	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015711	A42B15C18	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007680	A24B16C7	110	24	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=CC1CCCCC1	MC-0000004111	A21B15C2	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000012378	A10B10C14	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013146	A14B10C15	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000007184	A37B16C6	110	100	110	54.954	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000010952	A9B8C12	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000018667	A7B11C23	110	100	84.07	48.978	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008026	A2B10C8	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000006090	A13B10C5	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005350	A11B6C4	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000011764	A16B4C13	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016714	A17B10C20	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015459	A27B3C18	110	100	110	31.623	110
Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019721	A29B9C24	110	100	110	25.704	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019300	A3B4C24	110	100	110	110	110
Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014009	A24B9C16	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008335	A21B15C8	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010376	A17B8C11	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000010961	A10B1C12	110	100	110	69.183	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018593	A3B1C23	110	100	110	56.234	110
Cl.CO.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007913	A39B9C7	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=CC1CC1	MC-0000008604	A38B12C8	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1	MC-0000006126	A15B14C5	34.674	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=CC1CC1	MC-0000004375	A38B7C2	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010504	A25B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016840	A25B8C20	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.Nc1cccc(N)c1	MC-0000003847	A5B7C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007616	A20B16C7	110	100	110	30.2	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005577	A25B9C4	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008947	A16B3C9	110	100	110	43.652	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000010272	A10B16C11	110	100	110	60.256	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000005024	A34B16C3	110	100	84.97	39.811	110
CO.NCc1ccncc1.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015642	A38B10C18	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(=O)C=O.Nc1ccncc1	MC-0000007236	A41B4C6	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013059	A9B3C15	110	100	110	52.481	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccco1	MC-0000012314	A6B10C14	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010934	A8B6C12	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017777	A40B1C21	25.119	100	89.38	9.12	100
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000010076	A42B12C10	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010555	A28B11C11	110	100	53.56	14.454	110
CO.Nc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017703	A35B7C21	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1	MC-0000006782	A12B14C6	110	100	110	110	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013617	A44B1C15	110	100	110	21.878	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016040	A19B8C19	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.Clc1ccc(C=O)cc1	MC-0000005940	A4B4C5	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007970	A43B2C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014248	A39B8C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019810	A35B2C24	110	100	110	110	110
CO.NCc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014636	A19B12C17	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010964	A10B4C12	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005829	A41B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017445	A19B5C21	110	100	110	110	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000009904	A31B16C10	110	100	110	75.858	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014081	A29B1C16	110	100	110	38.905	110
CO.CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015234	A13B2C18	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=CCc1ccccc1	MC-0000009894	A31B6C10	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005866	A43B10C4	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008391	A25B7C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017458	A20B2C21	110	100	110	110	110
O.CO.NCc1ccncc1.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019962	A44B10C24	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014518	A12B6C17	110	100	110	110	110
O.CO.Nc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017623	A30B7C21	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000018607	A3B15C23	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011585	A5B1C13	110	100	110	63.096	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015499	A29B11C18	81.283	100	54.55	35.481	110
CO.NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019482	A14B10C24	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000018236	A24B12C22	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1ccccc1C=O	MC-0000005108	A40B4C3	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003994	A14B10C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005248	A4B16C4	110	100	110	60.256	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1	MC-0000004045	A17B13C2	30.903	81	86.14	5.129	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2	MC-0000018703	A9B15C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc[nH]1	MC-0000018223	A23B15C22	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015973	A15B5C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019561	A19B9C24	110	100	110	32.359	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011200	A24B16C12	110	100	110	74.131	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CC1	MC-0000010717	A38B13C11	69.183	100	110	28.84	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018061	A13B13C22	31.623	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005458	A18B2C4	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1ccco1	MC-0000004561	A6B1C3	110	100	110	64.565	110
CO.Nc1cccc(N)c1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019623	A23B7C24	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000007115	A33B11C6	110	100	95.14	38.019	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014137	A32B9C16	110	100	110	83.176	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018529	A43B1C22	87.096	100	110	48.978	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007376	A5B16C7	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017286	A9B6C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019297	A3B1C24	83.176	100	110	23.988	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013777	A10B1C16	110	100	110	43.652	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018952	A25B8C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017264	A7B16C21	110	100	110	56.234	110
CO.Nc1ccccc1.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009055	A22B15C9	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000010869	A4B5C12	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019848	A37B8C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013230	A19B14C15	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1	MC-0000019048	A31B8C23	110	100	110	110	110
Cl.CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000012169	A41B9C13	110	100	110	21.38	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013299	A24B3C15	110	100	110	67.608	110
CO.Nc1ccncc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019892	A40B4C24	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007636	A22B4C7	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000019107	A35B3C23	110	100	110	67.608	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000010945	A9B1C12	110	100	110	54.954	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013553	A40B1C15	66.069	100	110	30.903	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009120	A26B16C9	110	100	110	83.176	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000018624	A4B16C23	110	100	110	54.954	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000012394	A11B10C14	110	100	110	110	110
CO.NCc1ccncc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019322	A4B10C24	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013839	A13B15C16	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006054	A11B6C5	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CC(C)CC=O.NCc1ccc(cc1)C(=N)N	MC-0000006659	A5B3C6	110	100	110	60.256	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014487	A10B7C17	110	100	110	110	110
CO.COCC[N+]#[C-].CC(C)CC=O.NCc1cccnc1	MC-0000009484	A5B12C10	110	100	110	110	110
CO.NCc1cccnc1.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008300	A19B12C8	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013591	A42B7C15	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.OCc1ccc(C=O)o1	MC-0000006895	A19B15C6	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013188	A17B4C15	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1ccc[nH]1	MC-0000018924	A23B12C23	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008625	A40B1C8	45.709	100	110	44.668	110
CO.NCc1cccnc1.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013484	A35B12C15	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014796	A29B12C17	110	100	110	110	110
O.CO.Nc1ccccc1.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009407	A44B15C9	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011502	A43B14C12	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1	MC-0000010658	A35B2C11	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005315	A9B3C4	110	100	110	38.019	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005381	A13B5C4	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O	MC-0000009832	A27B8C10	110	100	110	110	110
O.O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1	MC-0000012696	A30B8C14	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016777	A21B9C20	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000018899	A22B3C23	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019672	A26B8C24	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014715	A24B11C17	110	100	99.91	40.738	110
CO.Nc1cccnc1.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007846	A35B6C7	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010323	A14B3C11	110	100	110	61.66	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018115	A17B3C22	110	100	110	64.565	110
CO.C[N+]#[C-].Nc1cccnc1.Clc1ccc(C=O)cc1	MC-0000010166	A4B6C11	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008419	A27B3C8	110	100	110	32.359	110
CO.Nc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014391	A4B7C17	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000018522	A42B10C22	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003374	A19B14C1	110	100	110	110	0.09
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000012406	A12B6C14	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017347	A13B3C21	110	100	110	69.183	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019533	A17B13C24	48.978	100	110	24.547	110
Cl.Cl.CO.CCCCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017153	A1B1C21	110	100	110	48.978	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011345	A34B1C12	100	100	99.91	23.442	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013937	A20B1C16	79.433	100	110	42.658	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000017885	A2B13C22	79.433	100	110	60.256	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000019216	A41B16C23	110	100	110	33.113	110
CO.Nc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013862	A15B6C16	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003229	A10B13C1	83.176	100	110	30.2	110
CO.NCc1ccncc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019626	A23B10C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013221	A19B5C15	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC=O	MC-0000018443	A37B11C22	81.283	100	30.16	34.674	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000005936	A3B16C5	110	100	110	75.858	110
CO.Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014359	A2B7C17	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O	MC-0000009794	A25B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1cccs1	MC-0000009964	A35B12C10	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014302	A42B14C16	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000018839	A18B7C23	110	100	110	110	110
CO.CSCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005426	A16B2C4	110	100	110	81.283	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005697	A33B1C4	110	100	110	66.069	110
CO.NCc1ccncc1.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015834	A6B10C19	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.Clc1ccc(C=O)cc1	MC-0000010164	A4B4C11	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007939	A41B3C7	110	100	110	40.738	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016655	A13B15C20	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.C=O	MC-0000012917	A44B5C14	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1cccs1	MC-0000005035	A35B11C3	110	100	110	54.954	110
CO.NCc1ccncc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016266	A33B10C19	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018080	A14B16C22	110	100	110	39.811	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000012288	A4B16C14	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003336	A17B8C1	110	100	110	110	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017193	A3B9C21	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005565	A24B13C4	34.674	100	110	30.903	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014189	A35B13C16	23.442	100	110	52.481	110
Cl.CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000018505	A41B9C22	110	100	110	37.154	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017585	A28B1C21	110	100	110	75.858	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003451	A24B11C1	110	100	110	81.283	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009032	A21B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008680	A43B8C8	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019664	A25B16C24	110	100	110	38.905	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017289	A9B9C21	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccn1	MC-0000010615	A32B7C11	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000011919	A25B15C13	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014964	A40B4C17	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CSCCC=O.NCc1cccnc1	MC-0000006844	A16B12C6	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000010707	A38B3C11	110	100	110	38.019	110
O.CO.NC(=O)c1ccc(N)nc1.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017742	A37B14C21	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015599	A35B15C18	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014871	A34B7C17	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016151	A26B7C19	110	100	110	110	110
CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1	MC-0000010645	A34B5C11	110	100	110	69.183	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018683	A8B11C23	110	100	56.8	42.658	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011975	A29B7C13	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014565	A15B5C17	110	100	110	110	110
CO.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008823	A8B7C9	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005220	A3B4C4	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016532	A6B4C20	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000010427	A20B11C11	44.668	100	99.91	34.674	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000018024	A11B8C22	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018397	A34B13C22	38.905	100	59.14	21.38	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000006278	A25B6C5	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005501	A20B13C4	28.184	55.5	110	27.542	110
CO.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015559	A33B7C18	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003149	A5B13C1	69.183	100	110	26.915	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1	MC-0000012909	A43B13C14	22.387	100	110	34.674	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011801	A18B9C13	110	100	110	70.795	110
CO.Nc1ccccc1.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016783	A21B15C20	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000018956	A25B12C23	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1	MC-0000006440	A35B8C5	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007663	A23B15C7	110	100	110	110	110
O.O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.C=O	MC-0000004472	A44B8C2	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000017867	A1B11C22	97.724	100	53.29	41.687	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000006891	A19B11C6	40.738	100	59.14	26.303	110
O.CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1	MC-0000009854	A28B14C10	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].NCc1ccncc1	MC-0000010506	A25B10C11	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000012323	A7B3C14	110	100	110	53.703	110
O.CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1ncc[nH]1	MC-0000011284	A30B4C12	110	100	110	110	110
CO.NCc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015276	A15B12C18	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000011484	A42B12C12	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000017875	A2B3C22	110	100	110	110	110
CO.Nc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005236	A4B4C4	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006283	A25B11C5	87.096	46.8	110	35.481	110
CO.NCc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015068	A2B12C18	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018530	A43B2C22	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=CC1CC1	MC-0000011412	A38B4C12	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000017903	A3B15C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000018275	A27B3C22	110	100	110	30.903	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000010877	A4B13C12	47.863	100	110	36.308	110
CO.NCc1ccc(N)cc1.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016229	A31B5C19	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019818	A35B10C24	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019568	A19B16C24	110	100	110	37.154	110
CO.COCC[N+]#[C-].CC(=O)C=O.NCc1cccnc1	MC-0000010060	A41B12C10	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000012413	A12B13C14	33.113	100	110	30.903	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000011622	A7B6C13	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005730	A35B2C4	110	100	110	110	110
CO.Nc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016502	A4B6C20	110	100	110	110	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017841	A44B1C21	74.131	100	110	4.571	110
CO.NCc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016810	A23B10C20	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009315	A39B3C9	110	100	110	95.499	110
O.CO.NCc1ccc(N)cc1.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014325	A44B5C16	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014316	A43B12C16	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000018672	A7B16C23	110	100	110	70.795	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O	MC-0000003842	A5B2C2	110	100	110	110	110
Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017529	A24B9C21	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=CC=Cc1ccccc1	MC-0000011130	A20B10C12	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019384	A8B8C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014850	A33B2C17	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011026	A14B2C12	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1	MC-0000018904	A22B8C23	110	100	110	110	110
CO.Nc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007348	A4B4C7	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000005088	A38B16C3	110	100	110	85.114	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000018339	A31B3C22	110	100	110	64.565	110
CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1	MC-0000012661	A28B5C14	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015828	A6B4C19	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000011883	A23B11C13	35.481	100	44.92	15.488	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007773	A30B13C7	67.608	100	110	25.704	110
CO.CCCC[N+]#[C-].Nc1ccccc1.OCc1ccc(C=O)o1	MC-0000012527	A19B15C14	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010329	A14B9C11	110	100	110	81.283	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016161	A27B1C19	110	100	110	18.621	110
CO.NCc1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014181	A35B5C16	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000003916	A9B12C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016368	A39B16C19	110	90.5	110	30.2	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019819	A35B11C24	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.NCc1cccnc1	MC-0000012604	A24B12C14	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1	MC-0000004116	A22B4C2	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006267	A24B11C5	110	100	90.1	26.915	110
CO.COC(=O)C[N+]#[C-].CC(=O)C=O.Nc1ccccc1	MC-0000007247	A41B15C6	110	100	110	110	110
CO.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016567	A8B7C20	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010888	A5B8C12	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008050	A4B2C8	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015191	A10B7C18	110	100	110	110	110
O.Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000011997	A30B13C13	64.565	100	110	28.84	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=CC=Cc1ccccc1	MC-0000018164	A20B4C22	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017602	A29B2C21	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006331	A28B11C5	110	100	72.28	29.512	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccs1	MC-0000018413	A35B13C22	37.154	100	110	43.652	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000011656	A9B8C13	110	100	110	110	110
O.CO.Nc1ccccc1.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015039	A44B15C17	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005545	A23B9C4	110	100	110	91.201	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003213	A9B13C1	67.608	100	110	39.811	110
CO.NCc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013162	A15B10C15	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008960	A16B16C9	110	100	110	54.954	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000018524	A42B12C22	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014401	A5B1C17	110	100	110	45.709	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015698	A42B2C18	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].CC(C)CC=O.NCc1ccc(cc1)C(=N)N	MC-0000010179	A5B3C11	110	100	110	58.884	110
CO.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016562	A8B2C20	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008611	A39B3C8	110	100	110	91.201	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013595	A42B11C15	110	100	25.57	36.308	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003585	A33B1C1	74.131	100	110	42.658	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016112	A23B16C19	110	100	110	33.884	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1	MC-0000004066	A19B2C2	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000018057	A13B9C22	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1ccco1	MC-0000003866	A6B10C2	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010237	A8B13C11	53.703	100	99.91	32.359	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1	MC-0000004002	A15B2C2	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015053	A1B13C18	35.481	100	110	20.417	110
Cl.Cl.CO.CSCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015281	A16B1C18	100	100	110	81.283	110
Cl.CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000006969	A24B9C6	110	100	110	28.84	110
CO.Nc1ccncc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015380	A22B4C18	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.Nc1ccncc1	MC-0000004740	A17B4C3	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016486	A3B6C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015215	A11B15C18	110	100	110	110	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000009440	A2B16C10	110	100	110	38.905	110
CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000009602	A13B2C10	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019648	A24B16C24	110	100	110	38.905	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015203	A11B3C18	110	100	99.91	56.234	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007641	A22B9C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1	MC-0000011866	A22B10C13	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000012248	A2B8C14	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003227	A10B11C1	110	100	99.91	27.542	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018020	A11B4C22	110	100	99.91	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1	MC-0000004062	A18B14C2	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ncc[nH]1	MC-0000011990	A30B6C13	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015958	A14B6C19	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017688	A34B8C21	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006714	A8B10C6	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003471	A25B15C1	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005201	A2B1C4	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011792	A17B16C13	110	100	110	56.234	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=CC1CCCCC1	MC-0000006220	A21B12C5	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007522	A15B2C7	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000019020	A29B12C23	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005599	A26B15C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000011684	A11B4C13	110	100	110	110	100
CO.Nc1ccccc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008735	A2B15C9	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006016	A8B16C5	110	100	110	57.544	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=CCc1ccccc1	MC-0000007084	A31B12C6	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015277	A15B13C18	39.811	100	110	38.905	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=CCc1ccccc1	MC-0000011303	A31B7C12	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003418	A22B10C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017477	A21B5C21	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1ccccn1	MC-0000004983	A32B7C3	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014187	A35B11C16	110	100	110	67.608	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013910	A18B6C16	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000006175	A18B15C5	110	100	110	110	110
O.CO.Nc1ccncc1.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017844	A44B4C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018962	A26B2C23	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.Clc1ccc(C=O)cc1	MC-0000006646	A4B6C6	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O	MC-0000012158	A40B14C13	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008784	A5B16C9	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N	MC-0000009937	A34B1C10	110	100	89.11	20.417	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O	MC-0000010034	A40B2C10	110	100	110	110	110
CO.NCc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013692	A4B12C16	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015575	A34B7C18	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000004289	A33B1C2	4.677	100	110	0.562	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017840	A43B16C21	110	100	110	67.608	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005742	A35B14C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013848	A14B8C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003189	A8B5C1	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.Nc1ccncc1	MC-0000005124	A41B4C3	110	100	110	110	110
CO.Nc1ccncc1.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009188	A31B4C9	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015857	A8B1C19	46.774	100	110	26.303	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000006287	A25B15C5	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007785	A31B9C7	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016481	A3B1C20	110	100	110	51.286	110
CO.COCC[N+]#[C-].CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000009664	A16B16C10	110	100	88.03	53.703	110
CO.Nc1cccnc1.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007878	A37B6C7	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000011212	A25B12C12	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000004541	A4B13C3	81.283	100	110	31.623	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015171	A9B3C18	110	100	110	63.096	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000018954	A25B10C23	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016545	A7B1C20	110	100	110	46.774	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013201	A18B1C15	110	100	110	51.286	110
O.Cl.CO.NCc1cccc(N)c1.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016441	A44B9C19	110	100	110	31.623	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1	MC-0000010450	A22B2C11	110	100	110	110	110
Cl.CO.CC(=O)C=O.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000017097	A41B9C20	110	100	110	30.2	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000018565	A1B5C23	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000018996	A28B4C23	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1	MC-0000004745	A17B9C3	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019427	A11B3C24	110	100	56.8	43.652	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1	MC-0000012907	A43B11C14	89.125	100	70.03	38.019	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000006205	A20B13C5	45.709	100	110	26.303	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.C=O	MC-0000019260	A44B12C23	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016528	A5B16C20	110	100	110	81.283	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000007045	A29B5C6	110	100	110	110	110
O.CO.C[N+]#[C-].CC(=O)C=O.NC(=O)c1ccc(N)nc1	MC-0000010766	A41B14C11	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016397	A41B13C19	53.703	100	110	19.055	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017330	A12B2C21	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N	MC-0000004753	A18B1C3	110	100	110	33.113	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=CC=Cc1ccccc1	MC-0000018876	A20B12C23	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000009848	A28B8C10	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007811	A33B3C7	110	100	110	81.283	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007355	A4B11C7	110	100	50.95	33.884	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011644	A8B12C13	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC=O	MC-0000011406	A37B14C12	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014038	A26B6C16	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014660	A21B4C17	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010800	A43B16C11	110	100	110	61.66	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017712	A35B16C21	110	100	110	54.954	110
CO.Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014743	A26B7C17	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013148	A14B12C15	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000018165	A20B5C22	110	100	110	110	110
CO.Nc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014150	A33B6C16	110	100	110	110	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014288	A41B16C16	110	100	110	67.608	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008028	A2B12C8	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O	MC-0000011448	A40B8C12	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014509	A11B13C17	32.359	100	110	45.709	110
O.CO.NCc1ccc(N)cc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016213	A30B5C19	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N	MC-0000012593	A24B1C14	110	100	110	83.176	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018687	A8B15C23	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017699	A35B3C21	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019722	A29B10C24	110	100	110	110	110
CO.Nc1ccncc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019684	A27B4C24	110	100	110	110	110
O.Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000012697	A30B9C14	110	100	110	67.608	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1ccco1	MC-0000018644	A6B4C23	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012634	A26B10C14	110	100	110	110	110
CO.C[N+]#[C-].CC(C)CC=O.NCc1cccnc1	MC-0000010188	A5B12C11	110	100	110	110	110
CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010656	A34B16C11	110	100	98.02	40.738	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013203	A18B3C15	110	100	110	38.019	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000010837	A2B5C12	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018497	A41B1C22	110	100	110	38.019	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013936	A19B16C16	110	100	110	34.674	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000006609	A2B1C6	110	100	110	47.863	110
O.CO.NCc1cccnc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016220	A30B12C19	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017379	A15B3C21	110	100	110	66.069	110
CO.CCCCCC=O.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019269	A1B5C24	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000017862	A1B6C22	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015644	A38B12C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003621	A35B5C1	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1	MC-0000018338	A31B2C22	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019301	A3B5C24	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000006688	A6B16C6	110	100	110	53.703	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1	MC-0000004242	A30B2C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000011584	A4B16C13	110	100	110	67.608	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006430	A34B14C5	110	100	110	110	110
CO.C[N+]#[C-].CC(=O)C=O.Nc1cccc(N)c1	MC-0000010759	A41B7C11	110	100	110	110	110
CO.Nc1ccncc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016052	A20B4C19	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006856	A17B8C6	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008663	A42B7C8	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007411	A8B3C7	110	100	110	87.096	110
CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000010831	A1B15C12	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006664	A5B8C6	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019443	A12B3C24	110	100	110	30.903	110
Cl.Cl.CO.CC(C)CC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005249	A5B1C4	110	100	110	60.256	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1	MC-0000004165	A25B5C2	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N	MC-0000003811	A3B3C2	110	100	110	9.55	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1	MC-0000004756	A18B4C3	110	100	110	110	61.66
Cl.Cl.CO.CC(C)CC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015105	A5B1C18	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000018001	A10B1C22	44.668	100	110	42.658	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000018369	A33B1C22	75.858	100	110	38.905	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccco1	MC-0000017937	A6B1C22	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000012576	A22B16C14	110	100	110	48.978	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010513	A26B1C11	110	100	110	1.148	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000017955	A7B3C22	110	100	110	56.234	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017705	A35B9C21	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000012155	A40B11C13	110	100	110	29.512	75.858
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000003941	A11B5C2	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019481	A14B9C24	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019471	A13B15C24	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014979	A41B3C17	110	100	110	35.481	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003089	A2B1C1	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007342	A3B14C7	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019484	A14B12C24	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008444	A28B12C8	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000011708	A12B12C13	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1	MC-0000004094	A20B14C2	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016665	A14B9C20	110	100	110	81.283	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CCCCC1	MC-0000011853	A21B13C13	95.499	100	110	34.674	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016375	A40B7C19	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008816	A7B16C9	110	100	110	54.954	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1	MC-0000010194	A6B2C11	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].NCc1ccncc1	MC-0000009786	A24B10C10	110	100	110	110	110
CO.NCc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015354	A20B10C18	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015396	A23B4C18	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000004208	A27B16C2	110	100	110	16.982	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016448	A44B16C19	110	100	110	0.234	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016592	A9B16C20	110	100	110	66.069	110
CO.Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017366	A14B6C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014930	A38B2C17	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000005000	A33B8C3	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019335	A5B7C24	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.Clc1ccc(C=O)cc1	MC-0000018612	A4B4C23	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012936	A1B8C15	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011977	A29B9C13	110	100	110	27.542	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000012451	A15B3C14	110	100	110	66.069	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019456	A12B16C24	110	100	110	36.308	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCc1ccccc1	MC-0000011297	A31B1C12	110	100	110	52.481	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005391	A13B15C4	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=CC1CC1	MC-0000005078	A38B6C3	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018240	A24B16C22	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccco1	MC-0000017945	A6B9C22	110	100	110	32.359	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017730	A37B2C21	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1	MC-0000004923	A28B11C3	110	100	56.35	25.119	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1	MC-0000018786	A15B2C23	110	100	110	72.444	110
Cl.Cl.CO.CCCCCC=O.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008001	A1B1C8	110	100	110	50.119	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013790	A10B14C16	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016595	A10B3C20	110	100	110	51.286	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000011671	A10B7C13	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000011649	A9B1C13	110	100	110	44.668	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000006327	A28B7C5	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007456	A10B16C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003177	A7B9C1	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000017089	A41B1C20	110	100	110	30.2	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005811	A40B3C4	45.709	100	110	53.703	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007833	A34B9C7	110	100	110	46.774	110
Cl.Cl.CO.CC(C)CC=O.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019329	A5B1C24	70.795	100	110	58.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015275	A15B11C18	91.201	100	88.84	41.687	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O	MC-0000011630	A7B14C13	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccs1	MC-0000007137	A35B1C6	110	100	110	45.709	110
CO.NCc1cccnc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019324	A4B12C24	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccccn1	MC-0000007098	A32B10C6	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000006343	A29B7C5	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000010195	A6B3C11	110	100	110	61.66	110
Cl.Cl.CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018507	A41B11C22	100	100	16.12	33.884	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010270	A10B14C11	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019347	A6B3C24	110	100	110	36.308	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012977	A4B1C15	110	100	110	41.687	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014755	A27B3C17	110	100	110	33.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019936	A42B16C24	110	100	110	38.905	34.674
CO.NCc1cccnc1.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014828	A31B12C17	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010245	A9B5C11	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=CC=Cc1ccccc1	MC-0000018175	A20B15C22	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016445	A44B13C19	19.498	88.2	98.74	0.676	110
O.CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1	MC-0000012690	A30B2C14	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003460	A25B4C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009010	A20B2C9	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000017127	A43B7C20	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000019223	A42B7C23	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007949	A41B13C7	33.113	63.6	110	33.884	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007725	A27B13C7	110	100	110	31.623	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015792	A3B16C19	77.625	53.5	110	28.184	110
CO.Nc1ccccc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007327	A2B15C7	110	100	110	110	0.09
CO.Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013782	A10B6C16	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccco1	MC-0000003863	A6B7C2	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].Nc1cccc(N)c1	MC-0000010567	A29B7C11	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC=O	MC-0000012811	A37B11C14	38.905	100	41.59	25.704	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008041	A3B9C8	110	100	110	63.096	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000018500	A41B4C22	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=CCCc1ccccc1	MC-0000011050	A15B10C12	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017342	A12B14C21	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007570	A18B2C7	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000012019	A32B3C13	110	100	110	58.884	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016135	A25B7C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017307	A10B11C21	110	100	110	29.512	110
CO.COCC[N+]#[C-].CC(C)CC=O.Nc1ccccc1	MC-0000009487	A5B15C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010944	A8B16C12	110	100	110	74.131	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019705	A28B9C24	110	100	110	66.069	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017171	A2B3C21	110	100	110	38.019	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000009430	A2B6C10	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019628	A23B12C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003581	A32B13C1	100	100	110	22.387	110
CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O	MC-0000009666	A17B2C10	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000017874	A2B2C22	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008053	A4B5C8	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000010169	A4B9C11	110	100	110	91.201	110
Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017353	A13B9C21	110	100	110	110	110
CO.Nc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016678	A15B6C20	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=CC1CC1	MC-0000012119	A38B7C13	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014374	A3B6C17	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000010775	A42B7C11	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019769	A32B9C24	110	100	110	22.909	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018031	A11B15C22	110	100	78.31	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005485	A19B13C4	13.183	44	97.93	14.125	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004891	A26B11C3	110	100	66.7	29.512	110
O.CO.CC(C)CC=O.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008078	A5B14C8	110	100	110	110	110
O.Cl.CO.NCc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005657	A30B9C4	110	100	110	56.234	110
CO.NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015765	A2B5C19	110	100	110	110	110
CO.NCc1cccnc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016268	A33B12C19	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006103	A14B7C5	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011794	A18B2C13	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1	MC-0000004236	A29B12C2	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000017913	A4B9C22	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=O.[C-]#[N+]c1ccccc1	MC-0000017150	A44B14C20	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O	MC-0000004546	A5B2C3	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015515	A30B11C18	110	100	48.16	31.623	110
CO.Nc1ccccc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013039	A7B15C15	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000018597	A3B5C23	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014046	A26B14C16	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010229	A8B5C11	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014507	A11B11C17	63.096	100	61.21	43.652	110
CO.NCc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005290	A7B10C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013095	A11B7C15	110	100	110	110	110
CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1	MC-0000012767	A34B15C14	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015704	A42B8C18	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000012048	A33B16C13	77.625	100	110	64.565	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014029	A25B13C16	33.884	89.1	110	58.884	110
CO.Nc1ccccc1.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013279	A22B15C15	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005261	A5B13C4	75.858	100	110	61.66	110
CO.NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015141	A7B5C18	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccn1	MC-0000018363	A32B11C22	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1	MC-0000018905	A22B9C23	110	100	110	37.154	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016589	A9B13C20	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006511	A39B15C5	110	100	110	110	110
CO.Nc1ccccc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012991	A4B15C15	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1	MC-0000004939	A29B11C3	110	100	86.86	37.154	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014664	A21B8C17	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012688	A29B16C14	110	100	110	52.481	110
O.O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016926	A30B14C20	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000018245	A25B5C22	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1ncc[nH]1	MC-0000006358	A30B6C5	110	100	110	110	110
CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O	MC-0000009682	A18B2C10	110	100	110	110	110
CO.CCCCCC=O.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005199	A1B15C4	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC=O	MC-0000018446	A37B14C22	110	100	110	110	110
CO.Nc1ccccc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007615	A20B15C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013776	A9B16C16	110	100	110	60.256	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009184	A30B16C9	110	100	110	48.978	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013325	A25B13C15	26.915	100	110	22.909	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000018217	A23B9C22	110	100	110	47.863	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC=O	MC-0000019147	A37B11C23	100	100	29.08	26.303	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000009552	A9B16C10	110	100	110	79.433	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000018959	A25B15C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019408	A9B16C24	110	100	110	53.703	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1	MC-0000004217	A28B9C2	110	100	110	15.488	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013917	A18B13C16	45.709	100	110	40.738	110
CO.Nc1ccccc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014703	A23B15C17	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018392	A34B8C22	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014192	A35B16C16	110	100	110	63.096	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.Nc1cccnc1	MC-0000004742	A17B6C3	110	100	110	110	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000010448	A21B16C11	110	100	110	67.608	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017459	A20B3C21	110	100	110	35.481	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.Nc1ccncc1	MC-0000004724	A16B4C3	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016167	A27B7C19	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1	MC-0000012569	A22B9C14	110	100	110	75.858	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1	MC-0000004046	A17B14C2	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013682	A4B2C16	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016603	A10B11C20	110	100	72.37	43.652	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1	MC-0000004792	A20B8C3	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016238	A31B14C19	110	100	110	110	110
CO.CCCCCC=O.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019268	A1B4C24	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.OCc1ccc(C=O)o1	MC-0000011110	A19B6C12	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].CC(C)CC=O.NC(=N)c1ccc(N)cc1	MC-0000009483	A5B11C10	110	100	58.15	30.903	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000018689	A9B1C23	81.283	100	110	30.903	110
CO.CCOC(=O)C1CC1C=O.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014714	A24B10C17	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008259	A17B3C8	110	100	110	56.234	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017117	A42B13C20	20.417	100	110	33.884	110
CO.CCOC(=O)C1CC1C=O.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015415	A24B7C18	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003511	A28B7C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013090	A11B2C15	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013000	A5B8C15	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1cccs1	MC-0000009956	A35B4C10	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014562	A15B2C17	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=CC1CC1	MC-0000012823	A38B7C14	110	100	110	110	110
CO.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013570	A41B2C15	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].Nc1ccncc1	MC-0000009604	A13B4C10	110	100	110	110	110
CO.Nc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003126	A4B6C1	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007585	A19B1C7	110	100	110	83.176	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000012157	A40B13C13	48.978	100	110	14.125	110
CO.CCOC(=O)C1CC1C=O.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013300	A24B4C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014456	A8B8C17	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016812	A23B12C20	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016070	A21B6C19	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013856	A14B16C16	110	100	110	51.286	110
CO.NCc1ccncc1.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008794	A6B10C9	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008781	A5B13C9	110	100	110	43.652	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006708	A8B4C6	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005552	A23B16C4	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003197	A8B13C1	63.096	100	110	19.498	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018600	A3B8C23	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000011254	A28B6C12	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013071	A9B15C15	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000007255	A42B7C6	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.OCC=O	MC-0000012804	A37B4C14	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016563	A8B3C20	110	100	110	52.481	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000017099	A41B11C20	93.325	100	41.59	30.903	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1	MC-0000018197	A22B5C22	110	100	110	110	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000010000	A37B16C10	110	100	92.89	43.652	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014258	A40B2C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005550	A23B14C4	110	100	110	110	110
CO.COCC[N+]#[C-].CC(=O)C=O.Nc1ccccc1	MC-0000010063	A41B15C10	110	100	110	110	110
Cl.CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011193	A24B9C12	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1	MC-0000018209	A23B1C22	110	100	110	22.387	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008200	A13B8C8	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000009461	A4B5C10	110	100	110	110	110
O.CO.CC(=O)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014286	A41B14C16	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019170	A39B2C23	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015945	A13B9C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013246	A20B14C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005543	A23B7C4	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000019208	A41B8C23	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016114	A24B2C19	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006994	A26B2C6	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018939	A24B11C23	110	100	78.58	110	110
CO.C[N+]#[C-].Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010239	A8B15C11	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017291	A9B11C21	110	100	60.04	41.687	110
Cl.Cl.CO.CC(=O)C=O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019907	A41B3C24	69.183	100	110	22.909	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011352	A34B8C12	110	100	110	110	110
CO.CSCCC=O.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005428	A16B4C4	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016392	A41B8C19	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015718	A43B6C18	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015155	A8B3C18	110	100	110	56.234	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000011782	A17B6C13	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011909	A25B5C13	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013235	A20B3C15	110	100	110	42.658	110
CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000018100	A16B4C22	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000011548	A2B12C13	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCc1ccccc1	MC-0000006382	A31B14C5	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000011199	A24B15C12	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003248	A11B16C1	110	28.6	42.22	51.286	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1ncc[nH]1	MC-0000019034	A30B10C23	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007849	A35B9C7	110	100	110	72.444	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1ccccn1	MC-0000004284	A32B12C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016304	A35B16C19	110	75.2	110	30.903	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1	MC-0000003819	A3B11C2	110	100	63.28	30.2	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007723	A27B11C7	110	100	60.22	30.2	110
CO.CCCCCC=O.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007303	A1B7C7	110	100	110	110	21.878
CO.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016258	A33B2C19	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003670	A38B6C1	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000010429	A20B13C11	42.658	100	110	30.903	110
CO.Nc1ccccc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019503	A15B15C24	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000012857	A40B9C14	110	100	110	40.738	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003348	A18B4C1	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011639	A8B7C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019328	A4B16C24	110	100	110	77.625	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccco1	MC-0000012310	A6B6C14	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc[nH]1	MC-0000006244	A23B4C5	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1	MC-0000018849	A19B1C23	110	100	110	29.512	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003390	A20B14C1	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006061	A11B13C5	57.544	100	99.91	32.359	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015791	A3B15C19	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019704	A28B8C24	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017593	A28B9C21	110	100	110	110	110
Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000006569	A43B9C5	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019948	A43B12C24	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018770	A14B2C23	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009058	A23B2C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009257	A35B9C9	110	100	110	110	110
CO.CCCCCC=O.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016454	A1B6C20	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009383	A43B7C9	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005432	A16B8C4	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015032	A44B8C17	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009090	A25B2C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013992	A23B8C16	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016276	A34B4C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009070	A23B14C9	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005316	A9B4C4	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003377	A20B1C1	60.256	100	110	18.621	110
Cl.CO.CCCCCC=O.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015753	A1B9C19	110	100	110	58.884	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013481	A35B9C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016629	A12B5C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005483	A19B11C4	89.125	100	65.44	38.019	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014285	A41B13C16	42.658	100	110	30.903	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CC1	MC-0000012113	A38B1C13	110	100	110	93.325	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000006615	A2B7C6	110	100	110	110	110
CO.Nc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015350	A20B6C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016473	A2B9C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015208	A11B8C18	110	100	110	110	110
CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000011462	A41B6C12	110	100	110	110	110
O.CO.Nc1ccccc1.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014111	A30B15C16	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000006534	A41B6C5	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013988	A23B4C16	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003420	A22B12C1	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014170	A34B10C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013026	A7B2C15	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000010403	A19B3C11	110	100	110	60.256	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015576	A34B8C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009230	A33B14C9	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016908	A29B12C20	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016437	A44B5C19	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000018535	A43B7C22	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015581	A34B13C18	27.542	100	47.17	24.547	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1	MC-0000018622	A4B14C23	110	100	110	110	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000010176	A4B16C11	110	100	110	64.565	110
CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.Nc1ccncc1	MC-0000007268	A43B4C6	110	100	110	110	110
CO.NCc1ccncc1.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017034	A37B10C20	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006750	A10B14C6	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000004416	A40B16C2	110	59	110	15.488	110
CO.Nc1ccccc1.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016959	A32B15C20	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015784	A3B8C19	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008305	A20B1C8	110	100	110	40.738	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010238	A8B14C11	110	100	110	110	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000018953	A25B9C23	110	100	110	75.858	110
CO.NCc1ccncc1.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017642	A31B10C21	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000004069	A19B5C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000011652	A9B4C13	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009371	A42B11C9	100	100	54.91	32.359	110
O.O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1	MC-0000019032	A30B8C23	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000007112	A33B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017800	A41B8C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003166	A6B14C1	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018006	A10B6C22	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006081	A13B1C5	110	100	110	53.703	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1	MC-0000018088	A15B8C22	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.Nc1ccccc1	MC-0000004751	A17B15C3	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018504	A41B8C22	110	100	110	110	110
O.Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.C=O	MC-0000012219	A44B11C13	85.114	100	31.06	25.119	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007468	A11B12C7	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007944	A41B8C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000008997	A19B5C9	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000004629	A10B5C3	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017570	A27B2C21	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013472	A34B16C15	110	79	110	26.915	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008505	A32B9C8	110	100	110	43.652	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008238	A15B14C8	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=CCc1ccccc1	MC-0000004972	A31B12C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014240	A38B16C16	110	100	110	64.565	110
CO.Nc1ccncc1.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009252	A35B4C9	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=CC1CC1	MC-0000010710	A38B6C11	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017646	A31B14C21	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016614	A11B6C20	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010283	A11B11C11	85.114	100	69.13	28.84	110
CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000018806	A16B6C23	110	100	110	110	110
CO.Nc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015092	A4B4C18	110	100	110	110	110
O.CO.Nc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009175	A30B7C9	110	100	110	110	110
O.O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1	MC-0000004254	A30B14C2	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015266	A15B2C18	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013365	A28B5C15	110	100	110	110	110
CO.Nc1cccnc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007782	A31B6C7	110	100	110	110	110
CO.Nc1ccncc1.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014820	A31B4C17	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016797	A22B13C20	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008515	A33B3C8	110	100	110	51.286	110
CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.Nc1cccnc1	MC-0000012678	A29B6C14	110	100	110	110	110
O.CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018110	A16B14C22	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1	MC-0000009761	A23B1C10	110	100	110	32.359	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015783	A3B7C19	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018051	A13B3C22	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccs1	MC-0000007149	A35B13C6	58.884	100	110	21.878	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014794	A29B10C17	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015778	A3B2C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014237	A38B13C16	56.234	100	110	40.738	110
O.Cl.CO.NCc1cccc(N)c1.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017849	A44B9C21	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006322	A28B2C5	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=CC1CC1	MC-0000010708	A38B4C11	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1	MC-0000018354	A32B2C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018078	A14B14C22	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000018804	A16B4C23	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019893	A40B5C24	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000011094	A18B6C12	110	100	110	110	3.236
Cl.CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000017865	A1B9C22	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003593	A33B9C1	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014935	A38B7C17	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015326	A18B14C18	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1cccs1	MC-0000019116	A35B12C23	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013042	A8B2C15	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015903	A10B15C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000018034	A12B2C22	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011096	A18B8C12	110	100	110	110	2.138
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1	MC-0000011156	A22B4C12	110	100	110	110	2.57
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.Clc1ccc(C=O)cc1	MC-0000010876	A4B12C12	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000003960	A12B8C2	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1	MC-0000009801	A25B9C10	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000018378	A33B10C22	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015935	A12B15C19	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013374	A28B14C15	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000010771	A42B3C11	110	100	110	56.234	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005549	A23B13C4	61.66	100	110	34.674	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008035	A3B3C8	110	100	110	56.234	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009342	A40B14C9	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000019022	A29B14C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016096	A22B16C19	110	58.3	110	25.704	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000012357	A9B5C14	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017487	A21B15C21	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014490	A10B10C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.OCc1ccc(C=O)o1	MC-0000011823	A19B15C13	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000011092	A18B4C12	110	100	110	110	4.266
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005633	A29B1C4	110	100	110	74.131	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000011704	A12B8C13	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1	MC-0000007278	A43B14C6	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009823	A26B15C10	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019374	A7B14C24	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019517	A16B13C24	28.184	100	110	22.909	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017615	A29B15C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000011660	A9B12C13	110	100	110	110	110
CO.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013540	A39B4C15	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1ccco1	MC-0000004574	A6B14C3	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005288	A7B8C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000011943	A27B7C13	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016072	A21B8C19	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018637	A5B13C23	58.884	100	110	32.359	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000007251	A42B3C6	110	100	110	60.256	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1	MC-0000018910	A22B14C23	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008862	A10B14C9	110	100	110	110	110
CO.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015866	A8B10C19	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014895	A35B15C17	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003536	A29B16C1	110	100	110	50.119	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011214	A25B14C12	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.Nc1ccncc1	MC-0000010084	A43B4C10	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011893	A24B5C13	110	100	110	110	110
CO.CCCCCC=O.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007306	A1B10C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019390	A8B14C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008165	A11B5C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017762	A39B2C21	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018779	A14B11C23	67.608	100	110	39.811	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000012281	A4B9C14	110	100	110	57.544	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.OCc1ccc(C=O)o1	MC-0000011114	A19B10C12	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000011659	A9B11C13	58.884	100	80.38	34.674	110
O.CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000003790	A1B14C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=CCc1ccccc1	MC-0000004260	A31B4C2	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011264	A28B16C12	110	100	110	67.608	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000018288	A27B16C22	110	100	110	40.738	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016963	A33B3C20	110	100	110	51.286	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000018630	A5B6C23	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000016990	A34B14C20	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009251	A35B3C9	110	100	110	45.709	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019438	A11B14C24	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000009537	A9B1C10	110	100	110	57.544	110
CO.NCc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015356	A20B12C18	100	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000009591	A12B7C10	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015982	A15B14C19	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000010298	A12B10C11	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1	MC-0000003983	A13B15C2	110	100	110	110	110
O.CO.Nc1cccc(N)c1.C=O.[C-]#[N+]c1ccccc1	MC-0000017143	A44B7C20	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016196	A29B4C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018966	A26B6C23	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010485	A24B5C11	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012961	A3B1C15	110	100	110	51.286	110
CO.COc1cccc(C=O)c1OC.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008678	A43B6C8	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003454	A24B14C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013112	A12B8C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013278	A22B14C15	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000003909	A9B5C2	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016478	A2B14C20	110	100	110	110	110
Cl.CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000018633	A5B9C23	110	100	110	42.658	110
CO.CC(C)CC=O.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014404	A5B4C17	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015143	A7B7C18	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=CC1CC1	MC-0000010719	A38B15C11	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016431	A43B15C19	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000018815	A16B15C23	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1	MC-0000012761	A34B9C14	110	100	110	35.481	110
CO.CCCCCC=O.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013636	A1B4C16	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004680	A13B8C3	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005298	A8B2C4	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000005915	A2B11C5	110	100	79.57	29.512	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014040	A26B8C16	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015057	A2B1C18	110	100	110	77.625	110
CO.NCc1ccncc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007642	A22B10C7	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.OCc1ccc(C=O)o1	MC-0000010406	A19B6C11	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000012179	A42B3C13	110	100	110	53.703	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCc1ccccc1	MC-0000009902	A31B14C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015712	A42B16C18	110	100	110	56.234	110
CO.CC(=O)C=O.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003717	A41B5C1	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1	MC-0000003822	A3B14C2	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000012371	A10B3C14	110	100	110	63.096	110
Cl.CO.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017673	A33B9C21	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019364	A7B4C24	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000006033	A10B1C5	110	100	110	60.256	110
CO.Nc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005414	A15B6C4	110	100	110	110	110
CO.CSCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015282	A16B2C18	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000012517	A19B5C14	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007703	A26B7C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008937	A15B9C9	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=CC=Cc1ccccc1	MC-0000006207	A20B15C5	110	100	110	110	110
O.Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.C=O	MC-0000005169	A44B1C3	110	100	110	42.658	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1	MC-0000006231	A22B7C5	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N	MC-0000009793	A25B1C10	110	100	110	69.183	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1ccco1	MC-0000010900	A6B4C12	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014314	A43B10C16	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015776	A2B16C19	110	100	110	52.481	110
CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000011103	A18B15C12	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CCCCC1	MC-0000018189	A21B13C22	38.019	100	110	100	110
CO.CC(=O)C=O.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017798	A41B6C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017253	A7B5C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017344	A12B16C21	110	100	110	51.286	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000018229	A24B5C22	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006280	A25B8C5	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007921	A40B1C7	75.858	100	110	33.884	110
CO.C[N+]#[C-].Nc1ccncc1.OCc1ccc(C=O)o1	MC-0000010404	A19B4C11	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1	MC-0000012072	A35B8C13	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007344	A3B16C7	110	100	110	91.201	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013557	A40B5C15	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014836	A32B4C17	110	100	110	110	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017433	A18B9C21	110	100	110	87.096	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=CC1CCCCC1	MC-0000012550	A21B6C14	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019649	A25B1C24	51.286	100	110	29.512	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.NCc1ccc(N)cc1	MC-0000005125	A41B5C3	110	100	110	91.201	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013894	A17B6C16	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccs1	MC-0000018401	A35B1C22	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014527	A12B15C17	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccco1	MC-0000018645	A6B5C23	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014841	A32B9C17	110	100	110	18.197	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000012381	A10B13C14	37.154	100	110	47.863	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017605	A29B5C21	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009397	A44B5C9	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1	MC-0000011864	A22B8C13	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015485	A28B13C18	40.738	100	110	23.988	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008839	A9B7C9	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008543	A34B15C8	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013949	A20B13C16	38.019	100	87.85	34.674	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000012208	A43B16C13	110	100	110	60.256	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016795	A22B11C20	110	100	66.79	30.2	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003614	A34B14C1	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O	MC-0000011342	A33B14C12	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016679	A15B7C20	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016193	A29B1C19	60.256	100	110	25.119	110
CO.C[N+]#[C-].NCc1ccncc1.OCC=O	MC-0000010698	A37B10C11	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017409	A17B1C21	110	100	110	47.863	110
CO.Nc1cccc(N)c1.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016247	A32B7C19	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1	MC-0000004014	A15B14C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017392	A15B16C21	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000006071	A12B7C5	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017295	A9B15C21	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016952	A32B8C20	110	100	110	110	110
CO.Nc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016966	A33B6C20	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000004653	A11B13C3	72.444	100	99.91	66.069	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000006166	A18B6C5	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005292	A7B12C4	110	100	110	110	110
O.Cl.CO.NCc1cccc(N)c1.C=O.[C-]#[N+]c1ccccc1	MC-0000017145	A44B9C20	110	100	110	33.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014235	A38B11C16	91.201	100	47.8	31.623	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015390	A22B14C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013842	A14B2C16	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007441	A10B1C7	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013383	A29B7C15	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000018380	A33B12C22	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007536	A15B16C7	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011469	A41B13C12	57.544	100	110	25.119	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018266	A26B10C22	110	100	110	110	110
CO.CCCCCC=O.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019266	A1B2C24	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017769	A39B9C21	110	100	110	87.096	110
CO.CCCCCC=O.C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010117	A1B5C11	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000017869	A1B13C22	31.623	100	110	36.308	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013669	A3B5C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017237	A6B5C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.OCC=O	MC-0000012106	A37B10C13	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000007253	A42B5C6	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017534	A24B14C21	110	100	110	110	110
O.CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000010581	A30B5C11	110	100	110	110	110
CO.Nc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014630	A19B6C17	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1	MC-0000005014	A34B6C3	110	100	110	110	110
CO.Nc1ccncc1.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017636	A31B4C21	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015239	A13B7C18	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008441	A28B9C8	110	100	110	64.565	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N	MC-0000004033	A17B1C2	22.909	100	110	4.074	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc2ccccc2c1	MC-0000018047	A12B15C22	110	100	110	110	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015025	A44B1C17	110	100	110	25.704	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006724	A9B4C6	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008404	A26B4C8	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1	MC-0000009960	A35B8C10	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009038	A21B14C9	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006999	A26B7C6	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CC1	MC-0000012114	A38B2C13	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.Clc1ccc(C=O)cc1	MC-0000003834	A4B10C2	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014574	A15B14C17	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008278	A18B6C8	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000003876	A7B4C2	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=CC1CCCCC1	MC-0000006218	A21B10C5	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007855	A35B15C7	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019637	A24B5C24	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014816	A30B16C17	110	100	54.1	52.481	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000006406	A33B6C5	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007533	A15B13C7	53.703	100	110	37.154	110
O.CO.NCc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014812	A30B12C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014933	A38B5C17	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016497	A4B1C20	110	100	110	91.201	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016781	A21B13C20	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016838	A25B6C20	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1C=O	MC-0000006524	A40B12C5	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.Clc1ccc(C=O)cc1	MC-0000018623	A4B15C23	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=CCc1ccccc1	MC-0000007082	A31B10C6	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1cccs1	MC-0000012783	A35B15C14	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000015023	A43B15C17	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013075	A10B3C15	110	100	110	40.738	110
Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008265	A17B9C8	110	100	110	69.183	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004596	A8B4C3	110	100	110	110	110
CO.Nc1ccccc1.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013871	A15B15C16	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016424	A43B8C19	110	100	110	110	110
CO.CSCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013874	A16B2C16	110	92.3	110	23.442	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016791	A22B7C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007534	A15B14C7	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011435	A39B11C12	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000010659	A35B3C11	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000019246	A43B14C23	110	100	110	110	110
CO.CCCCCC=O.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015749	A1B5C19	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010481	A24B1C11	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018993	A28B1C23	110	100	110	64.565	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015214	A11B14C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016081	A22B1C19	28.84	100	96.04	24.547	110
CO.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019391	A8B15C24	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018386	A34B2C22	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008796	A6B12C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013101	A11B13C15	70.795	100	61.57	30.2	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000011661	A9B13C13	33.113	100	110	24.547	110
CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O	MC-0000007026	A28B2C6	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016346	A38B10C19	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014347	A1B11C17	56.234	100	46.18	15.136	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=CC1CC1	MC-0000008599	A38B7C8	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019277	A1B13C24	39.811	100	99.82	19.055	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.OCC=O	MC-0000004358	A37B6C2	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1	MC-0000004562	A6B2C3	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005843	A42B3C4	110	100	110	47.863	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016089	A22B9C19	110	100	110	60.256	110
O.CO.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013758	A8B14C16	110	100	110	110	110
O.CO.Nc1ccncc1.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007988	A44B4C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014944	A38B16C17	110	100	110	110	110
O.CO.Nc1cccnc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016214	A30B6C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016537	A6B9C20	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000004563	A6B3C3	110	100	110	34.674	110
CO.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007415	A8B7C7	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006027	A9B11C5	45.709	100	110	85.114	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004894	A26B14C3	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000003831	A4B7C2	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012996	A5B4C15	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011271	A29B7C12	110	100	110	110	110
O.Cl.CO.NCc1cccc(N)c1.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014329	A44B9C16	110	100	110	79.433	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016637	A12B13C20	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013715	A6B3C16	110	100	110	60.256	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008269	A17B13C8	48.978	100	110	30.2	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012628	A26B4C14	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000006699	A7B11C6	110	100	76.06	30.903	110
CO.CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016642	A13B2C20	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000011411	A38B3C12	110	100	110	57.544	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1ccccc1	MC-0000004823	A22B7C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008352	A22B16C8	110	100	110	66.069	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014811	A30B11C17	110	100	68.23	38.019	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013828	A13B4C16	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000009721	A20B9C10	110	100	110	39.811	110
CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1	MC-0000007036	A28B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.OCc1ccc(C=O)o1	MC-0000006884	A19B4C6	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017611	A29B11C21	66.069	100	32.77	38.905	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019897	A40B9C24	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000011171	A23B3C12	110	100	110	33.884	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008102	A7B6C8	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1	MC-0000011118	A19B14C12	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003730	A42B2C1	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000018179	A21B3C22	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009217	A33B1C9	110	100	110	45.709	110
CO.CC(C)CC=O.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015815	A5B7C19	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1	MC-0000011160	A22B8C12	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016844	A25B12C20	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000012050	A34B2C13	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019393	A9B1C24	40.738	100	110	38.019	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000010984	A11B8C12	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014065	A28B1C16	110	100	110	46.774	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009167	A29B15C9	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015706	A42B10C18	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008673	A43B1C8	110	100	110	50.119	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019175	A39B7C23	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016884	A28B4C20	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011740	A14B12C13	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007478	A12B6C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019680	A26B16C24	110	100	110	34.674	110
O.CO.CCCCCC=O.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000012238	A1B14C14	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019663	A25B15C24	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005331	A10B3C4	110	100	110	63.096	110
O.CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1	MC-0000012270	A3B14C14	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008747	A3B11C9	97.724	100	62.83	34.674	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000017925	A5B5C22	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000006675	A6B3C6	110	100	110	60.256	110
CO.CCCCCC=O.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015759	A1B15C19	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC=O	MC-0000009985	A37B1C10	87.096	100	110	28.184	110
CO.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015862	A8B6C19	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccn1	MC-0000007099	A32B11C6	110	100	81.19	47.863	110
CO.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007938	A41B2C7	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017695	A34B15C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015278	A15B14C18	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016103	A23B7C19	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008291	A19B3C8	110	100	110	44.668	110
CO.Nc1cccnc1.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009030	A21B6C9	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015424	A24B16C18	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016644	A13B4C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013947	A20B11C16	45.709	100	62.92	35.481	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016284	A34B12C19	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000011829	A20B5C13	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008886	A12B6C9	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014722	A25B2C17	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013018	A6B10C15	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003309	A15B13C1	110	100	110	30.2	110
CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.Nc1cccnc1	MC-0000012902	A43B6C14	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1ncc[nH]1	MC-0000004954	A30B10C3	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007207	A39B7C6	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000009703	A19B7C10	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000006345	A29B9C5	110	100	110	54.954	110
CO.Nc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013110	A12B6C15	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1	MC-0000004136	A23B8C2	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016804	A23B4C20	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008340	A22B4C8	110	100	110	110	110
CO.NCc1ccncc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015802	A4B10C19	110	100	110	110	110
CO.CSCCC=O.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005430	A16B6C4	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011467	A41B11C12	58.884	100	31.15	25.704	110
CO.C[N+]#[C-].NCc1ccncc1.O=CC=Cc1ccccc1	MC-0000010426	A20B10C11	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015154	A8B2C18	110	100	110	110	110
CO.NCc1cccnc1.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017036	A37B12C20	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007552	A16B16C7	110	100	110	40.738	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1	MC-0000006940	A22B12C6	110	100	110	110	110
O.Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.C=O	MC-0000012921	A44B9C14	110	100	110	46.774	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015170	A9B2C18	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006805	A14B5C6	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000012040	A33B8C13	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000011155	A22B3C12	110	100	110	67.608	110
CO.NCc1cccnc1.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017644	A31B12C21	110	100	110	110	110
CO.Nc1ccncc1.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016932	A31B4C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013997	A23B13C16	74.131	100	78.13	16.596	110
CO.NCc1ccncc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016042	A19B10C19	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.NC(=N)c1ccc(N)cc1	MC-0000005131	A41B11C3	110	100	39.97	27.542	110
CO.COCC[N+]#[C-].Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010031	A39B15C10	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1	MC-0000004104	A21B8C2	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010931	A8B3C12	110	100	110	75.858	110
CO.Nc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009060	A23B4C9	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008283	A18B11C8	100	100	63.73	34.674	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CC(C)CC=O.NC(=N)c1cccc(N)c1	MC-0000006669	A5B13C6	79.433	100	110	34.674	110
CO.NCc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016474	A2B10C20	110	100	110	110	110
O.CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000009879	A30B7C10	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015517	A30B13C18	83.176	100	110	33.884	110
O.CO.CCCCCC=O.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010120	A1B8C11	110	100	110	110	110
CO.CCCC[N+]#[C-].CSCCC=O.NC(CCCNC(=N)N)C(=O)O	MC-0000012466	A16B2C14	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018098	A16B2C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1	MC-0000018178	A21B2C22	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008648	A41B8C8	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000011623	A7B7C13	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000004245	A30B5C2	110	100	110	110	110
CO.CCCCCC=O.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008708	A1B4C9	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000010300	A12B12C11	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015797	A4B5C19	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008749	A3B13C9	110	100	110	31.623	110
CO.Nc1cccnc1.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016246	A32B6C19	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000017892	A3B4C22	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016378	A40B10C19	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019660	A25B12C24	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1	MC-0000012485	A17B5C14	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1ncc[nH]1	MC-0000019030	A30B6C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018972	A26B12C23	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005388	A13B12C4	110	100	110	110	110
CO.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014274	A41B2C16	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1cccnc1	MC-0000006860	A17B12C6	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013297	A24B1C15	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010025	A39B9C10	110	100	110	72.444	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=CC1CC1	MC-0000018454	A38B6C22	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000009463	A4B7C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013360	A27B16C15	110	100	110	40.738	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008672	A42B16C8	110	100	110	64.565	110
Cl.CO.NCc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007593	A19B9C7	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019681	A27B1C24	79.433	100	110	10.233	110
O.CO.CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000014542	A13B14C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008802	A7B2C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017502	A22B14C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005733	A35B5C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008918	A14B6C9	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013464	A34B8C15	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000009543	A9B7C10	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006720	A8B16C6	110	100	110	70.795	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=CC1CC1	MC-0000005077	A38B5C3	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009631	A14B15C10	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000019222	A42B6C23	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000010473	A23B9C11	110	100	110	50.119	110
CO.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014949	A39B5C17	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005555	A24B3C4	110	100	110	45.709	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1	MC-0000012564	A22B4C14	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015073	A3B1C18	110	100	110	64.565	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000012738	A33B2C14	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000007272	A43B8C6	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010369	A17B1C11	110	100	110	51.286	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000017891	A3B3C22	110	100	110	50.119	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000017888	A2B16C22	110	100	110	67.608	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008988	A18B12C9	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CC1	MC-0000019166	A38B14C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015408	A23B16C18	110	100	110	38.905	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015922	A12B2C19	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000003956	A12B4C2	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016273	A34B1C19	95.499	100	110	23.442	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1	MC-0000004525	A3B13C3	66.069	100	110	20.417	110
CO.CSCCC=O.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000006143	A16B15C5	110	100	110	110	110
O.Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000010585	A30B9C11	110	100	110	70.795	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008464	A29B16C8	110	100	110	43.652	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014492	A10B12C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005842	A42B2C4	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016635	A12B11C20	79.433	100	49.87	30.2	110
CO.NCc1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007525	A15B5C7	110	100	110	110	110
O.CO.CC(=O)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000017102	A41B14C20	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010226	A8B2C11	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000006087	A13B7C5	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009114	A26B10C9	110	100	110	110	110
CO.CSCCC=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007541	A16B5C7	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016283	A34B11C19	75.858	100	35.47	25.704	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009816	A26B8C10	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1ccccc1C=O	MC-0000005110	A40B6C3	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009122	A27B2C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000008994	A19B2C9	110	100	110	110	110
CO.Nc1ccccc1.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007887	A37B15C7	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000012195	A43B3C13	110	100	110	79.433	110
CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O	MC-0000007266	A43B2C6	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006418	A34B2C5	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006802	A14B2C6	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000011952	A27B16C13	110	100	110	36.308	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000012160	A40B16C13	110	100	110	58.884	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008277	A18B5C8	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007519	A14B15C7	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008647	A41B7C8	110	100	110	110	110
CO.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015868	A8B12C19	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1	MC-0000011848	A21B8C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=CC1CCCCC1	MC-0000011844	A21B4C13	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000012003	A31B3C13	110	100	110	54.954	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011440	A39B16C12	110	100	110	74.131	110
CO.NCc1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008933	A15B5C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007598	A19B14C7	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014711	A24B7C17	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].Nc1cccc(N)c1	MC-0000010311	A13B7C11	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014962	A40B2C17	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008721	A2B1C9	110	100	110	60.256	110
CO.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017826	A43B2C21	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016568	A8B8C20	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006803	A14B3C6	110	100	110	70.795	110
O.CO.NCc1cccnc1.C=O.[C-]#[N+]c1ccccc1	MC-0000017148	A44B12C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014047	A26B15C16	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000019021	A29B13C23	43.652	100	110	22.909	110
CO.C[N+]#[C-].NCc1cccnc1.OCC=O	MC-0000010700	A37B12C11	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016224	A30B16C19	53.703	35	110	23.442	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000011967	A28B15C13	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013729	A7B1C16	110	100	110	40.738	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016419	A43B3C19	110	100	110	18.197	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005421	A15B13C4	47.863	88.5	110	46.774	110
CO.Nc1ccccc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014159	A33B15C16	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000012207	A43B15C13	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006291	A26B3C5	110	100	110	67.608	110
CO.CCOC(=O)C1CC1C=O.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019647	A24B15C24	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015879	A9B7C19	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010363	A16B11C11	110	100	110	79.433	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1	MC-0000003813	A3B5C2	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010285	A11B13C11	46.774	100	110	38.019	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008387	A25B3C8	110	100	110	64.565	110
Cl.CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].NCc1cccc(N)c1	MC-0000010489	A24B9C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1C=O	MC-0000010746	A40B10C11	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017692	A34B12C21	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].Nc1cccnc1	MC-0000007046	A29B6C6	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000004976	A31B16C3	110	100	110	61.66	110
CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000010852	A3B4C12	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC=O	MC-0000012097	A37B1C13	100	100	110	57.544	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016785	A22B1C20	110	100	110	64.565	110
Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008681	A43B9C8	110	100	110	81.283	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018944	A24B16C23	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005778	A38B2C4	110	100	110	79.433	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014091	A29B11C16	28.184	100	65.08	24.547	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017736	A37B8C21	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000019234	A43B2C23	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011525	A1B5C13	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007644	A22B12C7	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019652	A25B4C24	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005617	A28B1C4	110	100	110	33.113	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011257	A28B9C12	110	100	110	72.444	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004872	A25B8C3	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016015	A17B15C19	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007825	A34B1C7	39.811	100	110	1.288	110
O.CO.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017838	A43B14C21	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000018124	A17B12C22	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011806	A18B14C13	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003577	A32B9C1	110	100	110	72.444	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016285	A34B13C19	40.738	89.5	66.07	22.909	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000006951	A23B7C6	110	100	110	110	110
CO.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014454	A8B6C17	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003740	A42B12C1	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012134	A39B6C13	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006107	A14B11C5	57.544	100	86.41	33.884	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014597	A17B5C17	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1	MC-0000009698	A19B2C10	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000011190	A24B6C12	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015395	A23B3C18	110	100	110	30.2	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.OCC=O	MC-0000018437	A37B5C22	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000012275	A4B3C14	110	100	110	38.019	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003709	A40B13C1	34.674	51.4	110	7.079	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000009575	A11B7C10	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013845	A14B5C16	110	100	110	110	110
O.CO.Nc1cccnc1.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003766	A44B6C1	110	100	110	110	110
CO.Nc1ccncc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019572	A20B4C24	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O	MC-0000004206	A27B14C2	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013995	A23B11C16	44.668	100	9.1	19.953	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011889	A24B1C13	110	100	110	36.308	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019725	A29B13C24	32.359	100	66.34	16.218	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000012052	A34B4C13	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1C=O	MC-0000011455	A40B15C12	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1	MC-0000012671	A28B15C14	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000011338	A33B10C12	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016071	A21B7C19	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ncc[nH]1	MC-0000007071	A30B15C6	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1	MC-0000004233	A29B9C2	110	100	110	35.481	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CCCCC1	MC-0000018881	A21B1C23	79.433	100	110	19.953	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.C=O	MC-0000005183	A44B15C3	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007557	A17B5C7	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000018451	A38B3C22	110	100	110	56.234	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1	MC-0000018203	A22B11C22	110	100	87.13	60.256	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005598	A26B14C4	110	100	110	110	110
Cl.CO.COc1cccc(C=O)c1OC.C[N+]#[C-].NCc1cccc(N)c1	MC-0000010793	A43B9C11	110	100	110	87.096	110
Cl.Cl.CO.CC(=O)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014273	A41B1C16	110	100	110	40.738	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019896	A40B8C24	110	100	82.9	110	110
CO.COCC[N+]#[C-].CC(C)CC=O.Nc1cccc(N)c1	MC-0000009479	A5B7C10	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015187	A10B3C18	110	100	110	50.119	110
CO.NCc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016554	A7B10C20	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005580	A25B12C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013015	A6B7C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003154	A6B2C1	110	100	110	110	110
CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000010884	A5B4C12	110	100	110	110	110
CO.Nc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007588	A19B4C7	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015518	A30B14C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019353	A6B9C24	110	100	110	25.704	110
CO.Nc1cccc(N)c1.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005783	A38B7C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015845	A7B5C19	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017375	A14B15C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003680	A38B16C1	110	100	11.53	41.687	110
Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013897	A17B9C16	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013561	A40B9C15	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000011780	A17B4C13	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018719	A10B15C23	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000012859	A40B11C14	110	100	110	43.652	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1	MC-0000012567	A22B7C14	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc2OCOc2c1	MC-0000012191	A42B15C13	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013693	A4B13C16	43.652	100	110	33.113	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008098	A7B2C8	110	100	110	110	110
CO.CSCCC=O.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015284	A16B4C18	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000018310	A29B6C22	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019422	A10B14C24	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019312	A3B16C24	110	100	110	46.774	110
Cl.Cl.CO.C[N+]#[C-].CC(=O)C=O.NC(=N)c1cccc(N)c1	MC-0000010765	A41B13C11	35.481	100	110	24.547	110
CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1	MC-0000004495	A1B15C3	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015853	A7B13C19	33.113	80.8	110	33.113	110
O.CO.CSCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015294	A16B14C18	110	100	110	110	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015505	A30B1C18	100	100	110	38.905	110
CO.Nc1ccccc1.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017663	A32B15C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=CCCc1ccccc1	MC-0000011748	A15B4C13	110	100	110	110	110
CO.Nc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017574	A27B6C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017045	A38B5C20	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014779	A28B11C17	110	100	49.06	26.303	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc[nH]1	MC-0000009766	A23B6C10	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016203	A29B11C19	74.131	100	57.34	24.547	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000018592	A2B16C23	110	100	110	64.565	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015781	A3B5C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014696	A23B8C17	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019634	A24B2C24	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018716	A10B12C23	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016597	A10B5C20	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019601	A22B1C24	28.184	100	110	25.704	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000010135	A2B7C11	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1	MC-0000004120	A22B8C2	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.NCc1ccncc1	MC-0000012682	A29B10C14	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000006723	A9B3C6	110	100	110	58.884	110
O.CO.C[N+]#[C-].NCc1ccncc1.C=O	MC-0000010810	A44B10C11	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019946	A43B10C24	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014529	A13B1C17	77.625	100	110	30.903	110
CO.CCCC[N+]#[C-].Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012836	A39B4C14	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018686	A8B14C23	110	100	110	110	110
Cl.CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1	MC-0000010649	A34B9C11	110	100	110	39.811	110
Cl.CO.CCCCCC=O.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005193	A1B9C4	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015720	A43B8C18	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000018628	A5B4C23	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016116	A24B4C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000017991	A9B7C22	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011360	A34B16C12	110	100	110	38.019	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011224	A26B8C12	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC=O	MC-0000006478	A37B14C5	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(=O)C=O.NCc1ccc(N)cc1	MC-0000007237	A41B5C6	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000017864	A1B8C22	110	100	110	110	110
Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000019241	A43B9C23	110	100	110	27.542	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011080	A17B8C12	110	100	110	110	110
CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O	MC-0000010642	A34B2C11	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015209	A11B9C18	110	100	110	85.114	110
CO.CSCCC=O.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013887	A16B15C16	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000017901	A3B13C22	70.795	100	110	48.978	110
CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010096	A43B16C10	110	100	110	57.544	110
Cl.CO.NCc1cccc(N)c1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015801	A4B9C19	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000012375	A10B7C14	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.Nc1cccc(N)c1	MC-0000010087	A43B7C10	110	100	110	110	110
CO.NCc1cccnc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019580	A20B12C24	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O	MC-0000018494	A40B14C22	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010760	A41B8C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1	MC-0000010458	A22B10C11	110	100	110	110	110
CO.Nc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016756	A20B4C20	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=CC1CC1	MC-0000012117	A38B5C13	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000004229	A29B5C2	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1	MC-0000011314	A32B2C12	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019310	A3B14C24	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015376	A21B16C18	110	100	110	70.795	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000018949	A25B5C23	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019460	A13B4C24	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000006132	A16B4C5	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1	MC-0000009634	A15B2C10	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011439	A39B15C12	110	100	110	110	110
CO.CSCCC=O.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013183	A16B15C15	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003999	A14B15C2	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000012353	A9B1C14	110	100	110	58.884	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013194	A17B10C15	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1	MC-0000011486	A42B14C12	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019736	A30B8C24	110	100	110	110	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013209	A18B9C15	110	100	110	70.795	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006718	A8B14C6	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000012033	A33B1C13	66.069	100	110	46.774	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015313	A18B1C18	110	100	110	52.481	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011267	A29B3C12	110	100	110	70.795	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015301	A17B5C18	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011767	A16B7C13	110	100	110	110	110
CO.CSCCC=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015285	A16B5C18	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016582	A9B6C20	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012436	A14B4C14	110	100	110	110	110
O.O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1	MC-0000007064	A30B8C6	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011493	A43B5C12	110	100	110	110	110
O.CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1	MC-0000009678	A17B14C10	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016348	A38B12C19	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000003798	A2B6C2	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007371	A5B11C7	110	100	49.69	33.113	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000004497	A2B1C3	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011803	A18B11C13	110	100	49.69	30.903	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000006620	A2B12C6	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014441	A7B9C17	110	100	110	31.623	110
O.CO.NCc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014106	A30B10C16	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012446	A14B14C14	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016482	A3B2C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014034	A26B2C16	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017974	A8B6C22	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009527	A8B7C10	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010861	A3B13C12	75.858	100	110	44.668	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000018831	A17B15C23	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019770	A32B10C24	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=CC1CCCCC1	MC-0000011855	A21B15C13	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015509	A30B5C18	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007751	A29B7C7	110	100	110	110	110
CO.Nc1ccccc1.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008943	A15B15C9	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016705	A17B1C20	110	100	110	50.119	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018264	A26B8C22	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1ncc[nH]1	MC-0000006356	A30B4C5	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016688	A15B16C20	110	100	110	87.096	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017283	A9B3C21	110	100	110	61.66	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016800	A22B16C20	110	100	110	63.096	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006747	A10B11C6	110	100	66.43	35.481	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000017860	A1B4C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018004	A10B4C22	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014594	A17B2C17	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008241	A16B1C8	100	100	110	51.286	110
CO.COCC[N+]#[C-].CC(=O)C=O.Nc1cccc(N)c1	MC-0000010055	A41B7C10	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000004626	A10B2C3	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003756	A43B12C1	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010728	A39B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1	MC-0000018168	A20B8C22	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013367	A28B7C15	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019548	A18B12C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014229	A38B5C16	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.Clc1ccc(C=O)cc1	MC-0000009468	A4B12C10	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013931	A19B11C16	60.256	100	43.3	34.674	110
Cl.CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1	MC-0000012489	A17B9C14	110	100	110	79.433	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1	MC-0000011880	A23B8C13	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000018836	A18B4C23	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016292	A35B4C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014829	A31B13C17	26.915	71.3	64.36	33.113	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N	MC-0000012609	A25B1C14	110	100	110	70.795	110
Cl.Cl.CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000017859	A1B3C22	110	100	110	41.687	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015315	A18B3C18	110	100	110	61.66	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005872	A43B16C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000018656	A6B16C23	110	100	110	41.687	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019282	A2B2C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013432	A32B8C15	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000012203	A43B11C13	93.325	100	50.5	33.884	110
CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1	MC-0000012268	A3B12C14	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015670	A40B6C18	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCc1ccccc1	MC-0000012718	A31B14C14	110	100	110	110	110
CO.Nc1cccnc1.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015622	A37B6C18	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000011168	A22B16C12	110	100	110	61.66	110
CO.NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014357	A2B5C17	110	100	110	110	110
O.CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008479	A30B15C8	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019551	A18B15C24	110	100	110	110	110
CO.NCc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014060	A27B12C16	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015708	A42B12C18	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019635	A24B3C24	110	100	110	34.674	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005469	A18B13C4	35.481	80.5	110	36.308	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1	MC-0000004114	A22B2C2	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010261	A10B5C11	110	100	110	110	110
CO.NCc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008762	A4B10C9	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003520	A28B16C1	110	100	9.19	51.286	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018724	A11B4C23	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007603	A20B3C7	95.499	100	110	7.943	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000003917	A9B13C2	9.12	21	83.62	7.244	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=CCCc1ccccc1	MC-0000004005	A15B5C2	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.OCC(O)C(O)CC=O	MC-0000012655	A27B15C14	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016710	A17B6C20	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015695	A41B15C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014498	A11B2C17	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006274	A25B2C5	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000012752	A33B16C14	110	100	110	41.687	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.OCC=O	MC-0000007175	A37B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=CC1CC1	MC-0000007190	A38B6C6	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013462	A34B6C15	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016079	A21B15C19	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017043	A38B3C20	110	100	110	47.863	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000012888	A42B8C14	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013621	A44B5C15	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011266	A29B2C12	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000011541	A2B5C13	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.OCC=O	MC-0000006473	A37B9C5	110	100	110	15.136	110
CO.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016018	A18B2C19	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000004621	A9B13C3	12.882	58.8	110	38.019	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000010213	A7B5C11	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019378	A8B2C24	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015582	A34B14C18	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000010999	A12B7C12	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014087	A29B7C16	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016200	A29B8C19	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000018138	A18B10C22	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019934	A42B14C24	110	100	110	110	110
CO.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017062	A39B6C20	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000005989	A7B5C5	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccco1	MC-0000010197	A6B5C11	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008766	A4B14C9	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000019236	A43B4C23	110	100	110	110	110
CO.NCc1cccnc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015804	A4B12C19	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000009560	A10B8C10	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003602	A34B2C1	110	100	110	110	110
O.CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000009877	A30B5C10	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000004089	A20B9C2	110	100	110	33.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015851	A7B11C19	79.433	100	77.14	40.738	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015329	A19B1C18	110	100	110	45.709	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006500	A39B4C5	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016065	A21B1C19	43.652	100	110	33.113	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000006744	A10B8C6	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013419	A31B11C15	44.668	100	78.04	58.884	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017368	A14B8C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015389	A22B13C18	35.481	100	110	38.019	110
CO.Nc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013942	A20B6C16	110	100	110	110	110
CO.NCc1cccnc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016044	A19B12C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014638	A19B14C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009333	A40B5C9	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013670	A3B6C16	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005383	A13B7C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014290	A42B2C16	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017338	A12B10C21	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013214	A18B14C15	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016953	A32B9C20	110	100	110	72.444	110
CO.NCc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016476	A2B12C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017026	A37B2C20	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013696	A4B16C16	110	100	110	63.096	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015617	A37B1C18	72.444	100	110	33.884	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014775	A28B7C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000011408	A37B16C12	110	100	99.91	50.119	110
Cl.CO.NCc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017209	A4B9C21	110	100	110	57.544	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004385	A39B1C2	5.754	83.1	110	10.965	110
CO.CC(=O)C=O.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003719	A41B7C1	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.OCC=O	MC-0000009993	A37B9C10	110	100	110	25.119	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006003	A8B3C5	110	100	110	50.119	110
CO.Nc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017670	A33B6C21	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005767	A37B7C4	110	100	110	110	110
O.CO.Nc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013396	A30B4C15	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006344	A29B8C5	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006529	A41B1C5	110	100	110	34.674	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018025	A11B9C22	110	100	91.36	77.625	110
O.CO.CSCCC=O.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008254	A16B14C8	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016380	A40B12C19	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014373	A3B5C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014472	A9B8C17	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000010469	A23B5C11	110	100	110	110	110
CO.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013759	A8B15C16	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018472	A39B8C22	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013812	A12B4C16	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000010854	A3B6C12	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000012535	A20B7C14	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008169	A11B9C8	110	100	110	75.858	110
CO.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019388	A8B12C24	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011600	A5B16C13	110	100	110	72.444	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000010834	A2B2C12	110	100	110	110	110
CO.Nc1ccccc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015359	A20B15C18	110	100	110	110	110
O.CO.NCc1ccncc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019738	A30B10C24	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000018861	A19B13C23	33.884	100	47.35	25.704	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000011569	A4B1C13	110	100	110	52.481	110
CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000011471	A41B15C12	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1	MC-0000010453	A22B5C11	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1	MC-0000004151	A24B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1	MC-0000004316	A34B12C2	110	100	110	89.125	110
Cl.CO.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016361	A39B9C19	110	100	110	20.893	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000018572	A1B12C23	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017624	A30B8C21	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1ccccn1	MC-0000004980	A32B4C3	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000018721	A11B1C23	110	100	51.94	54.954	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009067	A23B11C9	79.433	100	58.51	24.547	110
CO.NCc1ccncc1.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003402	A21B10C1	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005100	A39B12C3	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017813	A42B5C21	110	100	110	110	110
CO.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003686	A39B6C1	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019172	A39B4C23	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O	MC-0000004162	A25B2C2	110	100	110	110	110
O.CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1	MC-0000010654	A34B14C11	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCCc1ccccc1	MC-0000006829	A15B13C6	52.481	89.3	110	38.019	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017418	A17B10C21	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009116	A26B12C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019362	A7B2C24	110	100	110	110	110
O.CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004488	A1B8C3	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019354	A6B10C24	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009091	A25B3C9	110	100	110	50.119	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019437	A11B13C24	61.66	100	59.32	33.113	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000004195	A27B3C2	110	100	110	26.303	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013707	A5B11C16	100	100	46.72	30.2	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016859	A26B11C20	110	100	83.62	32.359	110
Cl.CO.COCC[N+]#[C-].CC(=O)C=O.NCc1cccc(N)c1	MC-0000010057	A41B9C10	110	100	110	25.119	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O	MC-0000019192	A40B8C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.Clc1ccc(C=O)cc1	MC-0000018620	A4B12C23	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006993	A26B1C6	110	100	110	42.658	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015058	A2B2C18	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000010173	A4B13C11	51.286	100	110	30.903	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000009426	A2B2C10	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000007107	A33B3C6	110	100	110	64.565	110
CO.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019906	A41B2C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014827	A31B11C17	61.66	100	49.6	38.019	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000012043	A33B11C13	83.176	100	42.58	31.623	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000009921	A33B1C10	110	100	110	60.256	110
O.O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1	MC-0000012702	A30B14C14	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019781	A33B5C24	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014031	A25B15C16	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000018045	A12B13C22	12.589	100	95.23	28.184	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013857	A15B1C16	47.863	100	110	43.652	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccn1	MC-0000011325	A32B13C12	30.2	100	110	22.387	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019527	A17B7C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016623	A11B15C20	110	100	99.91	110	110
Cl.CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1	MC-0000004489	A1B9C3	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000018921	A23B9C23	110	100	110	56.234	110
CO.NCc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013114	A12B10C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013416	A31B8C15	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.OCC(O)C(O)CC=O	MC-0000004900	A27B4C3	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.NC(=O)c1ccc(N)nc1	MC-0000003854	A5B14C2	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018677	A8B5C23	110	100	110	110	110
CO.Nc1ccncc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015524	A31B4C18	110	100	110	110	110
CO.Nc1ccccc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007791	A31B15C7	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.Nc1ccccc1	MC-0000012687	A29B15C14	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009206	A32B6C9	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013205	A18B5C15	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.C=O	MC-0000018551	A44B7C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000018621	A4B13C23	26.915	100	110	20.893	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=CCc1ccccc1	MC-0000004967	A31B7C3	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=CC1CC1	MC-0000008595	A38B3C8	110	100	110	46.774	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC=O	MC-0000012801	A37B1C14	110	100	110	31.623	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003085	A1B13C1	35.481	79.8	99.91	16.982	110
Cl.CO.NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008729	A2B9C9	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017552	A25B16C21	110	100	110	81.283	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1	MC-0000009490	A6B2C10	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000018701	A9B13C23	0.437	76.4	23.23	28.184	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017785	A40B9C21	110	100	110	110	110
CO.CSCCC=O.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015996	A16B12C19	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccn1	MC-0000012727	A32B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000012560	A21B16C14	110	100	110	53.703	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014813	A30B13C17	74.131	100	110	28.184	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.OCc1ccc(C=O)o1	MC-0000011818	A19B10C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014304	A42B16C16	110	100	110	48.978	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000019075	A33B3C23	110	100	110	20.893	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.NCc1ccc(N)cc1	MC-0000004021	A16B5C2	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009082	A24B10C9	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC=O	MC-0000012802	A37B2C14	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007625	A21B9C7	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1	MC-0000011362	A35B2C12	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CC1	MC-0000004369	A38B1C2	25.119	100	110	5.129	110
CO.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015717	A43B5C18	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011358	A34B14C12	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015570	A34B2C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016101	A23B5C19	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017434	A18B10C21	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1	MC-0000018888	A21B8C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019792	A33B16C24	110	100	110	36.308	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011586	A5B2C13	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005854	A42B14C4	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.OCC=O	MC-0000006468	A37B4C5	110	100	110	110	110
Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000018233	A24B9C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018076	A14B12C22	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010017	A39B1C10	110	100	110	57.544	110
O.CO.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016878	A27B14C20	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015766	A2B6C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018015	A10B15C22	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013875	A16B3C16	110	100	110	66.069	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018473	A39B9C22	110	100	110	74.131	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016433	A44B1C19	85.114	100	110	17.378	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=CCc1ccccc1	MC-0000009900	A31B12C10	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011921	A26B1C13	110	100	110	38.905	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000004657	A12B1C3	61.66	100	110	24.547	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008559	A35B15C8	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013461	A34B5C15	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014104	A30B8C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019381	A8B5C24	110	100	110	110	110
Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013609	A43B9C15	110	100	110	77.625	110
Cl.Cl.CO.CSCCC=O.C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010365	A16B13C11	45.709	100	99.91	30.903	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000011989	A30B5C13	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015342	A19B14C18	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012973	A3B13C15	61.66	100	110	25.119	110
CO.Nc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003382	A20B6C1	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=CC1CC1	MC-0000010713	A38B9C11	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000018577	A2B1C23	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1	MC-0000010460	A22B12C11	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000017132	A43B12C20	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017979	A8B11C22	110	100	85.33	30.903	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014077	A28B13C16	25.704	100	110	29.512	110
CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000011468	A41B12C12	110	100	110	110	110
CO.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016565	A8B5C20	110	100	110	110	110
O.CO.Nc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005654	A30B6C4	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013310	A24B14C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015954	A14B2C19	110	100	110	110	110
CO.CCCCCC=O.COCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000009413	A1B5C10	110	100	110	110	110
CO.NCc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014394	A4B10C17	110	100	110	110	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000012167	A41B7C13	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009113	A26B9C9	110	100	110	110	110
Cl.CO.CC(C)CC=O.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019337	A5B9C24	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018832	A17B16C23	110	100	110	46.774	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccn1	MC-0000012729	A32B9C14	110	100	110	60.256	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000011539	A2B3C13	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016184	A28B8C19	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005690	A32B10C4	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017361	A14B1C21	85.114	100	110	41.687	110
Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000018937	A24B9C23	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016556	A7B12C20	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013105	A12B1C15	110	100	110	35.481	110
CO.NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019402	A9B10C24	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000004640	A10B16C3	110	100	110	64.565	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013522	A38B2C15	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000018514	A42B2C22	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010549	A28B5C11	110	100	110	110	110
O.CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000012695	A30B7C14	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008121	A8B9C8	110	100	110	91.201	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1	MC-0000018322	A30B2C22	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000010863	A3B15C12	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008131	A9B3C8	110	100	110	53.703	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017315	A11B3C21	110	100	43.03	54.954	110
CO.NCc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008732	A2B12C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=CC1CC1	MC-0000008594	A38B2C8	110	100	110	110	110
CO.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005308	A8B12C4	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008677	A43B5C8	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016210	A30B2C19	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].NCc1cccc(N)c1	MC-0000010569	A29B9C11	110	100	110	69.183	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010557	A28B13C11	81.283	100	110	22.387	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.OCC(O)C(O)CC=O	MC-0000004906	A27B10C3	110	100	110	110	110
CO.Nc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003302	A15B6C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008290	A19B2C8	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000003872	A6B16C2	110	100	110	12.882	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013867	A15B11C16	97.724	100	72.64	51.286	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014147	A33B3C16	110	100	110	63.096	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000012364	A9B12C14	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007582	A18B14C7	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=CCCc1ccccc1	MC-0000004713	A15B9C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016352	A38B16C19	110	100	110	25.704	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008488	A31B8C8	110	100	110	110	110
CO.Nc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015335	A19B7C18	110	100	110	110	110
O.Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000012691	A30B3C14	110	100	110	43.652	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017413	A17B5C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000017882	A2B10C22	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013921	A19B1C16	110	100	110	32.359	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007922	A40B2C7	110	100	110	110	110
CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000010828	A1B12C12	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013102	A11B14C15	110	100	96.94	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.NCc1cccnc1	MC-0000012684	A29B12C14	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011015	A13B7C12	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015578	A34B10C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008418	A27B2C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016245	A32B5C19	110	100	110	110	110
CO.Nc1ccccc1.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005423	A15B15C4	110	100	110	110	110
CO.CC(=O)C=O.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015692	A41B12C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005729	A35B1C4	110	100	110	61.66	110
CO.NCc1ccncc1.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003658	A37B10C1	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000007056	A29B16C6	110	100	110	58.884	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018733	A11B13C23	44.668	100	36.55	33.884	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017080	A40B8C20	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017604	A29B4C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014295	A42B7C16	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005717	A34B5C4	110	100	110	63.096	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013892	A17B4C16	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008204	A13B12C8	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017238	A6B6C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000011650	A9B2C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccco1	MC-0000011607	A6B7C13	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017733	A37B5C21	110	100	110	110	110
O.O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.C=O	MC-0000011518	A44B14C12	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000004583	A7B7C3	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019465	A13B9C24	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019795	A34B3C24	110	100	76.87	22.909	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006036	A10B4C5	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010251	A9B11C11	36.308	100	110	52.481	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015264	A14B16C18	110	100	110	54.954	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006334	A28B14C5	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014011	A24B11C16	110	100	59.5	56.234	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008407	A26B7C8	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018097	A16B1C22	110	100	110	67.608	110
CO.CC(=O)C=O.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015690	A41B10C18	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000011653	A9B5C13	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010334	A14B14C11	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015544	A32B8C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017637	A31B5C21	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005103	A39B15C3	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007614	A20B14C7	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008151	A10B7C8	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1	MC-0000005013	A34B5C3	110	100	110	75.858	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017505	A23B1C21	110	100	110	43.652	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006321	A28B1C5	110	100	110	53.703	110
CO.CCCC[N+]#[C-].NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012348	A8B12C14	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000012045	A33B13C13	48.978	100	110	29.512	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1	MC-0000006938	A22B10C6	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011912	A25B8C13	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008067	A5B3C8	110	100	110	46.774	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000019076	A33B4C23	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.Clc1ccc(C=O)cc1	MC-0000004532	A4B4C3	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017686	A34B6C21	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016611	A11B3C20	110	100	72.73	50.119	110
CO.CSCCC=O.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015286	A16B6C18	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000010770	A42B2C11	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015925	A12B5C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005341	A10B13C4	33.113	99.9	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=CC=Cc1ccccc1	MC-0000004788	A20B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.Nc1cccc(N)c1	MC-0000005127	A41B7C3	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000012743	A33B7C14	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019542	A18B6C24	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007206	A39B6C6	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].Nc1cccnc1	MC-0000006966	A24B6C6	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016669	A14B13C20	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1ccccn1	MC-0000004287	A32B15C2	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019772	A32B12C24	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc[nH]1	MC-0000011884	A23B12C13	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017825	A43B1C21	79.433	100	110	51.286	110
CO.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019877	A39B5C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015645	A38B13C18	45.709	100	80.83	32.359	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014020	A25B4C16	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1ccccn1	MC-0000009908	A32B4C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000011620	A7B4C13	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N	MC-0000004913	A28B1C3	110	100	110	46.774	110
Cl.CO.NCc1cccc(N)c1.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003657	A37B9C1	110	100	110	36.308	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.OCC=O	MC-0000009991	A37B7C10	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016420	A43B4C19	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018802	A16B2C23	110	100	110	69.183	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1cccs1	MC-0000019114	A35B10C23	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008400	A25B16C8	110	100	110	52.481	110
CO.NCc1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013013	A6B5C15	110	100	110	110	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000014734	A25B14C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007781	A31B5C7	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015661	A39B13C18	15.488	57.9	63.19	20.893	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019944	A43B8C24	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2	MC-0000003918	A9B14C2	110	100	110	110	110
CO.NCc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007594	A19B10C7	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005386	A13B10C4	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000010218	A7B10C11	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.OCC=O	MC-0000012101	A37B5C13	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014033	A26B1C16	110	100	110	57.544	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000006413	A33B13C5	34.674	24.2	110	20.417	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015872	A8B16C19	110	100	110	33.884	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006037	A10B5C5	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015713	A43B1C18	110	100	110	56.234	110
CO.CSCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014578	A16B2C17	110	100	110	38.905	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017227	A5B11C21	110	100	73.09	37.154	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015240	A13B8C18	110	100	110	110	110
CO.CC(C)CC=O.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017228	A5B12C21	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=CC=Cc1ccccc1	MC-0000006196	A20B4C5	110	100	110	110	110
O.Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000009881	A30B9C10	110	100	110	83.176	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008811	A7B11C9	97.724	100	69.31	31.623	110
CO.NCc1ccc(N)cc1.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015637	A38B5C18	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003611	A34B11C1	52.481	100	42.94	8.511	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=CC1CCCCC1	MC-0000018183	A21B7C22	110	100	110	110	110
CO.COCC[N+]#[C-].CC(C)CC=O.NCc1ccncc1	MC-0000009482	A5B10C10	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011800	A18B8C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1cccs1	MC-0000012079	A35B15C13	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016181	A28B5C19	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccs1	MC-0000004331	A35B11C2	110	100	99.91	53.703	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000018373	A33B5C22	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017057	A39B1C20	110	100	110	47.863	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=CC1CC1	MC-0000018452	A38B4C22	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014016	A24B16C16	110	99.9	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008024	A2B8C8	110	100	110	110	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013619	A44B3C15	110	100	110	41.687	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016498	A4B2C20	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013195	A17B11C15	93.325	100	32.95	33.113	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013809	A12B1C16	110	100	110	35.481	110
CO.CC(C)CC=O.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017226	A5B10C21	110	100	110	110	110
CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000010887	A5B7C12	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015496	A29B8C18	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000018377	A33B9C22	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019715	A29B3C24	110	100	110	20.417	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016082	A22B2C19	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1cccs1	MC-0000012778	A35B10C14	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017579	A27B11C21	110	100	39.16	41.687	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000018587	A2B11C23	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000003800	A2B8C2	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018109	A16B13C22	26.915	100	83.71	34.674	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000011590	A5B6C13	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008517	A33B5C8	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010517	A26B5C11	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CC1	MC-0000006481	A38B1C5	110	100	110	53.703	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018685	A8B13C23	32.359	100	49.24	23.988	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005608	A27B8C4	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015149	A7B13C18	39.811	100	99.91	34.674	110
CO.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017829	A43B5C21	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.Clc1nc2ccccc2cc1C=O	MC-0000007119	A33B15C6	110	100	110	110	110
O.CO.Nc1ccccc1.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017631	A30B15C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000018738	A12B2C23	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007685	A25B5C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019368	A7B8C24	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008457	A29B9C8	110	100	110	54.954	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019303	A3B7C24	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008812	A7B12C9	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014704	A23B16C17	110	100	110	38.019	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006504	A39B8C5	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N	MC-0000004515	A3B3C3	110	100	110	56.234	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000009008	A19B16C9	110	100	110	60.256	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000018720	A10B16C23	110	100	110	32.359	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=CCCc1ccccc1	MC-0000011055	A15B15C12	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013651	A2B3C16	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003133	A4B13C1	70.795	100	110	27.542	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017506	A23B2C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016951	A32B7C20	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016550	A7B6C20	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006705	A8B1C6	110	100	110	52.481	110
CO.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013447	A33B7C15	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017791	A40B15C21	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010263	A10B7C11	110	100	110	110	110
CO.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005796	A39B4C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017173	A2B5C21	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013558	A40B6C15	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008208	A13B16C8	110	100	110	38.019	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017969	A8B1C22	95.499	100	110	48.978	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008111	A7B15C8	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000019242	A43B10C23	110	100	110	110	110
Cl.CO.CCCCCC=O.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015049	A1B9C18	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010392	A18B8C11	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004176	A25B16C2	110	65.1	110	7.244	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.OCC(O)C(O)CC=O	MC-0000011247	A27B15C12	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019682	A27B2C24	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccn1	MC-0000018366	A32B14C22	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC=O	MC-0000018440	A37B8C22	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017465	A20B9C21	110	100	110	51.286	110
O.CO.CCCCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007310	A1B14C7	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N	MC-0000009939	A34B3C10	110	100	99.91	26.303	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000017962	A7B10C22	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008430	A27B14C8	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005325	A9B13C4	4.786	25.6	110	29.512	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012139	A39B11C13	95.499	100	64.99	34.674	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000006931	A22B3C6	110	100	110	67.608	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000018528	A42B16C22	110	100	110	46.774	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017232	A5B16C21	110	100	110	64.565	110
CO.COc1cccc(C=O)c1OC.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000015012	A43B4C17	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007487	A12B15C7	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013005	A5B13C15	51.286	100	110	26.303	110
CO.CCCC[N+]#[C-].Nc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000012740	A33B4C14	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019698	A28B2C24	110	100	110	110	110
CO.CSCCC=O.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013175	A16B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008295	A19B7C8	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014708	A24B4C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014293	A42B5C16	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccn1	MC-0000011326	A32B14C12	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008074	A5B10C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013010	A6B2C15	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].CC(C)CC=O.NC(=N)c1cccc(N)c1	MC-0000010189	A5B13C11	69.183	100	110	29.512	110
CO.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015871	A8B15C19	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006756	A11B4C6	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018544	A43B16C22	110	100	110	66.069	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.OCc1ccc(C=O)o1	MC-0000018852	A19B4C23	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccn1	MC-0000004285	A32B13C2	26.303	61.4	110	17.783	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013341	A26B13C15	45.709	100	110	28.184	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019314	A4B2C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007470	A11B14C7	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003236	A11B4C1	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007383	A6B7C7	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009039	A21B15C9	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000006189	A19B13C5	36.308	100	99.91	28.84	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006269	A24B13C5	110	100	110	18.197	110
CO.C[N+]#[C-].Nc1cccnc1.O=CC=Cc1ccccc1	MC-0000010422	A20B6C11	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008895	A12B15C9	110	100	110	110	110
CO.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019383	A8B7C24	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010322	A14B2C11	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018398	A34B14C22	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005339	A10B11C4	64.565	100	110	56.234	110
CO.COCC[N+]#[C-].CC(=O)C=O.NCc1ccncc1	MC-0000010058	A41B10C10	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011021	A13B13C12	40.738	100	110	60.256	110
CO.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014245	A39B5C16	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009244	A34B12C9	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008311	A20B7C8	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007620	A21B4C7	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013119	A12B15C15	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005096	A39B8C3	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000011177	A23B9C12	110	100	110	51.286	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O	MC-0000006306	A27B2C5	110	100	110	110	110
O.CO.NCc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017628	A30B12C21	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].Nc1cccnc1	MC-0000006790	A13B6C6	110	100	110	110	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.C=O	MC-0000019249	A44B1C23	110	100	110	0.158	110
CO.Nc1cccnc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016406	A42B6C19	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1ccco1	MC-0000010908	A6B12C12	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003404	A21B12C1	110	100	110	110	110
O.CO.CC(=O)C=O.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019918	A41B14C24	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1C=O	MC-0000010742	A40B6C11	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000018149	A19B5C22	110	100	110	110	110
O.CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1	MC-0000012494	A17B14C14	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011927	A26B7C13	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015643	A38B11C18	110	100	42.94	31.623	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1	MC-0000010616	A32B8C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=CC=Cc1ccccc1	MC-0000010420	A20B4C11	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015962	A14B10C19	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000004663	A12B7C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000012186	A42B10C13	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006168	A18B8C5	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000008990	A18B14C9	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016843	A25B11C20	70.795	100	86.59	33.113	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018735	A11B15C23	110	100	84.88	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010936	A8B8C12	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012129	A39B1C13	110	100	110	57.544	110
CO.Nc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015140	A7B4C18	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019356	A6B12C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015659	A39B11C18	110	100	110	37.154	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007748	A29B4C7	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008530	A34B2C8	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.OCC=O	MC-0000009990	A37B6C10	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013016	A6B8C15	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010987	A11B11C12	77.625	100	48.25	39.811	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1C=O	MC-0000010740	A40B4C11	110	100	110	110	110
O.CO.COCC[N+]#[C-].NCc1ccncc1.C=O	MC-0000010106	A44B10C10	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014139	A32B11C16	110	100	90.01	48.978	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012941	A1B13C15	40.738	83.1	99.91	24.547	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017440	A18B16C21	110	100	110	61.66	110
Cl.Cl.CO.CSCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013169	A16B1C15	110	100	110	61.66	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=CC1CC1	MC-0000006485	A38B5C5	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.C=O	MC-0000011516	A44B12C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1C=O	MC-0000011446	A40B6C12	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.OCC=O	MC-0000007177	A37B9C6	110	100	110	22.387	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016594	A10B2C20	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019341	A5B13C24	43.652	100	110	25.704	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010851	A3B3C12	110	100	110	53.703	110
CO.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008826	A8B10C9	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003522	A29B2C1	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007983	A43B15C7	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014625	A19B1C17	110	100	110	18.197	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015953	A14B1C19	43.652	100	110	23.442	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1coc2ccccc2c1=O	MC-0000011631	A7B15C13	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013294	A23B14C15	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013302	A24B6C15	110	100	110	110	110
CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012432	A13B16C14	110	100	110	83.176	110
CO.CCCOc1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013836	A13B12C16	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000015016	A43B8C17	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016143	A25B15C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019933	A42B13C24	40.738	100	110	21.878	110
O.CO.Nc1ccccc1.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007999	A44B15C7	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008502	A32B6C8	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000011788	A17B12C13	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017790	A40B14C21	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016255	A32B15C19	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000019101	A34B13C23	27.542	82.3	44.65	20.893	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016098	A23B2C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018772	A14B4C23	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000016734	A18B14C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008939	A15B11C9	100	100	80.56	34.674	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014067	A28B3C16	110	100	110	63.096	110
Cl.Cl.CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000012173	A41B13C13	53.703	100	110	25.119	110
O.CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000009888	A30B16C10	110	100	110	66.069	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000018153	A19B9C22	110	100	110	58.884	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007744	A28B16C7	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=CC1CCCCC1	MC-0000004801	A21B1C3	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.OCC(O)C(O)CC=O	MC-0000006308	A27B4C5	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016148	A26B4C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008062	A4B14C8	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000015001	A42B9C17	110	100	110	26.303	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017490	A22B2C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008257	A17B1C8	110	100	110	45.709	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.Clc1ccc(C=O)cc1	MC-0000010868	A4B4C12	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009391	A43B15C9	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014257	A40B1C16	95.499	100	110	45.709	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019569	A20B1C24	93.325	100	110	28.184	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019409	A10B1C24	38.905	100	110	30.2	110
CO.Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008927	A14B15C9	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011729	A14B1C13	93.325	100	110	50.119	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016979	A34B3C20	110	100	93.16	26.303	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000018722	A11B2C23	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015849	A7B9C19	110	100	110	34.674	110
CO.COCC[N+]#[C-].CSCCC=O.Nc1cccc(N)c1	MC-0000009655	A16B7C10	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014805	A30B5C17	110	100	110	110	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008537	A34B9C8	110	100	110	48.978	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000007041	A29B1C6	110	100	110	64.565	110
O.CO.NCc1ccncc1.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013626	A44B10C15	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013615	A43B15C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017678	A33B14C21	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=CCCc1ccccc1	MC-0000004719	A15B15C3	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013086	A10B14C15	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.C=O	MC-0000012218	A44B10C13	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016753	A20B1C20	110	100	110	44.668	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000005143	A42B7C3	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013441	A33B1C15	25.119	100	110	38.019	110
CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1	MC-0000012487	A17B7C14	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015147	A7B11C18	110	100	110	43.652	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000018054	A13B6C22	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000010953	A9B9C12	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000006049	A11B1C5	110	100	110	54.954	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007961	A42B9C7	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011557	A3B5C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1cccs1	MC-0000012076	A35B12C13	110	100	110	110	110
CO.Nc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013684	A4B4C16	110	100	110	110	110
CO.CCCCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015042	A1B2C18	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005280	A6B16C4	110	100	110	50.119	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017560	A26B8C21	110	100	110	110	110
CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O	MC-0000012418	A13B2C14	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1	MC-0000012429	A13B13C14	38.019	100	110	33.884	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010157	A3B13C11	79.433	100	110	28.184	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015320	A18B8C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005801	A39B9C4	110	100	110	110	110
Cl.CO.CSCCC=O.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015993	A16B9C19	110	100	110	51.286	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016242	A32B2C19	110	100	110	110	110
O.CO.Nc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016916	A30B4C20	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014967	A40B7C17	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011589	A5B5C13	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007333	A3B5C7	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011262	A28B14C12	110	100	110	110	110
CO.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017770	A39B10C21	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019730	A30B2C24	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019590	A21B6C24	110	100	110	110	110
CO.CSCCC=O.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013178	A16B10C15	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=CC=Cc1ccccc1	MC-0000010431	A20B15C11	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005867	A43B11C4	110	100	99.91	100	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011960	A28B8C13	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011765	A16B5C13	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000004067	A19B3C2	110	100	110	14.454	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018237	A24B13C22	74.131	100	110	43.652	110
O.CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000012693	A30B5C14	110	100	110	110	110
CO.CCCCCC=O.CCCC[N+]#[C-].Nc1ccccc1	MC-0000012239	A1B15C14	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1	MC-0000004527	A3B15C3	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017046	A38B6C20	110	100	110	110	110
CO.CCCC[N+]#[C-].CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012304	A5B16C14	110	100	110	58.884	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014654	A20B14C17	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000004304	A33B16C2	110	100	110	13.804	110
CO.Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005367	A12B7C4	110	100	110	110	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013393	A30B1C15	91.201	100	110	33.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000010848	A2B16C12	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007941	A41B5C7	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N	MC-0000004929	A29B1C3	110	100	110	57.544	110
CO.Nc1ccccc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013599	A42B15C15	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011205	A25B5C12	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=CC1CC1	MC-0000018463	A38B15C22	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003275	A13B11C1	110	100	110	69.183	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000011248	A27B16C12	110	100	110	39.811	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1C=O	MC-0000010751	A40B15C11	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015934	A12B14C19	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000006700	A7B12C6	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N	MC-0000007121	A34B1C6	110	100	110	20.417	110
CO.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015658	A39B10C18	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005692	A32B12C4	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1	MC-0000004879	A25B15C3	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000018570	A1B10C23	110	100	110	110	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000009920	A32B16C10	110	100	110	83.176	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018073	A14B9C22	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011430	A39B6C12	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007943	A41B7C7	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017972	A8B4C22	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003754	A43B10C1	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1	MC-0000004174	A25B14C2	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014554	A14B10C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011637	A8B5C13	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=CC1CC1	MC-0000010012	A38B12C10	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015189	A10B5C18	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012141	A39B13C13	14.125	100	110	21.878	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008504	A32B8C8	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.Clc1ccc(C=O)cc1	MC-0000012276	A4B4C14	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015638	A38B6C18	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019183	A39B15C23	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013161	A15B9C15	110	100	110	39.811	110
CO.Nc1cccnc1.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013478	A35B6C15	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000010242	A9B2C11	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013237	A20B5C15	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014280	A41B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008184	A12B8C8	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010021	A39B5C10	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010381	A17B13C11	100	100	110	39.811	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000011312	A31B16C12	110	100	110	91.201	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000006420	A34B4C5	110	100	110	61.66	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000010220	A7B12C11	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000018807	A16B7C23	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000017985	A9B1C22	57.544	100	110	47.863	110
CO.NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007514	A14B10C7	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000018602	A3B10C23	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000004512	A2B16C3	110	100	110	110	110
O.CO.Nc1ccncc1.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015732	A44B4C18	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017300	A10B4C21	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005496	A20B8C4	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017076	A40B4C20	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017753	A38B9C21	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1	MC-0000010462	A22B14C11	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=CC=Cc1ccccc1	MC-0000006902	A20B6C6	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000007053	A29B13C6	93.325	100	110	33.884	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000017935	A5B15C22	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004760	A18B8C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004598	A8B6C3	110	100	110	110	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000010256	A9B16C11	110	100	110	63.096	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016987	A34B11C20	42.658	100	36.1	18.621	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016867	A27B3C20	110	100	110	38.905	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007458	A11B2C7	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007626	A21B10C7	110	100	110	110	110
CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1	MC-0000010647	A34B7C11	110	100	110	110	110
CO.NCc1cccnc1.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003660	A37B12C1	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005254	A5B6C4	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007619	A21B3C7	110	100	110	74.131	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008881	A12B1C9	69.183	100	110	33.884	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003299	A15B3C1	110	100	63.64	63.096	75.858
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O	MC-0000011454	A40B14C12	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000012745	A33B9C14	110	100	110	110	110
O.CO.CC(=O)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007950	A41B14C7	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016727	A18B7C20	110	100	110	110	110
CO.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015654	A39B6C18	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.OCC=O	MC-0000010697	A37B9C11	110	100	110	20.417	110
O.O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1	MC-0000010584	A30B8C11	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013094	A11B6C15	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000012737	A33B1C14	110	100	110	43.652	110
CO.CCCCCC=O.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008709	A1B5C9	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015364	A21B4C18	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007976	A43B8C7	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006509	A39B13C5	0.479	22.6	110	16.218	110
CO.Nc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014390	A4B6C17	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000010915	A7B3C12	110	100	110	64.565	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000010471	A23B7C11	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000017896	A3B8C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1ncc[nH]1	MC-0000019028	A30B4C23	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000010068	A42B4C10	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013717	A6B5C16	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N	MC-0000010643	A34B3C11	110	100	82.63	25.119	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014155	A33B11C16	46.774	100	81.64	51.286	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000017897	A3B9C22	110	100	110	61.66	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccs1	MC-0000012077	A35B13C13	60.256	100	110	22.387	110
CO.Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017556	A26B4C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015093	A4B5C18	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018469	A39B5C22	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1	MC-0000010872	A4B8C12	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011064	A16B8C12	110	100	110	110	36.308
CO.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014370	A3B2C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017266	A8B2C21	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccccn1	MC-0000012735	A32B15C14	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010321	A14B1C11	110	100	110	48.978	110
O.CO.CC(C)CC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015118	A5B14C18	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008442	A28B10C8	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014777	A28B9C17	110	100	110	63.096	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010991	A11B15C12	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014759	A27B7C17	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=O.C=CC[N+]#[C-]	MC-0000008701	A44B13C8	32.359	66.5	49.6	23.442	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=CCCc1ccccc1	MC-0000018090	A15B10C22	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018499	A41B3C22	110	100	110	40.738	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014083	A29B3C16	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1	MC-0000012066	A35B2C13	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015814	A5B6C19	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011010	A13B2C12	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCc1ccccc1	MC-0000019054	A31B14C23	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000004585	A7B9C3	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000006072	A12B8C5	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=CCc1ccccc1	MC-0000019052	A31B12C23	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000010843	A2B11C12	110	100	64.72	31.623	110
O.CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O	MC-0000007296	A44B16C6	110	100	110	72.444	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000018231	A24B7C22	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC=O	MC-0000006472	A37B8C5	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011230	A26B14C12	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012833	A39B1C14	110	100	110	51.286	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011226	A26B10C12	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1	MC-0000006988	A25B12C6	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013261	A21B13C15	41.687	100	95.77	24.547	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013318	A25B6C15	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015472	A27B16C18	110	100	110	38.905	110
O.Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000006579	A44B3C5	110	100	110	110	110
CO.Nc1cccnc1.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014214	A37B6C16	110	100	110	110	110
O.CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1	MC-0000012510	A18B14C14	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015258	A14B10C18	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014378	A3B10C17	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017559	A26B7C21	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1	MC-0000011582	A4B14C13	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017650	A32B2C21	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008955	A16B11C9	110	100	89.38	47.863	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012635	A26B11C14	45.709	100	99.91	30.2	110
CO.CC(C)CC=O.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008775	A5B7C9	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015091	A4B3C18	110	100	110	48.978	110
CO.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017271	A8B7C21	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005619	A28B3C4	110	100	110	25.704	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004704	A14B16C3	110	100	110	67.608	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014445	A7B13C17	27.542	100	86.14	42.658	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011648	A8B16C13	110	100	110	77.625	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005502	A20B14C4	110	100	110	110	110
CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000003781	A1B5C2	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003304	A15B8C1	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000012523	A19B11C14	67.608	100	53.38	31.623	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000011476	A42B4C12	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000005892	A1B4C5	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000006965	A24B5C6	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010330	A14B10C11	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016622	A11B14C20	110	100	96.76	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008042	A3B10C8	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014976	A40B16C17	110	100	110	44.668	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015358	A20B14C18	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000003833	A4B9C2	110	100	110	60.256	110
CO.NCc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007932	A40B12C7	110	100	110	110	110
CO.NCc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017578	A27B10C21	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019526	A17B6C24	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010856	A3B8C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1ccccn1	MC-0000011327	A32B15C12	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CC1	MC-0000010705	A38B1C11	110	100	110	42.658	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015843	A7B3C19	110	100	110	31.623	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1	MC-0000009745	A22B1C10	110	100	110	50.119	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014297	A42B9C16	110	100	110	77.625	110
CO.Nc1ccncc1.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017492	A22B4C21	110	100	110	110	110
CO.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016386	A41B2C19	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1	MC-0000012662	A28B6C14	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000018581	A2B5C23	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1C=O	MC-0000011452	A40B12C12	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008854	A10B6C9	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017748	A38B4C21	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005553	A24B1C4	110	100	110	35.481	110
Cl.CO.CCCCCC=O.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000005897	A1B9C5	110	100	110	50.119	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000011667	A10B3C13	110	100	110	58.884	110
CO.CCOC(=O)C=C(C)C=O.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007756	A29B12C7	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].NCc1cccnc1	MC-0000010316	A13B12C11	110	100	110	110	110
O.CO.NCc1cccnc1.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003772	A44B12C1	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017639	A31B7C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017234	A6B2C21	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016127	A24B15C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014885	A35B5C17	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003270	A13B6C1	110	100	110	110	110
CO.Nc1ccccc1.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009023	A20B15C9	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1	MC-0000011755	A15B11C13	77.625	100	85.33	36.308	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019377	A8B1C24	46.774	100	110	25.119	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000010253	A9B13C11	32.359	83.9	110	32.359	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009239	A34B7C9	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010265	A10B9C11	110	100	110	85.114	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016627	A12B3C20	110	100	110	36.308	110
CO.Nc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014262	A40B6C16	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005681	A32B1C4	110	100	110	26.915	110
CO.Nc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016775	A21B7C20	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013219	A19B3C15	110	100	110	69.183	110
CO.Nc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007351	A4B7C7	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019812	A35B4C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015453	A26B13C18	41.687	100	110	30.2	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010024	A39B8C10	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000012416	A12B16C14	110	100	110	39.811	110
CO.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015156	A8B4C18	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.OCC=O	MC-0000011401	A37B9C12	110	100	110	29.512	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016803	A23B3C20	110	100	110	42.658	110
O.CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.C=O	MC-0000007285	A44B5C6	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015124	A6B4C18	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014541	A13B13C17	33.113	100	110	42.658	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007761	A30B1C7	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1	MC-0000009446	A3B6C10	110	100	110	110	110
CO.Nc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013158	A15B6C15	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1	MC-0000012623	A25B15C14	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000006557	A42B13C5	21.38	100	110	28.184	110
Cl.Cl.CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N	MC-0000012595	A24B3C14	110	100	110	67.608	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1	MC-0000004712	A15B8C3	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014961	A40B1C17	38.019	100	110	30.2	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014780	A28B12C17	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011917	A25B13C13	58.884	100	110	33.113	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005299	A8B3C4	110	100	110	45.709	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015957	A14B5C19	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006814	A14B14C6	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013385	A29B9C15	110	100	110	38.905	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000018579	A2B3C23	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005574	A25B6C4	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013912	A18B8C16	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019457	A13B1C24	50.119	100	110	37.154	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000004405	A40B5C2	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.Clc1nc2ccccc2cc1C=O	MC-0000019087	A33B15C23	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003688	A39B8C1	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000006738	A10B2C6	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1	MC-0000011159	A22B7C12	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017408	A16B16C21	110	100	91.99	70.795	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013872	A15B16C16	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.Nc1ccccc1	MC-0000004463	A43B15C2	110	100	110	110	110
CO.Nc1ccccc1.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015631	A37B15C18	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000018517	A42B5C22	110	100	110	110	110
CO.CCCCCC=O.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015756	A1B12C19	110	100	110	110	110
CO.Nc1ccncc1.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013412	A31B4C15	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000010928	A7B16C12	110	100	110	51.286	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.OCC(O)C(O)CC=O	MC-0000007014	A27B6C6	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1C=O	MC-0000006516	A40B4C5	110	100	110	110	110
CO.CSCCC=O.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008242	A16B2C8	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017111	A42B7C20	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009366	A42B6C9	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013850	A14B10C16	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016708	A17B4C20	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017231	A5B15C21	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018763	A13B11C23	70.795	100	75.79	60.256	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003294	A14B14C1	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000008974	A17B14C9	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004693	A14B5C3	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019720	A29B8C24	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010115	A1B3C11	110	100	110	22.909	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017251	A7B3C21	110	100	110	52.481	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008306	A20B2C8	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015316	A18B4C18	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000004445	A42B13C2	7.943	21.8	110	9.55	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015299	A17B3C18	110	100	110	53.703	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017983	A8B15C22	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=CC1CCCCC1	MC-0000006919	A21B7C6	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006136	A16B8C5	110	100	110	110	110
Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016009	A17B9C19	110	100	110	77.625	110
CO.NCc1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003157	A6B5C1	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010862	A3B14C12	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016265	A33B9C19	110	100	110	42.658	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006083	A13B3C5	110	100	110	87.096	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccs1	MC-0000006437	A35B5C5	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014423	A6B7C17	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000005152	A42B16C3	110	100	110	52.481	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000006325	A28B5C5	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019507	A16B3C24	110	100	110	29.512	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O	MC-0000012648	A27B8C14	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=CCCc1ccccc1	MC-0000018092	A15B12C22	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011217	A26B1C12	110	100	110	41.687	110
CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1	MC-0000009852	A28B12C10	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013746	A8B2C16	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000017130	A43B10C20	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014228	A38B4C16	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000010979	A11B3C12	110	100	75.34	52.481	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014328	A44B8C16	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017318	A11B6C21	110	100	93.16	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008814	A7B14C9	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014947	A39B3C17	110	100	110	67.608	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016221	A30B13C19	32.359	100	110	20.417	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015504	A29B16C18	110	100	110	61.66	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000003883	A7B11C2	81.283	100	71.11	31.623	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000004499	A2B3C3	110	100	110	66.069	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013521	A38B1C15	110	100	110	66.069	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016936	A31B8C20	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015347	A20B3C18	110	100	110	42.658	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000006928	A21B16C6	110	100	110	63.096	110
CO.CCCCCC=O.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005190	A1B6C4	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019177	A39B9C23	110	100	110	22.909	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019399	A9B7C24	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018531	A43B3C22	110	100	110	75.858	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000018390	A34B6C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000018219	A23B11C22	74.131	100	66.43	25.119	110
CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.Nc1ccncc1	MC-0000012420	A13B4C14	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015964	A14B12C19	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc2ccccc2c1	MC-0000009599	A12B15C10	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019794	A34B2C24	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006706	A8B2C6	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016802	A23B2C20	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000011804	A18B12C13	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000007091	A32B3C6	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1C=O	MC-0000012159	A40B15C13	110	100	110	110	110
CO.Nc1ccccc1.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013951	A20B15C16	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007895	A38B7C7	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013309	A24B13C15	43.652	100	110	22.387	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000009833	A27B9C10	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000004637	A10B13C3	35.481	100	110	39.811	110
CO.CC(=O)C=O.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017796	A41B4C21	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000011651	A9B3C13	110	100	110	48.978	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017299	A10B3C21	110	100	110	64.565	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000011980	A29B12C13	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008237	A15B13C8	38.019	100	110	30.903	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019313	A4B1C24	56.234	100	110	32.359	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017595	A28B11C21	110	100	27.82	36.308	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000018285	A27B13C22	95.499	100	110	30.903	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010336	A14B16C11	110	100	110	57.544	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013093	A11B5C15	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016251	A32B11C19	100	100	57.34	25.119	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013485	A35B13C15	30.903	100	110	32.359	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000018303	A28B15C22	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007360	A4B16C7	110	100	110	89.125	110
CO.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008828	A8B12C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014888	A35B8C17	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007795	A32B3C7	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005405	A14B13C4	33.884	100	110	64.565	110
CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000011268	A29B4C12	110	100	110	110	110
CO.Nc1ccccc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017679	A33B15C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016557	A7B13C20	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009814	A26B6C10	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000003952	A11B16C2	110	22.2	57.79	21.38	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019923	A42B3C24	110	100	110	28.184	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014724	A25B4C17	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000017868	A1B12C22	110	100	110	110	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000018137	A18B9C22	110	100	110	110	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014323	A44B3C16	110	100	110	64.565	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCc1ccccc1	MC-0000011310	A31B14C12	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].NCc1ccncc1	MC-0000010314	A13B10C11	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008016	A1B16C8	110	100	110	42.658	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000018997	A28B5C23	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016208	A29B16C19	110	68	110	28.84	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013665	A3B1C16	110	100	110	40.738	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000012251	A2B11C14	110	100	94.6	17.783	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011895	A24B7C13	110	100	110	110	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019662	A25B14C24	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O	MC-0000007022	A27B14C6	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014865	A34B1C17	51.286	94	75.79	21.878	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013232	A19B16C15	110	100	110	43.652	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O	MC-0000005112	A40B8C3	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013349	A27B5C15	110	100	110	110	110
Cl.CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011081	A17B9C12	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014845	A32B13C17	42.658	100	110	20.893	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007699	A26B3C7	110	100	110	60.256	110
CO.Nc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003702	A40B6C1	110	100	110	110	110
CO.Nc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003588	A33B4C1	110	100	110	110	110
CO.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008618	A39B10C8	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013263	A21B15C15	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CC1	MC-0000018450	A38B2C22	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000010280	A11B8C11	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003629	A35B13C1	110	100	110	39.811	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.OCC(O)C(O)CC=O	MC-0000018278	A27B6C22	110	100	110	110	110
CO.Nc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016868	A27B4C20	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019857	A38B1C24	89.125	100	110	44.668	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015238	A13B6C18	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCCc1ccccc1	MC-0000011757	A15B13C13	44.668	100	110	26.915	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017277	A8B13C21	100	100	110	28.184	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000017959	A7B7C22	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000004907	A27B11C3	110	100	68.5	38.905	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1	MC-0000018642	A6B2C23	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000010630	A33B6C11	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000011084	A17B12C12	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000011356	A34B12C12	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NCc1cccnc1.C=O	MC-0000007292	A44B12C6	110	100	110	110	110
CO.Nc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005494	A20B6C4	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006352	A29B16C5	110	100	110	63.096	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000017904	A3B16C22	110	100	110	37.154	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007427	A9B3C7	110	100	110	51.286	110
CO.Nc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005700	A33B4C4	110	100	110	110	110
CO.CSCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016690	A16B2C20	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000009717	A20B5C10	110	100	110	110	110
CO.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003695	A39B15C1	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015755	A1B11C19	64.565	86.2	46.72	33.884	110
O.CO.Nc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003540	A30B4C1	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015484	A28B12C18	110	100	110	110	110
CO.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017772	A39B12C21	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000012587	A23B11C14	58.884	100	48.07	15.849	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003617	A35B1C1	110	100	110	66.069	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014026	A25B10C16	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014311	A43B7C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013534	A38B14C15	110	100	110	110	110
CO.CCCCCC=O.C[N+]#[C-].Nc1cccnc1	MC-0000010118	A1B6C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000010628	A33B4C11	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000011082	A17B10C12	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005560	A24B8C4	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000012163	A41B3C13	110	100	110	56.234	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.OCc1ccc(C=O)o1	MC-0000018863	A19B15C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019180	A39B12C23	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016399	A41B15C19	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003605	A34B5C1	110	100	110	53.703	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006105	A14B9C5	110	100	110	70.795	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019515	A16B11C24	63.096	100	50.95	33.113	110
CO.CCCOc1ccc(C=O)cc1.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019468	A13B12C24	110	100	110	110	110
CO.CSCCC=O.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019519	A16B15C24	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccs1	MC-0000006441	A35B9C5	110	100	110	74.131	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003993	A14B9C2	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017069	A39B13C20	0.49	94.2	79.12	15.488	110
CO.CCOC(=O)C1CC1C=O.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013303	A24B7C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008328	A21B8C8	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1	MC-0000012266	A3B10C14	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000006067	A12B3C5	110	100	110	56.234	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1	MC-0000004924	A28B12C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013088	A10B16C15	110	100	110	41.687	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019802	A34B10C24	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009200	A31B16C9	110	100	110	36.308	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017184	A2B16C21	110	100	110	77.625	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013147	A14B11C15	93.325	100	38.62	26.915	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000011626	A7B10C13	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017817	A42B9C21	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=CC1CC1	MC-0000019161	A38B9C23	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014789	A29B5C17	110	100	110	110	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016025	A18B9C19	110	100	110	63.096	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015848	A7B8C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017448	A19B8C21	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014536	A13B8C17	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016449	A1B1C20	110	100	110	30.2	110
CO.Nc1ccccc1.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009215	A32B15C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017086	A40B14C20	110	100	110	110	110
O.Cl.CO.NCc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015513	A30B9C18	110	100	110	63.096	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017694	A34B14C21	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017779	A40B3C21	48.978	100	110	24.547	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016459	A1B11C20	75.858	100	46.45	25.704	110
CO.NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014556	A14B12C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O.C=CC[N+]#[C-]	MC-0000008592	A37B16C8	110	100	99.91	51.286	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007392	A6B16C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc[nH]1	MC-0000011887	A23B15C13	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016359	A39B7C19	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=CCc1ccccc1	MC-0000004970	A31B10C3	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009325	A39B13C9	100	100	110	33.884	110
O.CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006974	A24B14C6	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007796	A32B4C7	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccn1	MC-0000019061	A32B5C23	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1	MC-0000009906	A32B2C10	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013328	A25B16C15	110	100	110	57.544	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000009584	A11B16C10	110	100	99.91	66.069	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1	MC-0000018856	A19B8C23	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.C=O	MC-0000019258	A44B10C23	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010160	A3B16C11	110	100	110	56.234	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016885	A28B5C20	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000018163	A20B3C22	110	100	110	43.652	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000004444	A42B12C2	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015752	A1B8C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008830	A8B14C9	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.OCc1ccc(C=O)o1	MC-0000009708	A19B12C10	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007516	A14B12C7	110	100	110	110	110
CO.CCCCCC=O.COC(=O)C[N+]#[C-].Nc1cccnc1	MC-0000006598	A1B6C6	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1coc2ccccc2c1=O	MC-0000010927	A7B15C12	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000012656	A27B16C14	110	100	110	25.119	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013296	A23B16C15	110	100	110	26.915	110
CO.NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003477	A26B5C1	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1	MC-0000004127	A22B15C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000018464	A38B16C22	110	100	110	85.114	110
O.CO.Nc1cccc(N)c1.C=O.[C-]#[N+]C1CCCCC1	MC-0000005879	A44B7C4	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccco1	MC-0000006686	A6B14C6	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccccn1	MC-0000012026	A32B10C13	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008180	A12B4C8	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000018234	A24B10C22	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010332	A14B12C11	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007628	A21B12C7	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019633	A24B1C24	110	100	110	46.774	110
Cl.CO.CC(=O)C=O.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008649	A41B9C8	110	100	110	24.547	110
O.O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.C=O	MC-0000018558	A44B14C22	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013525	A38B5C15	110	100	110	110	110
CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1	MC-0000009948	A34B12C10	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008270	A17B14C8	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000006754	A11B2C6	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=CCc1ccccc1	MC-0000012006	A31B6C13	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011280	A29B16C12	110	100	110	57.544	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009169	A30B1C9	110	100	110	35.481	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CC1	MC-0000011419	A38B11C12	110	100	42.49	28.84	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013745	A8B1C16	110	100	110	36.308	110
CO.Nc1ccccc1.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003391	A20B15C1	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013053	A8B13C15	67.608	100	110	21.38	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005784	A38B8C4	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccco1	MC-0000017942	A6B6C22	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012954	A2B10C15	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1	MC-0000007035	A28B11C6	110	100	53.65	27.542	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013459	A34B3C15	110	100	110	34.674	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1	MC-0000009750	A22B6C10	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000017961	A7B9C22	110	100	110	85.114	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013779	A10B3C16	110	100	110	60.256	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011009	A13B1C12	110	100	110	53.703	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1ccco1	MC-0000004565	A6B5C3	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019701	A28B5C24	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010948	A9B4C12	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007314	A2B2C7	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007760	A29B16C7	110	100	110	66.069	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=CCCc1ccccc1	MC-0000009638	A15B6C10	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=O.C=CC[N+]#[C-]	MC-0000008702	A44B14C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016661	A14B5C20	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.Clc1nc2ccccc2cc1C=O	MC-0000010639	A33B15C11	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017201	A4B1C21	110	100	110	35.481	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008235	A15B11C8	110	100	83.35	41.687	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011434	A39B10C12	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc2OCOc2c1	MC-0000012895	A42B15C14	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016754	A20B2C20	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008751	A3B15C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017509	A23B5C21	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000004384	A38B16C2	110	100	110	9.333	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000011488	A42B16C12	110	100	110	42.658	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013555	A40B3C15	110	100	110	52.481	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccco1	MC-0000010193	A6B1C11	110	100	110	50.119	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019901	A40B13C24	63.096	100	110	30.903	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005403	A14B11C4	57.544	95.6	110	50.119	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016555	A7B11C20	87.096	100	53.02	28.184	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015760	A1B16C19	100	25.9	110	35.481	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013928	A19B8C16	110	100	110	110	110
CO.Nc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014054	A27B6C16	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009236	A34B4C9	110	100	110	110	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016913	A30B1C20	110	100	110	40.738	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000005113	A40B9C3	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O	MC-0000018274	A27B2C22	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013664	A2B16C16	110	100	110	67.608	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1cccs1	MC-0000012774	A35B6C14	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012995	A5B3C15	110	100	110	47.863	110
CO.Nc1cccc(N)c1.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015639	A38B7C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013077	A10B5C15	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1	MC-0000007029	A28B5C6	110	100	110	110	110
CO.CCCCCC=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014341	A1B5C17	110	100	110	110	110
O.CO.NCc1ccncc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016218	A30B10C19	110	100	110	110	110
CO.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008119	A8B7C8	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013031	A7B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017767	A39B7C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007529	A15B9C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013224	A19B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016280	A34B8C19	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000005137	A42B1C3	110	100	110	46.774	110
Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016713	A17B9C20	110	100	110	79.433	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000010924	A7B12C12	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011037	A14B13C12	38.019	100	110	45.709	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000018838	A18B6C23	110	100	110	110	110
CO.CSCCC=O.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008948	A16B4C9	110	100	110	110	110
CO.Nc1ccccc1.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003311	A15B15C1	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003550	A30B14C1	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007911	A39B7C7	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006593	A1B1C6	110	100	110	41.687	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008720	A1B16C9	110	94.7	99.91	42.658	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005563	A24B11C4	110	100	72.01	30.903	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003627	A35B11C1	110	100	110	42.658	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000012404	A12B4C14	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003345	A18B1C1	58.884	100	110	46.774	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003697	A40B1C1	34.674	100	110	2.512	100
O.CO.CCCC[N+]#[C-].CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012664	A28B8C14	110	100	110	110	110
CO.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015106	A5B2C18	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000009705	A19B9C10	110	100	110	38.019	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018974	A26B14C23	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019766	A32B6C24	110	100	110	110	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014030	A25B14C16	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014678	A22B6C17	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014436	A7B4C17	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015260	A14B12C18	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013370	A28B10C15	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000012653	A27B13C14	91.201	100	110	23.988	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016583	A9B7C20	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018010	A10B10C22	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019440	A11B16C24	110	88	110	52.481	110
CO.Nc1ccncc1.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009284	A37B4C9	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1C=O	MC-0000007222	A40B6C6	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010269	A10B13C11	42.658	100	110	45.709	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000012115	A38B3C13	110	100	110	51.286	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016097	A23B1C19	48.978	100	110	27.542	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000019227	A42B11C23	100	100	66.61	32.359	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000010835	A2B3C12	110	100	110	41.687	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010560	A28B16C11	110	100	110	54.954	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008385	A25B1C8	110	100	110	58.884	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005704	A33B8C4	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013801	A11B9C16	110	100	99.91	89.125	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.OCC(O)C(O)CC=O	MC-0000011238	A27B6C12	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014461	A8B13C17	51.286	100	89.29	36.308	110
CO.NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017557	A26B5C21	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014890	A35B10C17	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017247	A6B15C21	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014310	A43B6C16	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009300	A38B4C9	110	100	110	110	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010032	A39B16C10	110	100	110	77.625	110
CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000018108	A16B12C22	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccco1	MC-0000009497	A6B9C10	110	100	110	11.749	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccco1	MC-0000011605	A6B5C13	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.OCC=O	MC-0000011397	A37B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=CC=Cc1ccccc1	MC-0000011135	A20B15C12	110	100	110	110	110
CO.NCc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017580	A27B12C21	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013766	A9B6C16	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005715	A34B3C4	110	100	110	20.893	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000009829	A27B5C10	110	100	110	110	110
CO.NCc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014570	A15B10C17	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.Clc1ccc(C=O)cc1	MC-0000018618	A4B10C23	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008198	A13B6C8	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007496	A13B8C7	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004398	A39B14C2	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004690	A14B2C3	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014407	A5B7C17	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000007139	A35B3C6	110	100	110	47.863	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000006341	A29B5C5	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009535	A8B15C10	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003514	A28B10C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019477	A14B5C24	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000018135	A18B7C22	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015083	A3B11C18	110	100	91.27	33.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005819	A40B11C4	110	100	110	42.658	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015243	A13B11C18	41.687	100	86.5	31.623	110
O.CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012424	A13B8C14	110	100	110	110	110
O.Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1	MC-0000006353	A30B1C5	110	100	110	25.704	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008128	A8B16C8	110	100	110	53.703	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018718	A10B14C23	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008806	A7B6C9	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O	MC-0000004930	A29B2C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019872	A38B16C24	110	100	110	45.709	110
CO.NCc1ccc(N)cc1.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008293	A19B5C8	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1cccs1	MC-0000007146	A35B10C6	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014853	A33B5C17	110	100	110	110	110
CO.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007423	A8B15C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013865	A15B9C16	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=CCCc1ccccc1	MC-0000006118	A15B6C5	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O	MC-0000019186	A40B2C23	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000006672	A5B16C6	110	100	110	75.858	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009323	A39B11C9	110	100	67.87	20.893	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000017965	A7B13C22	22.909	100	93.25	51.286	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009304	A38B8C9	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017056	A38B16C20	110	100	110	69.183	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000012741	A33B5C14	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014503	A11B7C17	110	100	110	110	110
CO.CCCCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014338	A1B2C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005333	A10B5C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009111	A26B7C9	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016130	A25B2C19	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011902	A24B14C13	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014771	A28B3C17	110	100	110	42.658	110
CO.NCc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017210	A4B10C21	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013834	A13B10C16	110	100	110	110	110
CO.CSCCC=O.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003316	A16B4C1	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019739	A30B11C24	35.481	100	66.43	25.119	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017341	A12B13C21	29.512	100	110	26.303	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008963	A17B3C9	110	100	110	66.069	110
Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019529	A17B9C24	110	100	110	60.256	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017337	A12B9C21	110	100	110	42.658	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016664	A14B8C20	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007813	A33B5C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019785	A33B9C24	110	100	110	48.978	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000019031	A30B7C23	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014017	A25B1C16	110	100	110	66.069	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016923	A30B11C20	100	100	50.95	24.547	110
CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O	MC-0000004850	A24B2C3	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccco1	MC-0000005973	A6B5C5	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008728	A2B8C9	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000004841	A23B9C3	110	100	110	48.978	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009025	A21B1C9	110	100	110	54.954	110
CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.NCc1cccnc1	MC-0000007276	A43B12C6	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000018584	A2B8C23	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000018943	A24B15C23	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007463	A11B7C7	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000011175	A23B7C12	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008930	A15B2C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015837	A6B13C19	30.903	58.8	34.48	22.909	110
CO.Nc1ccncc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015540	A32B4C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017710	A35B14C21	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015283	A16B3C18	110	100	110	48.978	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018843	A18B11C23	110	100	59.68	35.481	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000011573	A4B5C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000018224	A23B16C22	110	100	110	27.542	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013373	A28B13C15	60.256	100	110	23.988	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000012380	A10B12C14	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=O.[C-]#[N+]c1ccccc1	MC-0000017147	A44B11C20	33.884	100	11.08	13.804	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019392	A8B16C24	110	100	110	44.668	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000010780	A42B12C11	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014174	A34B14C16	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013051	A8B11C15	110	100	38.62	20.417	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019867	A38B11C24	110	100	31.06	23.442	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006012	A8B12C5	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013798	A11B6C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014440	A7B8C17	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009121	A27B1C9	110	100	110	38.905	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000007254	A42B6C6	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016163	A27B3C19	110	100	110	23.988	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008486	A31B6C8	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013034	A7B10C15	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccco1	MC-0000012317	A6B13C14	12.589	100	61.48	14.791	110
CO.COCC[N+]#[C-].Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010022	A39B6C10	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000011480	A42B8C12	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005192	A1B8C4	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007695	A25B15C7	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CCCCC1	MC-0000010433	A21B1C11	110	100	110	58.884	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccs1	MC-0000007143	A35B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1	MC-0000006986	A25B10C6	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007658	A23B10C7	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000003848	A5B8C2	110	100	110	110	110
CO.Nc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003494	A27B6C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009013	A20B5C9	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014621	A18B13C17	48.978	100	99.91	33.884	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016643	A13B3C20	110	100	110	58.884	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015629	A37B13C18	33.884	89.3	47.89	21.878	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009314	A39B2C9	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000012055	A34B7C13	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1	MC-0000018920	A23B8C23	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000003945	A11B9C2	110	100	110	30.903	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000011173	A23B5C12	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015915	A11B11C19	110	100	54.19	37.154	110
CO.NCc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015340	A19B12C18	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000011877	A23B5C13	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010565	A29B5C11	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017178	A2B10C21	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccco1	MC-0000012316	A6B12C14	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014333	A44B13C16	20.417	46.3	19.54	26.915	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009104	A25B16C9	110	100	110	54.954	110
CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000006533	A41B5C5	110	100	110	110	110
CO.CSCCC=O.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016693	A16B5C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017243	A6B11C21	100	100	110	23.442	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010563	A29B3C11	110	100	110	52.481	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016638	A12B14C20	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000012388	A11B4C14	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003478	A26B6C1	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000003859	A6B3C2	110	100	110	6.31	110
CO.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013044	A8B4C15	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000012062	A34B14C13	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000006698	A7B10C6	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000004656	A11B16C3	110	53.2	65.62	51.286	110
CO.CCOC(=O)C1CC1C=O.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016118	A24B6C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018012	A10B12C22	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008641	A41B1C8	110	100	110	32.359	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000009831	A27B7C10	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016559	A7B15C20	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccn1	MC-0000012029	A32B13C13	41.687	100	110	28.84	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007573	A18B5C7	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCc1ccccc1	MC-0000009889	A31B1C10	110	100	110	70.795	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009622	A14B6C10	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014543	A13B15C17	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.OCC(O)C(O)CC=O	MC-0000004902	A27B6C3	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011218	A26B2C12	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000009789	A24B13C10	44.668	100	110	16.218	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000007042	A29B2C6	110	100	110	110	110
O.CO.Nc1cccnc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019734	A30B6C24	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O	MC-0000018280	A27B8C22	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011721	A13B9C13	110	100	110	110	110
CO.Nc1ccncc1.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014916	A37B4C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014920	A37B8C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015557	A33B5C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017250	A7B2C21	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005203	A2B3C4	110	100	110	110	110
CO.CCCCCC=O.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017157	A1B5C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013529	A38B9C15	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015429	A25B5C18	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015207	A11B7C18	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc[nH]1	MC-0000012588	A23B12C14	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011057	A16B1C12	72.444	100	110	44.668	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016286	A34B14C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014459	A8B11C17	110	100	72.73	41.687	110
CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].Nc1cccnc1	MC-0000010390	A18B6C11	110	100	110	110	110
CO.CSCCC=O.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017399	A16B7C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007653	A23B5C7	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017308	A10B12C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008409	A26B9C8	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003108	A3B4C1	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000018704	A9B16C23	110	100	110	66.069	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000006496	A38B16C5	110	100	110	47.863	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010240	A8B16C11	110	100	110	54.954	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011930	A26B10C13	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1	MC-0000006376	A31B8C5	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016576	A8B16C20	110	100	110	61.66	110
CO.NCc1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015333	A19B5C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019281	A2B1C24	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000019024	A29B16C23	110	100	110	18.197	110
CO.COC(=O)C[N+]#[C-].CC(C)CC=O.NCc1ccncc1	MC-0000006666	A5B10C6	110	100	110	110	110
CO.CCCCCC=O.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015050	A1B10C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014389	A4B5C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005397	A14B5C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016176	A27B16C19	110	100	110	28.184	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016845	A25B13C20	51.286	100	110	45.709	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000018487	A40B7C22	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019610	A22B10C24	110	100	110	110	110
O.CO.Nc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015511	A30B7C18	110	100	110	110	110
Cl.CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000018809	A16B9C23	110	100	110	29.512	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000018743	A12B7C23	110	100	110	110	110
CO.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019882	A39B10C24	110	100	110	110	110
Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007977	A43B9C7	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011432	A39B8C12	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000012396	A11B12C14	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000017957	A7B5C22	110	100	110	110	110
O.CO.CC(C)CC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000014414	A5B14C17	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000010839	A2B7C12	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.OCC=O	MC-0000012103	A37B7C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019296	A2B16C24	110	100	110	64.565	110
CO.Nc1ccccc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016047	A19B15C19	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013846	A14B6C16	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019675	A26B11C24	110	100	57.07	28.84	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000009549	A9B13C10	28.84	100	110	43.652	110
CO.CSCCC=O.C[N+]#[C-].Nc1cccnc1	MC-0000010358	A16B6C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.OCC=O	MC-0000010695	A37B7C11	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000009613	A13B13C10	44.668	100	110	33.113	110
CO.NCc1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013285	A23B5C15	110	100	110	83.176	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=CC1CCCCC1	MC-0000011140	A21B4C12	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000007108	A33B4C6	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1cccs1	MC-0000005031	A35B7C3	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1	MC-0000006631	A3B7C6	110	100	110	110	110
CO.CCCCCC=O.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017159	A1B7C21	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000018230	A24B6C22	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003618	A35B2C1	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008049	A4B1C8	110	100	110	53.703	110
CO.Nc1ccccc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016415	A42B15C19	110	100	110	110	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000006281	A25B9C5	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018026	A11B10C22	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012442	A14B10C14	41.687	100	110	37.154	110
CO.NCc1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016933	A31B5C20	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009085	A24B13C9	110	100	110	35.481	110
Cl.CO.NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015065	A2B9C18	110	100	110	75.858	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008314	A20B10C8	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000010995	A12B3C12	110	100	110	43.652	110
CO.CCCCCC=O.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000006608	A1B16C6	110	84	110	42.658	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1	MC-0000018193	A22B1C22	110	100	110	69.183	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013329	A26B1C15	93.325	100	110	38.019	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017339	A12B11C21	83.176	100	110	22.909	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011634	A8B2C13	110	100	110	110	110
CO.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005300	A8B4C4	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003445	A24B5C1	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007398	A7B6C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015800	A4B8C19	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016430	A43B14C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017656	A32B8C21	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000006261	A24B5C5	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CCCCC1	MC-0000011150	A21B14C12	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000009546	A9B10C10	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014032	A25B16C16	110	100	110	67.608	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccn1	MC-0000018357	A32B5C22	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011433	A39B9C12	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1	MC-0000018616	A4B8C23	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014643	A20B3C17	110	100	110	28.184	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017427	A18B3C21	110	100	110	50.119	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019904	A40B16C24	110	100	110	21.38	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000011786	A17B10C13	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004400	A39B16C2	110	100	110	13.49	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=CC1CCCCC1	MC-0000018885	A21B5C23	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000018053	A13B5C22	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013312	A24B16C15	110	100	110	56.234	110
CO.CSCCC=O.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008247	A16B7C8	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016829	A24B13C20	44.668	100	110	35.481	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008511	A32B15C8	110	100	110	110	110
CO.NCc1ccncc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019562	A19B10C24	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000010769	A42B1C11	110	100	110	44.668	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1	MC-0000004001	A15B1C2	31.623	100	110	16.982	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000006909	A20B13C6	46.774	72.6	110	27.542	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012132	A39B4C13	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009064	A23B8C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014149	A33B5C16	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000005965	A5B13C5	85.114	100	110	29.512	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.OCC=O	MC-0000011396	A37B4C12	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008192	A12B16C8	110	100	110	44.668	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013799	A11B7C16	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005460	A18B4C4	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1ccccn1	MC-0000006396	A32B12C5	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC=O	MC-0000004363	A37B11C2	43.652	55.3	57.07	25.704	110
CO.Nc1cccnc1.OCC=O.C=CC[N+]#[C-]	MC-0000008582	A37B6C8	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000012539	A20B11C14	41.687	100	87.49	30.903	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016721	A18B1C20	110	100	110	60.256	110
CO.Nc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013444	A33B4C15	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015062	A2B6C18	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000003880	A7B8C2	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008142	A9B14C8	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000018742	A12B6C23	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010982	A11B6C12	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000016995	A35B3C20	110	100	110	75.858	110
CO.NCc1ccncc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019898	A40B10C24	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000009784	A24B8C10	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012976	A3B16C15	110	100	110	51.286	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000011700	A12B4C13	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019413	A10B5C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008162	A11B2C8	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009170	A30B2C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013415	A31B7C15	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000011449	A40B9C12	110	100	110	51.286	110
CO.COCC[N+]#[C-].NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009530	A8B10C10	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016178	A28B2C19	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013340	A26B12C15	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007657	A23B9C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019880	A39B8C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015887	A9B15C19	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000019201	A41B1C23	110	100	110	25.704	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019423	A10B15C24	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014656	A20B16C17	110	100	110	30.2	110
CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1	MC-0000012423	A13B7C14	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007822	A33B14C7	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000010777	A42B9C11	110	100	110	58.884	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1	MC-0000018082	A15B2C22	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007684	A25B4C7	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007754	A29B10C7	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017412	A17B4C21	110	100	110	110	110
CO.NCc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017466	A20B10C21	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC=O	MC-0000018433	A37B1C22	110	100	110	21.38	110
CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1	MC-0000012666	A28B10C14	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000018736	A11B16C23	110	86.7	96.4	56.234	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccs1	MC-0000010669	A35B13C11	72.444	100	110	46.774	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1ccco1	MC-0000009503	A6B15C10	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017524	A24B4C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000018215	A23B7C22	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005448	A17B8C4	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000010037	A40B5C10	110	100	110	110	110
CO.Nc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007526	A15B6C7	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012839	A39B7C14	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000012395	A11B11C14	50.119	100	48.07	28.184	110
O.CO.Nc1cccnc1.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009398	A44B6C9	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012956	A2B12C15	110	100	110	110	110
O.CO.NCc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009178	A30B10C9	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000019239	A43B7C23	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.Clc1ccc(C=O)cc1	MC-0000004534	A4B6C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000006320	A27B16C5	110	100	110	25.119	110
CO.Nc1ccccc1.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017055	A38B15C20	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016723	A18B3C20	110	100	110	74.131	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000018820	A17B4C23	110	100	110	110	110
CO.CCCCCC=O.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016453	A1B5C20	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=CC=Cc1ccccc1	MC-0000004790	A20B6C3	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011104	A18B16C12	110	100	110	56.234	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1ccccn1	MC-0000011318	A32B6C12	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O	MC-0000004914	A28B2C3	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013920	A18B16C16	110	100	110	54.954	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.C=O	MC-0000012214	A44B6C13	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005278	A6B14C4	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007972	A43B4C7	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007501	A13B13C7	54.954	54.7	110	54.954	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012979	A4B3C15	110	100	110	38.019	110
Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000006265	A24B9C5	110	100	110	72.444	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008915	A14B3C9	110	100	110	51.286	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005635	A29B3C4	110	100	110	91.201	110
CO.Nc1cccnc1.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017702	A35B6C21	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013955	A21B3C16	110	100	110	95.499	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009089	A25B1C9	110	100	110	54.954	110
CO.Nc1ccccc1.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013439	A32B15C15	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015697	A42B1C18	110	100	110	57.544	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000004795	A20B11C3	110	100	110	51.286	110
CO.COc1cccc(C=O)c1OC.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019942	A43B6C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013487	A35B15C15	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005241	A4B9C4	110	100	110	77.625	110
CO.COc1cccc(C=O)c1OC.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009380	A43B4C9	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019719	A29B7C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015933	A12B13C19	34.674	90.3	110	26.915	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007854	A35B14C7	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O	MC-0000009518	A7B14C10	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019676	A26B12C24	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016730	A18B10C20	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006809	A14B9C6	110	100	110	27.542	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccs1	MC-0000007145	A35B9C6	110	100	110	42.658	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1	MC-0000004765	A18B13C3	72.444	100	110	26.915	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018028	A11B12C22	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016716	A17B12C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014651	A20B11C17	52.481	100	69.94	30.2	110
CO.Nc1cccc(N)c1.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019847	A37B7C24	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013993	A23B9C16	110	100	110	35.481	110
O.O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.C=O	MC-0000012216	A44B8C13	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1coc2ccccc2c1=O	MC-0000018671	A7B15C23	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1	MC-0000018152	A19B8C22	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017586	A28B2C21	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005832	A41B8C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=CCc1ccccc1	MC-0000012010	A31B10C13	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005211	A2B11C4	110	100	99.91	43.652	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000009428	A2B4C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008640	A40B16C8	110	100	110	50.119	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000011545	A2B9C13	110	100	110	56.234	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000011678	A10B14C13	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1	MC-0000018526	A42B14C22	110	100	110	110	110
CO.CCCCCC=O.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019279	A1B15C24	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.OCc1ccc(C=O)o1	MC-0000004783	A19B15C3	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].Nc1ccncc1	MC-0000006788	A13B4C6	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004389	A39B5C2	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009624	A14B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013288	A23B8C15	110	100	110	110	110
CO.Nc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000008996	A19B4C9	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1C=O	MC-0000019190	A40B6C23	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006297	A26B9C5	110	100	110	75.858	110
CO.CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017346	A13B2C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016590	A9B14C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014136	A32B8C16	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003462	A25B6C1	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000011315	A32B3C12	110	100	110	56.234	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1	MC-0000004234	A29B10C2	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014892	A35B12C17	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000018117	A17B5C22	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1	MC-0000017944	A6B8C22	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007322	A2B10C7	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=CC1CC1	MC-0000011423	A38B15C12	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010398	A18B14C11	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013103	A11B15C15	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014896	A35B16C17	110	100	110	30.903	110
O.CO.COCC[N+]#[C-].CSCCC=O.NC(=O)c1ccc(N)nc1	MC-0000009662	A16B14C10	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016085	A22B5C19	110	100	110	110	110
Cl.CO.CSCCC=O.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016697	A16B9C20	110	100	110	40.738	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000003957	A12B5C2	110	100	110	110	110
O.CO.NCc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016924	A30B12C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008174	A11B14C8	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.NC(=O)c1ccc(N)nc1	MC-0000004030	A16B14C2	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008887	A12B7C9	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000010131	A2B3C11	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=CCCc1ccccc1	MC-0000004716	A15B12C3	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017522	A24B2C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014595	A17B3C17	110	100	110	53.703	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000003984	A13B16C2	110	71.7	110	8.128	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015477	A28B5C18	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017261	A7B13C21	57.544	100	110	38.905	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008664	A42B8C8	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.OCC(O)C(O)CC=O	MC-0000011946	A27B10C13	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014298	A42B10C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009125	A27B5C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013054	A8B14C15	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=CCc1ccccc1	MC-0000019047	A31B7C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000011669	A10B5C13	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000006035	A10B3C5	110	100	110	54.954	110
CO.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007330	A3B2C7	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O	MC-0000004050	A18B2C2	110	100	110	110	110
O.Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000011995	A30B11C13	95.499	100	68.86	25.704	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014515	A12B3C17	110	100	110	36.308	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010324	A14B4C11	110	100	110	110	110
O.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.C=O	MC-0000019257	A44B9C23	110	100	110	26.915	110
CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].Nc1ccncc1	MC-0000009780	A24B4C10	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008493	A31B13C8	30.903	100	110	36.308	110
O.CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1	MC-0000009950	A34B14C10	110	100	110	110	110
O.CO.Nc1ccccc1.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016927	A30B15C20	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016055	A20B7C19	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000009246	A34B14C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014190	A35B14C16	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008423	A27B7C8	110	100	110	110	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009632	A14B16C10	110	100	110	61.66	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016541	A6B13C20	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005630	A28B14C4	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=CCCc1ccccc1	MC-0000012457	A15B9C14	110	100	110	110	110
O.O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O	MC-0000012920	A44B8C14	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013819	A12B11C16	61.66	100	42.22	16.218	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005464	A18B8C4	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014613	A18B5C17	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007801	A32B9C7	110	100	110	110	110
CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1ccccc1	MC-0000012511	A18B15C14	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000018485	A40B5C22	110	100	110	110	110
CO.NCc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017212	A4B12C21	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017063	A39B7C20	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1	MC-0000004679	A13B7C3	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017029	A37B5C20	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000019000	A28B8C23	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccs1	MC-0000010657	A35B1C11	110	100	110	110	110
CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1	MC-0000012503	A18B7C14	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12	MC-0000018590	A2B14C23	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016552	A7B8C20	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006302	A26B14C5	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000018416	A35B16C22	110	100	110	52.481	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009310	A38B14C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015339	A19B11C18	53.703	100	47.44	33.884	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007587	A19B3C7	110	100	110	81.283	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005629	A28B13C4	20.893	100	110	14.454	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018753	A13B1C23	110	100	110	85.114	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000017926	A5B6C22	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018946	A25B2C23	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010883	A5B3C12	110	100	110	67.608	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000010541	A27B13C11	93.325	100	110	23.442	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007506	A14B2C7	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017114	A42B10C20	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000018173	A20B13C22	36.308	100	110	47.863	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013337	A26B9C15	110	100	110	72.444	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.OCC=O	MC-0000007180	A37B12C6	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016195	A29B3C19	110	100	110	20.417	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006031	A9B15C5	110	100	110	110	110
O.CO.Nc1cccnc1.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015030	A44B6C17	110	100	110	110	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005225	A3B9C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019927	A42B7C24	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019524	A17B4C24	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005530	A22B10C4	110	100	110	110	110
CO.Nc1ccccc1.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008063	A4B15C8	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000011252	A28B4C12	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1	MC-0000004853	A24B5C3	110	100	110	110	110
O.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.C=O	MC-0000007289	A44B9C6	110	100	110	46.774	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc2ccccc2c1	MC-0000011711	A12B15C13	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1cccs1	MC-0000004332	A35B12C2	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005269	A6B5C4	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc[nH]1	MC-0000004134	A23B6C2	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004944	A29B16C3	110	100	110	61.66	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000011724	A13B12C13	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000006159	A17B15C5	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009335	A40B7C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005321	A9B9C4	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015883	A9B11C19	45.709	100	91.36	61.66	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018130	A18B2C22	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013036	A7B12C15	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009078	A24B6C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013245	A20B13C15	44.668	100	110	22.909	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018265	A26B9C22	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012636	A26B12C14	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008858	A10B10C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014360	A2B8C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014126	A31B14C16	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=CCc1ccccc1	MC-0000004271	A31B15C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016672	A14B16C20	110	100	110	64.565	110
CO.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019878	A39B6C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013096	A11B8C15	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007660	A23B12C7	110	100	110	110	110
O.CO.Nc1ccccc1.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015743	A44B15C18	110	100	110	110	110
CO.Nc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013924	A19B4C16	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014336	A44B16C16	110	100	110	61.66	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015952	A13B16C19	110	100	110	41.687	110
CO.C[N+]#[C-].Nc1cccnc1.O=CCCc1ccccc1	MC-0000010342	A15B6C11	110	100	110	110	110
CO.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017270	A8B6C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018261	A26B5C22	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014271	A40B15C16	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1	MC-0000006941	A22B13C6	47.863	100	110	30.2	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005342	A10B14C4	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=CC=Cc1ccccc1	MC-0000011132	A20B12C12	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=CCc1ccccc1	MC-0000006373	A31B5C5	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019466	A13B10C24	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000006976	A24B16C6	110	100	110	61.66	110
CO.CSCCC=O.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003318	A16B6C1	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010030	A39B14C10	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.OCC(O)C(O)CC=O	MC-0000018982	A27B6C23	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000009539	A9B3C10	110	100	110	56.234	110
CO.Nc1cccnc1.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005526	A22B6C4	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000007017	A27B9C6	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015733	A44B5C18	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019537	A18B1C24	64.565	100	110	26.915	110
CO.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017766	A39B6C21	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011896	A24B8C13	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=CCCc1ccccc1	MC-0000010340	A15B4C11	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015212	A11B12C18	110	100	110	110	110
O.CO.C[N+]#[C-].Nc1cccnc1.O=Cc1ncc[nH]1	MC-0000010582	A30B6C11	110	100	110	110	110
CO.Nc1ccccc1.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013167	A15B15C15	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006096	A13B16C5	110	100	110	81.283	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=CCCc1ccccc1	MC-0000018791	A15B7C23	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].CSCCC=O.NC(=N)c1ccc(N)cc1	MC-0000009659	A16B11C10	100	100	76.42	47.863	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016633	A12B9C20	110	100	110	67.608	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006997	A26B5C6	110	100	110	110	110
Cl.CO.CC(=O)C=O.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015689	A41B9C18	110	100	110	26.303	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017040	A37B16C20	110	100	110	53.703	110
CO.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005250	A5B2C4	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012626	A26B2C14	110	100	110	110	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015507	A30B3C18	110	100	110	45.709	110
CO.CCCC[N+]#[C-].NCc1ccncc1.Clc1ccc(C=O)cc1	MC-0000012282	A4B10C14	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007347	A4B3C7	110	100	110	83.176	110
CO.Nc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014647	A20B7C17	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1	MC-0000018872	A20B8C23	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005207	A2B7C4	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011255	A28B7C12	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018782	A14B14C23	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.OCc1ccc(C=O)o1	MC-0000006191	A19B15C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1	MC-0000018408	A35B8C22	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015555	A33B3C18	110	100	110	61.66	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1	MC-0000018862	A19B14C23	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006045	A10B13C5	43.652	100	110	50.119	110
CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010146	A3B2C11	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009375	A42B15C9	110	100	110	110	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019545	A18B9C24	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000010739	A40B3C11	67.608	100	110	64.565	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014448	A7B16C17	110	100	110	39.811	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017424	A17B16C21	110	100	110	87.096	110
CO.Nc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005814	A40B6C4	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018253	A25B13C22	38.019	100	110	45.709	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011089	A18B1C12	110	100	110	43.652	110
CO.NCc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007402	A7B10C7	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000017990	A9B6C22	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008109	A7B13C8	26.303	100	110	38.019	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009232	A33B16C9	110	100	110	58.884	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008022	A2B6C8	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008307	A20B3C8	110	100	110	91.201	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000004442	A42B10C2	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015777	A3B1C19	63.096	100	110	25.704	110
CO.NCc1cccnc1.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019612	A22B12C24	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018605	A3B13C23	60.256	85.1	110	25.119	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017259	A7B11C21	110	100	72.1	34.674	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006765	A11B13C6	50.119	43.5	99.91	34.674	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014969	A40B9C17	110	100	110	30.2	110
CO.CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005634	A29B2C4	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1	MC-0000012776	A35B8C14	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000017125	A43B5C20	110	100	110	110	110
Cl.CO.CCCCCC=O.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013641	A1B9C16	110	100	110	42.658	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000018728	A11B8C23	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016325	A37B5C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013986	A23B2C16	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018059	A13B11C22	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019486	A14B14C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007410	A8B2C7	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011554	A3B2C13	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003276	A13B12C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017327	A11B15C21	110	100	99.91	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1ncc[nH]1	MC-0000004959	A30B15C3	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016328	A37B8C19	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014480	A9B16C17	110	100	110	54.954	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008272	A17B16C8	110	100	110	50.119	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008478	A30B14C8	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1	MC-0000009797	A25B5C10	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007980	A43B12C7	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014131	A32B3C16	110	100	73.9	66.069	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015317	A18B5C18	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.NCc1cccc(c1)C(=N)N	MC-0000004721	A16B1C3	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000009506	A7B2C10	110	100	110	110	110
O.Cl.CO.NCc1cccc(N)c1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019737	A30B9C24	110	100	110	12.882	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000010918	A7B6C12	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000018493	A40B13C22	45.709	100	110	27.542	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000006284	A25B12C5	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016539	A6B11C20	50.119	100	56.35	32.359	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005585	A26B1C4	110	100	110	28.184	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019809	A35B1C24	16.596	100	110	31.623	110
CO.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016263	A33B7C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014269	A40B13C16	52.481	51.2	110	23.988	110
CO.Nc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017204	A4B4C21	110	100	110	110	110
CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000011071	A16B15C12	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccco1	MC-0000017940	A6B4C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.Clc1ccc(C=O)cc1	MC-0000017910	A4B6C22	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010519	A26B7C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000010773	A42B5C11	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CC1	MC-0000018459	A38B11C22	110	100	46.09	53.703	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1	MC-0000018900	A22B4C23	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1ccc[nH]1	MC-0000010474	A23B10C11	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019325	A4B13C24	39.811	100	110	14.454	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1	MC-0000004941	A29B13C3	79.433	100	110	37.154	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019797	A34B5C24	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=CCc1ccccc1	MC-0000007087	A31B15C6	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=CCc1ccccc1	MC-0000019050	A31B10C23	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.C=O	MC-0000004471	A44B7C2	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009127	A27B7C9	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008671	A42B15C8	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018941	A24B13C23	37.154	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccn1	MC-0000009917	A32B13C10	42.658	100	110	30.903	110
CO.C[N+]#[C-].Nc1ccccc1.O=CCCc1ccccc1	MC-0000010351	A15B15C11	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008893	A12B13C9	79.433	100	70.3	19.953	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005744	A35B16C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000018208	A22B16C22	110	100	110	53.703	110
CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].Nc1ccccc1	MC-0000009791	A24B15C10	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005568	A24B16C4	110	100	110	52.481	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1C=O	MC-0000010042	A40B10C10	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1coc2ccccc2c1=O	MC-0000003887	A7B15C2	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016761	A20B9C20	110	100	110	83.176	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015265	A15B1C18	91.201	100	110	72.444	110
Cl.Cl.CO.CSCCC=O.C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010353	A16B1C11	100	100	110	42.658	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.C=O	MC-0000018550	A44B6C22	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014701	A23B13C17	50.119	100	79.3	17.783	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016866	A27B2C20	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016549	A7B5C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016738	A19B2C20	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=CCCc1ccccc1	MC-0000012455	A15B7C14	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014186	A35B10C16	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000019013	A29B5C23	110	100	110	110	110
Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015721	A43B9C18	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005097	A39B9C3	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017662	A32B14C21	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013738	A7B10C16	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007959	A42B7C7	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007556	A17B4C7	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015844	A7B4C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013243	A20B11C15	38.905	100	40.42	19.953	110
CO.CCCCCC=O.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013647	A1B15C16	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019741	A30B13C24	19.498	100	110	0.209	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000011335	A33B7C12	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000007049	A29B9C6	110	100	110	25.704	110
CO.CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019714	A29B2C24	110	100	110	110	110
CO.Nc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003364	A19B4C1	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014725	A25B5C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018272	A26B16C22	110	100	110	74.131	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015789	A3B13C19	85.114	100	110	34.674	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015593	A35B9C18	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018256	A25B16C22	110	100	110	61.66	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016925	A30B13C20	89.125	100	110	23.442	110
CO.Nc1ccccc1.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003711	A40B15C1	110	100	110	110	110
Cl.CO.CC(C)CC=O.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014409	A5B9C17	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1	MC-0000019230	A42B14C23	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019900	A40B12C24	110	100	110	110	110
CO.Nc1cccnc1.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016230	A31B6C19	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000006368	A30B16C5	110	100	110	41.687	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000004665	A12B9C3	110	100	110	39.811	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011959	A28B7C13	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000017101	A41B13C20	46.774	100	110	18.621	110
Cl.Cl.CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018803	A16B3C23	110	100	110	14.791	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=O.[C-]#[N+]c1ccccc1	MC-0000017149	A44B13C20	15.849	100	59.77	3.802	110
Cl.CO.NCc1cccc(N)c1.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017049	A38B9C20	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=CC1CCCCC1	MC-0000012556	A21B12C14	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017851	A44B11C21	110	100	8.74	37.154	110
CO.Nc1ccccc1.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005503	A20B15C4	110	100	110	110	110
CO.CCCCCC=O.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012932	A1B4C15	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016736	A18B16C20	110	100	110	57.544	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008628	A40B4C8	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N	MC-0000009795	A25B3C10	110	100	110	75.858	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1	MC-0000018201	A22B9C22	110	100	110	87.096	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008651	A41B11C8	79.433	100	33.13	32.359	110
CO.NCc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017514	A23B10C21	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003204	A9B4C1	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008324	A21B4C8	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017358	A13B14C21	110	100	110	110	110
CO.Nc1ccccc1.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009135	A27B15C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015346	A20B2C18	110	100	110	110	110
Cl.CO.CCCCCC=O.CCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000012233	A1B9C14	110	100	110	79.433	110
O.CO.CSCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013886	A16B14C16	110	100	110	110	110
CO.NCc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017468	A20B12C21	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCc1ccccc1	MC-0000012705	A31B1C14	110	100	110	57.544	110
CO.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012962	A3B2C15	110	100	110	110	110
CO.CCCCCC=O.C[N+]#[C-].Nc1ccncc1	MC-0000010116	A1B4C11	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014270	A40B14C16	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007693	A25B13C7	52.481	100	110	27.542	110
CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012608	A24B16C14	110	100	110	43.652	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003675	A38B11C1	110	100	64	16.218	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003359	A18B15C1	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012624	A25B16C14	110	100	110	48.978	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=CCc1ccccc1	MC-0000018341	A31B5C22	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003329	A17B1C1	60.256	100	110	48.978	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005098	A39B10C3	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000011483	A42B11C12	110	100	59.95	31.623	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=CC1CCCCC1	MC-0000004102	A21B6C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013280	A22B16C15	110	70.3	110	37.154	110
CO.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016356	A39B4C19	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000009576	A11B8C10	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=CC=Cc1ccccc1	MC-0000011126	A20B6C12	110	100	110	110	3.236
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000019094	A34B6C23	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018947	A25B3C23	110	100	110	43.652	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000018752	A12B16C23	110	100	110	34.674	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016197	A29B5C19	110	100	110	110	110
CO.CCCCCC=O.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010114	A1B2C11	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015059	A2B3C18	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccs1	MC-0000010661	A35B5C11	110	100	110	110	110
CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1	MC-0000004490	A1B10C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016080	A21B16C19	110	100	110	41.687	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000018228	A24B4C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000006317	A27B13C5	95.499	100	110	24.547	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013125	A13B5C15	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013808	A11B16C16	110	60.9	69.49	47.863	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=CC1CCCCC1	MC-0000011143	A21B7C12	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014925	A37B13C17	33.884	34.5	40.33	24.547	110
CO.NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013333	A26B5C15	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003616	A34B16C1	110	48.9	9.1	32.359	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014870	A34B6C17	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.OCC(O)C(O)CC=O	MC-0000018287	A27B15C22	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.Clc1ccc(C=O)cc1	MC-0000003830	A4B6C2	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019742	A30B14C24	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000009928	A33B8C10	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017058	A39B2C20	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000012411	A12B11C14	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013213	A18B13C15	64.565	100	110	23.988	110
CO.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014246	A39B6C16	110	100	110	110	110
O.CO.CSCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000016702	A16B14C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017263	A7B15C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019557	A19B5C24	110	100	110	110	110
CO.Nc1ccccc1.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008431	A27B15C8	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014023	A25B7C16	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018306	A29B2C22	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007923	A40B3C7	110	100	110	42.658	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007440	A9B16C7	110	100	110	50.119	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015773	A2B13C19	51.286	100	110	37.154	110
Cl.CO.COCC[N+]#[C-].CSCCC=O.NCc1cccc(N)c1	MC-0000009657	A16B9C10	110	100	110	64.565	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1	MC-0000010455	A22B7C11	110	100	110	110	110
CO.CCCCCC=O.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003076	A1B4C1	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013361	A28B1C15	110	100	110	85.114	110
O.CO.Nc1cccc(N)c1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019735	A30B7C24	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1c[nH]c2ccccc12	MC-0000012255	A2B15C14	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000006572	A43B12C5	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000019006	A28B14C23	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC=O	MC-0000012104	A37B8C13	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003221	A10B5C1	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000011475	A42B3C12	110	100	110	70.795	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017324	A11B12C21	110	100	85.42	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=CC1CCCCC1	MC-0000012548	A21B4C14	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010254	A9B14C11	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000011500	A43B12C12	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018248	A25B8C22	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019930	A42B10C24	110	100	110	110	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccs1	MC-0000012073	A35B9C13	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015486	A28B14C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014433	A7B1C17	72.444	100	110	32.359	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000012855	A40B7C14	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=CCc1ccccc1	MC-0000006380	A31B12C5	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010972	A10B12C12	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017048	A38B8C20	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009044	A22B4C9	110	100	110	110	110
O.CO.COCC[N+]#[C-].NCc1cccnc1.C=O	MC-0000010108	A44B12C10	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015377	A22B1C18	110	100	110	53.703	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.Clc1ccc(C=O)cc1	MC-0000005942	A4B6C5	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008229	A15B5C8	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1ccccn1	MC-0000010614	A32B6C11	110	100	110	110	110
Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000018121	A17B9C22	110	100	110	38.019	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019789	A33B13C24	30.2	100	110	15.136	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=CCc1ccccc1	MC-0000006377	A31B9C5	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1	MC-0000009646	A15B14C10	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017303	A10B7C21	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccs1	MC-0000010665	A35B9C11	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000011485	A42B13C12	23.442	100	110	61.66	110
CO.NCc1ccncc1.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016090	A22B10C19	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000006737	A10B1C6	100	100	110	56.234	110
CO.NCc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007324	A2B12C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009285	A37B5C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016507	A4B11C20	110	100	61.12	39.811	110
Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000006089	A13B9C5	110	100	110	83.176	110
O.CO.NCc1ccncc1.C=O.[C-]#[N+]c1ccccc1	MC-0000017146	A44B10C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007912	A39B8C7	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000015007	A42B15C17	110	100	110	110	110
CO.NCc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016874	A27B10C20	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1ncc[nH]1	MC-0000004948	A30B4C3	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007443	A10B3C7	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=CCCc1ccccc1	MC-0000011052	A15B12C12	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005776	A37B16C4	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008646	A41B6C8	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003320	A16B8C1	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012964	A3B4C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019925	A42B5C24	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccn1	MC-0000009905	A32B1C10	110	100	110	60.256	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000018247	A25B7C22	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1	MC-0000010457	A22B9C11	110	100	110	89.125	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1	MC-0000011863	A22B7C13	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016935	A31B7C20	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009392	A43B16C9	110	100	110	58.884	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1	MC-0000018878	A20B14C23	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016581	A9B5C20	110	100	110	110	110
CO.Nc1ccccc1.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014063	A27B15C16	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000019221	A42B5C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000019120	A35B16C23	110	100	110	67.608	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013584	A41B16C15	110	100	110	48.978	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1	MC-0000005012	A34B4C3	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1	MC-0000018402	A35B2C22	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014661	A21B5C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019360	A6B16C24	110	100	110	39.811	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014894	A35B14C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008190	A12B14C8	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007753	A29B9C7	110	100	110	60.256	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014416	A5B16C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=CC1CCCCC1	MC-0000011850	A21B10C13	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012632	A26B8C14	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013767	A9B7C16	110	100	110	110	110
O.CO.Nc1ccccc1.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003551	A30B15C1	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011566	A3B14C13	110	100	110	110	110
CO.CCCCCC=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015045	A1B5C18	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000015013	A43B5C17	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003501	A27B13C1	56.234	100	110	27.542	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1	MC-0000011157	A22B5C12	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000018912	A22B16C23	110	100	110	51.286	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CCCCC1	MC-0000011137	A21B1C12	110	100	110	64.565	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016499	A4B3C20	110	100	110	64.565	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005728	A34B16C4	110	100	90.1	35.481	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O	MC-0000004897	A27B1C3	110	100	110	44.668	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005779	A38B3C4	110	100	110	41.687	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019947	A43B11C24	100	100	29.98	35.481	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013229	A19B13C15	48.978	100	110	25.704	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O	MC-0000012641	A27B1C14	110	100	110	37.154	110
CO.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009317	A39B5C9	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC=O	MC-0000011393	A37B1C12	110	100	110	20.893	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000018394	A34B10C22	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013474	A35B2C15	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019800	A34B8C24	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016652	A13B12C20	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccco1	MC-0000017951	A6B15C22	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003431	A23B7C1	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc2ccccc2c1	MC-0000003967	A12B15C2	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019775	A32B15C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014687	A22B15C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015344	A19B16C18	110	100	110	42.658	110
CO.COCC[N+]#[C-].Nc1cccnc1.Clc1ccc(C=O)cc1	MC-0000009462	A4B6C10	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016138	A25B10C19	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014085	A29B5C16	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000017873	A2B1C22	110	100	110	89.125	110
CO.Nc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017172	A2B4C21	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013666	A3B2C16	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017837	A43B13C21	30.903	100	110	40.738	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016083	A22B3C19	110	100	110	25.704	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000018176	A20B16C22	110	100	110	43.652	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014242	A39B2C16	110	100	110	110	110
CO.NCc1ccncc1.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007882	A37B10C7	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016882	A28B2C20	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014362	A2B10C17	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017116	A42B12C20	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000011571	A4B3C13	110	100	110	79.433	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000011579	A4B11C13	110	100	52.48	30.2	110
O.CO.Nc1ccccc1.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016447	A44B15C19	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014752	A26B16C17	110	100	110	48.978	110
CO.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014855	A33B7C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015864	A8B8C19	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005532	A22B12C4	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003152	A5B16C1	110	100	51.58	52.481	110
CO.Nc1ccncc1.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015588	A35B4C18	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009021	A20B13C9	51.286	100	110	30.2	110
CO.CSCCC=O.C[N+]#[C-].Nc1ccncc1	MC-0000010356	A16B4C11	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019280	A1B16C24	110	37.8	110	32.359	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010518	A26B6C11	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008921	A14B9C9	110	100	110	110	110
CO.Nc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005606	A27B6C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019765	A32B5C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013775	A9B15C16	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019178	A39B10C23	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017616	A29B16C21	110	100	110	63.096	110
CO.CCCCCC=O.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015751	A1B7C19	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1	MC-0000012617	A25B9C14	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008860	A10B12C9	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018471	A39B7C22	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015111	A5B7C18	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015076	A3B4C18	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014045	A26B13C16	28.184	97.6	73.99	34.674	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016287	A34B15C19	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007652	A23B4C7	110	100	110	110	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000009520	A7B16C10	110	100	110	56.234	110
Cl.Cl.CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006539	A41B11C5	110	100	33.49	19.498	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000011972	A29B4C13	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CC1	MC-0000018462	A38B14C22	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016584	A9B8C20	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014531	A13B3C17	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019302	A3B6C24	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCc1ccccc1	MC-0000018337	A31B1C22	110	100	110	45.709	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2	MC-0000017998	A9B14C22	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019584	A20B16C24	110	100	110	33.113	110
CO.Nc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014358	A2B6C17	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006709	A8B5C6	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010516	A26B4C11	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016529	A6B1C20	110	100	110	58.884	110
CO.Nc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003254	A12B6C1	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000004576	A6B16C3	110	100	110	64.565	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014923	A37B11C17	61.66	100	35.83	35.481	110
Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008969	A17B9C9	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013298	A24B2C15	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013533	A38B13C15	47.863	100	110	30.2	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009330	A40B2C9	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009219	A33B3C9	110	100	110	60.256	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc2OCOc2c1	MC-0000004447	A42B15C2	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000018039	A12B7C22	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014491	A10B11C17	54.954	100	93.88	51.286	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007461	A11B5C7	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1ccc[nH]1	MC-0000010476	A23B12C11	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015833	A6B9C19	110	100	110	27.542	110
O.CO.Nc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014102	A30B6C16	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019395	A9B3C24	110	100	110	41.687	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003521	A29B1C1	110	100	110	51.286	110
CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010576	A29B16C11	110	100	110	41.687	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015443	A26B3C18	110	100	110	40.738	110
CO.Nc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017814	A42B6C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015771	A2B11C19	110	100	98.92	34.674	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012972	A3B12C15	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005370	A12B10C4	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011761	A16B1C13	67.608	100	110	51.286	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008397	A25B13C8	33.113	100	110	47.863	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014872	A34B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017400	A16B8C21	110	100	110	110	110
CO.CSCCC=O.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016698	A16B10C20	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccco1	MC-0000017949	A6B13C22	5.888	100	67.96	14.454	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000005139	A42B3C3	110	100	110	50.119	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014400	A4B16C17	110	100	110	30.2	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019344	A5B16C24	110	100	110	56.234	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000018192	A21B16C22	110	100	110	67.608	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006731	A9B11C6	52.481	100	110	67.608	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O	MC-0000012334	A7B14C14	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000009556	A10B4C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000011698	A12B2C13	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013616	A43B16C15	110	100	110	57.544	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010966	A10B6C12	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013569	A41B1C15	110	100	110	40.738	110
CO.CCCCCC=O.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008719	A1B15C9	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018226	A24B2C22	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016510	A4B14C20	110	100	110	110	110
CO.Nc1ccccc1.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019759	A31B15C24	110	100	110	110	110
CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1	MC-0000009946	A34B10C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000018368	A32B16C22	110	100	110	46.774	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1	MC-0000012706	A31B2C14	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019613	A22B13C24	30.2	100	110	23.988	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017359	A13B15C21	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1ccccn1	MC-0000006394	A32B10C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015688	A41B8C18	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=CCCc1ccccc1	MC-0000006831	A15B15C6	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009212	A32B12C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019787	A33B11C24	89.125	100	44.74	30.903	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008976	A17B16C9	110	100	110	57.544	110
O.CO.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015288	A16B8C18	110	100	110	110	110
O.CO.Nc1ccncc1.C=O.C=CC[N+]#[C-]	MC-0000008692	A44B4C8	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1	MC-0000012267	A3B11C14	110	100	110	30.2	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015669	A40B5C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015337	A19B9C18	110	100	110	46.774	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000018589	A2B13C23	57.544	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013807	A11B15C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015144	A7B8C18	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000011014	A13B6C12	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1coc2ccccc2c1=O	MC-0000006703	A7B15C6	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016051	A20B3C19	110	100	110	26.303	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008495	A31B15C8	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC=O	MC-0000012107	A37B11C13	45.709	100	24.4	33.113	110
CO.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008822	A8B6C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016530	A6B2C20	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000010339	A15B3C11	110	100	110	54.954	110
Cl.Cl.CO.CSCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014577	A16B1C17	110	100	110	34.674	110
CO.Nc1cccnc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016102	A23B6C19	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016849	A26B1C20	110	100	110	48.978	110
O.CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1ncc[nH]1	MC-0000009882	A30B10C10	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015529	A31B9C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016094	A22B14C19	110	100	110	110	110
CO.Nc1ccccc1.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003503	A27B15C1	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CSCCC=O.NC(=O)c1ccc(N)nc1	MC-0000012478	A16B14C14	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014467	A9B3C17	110	100	110	40.738	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1C=O	MC-0000004404	A40B4C2	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010327	A14B7C11	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1	MC-0000018850	A19B2C23	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008013	A1B13C8	64.565	100	110	26.915	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015832	A6B8C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017177	A2B9C21	110	100	110	110	110
CO.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015164	A8B12C18	110	100	110	110	110
O.CO.Nc1ccncc1.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019956	A44B4C24	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015204	A11B4C18	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CC1	MC-0000010002	A38B2C10	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006429	A34B13C5	38.019	68.8	92.35	19.055	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000012819	A38B3C14	110	100	110	52.481	110
O.CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006798	A13B14C6	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008888	A12B8C9	110	100	110	110	110
CO.Nc1cccnc1.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005766	A37B6C4	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1	MC-0000006216	A21B8C5	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008285	A18B13C8	33.884	100	110	26.303	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014172	A34B12C16	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1	MC-0000003977	A13B9C2	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016832	A24B16C20	110	100	110	70.795	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016199	A29B7C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019389	A8B13C24	47.863	100	110	27.542	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011019	A13B11C12	40.738	100	64.63	47.863	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.NCc1cccnc1	MC-0000004748	A17B12C3	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1	MC-0000012766	A34B14C14	110	100	110	110	110
CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000003792	A1B16C2	110	26.5	91.09	5.37	110
Cl.CO.NCc1cccc(N)c1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016169	A27B9C19	110	100	110	25.704	110
CO.CSCCC=O.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016703	A16B15C20	110	100	110	110	110
CO.CCCC[N+]#[C-].CSCCC=O.NCc1ccc(N)cc1	MC-0000012469	A16B5C14	110	100	110	110	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019657	A25B9C24	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008724	A2B4C9	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000004781	A19B13C3	41.687	100	66.16	15.488	110
CO.Nc1cccnc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016166	A27B6C19	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=CCCc1ccccc1	MC-0000004717	A15B13C3	48.978	75.1	98.56	30.2	110
CO.CC(C)CC=O.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005252	A5B4C4	110	100	110	110	110
CO.NCc1ccncc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015978	A15B10C19	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019415	A10B7C24	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000007054	A29B14C6	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.C=O	MC-0000006586	A44B10C5	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017592	A28B8C21	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000007043	A29B3C6	110	100	110	61.66	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000009585	A12B1C10	110	100	110	37.154	110
Cl.CO.NCc1cccc(N)c1.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008297	A19B9C8	110	100	110	42.658	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000006553	A42B9C5	110	100	110	69.183	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000011336	A33B8C12	110	100	110	110	110
CO.Nc1ccccc1.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008303	A19B15C8	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014175	A34B15C16	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016202	A29B10C19	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016488	A3B8C20	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017355	A13B11C21	110	100	88.3	52.481	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014425	A6B9C17	110	100	110	12.303	110
O.CO.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017422	A17B14C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000011696	A11B16C13	110	100	110	64.565	110
CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000018106	A16B10C22	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000007200	A38B16C6	110	100	110	85.114	110
Cl.Cl.CO.CCCCCC=O.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000009419	A1B11C10	70.795	100	67.06	33.884	110
CO.Nc1cccnc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015798	A4B6C19	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015786	A3B10C19	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].Nc1ccccc1	MC-0000010399	A18B15C11	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014442	A7B10C17	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016185	A28B9C19	110	100	110	69.183	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016737	A19B1C20	110	100	110	51.286	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000011581	A4B13C13	66.069	100	110	25.704	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004882	A26B2C3	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=CC1CC1	MC-0000004373	A38B5C2	110	100	110	110	110
O.CO.CSCCC=O.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019518	A16B14C24	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013740	A7B12C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015182	A9B14C18	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017349	A13B5C21	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015503	A29B15C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019560	A19B8C24	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008231	A15B7C8	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1	MC-0000004518	A3B6C3	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003350	A18B6C1	110	100	110	110	110
O.CO.C[N+]#[C-].Nc1ccncc1.O=Cc1ncc[nH]1	MC-0000010580	A30B4C11	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc[nH]1	MC-0000011178	A23B10C12	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011207	A25B7C12	110	100	110	110	110
CO.CCCCCC=O.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000009424	A1B16C10	110	86.8	110	21.878	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017262	A7B14C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016477	A2B13C20	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.OCC=O	MC-0000004356	A37B4C2	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019336	A5B8C24	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007736	A28B8C7	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015489	A29B1C18	110	100	110	69.183	110
CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1	MC-0000012263	A3B7C14	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003992	A14B8C2	110	100	110	110	110
O.CO.CSCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005438	A16B14C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011936	A26B16C13	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000017092	A41B4C20	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019333	A5B5C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019784	A33B8C24	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000012355	A9B3C14	110	100	110	50.119	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013127	A13B7C15	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014317	A43B13C16	27.542	44.3	110	51.286	110
CO.Nc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015222	A12B6C18	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007208	A39B8C6	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N	MC-0000012657	A28B1C14	110	100	110	72.444	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014484	A10B4C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016792	A22B8C20	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016490	A3B10C20	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005222	A3B6C4	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014573	A15B13C17	38.019	100	110	42.658	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000006551	A42B7C5	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000010963	A10B3C12	110	100	110	56.234	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007733	A28B5C7	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017516	A23B12C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000011685	A11B5C13	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016578	A9B2C20	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007721	A27B9C7	110	100	110	58.884	110
O.Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.C=O	MC-0000011505	A44B1C12	110	100	110	67.608	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016624	A11B16C20	110	63.8	79.03	63.096	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=CCCc1ccccc1	MC-0000018793	A15B9C23	110	100	110	79.433	110
O.CO.C[N+]#[C-].Nc1cccc(N)c1.C=O	MC-0000010807	A44B7C11	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010561	A29B1C11	110	100	110	56.234	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000017953	A7B1C22	110	100	110	45.709	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003343	A17B15C1	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016880	A27B16C20	110	100	110	70.795	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccn1	MC-0000011319	A32B7C12	110	100	110	110	110
CO.Nc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013927	A19B7C16	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccs1	MC-0000019113	A35B9C23	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012846	A39B14C14	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016663	A14B7C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007407	A7B15C7	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.NCc1ccncc1	MC-0000007274	A43B10C6	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011776	A16B16C13	110	100	110	72.444	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014532	A13B4C17	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007363	A5B3C7	110	100	110	83.176	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000005004	A33B12C3	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019370	A7B10C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016542	A6B14C20	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007637	A22B5C7	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006290	A26B2C5	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015402	A23B10C18	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=CC1CC1	MC-0000011414	A38B6C12	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019611	A22B11C24	110	100	55	38.019	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005455	A17B15C4	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016787	A22B3C20	110	100	110	58.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017376	A14B16C21	110	100	110	57.544	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=CC1CC1	MC-0000012127	A38B15C13	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000011747	A15B3C13	110	100	110	69.183	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017188	A3B4C21	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012633	A26B9C14	110	100	110	75.858	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1	MC-0000011710	A12B14C13	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000012376	A10B8C14	110	100	110	110	110
CO.CSCCC=O.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017404	A16B12C21	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014793	A29B9C17	110	100	110	6.761	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.OCc1ccc(C=O)o1	MC-0000011116	A19B12C12	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1ccncc1	MC-0000006868	A18B4C6	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009186	A31B2C9	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007728	A27B16C7	110	100	110	61.66	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000018841	A18B9C23	110	100	110	34.674	110
CO.NCc1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014629	A19B5C17	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007738	A28B10C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000018896	A21B16C23	110	100	110	69.183	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1	MC-0000006206	A20B14C5	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000012537	A20B9C14	110	100	110	41.687	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008436	A28B4C8	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000018336	A30B16C22	110	100	110	47.863	110
CO.Nc1cccnc1.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005782	A38B6C4	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013315	A25B3C15	110	100	110	61.66	110
O.Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.C=O	MC-0000012923	A44B11C14	54.954	100	4.69	17.378	110
CO.CC(C)CC=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015109	A5B5C18	110	100	110	110	110
CO.Nc1ccccc1.OCC=O.C=CC[N+]#[C-]	MC-0000008591	A37B15C8	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000010259	A10B3C11	110	100	110	63.096	110
CO.Nc1ccccc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015071	A2B15C18	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.OCC=O	MC-0000007178	A37B10C6	110	100	110	110	110
Cl.CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1	MC-0000004857	A24B9C3	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015297	A17B1C18	110	100	110	56.234	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000017930	A5B10C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccs1	MC-0000019115	A35B11C23	110	100	87.94	72.444	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006995	A26B3C6	110	100	110	54.954	110
CO.CC(C)CC=O.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008778	A5B10C9	110	100	110	110	110
CO.COCC[N+]#[C-].CC(C)CC=O.Nc1cccnc1	MC-0000009478	A5B6C10	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014177	A35B1C16	110	100	110	67.608	110
O.CO.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000016494	A3B14C20	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015761	A2B1C19	69.183	100	110	32.359	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016429	A43B13C19	18.621	100	110	37.154	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.C=O	MC-0000019255	A44B7C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=CC1CCCCC1	MC-0000018181	A21B5C22	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019299	A3B3C24	110	100	110	33.884	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010278	A11B6C11	110	100	110	110	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011929	A26B9C13	110	100	110	48.978	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000005911	A2B7C5	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000006780	A12B12C6	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014165	A34B5C16	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000011363	A35B3C12	110	100	110	93.325	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019654	A25B6C24	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].CSCCC=O.NC(=N)c1cccc(N)c1	MC-0000012477	A16B13C14	30.2	100	110	27.542	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019387	A8B11C24	110	100	69.4	37.154	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccccn1	MC-0000012726	A32B6C14	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccco1	MC-0000011601	A6B1C13	110	100	110	58.884	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000019207	A41B7C23	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008039	A3B7C8	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.OCC=O	MC-0000007181	A37B13C6	22.387	47.5	68.05	4.898	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1cccs1	MC-0000004330	A35B10C2	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013234	A20B2C15	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000018663	A7B7C23	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006173	A18B13C5	58.884	100	110	34.674	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007503	A13B15C7	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccn1	MC-0000012733	A32B13C14	30.903	100	110	22.387	110
CO.NCc1ccncc1.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017658	A32B10C21	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1	MC-0000006987	A25B11C6	100	86.3	72.1	32.359	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008631	A40B7C8	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016092	A22B12C19	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000006448	A35B16C5	110	100	110	48.978	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010276	A11B4C11	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013153	A15B1C15	110	100	110	75.858	110
CO.CCCCCC=O.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015754	A1B10C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017449	A19B9C21	110	100	110	77.625	110
CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010496	A24B16C11	110	100	110	69.183	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015808	A4B16C19	110	71.4	110	44.668	110
O.Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000009883	A30B11C10	100	100	59.5	33.884	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017326	A11B14C21	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000018308	A29B4C22	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019707	A28B11C24	110	100	40.24	14.791	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008911	A13B15C9	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017194	A3B10C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008240	A15B16C8	110	100	110	57.544	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015566	A33B14C18	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCc1ccccc1	MC-0000019041	A31B1C23	110	100	110	28.84	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003509	A28B5C1	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019658	A25B10C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015269	A15B5C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009128	A27B8C9	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc[nH]1	MC-0000009764	A23B4C10	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019357	A6B13C24	11.749	77.9	110	9.12	110
CO.Nc1ccncc1.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017732	A37B4C21	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013135	A13B15C15	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000009562	A10B10C10	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017535	A24B15C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=CCCc1ccccc1	MC-0000018790	A15B6C23	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000005941	A4B5C5	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017711	A35B15C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016379	A40B11C19	110	100	110	21.38	91.201
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014501	A11B5C17	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1ncc[nH]1	MC-0000018332	A30B12C22	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=CC1CC1	MC-0000012826	A38B10C14	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016722	A18B2C20	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1	MC-0000005150	A42B14C3	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000009005	A19B13C9	110	100	110	29.512	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003691	A39B11C1	110	100	82.09	30.903	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017648	A31B16C21	110	100	110	32.359	110
Cl.Cl.CO.CSCCC=O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008243	A16B3C8	110	100	110	58.884	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006973	A24B13C6	72.444	100	110	31.623	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016475	A2B11C20	110	100	55.63	36.308	110
CO.NCc1ccncc1.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003626	A35B10C1	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1	MC-0000012024	A32B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011736	A14B8C13	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008334	A21B14C8	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003115	A3B11C1	93.325	100	74.71	26.303	110
O.CO.CCCCCC=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003080	A1B8C1	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000009514	A7B10C10	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013028	A7B4C15	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018568	A1B8C23	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N	MC-0000012611	A25B3C14	110	100	110	57.544	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005800	A39B8C4	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000011766	A16B6C13	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1ccco1	MC-0000009498	A6B10C10	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000017954	A7B2C22	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003468	A25B12C1	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013835	A13B11C16	77.625	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014571	A15B11C17	110	100	79.12	46.774	110
O.Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1	MC-0000012689	A30B1C14	110	100	110	26.915	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005816	A40B8C4	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008286	A18B14C8	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1	MC-0000004328	A35B8C2	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000011260	A28B12C12	110	100	110	110	110
CO.NCc1cccnc1.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007884	A37B12C7	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012841	A39B9C14	110	100	110	66.069	110
CO.NCc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014364	A2B12C17	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013268	A22B4C15	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013853	A14B13C16	40.738	100	110	61.66	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007800	A32B8C7	110	100	110	110	110
CO.Nc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012980	A4B4C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016599	A10B7C20	110	100	110	110	110
CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000011062	A16B6C12	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005092	A39B4C3	110	100	110	110	110
CO.COCC[N+]#[C-].CC(=O)C=O.Nc1cccnc1	MC-0000010054	A41B6C10	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000017988	A9B4C22	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019430	A11B6C24	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003274	A13B10C1	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007401	A7B9C7	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014851	A33B3C17	110	100	110	30.903	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017351	A13B7C21	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000012225	A1B1C14	110	100	110	43.652	110
CO.CC(C)CC=O.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003142	A5B6C1	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007978	A43B10C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008528	A33B16C8	110	100	110	53.703	110
CO.Nc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007604	A20B4C7	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1	MC-0000012008	A31B8C13	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010287	A11B15C11	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006840	A16B8C6	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015497	A29B9C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007705	A26B9C7	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007584	A18B16C7	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000004080	A19B16C2	110	100	110	7.762	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015361	A21B1C18	110	100	110	70.795	110
CO.Nc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014692	A23B4C17	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000006134	A16B6C5	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O	MC-0000004408	A40B8C2	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008798	A6B14C9	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000009923	A33B3C10	110	100	110	70.795	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=CCc1ccccc1	MC-0000012711	A31B7C14	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015847	A7B7C19	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003352	A18B8C1	110	100	110	110	110
O.CO.Nc1ccncc1.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013620	A44B4C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003496	A27B8C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017378	A15B2C21	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000016894	A28B14C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016749	A19B13C20	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016206	A29B14C19	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O	MC-0000011950	A27B14C13	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=CCc1ccccc1	MC-0000007081	A31B9C6	110	100	110	46.774	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013074	A10B2C15	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007343	A3B15C7	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008130	A9B2C8	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.Clc1ccc(C=O)cc1	MC-0000017908	A4B4C22	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019449	A12B9C24	110	100	110	48.978	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019445	A12B5C24	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017047	A38B7C20	110	100	110	110	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000017104	A41B16C20	110	100	110	60.256	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1	MC-0000004873	A25B9C3	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003117	A3B13C1	110	100	110	28.184	110
CO.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016514	A5B2C20	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1	MC-0000018907	A22B11C23	100	100	76.33	26.915	110
CO.NCc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005372	A12B12C4	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000012383	A10B15C14	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017042	A38B2C20	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015985	A16B1C19	41.687	100	110	20.417	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000009578	A11B10C10	110	100	99.91	110	110
O.CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.C=O	MC-0000010802	A44B2C11	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013060	A9B4C15	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019943	A43B7C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008526	A33B14C8	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014082	A29B2C16	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015947	A13B11C19	110	100	110	72.444	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017073	A40B1C20	97.724	100	110	38.019	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019656	A25B8C24	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CC1	MC-0000012123	A38B11C13	110	100	87.04	66.069	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016983	A34B7C20	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O	MC-0000004034	A17B2C2	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018062	A13B14C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000018513	A42B1C22	110	100	110	46.774	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010019	A39B3C10	110	100	110	97.724	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003101	A2B13C1	110	100	110	42.658	110
CO.NCc1ccncc1.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016954	A32B10C20	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1ccccc1	MC-0000006863	A17B15C6	110	100	110	110	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000018331	A30B11C22	110	100	66.25	33.113	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005621	A28B5C4	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014247	A39B7C16	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CCCCC1	MC-0000006913	A21B1C6	110	100	110	67.608	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017827	A43B3C21	110	100	110	66.069	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017809	A42B1C21	110	100	110	53.703	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1	MC-0000004041	A17B9C2	110	100	110	53.703	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000009590	A12B6C10	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O	MC-0000007122	A34B2C6	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014716	A24B12C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016784	A21B16C20	110	100	110	63.096	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1	MC-0000012462	A15B14C14	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000017921	A5B1C22	110	100	110	60.256	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016446	A44B14C19	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018120	A17B8C22	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015064	A2B8C18	110	100	110	110	110
CO.Nc1cccnc1.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017030	A37B6C20	110	100	110	110	110
CO.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017274	A8B10C21	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015331	A19B3C18	110	100	110	53.703	110
CO.CCCCCC=O.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008711	A1B7C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013509	A37B5C15	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005578	A25B10C4	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016067	A21B3C19	110	100	110	37.154	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018715	A10B11C23	69.183	100	76.6	36.308	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017544	A25B8C21	110	100	110	110	110
CO.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019887	A39B15C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005741	A35B13C4	12.589	100	110	14.125	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000018757	A13B5C23	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018318	A29B14C22	110	100	110	110	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019729	A30B1C24	110	100	110	12.303	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000005138	A42B2C3	110	100	110	110	110
O.CO.NCc1cccnc1.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007996	A44B12C7	110	100	110	110	110
CO.CSCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007538	A16B2C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015205	A11B5C18	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018780	A14B12C23	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019355	A6B11C24	85.114	100	61.75	26.303	110
CO.CCOC(=O)C1CC1C=O.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016820	A24B4C20	110	100	110	110	110
CO.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017279	A8B15C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013817	A12B9C16	110	100	110	56.234	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000012064	A34B16C13	110	100	110	29.512	110
CO.Nc1ccncc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019492	A15B4C24	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008469	A30B5C8	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012944	A1B16C15	110	93.1	110	29.512	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015090	A4B2C18	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008896	A12B16C9	110	100	82.54	36.308	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019528	A17B8C24	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010514	A26B2C11	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011805	A18B13C13	57.544	100	110	25.704	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000010994	A12B2C12	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015619	A37B3C18	79.433	100	78.85	29.512	110
CO.CC(C)CC=O.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013701	A5B5C16	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000003911	A9B7C2	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1	MC-0000009449	A3B9C10	110	100	110	85.114	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016110	A23B14C19	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007735	A28B7C7	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].Nc1cccnc1	MC-0000009862	A29B6C10	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O	MC-0000012145	A40B1C13	87.096	100	110	47.863	110
CO.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017775	A39B15C21	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014426	A6B10C17	110	100	110	110	110
O.CO.Nc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014804	A30B4C17	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011221	A26B5C12	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N	MC-0000006865	A18B1C6	110	100	110	44.668	110
Cl.Cl.CO.CC(C)CC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014403	A5B3C17	110	100	110	56.234	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015458	A27B2C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015330	A19B2C18	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006815	A14B15C6	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000019002	A28B10C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005600	A26B16C4	110	100	110	83.176	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008358	A23B6C8	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000009409	A1B1C10	110	100	110	41.687	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=CCc1ccccc1	MC-0000012709	A31B5C14	110	100	110	110	110
CO.NCc1cccnc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015980	A15B12C19	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O	MC-0000004302	A33B14C2	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015970	A15B2C19	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N	MC-0000010081	A43B1C10	110	100	110	48.978	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017752	A38B8C21	110	100	110	110	110
CO.NCc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013932	A19B12C16	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019911	A41B7C24	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1	MC-0000003974	A13B6C2	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000006549	A42B5C5	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000006483	A38B3C5	110	100	110	63.096	110
CO.Nc1cccnc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019782	A33B6C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005493	A20B5C4	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017569	A27B1C21	54.954	100	110	41.687	110
CO.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016362	A39B10C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003486	A26B14C1	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006020	A9B4C5	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015726	A43B14C18	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1	MC-0000011006	A12B14C12	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013851	A14B11C16	52.481	100	110	48.978	110
CO.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005301	A8B5C4	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.Clc1nc2ccccc2cc1C=O	MC-0000005007	A33B15C3	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016483	A3B3C20	110	100	110	45.709	110
CO.Nc1ccncc1.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016948	A32B4C20	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006295	A26B7C5	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014444	A7B12C17	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014778	A28B10C17	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018259	A26B3C22	110	100	110	53.703	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014624	A18B16C17	110	100	110	35.481	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010286	A11B14C11	110	100	110	110	110
CO.Nc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005476	A19B4C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014158	A33B14C16	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014138	A32B10C16	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005195	A1B11C4	56.234	74.8	54.46	33.884	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008154	A10B10C8	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016513	A5B1C20	110	100	110	63.096	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000006150	A17B6C5	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005823	A40B15C4	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014413	A5B13C17	48.978	100	110	36.308	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O	MC-0000006513	A40B1C5	58.884	100	110	36.308	110
CO.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012981	A4B5C15	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017551	A25B15C21	110	100	110	110	110
CO.Nc1cccc(N)c1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019559	A19B7C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013723	A6B11C16	37.154	100	50.59	21.38	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=CCc1ccccc1	MC-0000006378	A31B10C5	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003328	A16B16C1	110	100	43.48	50.119	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006707	A8B3C6	110	100	110	75.858	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008031	A2B15C8	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000018611	A4B3C23	110	100	110	48.978	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009528	A8B8C10	110	100	110	110	110
O.CO.CC(C)CC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013006	A5B14C15	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N	MC-0000007025	A28B1C6	110	100	110	51.286	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014385	A4B1C17	110	100	110	24.547	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2	MC-0000012367	A9B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000012410	A12B10C14	110	100	110	39.811	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.NC(=N)c1ccc(N)cc1	MC-0000003851	A5B11C2	110	100	59.5	30.903	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016010	A17B10C19	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000003796	A2B4C2	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013778	A10B2C16	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017195	A3B11C21	110	100	56.98	20.417	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013320	A25B8C15	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019594	A21B10C24	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016385	A41B1C19	52.481	100	110	14.791	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016747	A19B11C20	97.724	100	56.53	33.113	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016026	A18B10C19	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013129	A13B9C15	110	100	110	70.795	110
O.CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000009790	A24B14C10	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017481	A21B9C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017495	A22B7C21	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011216	A25B16C12	110	100	110	87.096	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016560	A7B16C20	110	100	110	58.884	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018050	A13B2C22	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007787	A31B11C7	95.499	100	66.34	35.481	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013859	A15B3C16	110	100	110	77.625	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018777	A14B9C23	110	100	110	66.069	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000004256	A30B16C2	110	100	110	14.791	110
Cl.Cl.CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011771	A16B11C13	9.772	100	51.94	13.183	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015419	A24B11C18	110	100	93.52	43.652	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008090	A6B10C8	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1	MC-0000009720	A20B8C10	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013655	A2B7C16	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000018761	A13B9C23	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011984	A29B16C13	110	100	110	64.565	110
CO.Nc1ccccc1.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013519	A37B15C15	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1ccccn1	MC-0000006399	A32B15C5	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1	MC-0000010878	A4B14C12	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12	MC-0000009438	A2B14C10	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000010781	A42B13C11	36.308	100	99.91	31.623	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013981	A22B13C16	22.387	100	96.22	35.481	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011025	A14B1C12	110	100	110	46.774	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000009102	A25B14C9	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015892	A10B4C19	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O	MC-0000004194	A27B2C2	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1	MC-0000006830	A15B14C6	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014163	A34B3C16	110	100	46.72	17.783	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008961	A17B1C9	110	100	110	44.668	110
CO.Nc1ccccc1.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013983	A22B15C16	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013345	A27B1C15	42.658	100	110	19.953	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008944	A15B16C9	110	100	110	51.286	110
CO.NCc1cccnc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019372	A7B12C24	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000011241	A27B9C12	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015506	A30B2C18	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015152	A7B16C18	110	100	110	60.256	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003121	A4B1C1	75.858	100	110	67.608	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=CC1CC1	MC-0000008598	A38B6C8	110	100	110	110	110
CO.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008770	A5B2C9	110	100	110	110	110
CO.CSCCC=O.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008956	A16B12C9	110	100	110	51.286	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2	MC-0000017999	A9B15C22	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011643	A8B11C13	110	100	51.04	30.2	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000019168	A38B16C23	110	100	110	46.774	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010558	A28B14C11	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017476	A21B4C21	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.OCc1ccc(C=O)o1	MC-0000006180	A19B4C5	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014048	A26B16C16	110	100	110	57.544	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003099	A2B11C1	110	100	110	35.481	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CC1	MC-0000012125	A38B13C13	60.256	100	110	31.623	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004605	A8B13C3	66.069	100	94.87	25.704	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1	MC-0000004683	A13B11C3	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014702	A23B14C17	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1	MC-0000012615	A25B7C14	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016650	A13B10C20	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=CCc1ccccc1	MC-0000012004	A31B4C13	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016992	A34B16C20	110	89.6	110	32.359	110
CO.CCCCCC=O.CCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000012231	A1B7C14	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014884	A35B4C17	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.NCc1ccc(N)cc1	MC-0000003845	A5B5C2	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=CCCc1ccccc1	MC-0000004708	A15B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.NCc1ccncc1	MC-0000004746	A17B10C3	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000007051	A29B11C6	100	100	75.16	33.884	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1	MC-0000018785	A15B1C23	91.201	100	110	15.488	110
O.CO.COCC[N+]#[C-].Nc1cccnc1.C=O	MC-0000010102	A44B6C10	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014504	A11B8C17	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1ccccn1	MC-0000004988	A32B12C3	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016491	A3B11C20	110	100	52.21	26.915	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000012202	A43B10C13	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013789	A10B13C16	42.658	100	110	51.286	110
O.CO.NCc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017626	A30B10C21	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000019247	A43B15C23	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000012886	A42B6C14	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011489	A43B1C12	110	100	110	45.709	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015537	A32B1C18	89.125	100	110	42.658	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.Clc1ccc(C=O)cc1	MC-0000017919	A4B15C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=CC1CC1	MC-0000019157	A38B5C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=CC=Cc1ccccc1	MC-0000011836	A20B12C13	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=CCc1ccccc1	MC-0000011311	A31B15C12	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000007257	A42B9C6	110	100	110	25.704	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000018657	A7B1C23	110	100	110	61.66	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003384	A20B8C1	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008329	A21B9C8	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017489	A22B1C21	110	100	110	48.978	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007821	A33B13C7	40.738	84.1	110	24.547	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=CC1CC1	MC-0000018455	A38B7C22	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.Nc1cccnc1	MC-0000005126	A41B6C3	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013608	A43B8C15	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1ncc[nH]1	MC-0000012698	A30B10C14	110	100	110	110	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008170	A11B10C8	110	100	99.91	42.658	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016289	A35B1C19	23.988	100	110	20.417	110
Cl.CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000019209	A41B9C23	110	100	110	26.303	110
Cl.CO.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013545	A39B9C15	110	100	110	64.565	110
CO.Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014439	A7B7C17	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005348	A11B4C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015664	A39B16C18	110	100	110	72.444	110
Cl.Cl.CO.CC(C)CC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015107	A5B3C18	110	100	110	67.608	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009022	A20B14C9	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019745	A31B1C24	37.154	100	110	20.417	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013107	A12B3C15	110	100	110	33.113	110
Cl.CO.NCc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013257	A21B9C15	110	100	110	83.176	110
CO.Nc1cccc(N)c1.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019815	A35B7C24	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018542	A43B14C22	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019398	A9B6C24	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003544	A30B8C1	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006272	A24B16C5	110	100	110	34.674	110
CO.NCc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013290	A23B10C15	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014289	A42B1C16	110	100	110	46.774	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007339	A3B11C7	110	100	73.63	22.387	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000003943	A11B7C2	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017660	A32B12C21	110	100	110	110	110
CO.Nc1ccccc1.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014575	A15B15C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000011813	A19B5C13	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2	MC-0000004623	A9B15C3	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015173	A9B5C18	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016331	A37B11C19	42.658	100	70.3	24.547	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003518	A28B14C1	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008983	A18B7C9	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016383	A40B15C19	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000012401	A12B1C14	110	100	110	38.019	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011355	A34B11C12	33.884	100	26.83	15.849	110
CO.NCc1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014421	A6B5C17	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010731	A39B11C11	110	100	110	29.512	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1	MC-0000006236	A22B12C5	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005622	A28B6C4	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006101	A14B5C5	110	100	110	110	110
O.Cl.CO.NCc1cccc(N)c1.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003769	A44B9C1	110	100	110	81.283	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014265	A40B9C16	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006417	A34B1C5	110	100	110	26.303	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccco1	MC-0000009502	A6B14C10	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016523	A5B11C20	110	100	58.87	37.154	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1	MC-0000006628	A3B4C6	110	100	110	110	110
O.Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.C=O	MC-0000011517	A44B13C12	36.308	100	30.07	18.621	110
CO.Nc1cccnc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019894	A40B6C24	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015482	A28B10C18	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012967	A3B7C15	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007638	A22B6C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC=O.C=CC[N+]#[C-]	MC-0000008585	A37B9C8	110	100	110	21.38	110
O.Cl.CO.NCc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013401	A30B9C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003742	A42B14C1	110	100	110	110	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccco1	MC-0000011609	A6B9C13	110	100	110	20.893	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.C=O	MC-0000004468	A44B4C2	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000011340	A33B12C12	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013272	A22B8C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015554	A33B2C18	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013923	A19B3C16	110	100	110	70.795	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016278	A34B6C19	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013216	A18B16C15	110	52.8	110	30.903	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017360	A13B16C21	110	100	110	63.096	110
CO.Nc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009015	A20B7C9	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1	MC-0000004917	A28B5C3	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].NCc1ccncc1	MC-0000010154	A3B10C11	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N	MC-0000012675	A29B3C14	110	100	110	50.119	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000004651	A11B11C3	93.325	100	55.72	30.903	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000005930	A3B10C5	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013453	A33B13C15	28.84	100	110	25.704	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018144	A18B16C22	110	100	110	28.184	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016198	A29B6C19	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000007128	A34B8C6	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007850	A35B10C7	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000017091	A41B3C20	110	100	110	39.811	110
Cl.CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011497	A43B9C12	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005731	A35B3C4	110	100	110	51.286	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=CC1CC1	MC-0000008606	A38B14C8	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013239	A20B7C15	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019331	A5B3C24	110	100	110	42.658	110
CO.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014255	A39B15C16	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1	MC-0000004933	A29B5C3	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014516	A12B4C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017664	A32B16C21	110	100	110	72.444	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006505	A39B9C5	110	100	110	67.608	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016771	A21B3C20	110	100	110	51.286	110
CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000007040	A28B16C6	110	100	110	58.884	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CCCCC1	MC-0000018891	A21B11C23	110	100	89.47	47.863	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009818	A26B10C10	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013549	A39B13C15	17.783	100	79.39	23.442	110
CO.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016978	A34B2C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016632	A12B8C20	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013181	A16B13C15	39.811	100	110	16.982	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1	MC-0000018210	A23B2C22	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015381	A22B5C18	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004188	A26B12C2	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019890	A40B2C24	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccn1	MC-0000019067	A32B11C23	110	100	110	15.488	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005632	A28B16C4	110	100	110	60.256	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008971	A17B11C9	110	100	64.99	34.674	110
CO.CCOC(=O)C1CC1C=O.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015418	A24B10C18	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013831	A13B7C16	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.OCc1ccc(C=O)o1	MC-0000012522	A19B10C14	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008232	A15B8C8	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014215	A37B7C16	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000011824	A19B16C13	110	100	110	50.119	110
O.CO.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016174	A27B14C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=CC1CCCCC1	MC-0000018890	A21B10C23	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017540	A25B4C21	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016673	A15B1C20	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12	MC-0000010846	A2B14C12	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011733	A14B5C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005536	A22B16C4	110	100	110	69.183	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000006086	A13B6C5	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007341	A3B13C7	100	100	110	27.542	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000005147	A42B11C3	110	100	57.43	27.542	110
CO.NCc1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014133	A32B5C16	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1	MC-0000012274	A4B2C14	110	100	110	110	110
O.CO.C[N+]#[C-].Nc1ccccc1.C=O	MC-0000010815	A44B15C11	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016401	A42B1C19	34.674	100	110	21.38	110
CO.Nc1cccnc1.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016342	A38B6C19	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013505	A37B1C15	51.286	100	110	33.113	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013032	A7B8C15	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019290	A2B10C24	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015667	A40B3C18	110	100	110	52.481	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008610	A39B2C8	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015121	A6B1C18	110	100	110	61.66	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013841	A14B1C16	110	100	110	42.658	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000009760	A22B16C10	110	100	110	66.069	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000017872	A1B16C22	110	90	110	50.119	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000005924	A3B4C5	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013470	A34B14C15	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1	MC-0000004536	A4B8C3	110	100	110	110	110
Cl.CO.CC(C)CC=O.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017225	A5B9C21	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014966	A40B6C17	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CC(=O)C=O.NCc1ccc(cc1)C(=N)N	MC-0000007235	A41B3C6	110	100	110	56.234	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019645	A24B13C24	33.884	100	110	11.22	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013773	A9B13C16	19.498	100	110	43.652	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006098	A14B2C5	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2	MC-0000011662	A9B14C13	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014069	A28B5C16	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015226	A12B10C18	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011922	A26B2C13	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1	MC-0000009752	A22B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019512	A16B8C24	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1ncc[nH]1	MC-0000011292	A30B12C12	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000006421	A34B5C5	110	100	110	63.096	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=CC1CC1	MC-0000012831	A38B15C14	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCCc1ccccc1	MC-0000012461	A15B13C14	47.863	100	110	36.308	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011645	A8B13C13	61.66	100	110	31.623	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000018583	A2B7C23	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018945	A25B1C23	110	100	110	53.703	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014035	A26B3C16	110	100	110	42.658	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007472	A11B16C7	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O	MC-0000004402	A40B2C2	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016421	A43B5C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccccn1	MC-0000018356	A32B4C22	110	100	110	110	110
CO.Nc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013860	A15B4C16	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008225	A15B1C8	110	100	110	77.625	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1	MC-0000004053	A18B5C2	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].CC(=O)C=O.NCc1cccc(N)c1	MC-0000012873	A41B9C14	110	100	110	23.442	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015102	A4B14C18	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.OCc1ccc(C=O)o1	MC-0000012516	A19B4C14	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1cccs1	MC-0000004335	A35B15C2	110	100	110	110	110
CO.Nc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005238	A4B6C4	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013787	A10B11C16	67.608	100	82.36	35.481	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014862	A33B14C17	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016618	A11B10C20	110	100	110	110	38.019
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000004655	A11B15C3	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010325	A14B5C11	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016191	A28B15C19	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017059	A39B3C20	110	100	110	58.884	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013965	A21B13C16	38.019	100	110	69.183	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014022	A25B6C16	110	100	110	110	110
Cl.CO.CC(C)CC=O.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007369	A5B9C7	110	100	110	110	110
CO.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019380	A8B4C24	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019587	A21B3C24	110	100	110	41.687	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O	MC-0000004210	A28B2C2	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017526	A24B6C21	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000017883	A2B11C22	110	100	99.91	66.069	110
CO.C[N+]#[C-].CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010192	A5B16C11	110	100	110	87.096	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O	MC-0000011938	A27B2C13	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CCCCC1	MC-0000018177	A21B1C22	110	100	110	54.954	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=CCc1ccccc1	MC-0000012015	A31B15C13	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000018019	A11B3C22	110	100	44.2	72.444	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013363	A28B3C15	110	100	110	44.668	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006726	A9B6C6	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015501	A29B13C18	42.658	100	110	25.704	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000006048	A10B16C5	110	100	110	58.884	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014723	A25B3C17	110	100	110	70.795	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.OCC=O	MC-0000011405	A37B13C12	20.893	100	90.55	9.333	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1	MC-0000018903	A22B7C23	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012953	A2B9C15	110	100	110	53.703	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].Nc1cccnc1	MC-0000010502	A25B6C11	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010360	A16B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000018712	A10B8C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1	MC-0000019106	A35B2C23	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000012544	A20B16C14	110	100	110	60.256	110
CO.NCc1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005605	A27B5C4	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=CC1CCCCC1	MC-0000018889	A21B9C23	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016057	A20B9C19	110	100	110	57.544	110
CO.NCc1cccnc1.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016956	A32B12C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013998	A23B14C16	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.OCC=O	MC-0000012810	A37B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=CCCc1ccccc1	MC-0000012453	A15B5C14	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015830	A6B6C19	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.C=O	MC-0000004470	A44B6C2	110	100	110	110	110
CO.Nc1ccccc1.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005615	A27B15C4	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007905	A39B1C7	110	100	110	72.444	110
CO.NCc1ccncc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015850	A7B10C19	110	100	110	110	110
CO.CSCCC=O.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008255	A16B15C8	110	100	110	110	110
CO.NCc1cccnc1.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016236	A31B12C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016741	A19B5C20	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000018250	A25B10C22	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005514	A21B10C4	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017635	A31B3C21	110	100	80.2	38.905	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010227	A8B3C11	110	100	110	81.283	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000012325	A7B5C14	110	100	110	110	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009171	A30B3C9	110	100	110	45.709	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000006203	A20B11C5	46.774	100	81.73	32.359	110
CO.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017276	A8B12C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019521	A17B1C24	79.433	100	110	24.547	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000011682	A11B2C13	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007755	A29B11C7	100	100	64	29.512	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000012360	A9B8C14	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014066	A28B2C16	110	100	110	110	110
O.CO.Nc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016919	A30B7C20	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008037	A3B5C8	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019604	A22B4C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016808	A23B8C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014367	A2B15C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005790	A38B14C4	110	100	110	110	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008465	A30B1C8	110	100	110	26.915	110
CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000011068	A16B12C12	110	100	110	110	110
Cl.CO.CCCCCC=O.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017161	A1B9C21	110	100	110	74.131	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013451	A33B11C15	45.709	100	16.03	25.704	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000012881	A42B1C14	110	100	110	51.286	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012834	A39B2C14	110	100	110	110	110
CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1	MC-0000004484	A1B4C3	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008089	A6B9C8	110	100	110	23.442	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009148	A28B12C9	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011496	A43B8C12	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016522	A5B10C20	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013818	A12B10C16	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007565	A17B13C7	61.66	32.7	110	22.387	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O	MC-0000011240	A27B8C12	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011954	A28B2C13	110	100	110	110	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016915	A30B3C20	110	100	110	48.978	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000006570	A43B10C5	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015382	A22B6C18	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014428	A6B12C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015968	A14B16C19	100	100	110	38.019	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013547	A39B11C15	110	100	45.37	37.154	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1	MC-0000004078	A19B14C2	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000019083	A33B11C23	81.283	100	51.04	27.542	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018014	A10B14C22	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016517	A5B5C20	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000011983	A29B15C13	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014096	A29B16C16	110	100	110	56.234	110
CO.Nc1cccnc1.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013718	A6B6C16	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1	MC-0000011868	A22B12C13	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1	MC-0000012491	A17B11C14	110	100	110	42.658	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000019206	A41B6C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000011456	A40B16C12	110	100	110	38.019	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017170	A2B2C21	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000004144	A23B16C2	91.201	91.5	99.91	5.623	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1ccco1	MC-0000010902	A6B6C12	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.OCc1ccc(C=O)o1	MC-0000006886	A19B6C6	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015594	A35B10C18	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015086	A3B14C18	110	100	110	110	110
CO.NCc1ccncc1.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017738	A37B10C21	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.NCc1ccncc1	MC-0000012602	A24B10C14	110	100	110	110	110
CO.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016364	A39B12C19	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000010919	A7B7C12	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014369	A3B1C17	110	100	110	37.154	110
CO.CC(C)CC=O.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015820	A5B12C19	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000006545	A42B1C5	110	100	110	52.481	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000019010	A29B2C23	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014980	A41B4C17	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014361	A2B9C17	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010562	A29B2C11	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017754	A38B10C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015966	A14B14C19	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000003804	A2B12C2	110	100	110	110	110
O.CO.NCc1ccncc1.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003770	A44B10C1	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014309	A43B5C16	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017659	A32B11C21	110	100	36.55	46.774	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017241	A6B9C21	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014140	A32B12C16	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008156	A10B12C8	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007967	A42B15C7	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000006778	A12B10C6	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008378	A24B10C8	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.Nc1ccncc1	MC-0000004548	A5B4C3	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017533	A24B13C21	110	100	110	41.687	110
Cl.CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1	MC-0000012505	A18B9C14	110	100	110	72.444	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013771	A9B11C16	38.905	100	99.01	54.954	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=CC1CC1	MC-0000010007	A38B7C10	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016111	A23B15C19	110	100	110	110	110
O.CO.CCCCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012942	A1B14C15	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013197	A17B13C15	63.096	100	110	29.512	110
CO.CC(C)CC=O.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015818	A5B10C19	110	100	110	110	110
CO.Nc1cccnc1.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009190	A31B6C9	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000012739	A33B3C14	110	100	110	63.096	110
CO.NCc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015564	A33B12C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017729	A37B1C21	75.858	100	110	25.704	110
O.CO.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017070	A39B14C20	110	100	110	110	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008410	A26B10C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017240	A6B8C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014593	A17B1C17	110	100	110	25.704	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011966	A28B14C13	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013117	A12B13C15	50.119	100	89.11	20.893	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014576	A15B16C17	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019596	A21B12C24	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccco1	MC-0000018654	A6B14C23	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015255	A14B7C18	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.OCC=O	MC-0000009988	A37B4C10	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019625	A23B9C24	110	100	110	64.565	110
O.CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011598	A5B14C13	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019496	A15B8C24	110	100	110	110	110
CO.Nc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017460	A20B4C21	110	100	110	110	110
CO.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008066	A5B2C8	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.OCC=O	MC-0000005063	A37B7C3	110	100	110	110	110
CO.Nc1ccccc1.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005775	A37B15C4	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000006893	A19B13C6	39.811	85.7	110	23.988	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000019081	A33B9C23	110	100	110	46.774	110
Cl.Cl.CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011069	A16B13C12	30.2	100	110	30.2	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014627	A19B3C17	110	100	110	40.738	110
CO.Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015956	A14B4C19	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc[nH]1	MC-0000004140	A23B12C2	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008092	A6B12C8	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017179	A2B11C21	110	100	110	61.66	110
CO.Nc1cccnc1.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014662	A21B6C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014466	A9B2C17	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014929	A38B1C17	110	100	110	53.703	110
CO.CC(C)CC=O.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013708	A5B12C16	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005507	A21B3C4	110	100	110	54.954	110
Cl.CO.NCc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013945	A20B9C16	110	100	110	51.286	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016947	A32B3C20	110	100	110	58.884	110
CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000009856	A28B16C10	110	100	110	56.234	110
CO.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015314	A18B2C18	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018235	A24B11C22	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000012720	A31B16C14	110	100	110	60.256	110
CO.Nc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014183	A35B7C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013346	A27B2C15	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008439	A28B7C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013218	A19B2C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015383	A22B7C18	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014814	A30B14C17	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005603	A27B3C4	110	100	110	31.623	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc[nH]1	MC-0000006956	A23B12C6	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000019238	A43B6C23	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016093	A22B13C19	35.481	100	110	30.2	110
O.CO.CCCCCC=O.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000005896	A1B8C5	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019411	A10B3C24	110	100	110	20.417	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1	MC-0000004156	A24B12C2	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N	MC-0000007123	A34B3C6	110	100	110	29.512	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012835	A39B3C14	110	100	110	53.703	110
CO.Nc1cccnc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019686	A27B6C24	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000018297	A28B9C22	110	100	110	110	110
CO.CSCCC=O.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008949	A16B5C9	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017348	A13B4C21	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000005903	A1B15C5	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=CCCc1ccccc1	MC-0000006820	A15B4C6	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=CC1CC1	MC-0000004377	A38B9C2	110	100	110	12.023	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016755	A20B3C20	110	100	110	60.256	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012840	A39B8C14	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1	MC-0000004220	A28B12C2	110	100	110	110	110
CO.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003714	A41B2C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014856	A33B8C17	110	100	110	110	110
CO.Nc1ccccc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015807	A4B15C19	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010056	A41B8C10	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016154	A26B10C19	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010893	A5B13C12	67.608	100	110	44.668	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014965	A40B5C17	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000017894	A3B6C22	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016660	A14B4C20	110	100	110	110	110
CO.Nc1ccncc1.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007876	A37B4C7	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000018052	A13B4C22	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000006692	A7B4C6	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=CCc1ccccc1	MC-0000004969	A31B9C3	110	100	110	85.114	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013822	A12B14C16	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC=O	MC-0000011394	A37B2C12	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009287	A37B7C9	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007566	A17B14C7	110	100	110	110	110
CO.Nc1cccnc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016054	A20B6C19	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006285	A25B13C5	25.704	85.4	110	53.703	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000009561	A10B9C10	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017746	A38B2C21	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015384	A22B8C18	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013007	A5B15C15	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013994	A23B10C16	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013618	A44B2C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017751	A38B7C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccccn1	MC-0000018367	A32B15C22	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000018933	A24B5C23	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.OCC(O)C(O)CC=O	MC-0000011242	A27B10C12	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011642	A8B10C13	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011464	A41B8C12	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1	MC-0000003972	A13B4C2	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000009517	A7B13C10	28.84	100	98.11	32.359	110
CO.CCCC[N+]#[C-].CC(C)CC=O.NCc1cccnc1	MC-0000012300	A5B12C14	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018936	A24B8C23	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000012851	A40B3C14	110	100	110	61.66	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017405	A16B13C21	37.154	100	110	28.84	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1	MC-0000009757	A22B13C10	25.704	100	110	34.674	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008172	A11B12C8	110	100	110	74.131	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012963	A3B3C15	110	100	110	39.811	110
CO.Nc1ccccc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015231	A12B15C18	110	100	110	110	110
CO.Nc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014148	A33B4C16	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018296	A28B8C22	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015487	A28B15C18	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014506	A11B10C17	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000017866	A1B10C22	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000018810	A16B10C23	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O	MC-0000007016	A27B8C6	110	100	110	110	110
O.CO.Nc1ccccc1.C=O.C=CC[N+]#[C-]	MC-0000008703	A44B15C8	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010152	A3B8C11	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1	MC-0000011163	A22B11C12	74.131	100	62.29	37.154	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1	MC-0000004039	A17B7C2	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011646	A8B14C13	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011269	A29B5C12	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].NCc1cccnc1	MC-0000009788	A24B12C10	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009050	A22B10C9	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000006753	A11B1C6	93.325	100	110	57.544	110
CO.NCc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013292	A23B12C15	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015398	A23B6C18	110	100	110	110	110
Cl.CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000018105	A16B9C22	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011979	A29B11C13	60.256	100	53.47	32.359	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1	MC-0000018866	A20B2C23	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009141	A28B5C9	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013578	A41B10C15	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012845	A39B13C14	12.589	56.6	88.75	19.498	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000010747	A40B11C11	110	100	110	12.589	110
CO.CSCCC=O.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013876	A16B4C16	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000006073	A12B9C5	110	100	110	53.703	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014130	A32B2C16	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016423	A43B7C19	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CC1	MC-0000018449	A38B1C22	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015762	A2B2C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017518	A23B14C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000018658	A7B2C23	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017420	A17B12C21	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1	MC-0000004776	A19B8C3	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O	MC-0000012610	A25B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1cccs1	MC-0000012780	A35B12C14	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019478	A14B6C24	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000018999	A28B7C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000012038	A33B6C13	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005769	A37B9C4	110	100	110	47.863	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016958	A32B14C20	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018128	A17B16C22	110	100	110	60.256	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000018055	A13B7C22	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015633	A38B1C18	110	100	110	72.444	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018769	A14B1C23	110	100	110	44.668	110
CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].NCc1ccncc1	MC-0000009866	A29B10C10	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000017986	A9B2C22	110	100	110	110	110
CO.CSCCC=O.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013172	A16B4C15	110	100	110	110	110
CO.NCc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016682	A15B10C20	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000011618	A7B2C13	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1	MC-0000010350	A15B14C11	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000018119	A17B7C22	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012760	A34B8C14	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016426	A43B10C19	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCc1ccccc1	MC-0000004269	A31B13C2	54.954	94	110	18.197	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005648	A29B16C4	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007852	A35B12C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013104	A11B16C15	110	51.8	110	41.687	110
O.CO.CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019726	A29B14C24	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010545	A28B1C11	110	100	110	66.069	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008883	A12B3C9	110	100	66.16	33.884	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000010409	A19B9C11	110	100	110	45.709	110
CO.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015858	A8B2C19	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1	MC-0000006235	A22B11C5	110	100	89.74	28.84	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009208	A32B8C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008333	A21B13C8	47.863	100	110	38.905	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccn1	MC-0000011321	A32B9C12	110	100	110	79.433	110
CO.CC(=O)C=O.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016391	A41B7C19	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000011706	A12B10C13	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000009715	A20B3C10	110	100	110	63.096	110
CO.COc1cccc(C=O)c1OC.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015727	A43B15C18	110	100	110	110	110
Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009081	A24B9C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014552	A14B8C17	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016006	A17B6C19	110	100	110	110	110
CO.CCCCCC=O.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008007	A1B7C8	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1	MC-0000004082	A20B2C2	110	100	110	110	110
O.CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1ncc[nH]1	MC-0000009876	A30B4C10	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000012832	A38B16C14	110	100	110	60.256	110
Cl.CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011273	A29B9C12	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014746	A26B10C17	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013128	A13B8C15	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017364	A14B4C21	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1	MC-0000011165	A22B13C12	19.498	100	110	41.687	110
CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000003778	A1B2C2	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011429	A39B5C12	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018632	A5B8C23	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]C1CCCCC1	MC-0000005888	A44B16C4	110	100	110	89.125	110
O.CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.C=O	MC-0000011511	A44B7C12	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000009566	A10B14C10	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015580	A34B12C18	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015816	A5B8C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015870	A8B14C19	110	100	110	110	110
O.CO.Nc1ccncc1.C=O.[C-]#[N+]c1ccccc1	MC-0000017140	A44B4C20	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000017960	A7B8C22	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000007152	A35B16C6	110	100	110	58.884	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000004616	A9B8C3	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015521	A31B1C18	110	100	110	75.858	110
CO.NCc1cccnc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019292	A2B12C24	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017652	A32B4C21	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1	MC-0000006630	A3B6C6	110	100	110	110	110
O.Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000011507	A44B3C12	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013061	A9B5C15	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007706	A26B10C7	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014079	A28B15C16	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011038	A14B14C12	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.C=O	MC-0000018546	A44B2C22	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017473	A21B1C21	110	100	110	81.283	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016091	A22B11C19	110	100	78.85	32.359	110
CO.CCCC[N+]#[C-].CC(=O)C=O.NCc1cccnc1	MC-0000012876	A41B12C14	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1	MC-0000005026	A35B2C3	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013384	A29B8C15	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ncc[nH]1	MC-0000007062	A30B6C6	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015736	A44B8C18	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12	MC-0000012254	A2B14C14	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007998	A44B14C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003376	A19B16C1	110	100	110	52.481	110
CO.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017066	A39B10C20	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=CC1CC1	MC-0000007196	A38B12C6	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015228	A12B12C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015826	A6B2C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009256	A35B8C9	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.OCC=O	MC-0000006469	A37B5C5	110	100	110	110	110
CO.CSCCC=O.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014580	A16B4C17	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000019233	A43B1C23	56.234	100	110	23.988	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccs1	MC-0000019111	A35B7C23	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010891	A5B11C12	74.131	100	59.32	42.658	110
CO.CCOC(=O)C=C(C)C=O.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017612	A29B12C21	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007213	A39B13C6	19.953	51.5	95.41	22.387	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013781	A10B5C16	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccco1	MC-0000005969	A6B1C5	110	100	110	38.905	110
CO.CSCCC=O.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008951	A16B7C9	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007937	A41B1C7	110	100	110	35.481	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008793	A6B9C9	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006059	A11B11C5	60.256	100	54.19	45.709	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013324	A25B12C15	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016823	A24B7C20	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003434	A23B10C1	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003473	A26B1C1	100	100	110	48.978	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016888	A28B8C20	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.Nc1cccnc1	MC-0000004726	A16B6C3	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014457	A8B9C17	110	100	110	51.286	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000011115	A19B11C12	56.234	100	41.95	38.019	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013017	A6B9C15	110	100	110	18.197	110
CO.Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014742	A26B6C17	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013737	A7B9C16	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014225	A38B1C16	110	100	110	46.774	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019858	A38B2C24	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003488	A26B16C1	110	100	110	63.096	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016620	A11B12C20	110	100	99.91	110	33.884
CO.Nc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016676	A15B4C20	110	100	110	110	110
CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000009696	A18B16C10	110	100	110	66.069	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000018586	A2B10C23	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013783	A10B7C16	110	100	110	110	110
O.CO.CCCC[N+]#[C-].Nc1cccnc1.C=O	MC-0000012918	A44B6C14	110	100	110	110	110
O.Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1	MC-0000007057	A30B1C6	110	100	110	31.623	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016077	A21B13C19	30.903	100	110	46.774	110
CO.Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015263	A14B15C18	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].Nc1cccnc1	MC-0000009606	A13B6C10	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003456	A24B16C1	110	100	27.01	85.114	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008381	A24B13C8	38.019	100	110	32.359	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019693	A27B13C24	46.774	100	110	10.233	110
CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].NCc1cccnc1	MC-0000010492	A24B12C11	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015842	A7B2C19	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014499	A11B3C17	110	100	81.55	56.234	110
CO.Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016855	A26B7C20	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019379	A8B3C24	110	100	110	52.481	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000005926	A3B6C5	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013358	A27B14C15	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017224	A5B8C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008635	A40B11C8	110	100	110	33.113	110
O.CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1	MC-0000009806	A25B14C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1	MC-0000011862	A22B6C13	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007492	A13B4C7	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=CC=Cc1ccccc1	MC-0000004086	A20B6C2	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000012256	A2B16C14	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000017928	A5B8C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000018668	A7B12C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018466	A39B2C22	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000018244	A25B4C22	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1C=O	MC-0000010038	A40B6C10	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1	MC-0000004862	A24B14C3	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013009	A6B1C15	110	100	110	37.154	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016881	A28B1C20	110	100	110	77.625	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=CC1CCCCC1	MC-0000009734	A21B6C10	110	100	110	110	110
O.O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.C=O	MC-0000019262	A44B14C23	110	100	110	110	110
CO.C[N+]#[C-].CC(C)CC=O.Nc1ccncc1	MC-0000010180	A5B4C11	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005516	A21B12C4	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015450	A26B10C18	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000004707	A15B3C3	110	100	110	37.154	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014505	A11B9C17	110	100	110	83.176	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000003970	A13B2C2	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008087	A6B7C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017202	A4B2C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=CCc1ccccc1	MC-0000018343	A31B7C22	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008900	A13B4C9	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019710	A28B14C24	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1	MC-0000019160	A38B8C23	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019866	A38B10C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008552	A35B8C8	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccn1	MC-0000012030	A32B14C13	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012950	A2B6C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016776	A21B8C20	110	100	110	110	110
O.Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000010587	A30B11C11	110	100	53.02	26.915	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014963	A40B3C17	110	100	110	45.709	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=CC1CC1	MC-0000005083	A38B11C3	110	100	59.68	38.905	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N	MC-0000009665	A17B1C10	110	100	110	48.978	110
Cl.Cl.CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000012161	A41B1C13	110	100	110	38.905	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009529	A8B9C10	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013515	A37B11C15	21.38	100	16.57	22.387	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013124	A13B4C15	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000004619	A9B11C3	66.069	100	110	67.608	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019320	A4B8C24	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000004648	A11B8C3	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016573	A8B13C20	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O	MC-0000012850	A40B2C14	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016334	A37B14C19	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015435	A25B11C18	57.544	99.8	66.43	30.2	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000011117	A19B13C12	34.674	100	69.85	28.84	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017320	A11B8C21	110	100	110	110	110
CO.CCCCCC=O.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016452	A1B4C20	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=CCCc1ccccc1	MC-0000004714	A15B10C3	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013388	A29B12C15	110	100	110	110	110
CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1	MC-0000004486	A1B6C3	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015349	A20B5C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015977	A15B9C19	110	100	110	72.444	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000012183	A42B7C13	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013820	A12B12C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012990	A4B14C15	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017107	A42B3C20	110	100	110	43.652	110
CO.Nc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003124	A4B4C1	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018317	A29B13C22	34.674	100	110	24.547	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000006696	A7B8C6	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009033	A21B9C9	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010932	A8B4C12	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016068	A21B4C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015449	A26B9C18	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014603	A17B11C17	110	100	81.55	23.988	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000010295	A12B7C11	110	100	110	110	110
CO.CCCCCC=O.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019270	A1B6C24	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1ncc[nH]1	MC-0000019039	A30B15C23	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013827	A13B3C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009326	A39B14C9	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018112	A16B16C22	110	100	110	63.096	110
CO.CCCC[N+]#[C-].CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O	MC-0000012290	A5B2C14	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007312	A1B16C7	110	100	110	52.481	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1	MC-0000011810	A19B2C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008432	A27B16C8	110	100	110	27.542	110
CO.Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013815	A12B7C16	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1	MC-0000011416	A38B8C12	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=CCCc1ccccc1	MC-0000018084	A15B4C22	110	100	110	110	110
CO.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014458	A8B10C17	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011728	A13B16C13	110	100	110	74.131	110
CO.CCCCCC=O.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015044	A1B4C18	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015596	A35B12C18	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005318	A9B6C4	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018539	A43B11C22	110	100	88.12	74.131	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008894	A12B14C9	110	100	110	110	110
CO.NCc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017450	A19B10C21	110	100	110	110	110
CO.Nc1ccccc1.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017391	A15B15C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013714	A6B2C16	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1	MC-0000011048	A15B8C12	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017369	A14B9C21	110	100	110	69.183	110
CO.NCc1cccnc1.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017740	A37B12C21	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000007261	A42B13C6	28.84	100	99.91	21.38	110
CO.Nc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013990	A23B6C16	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1	MC-0000005019	A34B11C3	41.687	84.4	39.43	12.303	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O	MC-0000018978	A27B2C23	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017454	A19B14C21	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000004848	A23B16C3	110	100	110	45.709	110
CO.NCc1cccnc1.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017756	A38B12C21	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1cccs1	MC-0000009967	A35B15C10	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.C=O	MC-0000012914	A44B2C14	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008687	A43B15C8	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000010297	A12B9C11	110	100	110	48.978	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013523	A38B3C15	110	100	110	60.256	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008279	A18B7C8	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018075	A14B11C22	54.954	100	110	54.954	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005330	A10B2C4	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000005016	A34B8C3	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005265	A6B1C4	110	100	110	37.154	110
CO.Nc1ccccc1.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017039	A37B15C20	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006097	A14B1C5	110	100	110	51.286	110
O.CO.Nc1cccnc1.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007990	A44B6C7	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017786	A40B10C21	110	100	110	110	110
Cl.CO.CC(=O)C=O.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014281	A41B9C16	110	100	110	26.303	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000011546	A2B10C13	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000011001	A12B9C12	110	100	110	58.884	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017113	A42B9C20	110	100	110	72.444	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006257	A24B1C5	110	100	110	34.674	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.Clc1ccc(C=O)cc1	MC-0000010879	A4B15C12	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015548	A32B12C18	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000004625	A10B1C3	38.019	100	110	50.119	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003527	A29B7C1	110	100	110	110	110
O.Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000004957	A30B13C3	100	100	110	35.481	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007595	A19B11C7	61.66	100	36.64	28.84	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018640	A5B16C23	110	100	110	66.069	110
CO.NCc1ccncc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019450	A12B10C24	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008412	A26B12C8	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003668	A38B4C1	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006013	A8B13C5	63.096	100	110	28.84	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010488	A24B8C11	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000018812	A16B12C23	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014042	A26B10C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019410	A10B2C24	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=CCc1ccccc1	MC-0000011302	A31B6C12	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1	MC-0000006234	A22B10C5	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000004503	A2B7C3	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019315	A4B3C24	110	100	110	34.674	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008260	A17B4C8	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000018103	A16B7C22	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000018140	A18B12C22	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000004588	A7B12C3	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007564	A17B12C7	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009254	A35B6C9	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011016	A13B8C12	110	100	110	110	110
CO.Nc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015094	A4B6C18	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].Nc1ccccc1	MC-0000009871	A29B15C10	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007917	A39B13C7	26.303	3.8	110	21.38	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003731	A42B3C1	110	100	110	46.774	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014736	A25B16C17	110	100	110	44.668	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013774	A9B14C16	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017618	A30B2C21	110	100	110	110	110
CO.Nc1cccnc1.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014822	A31B6C17	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006502	A39B6C5	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=CCc1ccccc1	MC-0000010597	A31B5C11	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009812	A26B4C10	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].Nc1cccnc1	MC-0000010374	A17B6C11	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016968	A33B8C20	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007841	A35B1C7	110	100	110	57.544	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1	MC-0000004037	A17B5C2	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015075	A3B3C18	110	100	110	58.884	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007890	A38B2C7	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016075	A21B11C19	100	100	76.42	40.738	110
CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000011460	A41B4C12	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000011100	A18B12C12	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008367	A23B15C8	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013697	A5B1C16	110	100	110	53.703	110
CO.CCOC(=O)C1CC1C=O.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016831	A24B15C20	110	100	110	110	110
CO.NCc1ccncc1.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019754	A31B10C24	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013145	A14B9C15	110	100	110	64.565	110
CO.NCc1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013941	A20B5C16	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015950	A13B14C19	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007829	A34B5C7	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000018617	A4B9C23	110	100	110	56.234	110
CO.Nc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000016999	A35B7C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019691	A27B11C24	79.433	100	48.16	21.878	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000007008	A26B16C6	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1ccco1	MC-0000010198	A6B6C11	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011272	A29B8C12	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008274	A18B2C8	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017599	A28B15C21	110	100	110	110	110
CO.Nc1ccccc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019791	A33B15C24	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1	MC-0000009464	A4B8C10	110	100	110	110	110
O.CO.Nc1ccccc1.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013631	A44B15C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017384	A15B8C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014123	A31B11C16	81.283	100	99.91	87.096	110
CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1cccnc1	MC-0000006854	A17B6C6	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003725	A41B13C1	63.096	100	110	20.893	110
CO.NCc1ccncc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015770	A2B10C19	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000011974	A29B6C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000011694	A11B14C13	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017267	A8B3C21	110	100	110	42.658	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016434	A44B2C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014669	A21B13C17	32.359	100	110	38.905	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019608	A22B8C24	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010260	A10B4C11	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007713	A27B1C7	110	100	110	48.978	110
CO.CCCC[N+]#[C-].CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O	MC-0000012866	A41B2C14	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017649	A32B1C21	110	100	110	38.019	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006046	A10B14C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000018008	A10B8C22	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011261	A28B13C12	41.687	100	110	36.308	110
CO.NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016666	A14B10C20	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016069	A21B5C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000017958	A7B6C22	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018819	A17B3C23	110	100	110	50.119	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019678	A26B14C24	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010397	A18B13C11	54.954	100	110	33.884	110
CO.NCc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013996	A23B12C16	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000019204	A41B4C23	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012504	A18B8C14	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.Nc1cccc(N)c1	MC-0000007271	A43B7C6	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004186	A26B10C2	110	100	110	110	110
CO.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013542	A39B6C15	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004397	A39B13C2	2.951	7.1	76.06	2.344	110
Cl.CO.NCc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015097	A4B9C18	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000018295	A28B7C22	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016837	A25B5C20	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005276	A6B12C4	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1	MC-0000010782	A42B14C11	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017761	A39B1C21	110	100	110	58.884	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1ccco1	MC-0000004564	A6B4C3	110	100	110	110	110
CO.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008117	A8B5C8	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016571	A8B11C20	110	100	56.26	33.113	110
Cl.CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000018569	A1B9C23	110	100	110	61.66	110
CO.Nc1ccncc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007780	A31B4C7	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.Nc1ccncc1	MC-0000012676	A29B4C14	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000007136	A34B16C6	110	100	99.91	34.674	110
CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.Nc1cccnc1	MC-0000010086	A43B6C10	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013143	A14B7C15	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000017900	A3B12C22	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000009589	A12B5C10	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1	MC-0000011809	A19B1C13	110	100	110	38.019	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010279	A11B7C11	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016819	A24B3C20	110	100	110	79.433	110
O.CO.NCc1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014101	A30B5C16	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000004085	A20B5C2	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013442	A33B2C15	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000011453	A40B13C12	58.884	100	110	13.183	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013271	A22B7C15	110	100	110	110	110
CO.NCc1ccncc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015530	A31B10C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017208	A4B8C21	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCc1ccccc1	MC-0000012717	A31B13C14	34.674	100	110	32.359	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008320	A20B16C8	110	100	110	56.234	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.Clc1nc2ccccc2cc1C=O	MC-0000006415	A33B15C5	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000007248	A41B16C6	110	100	110	60.256	110
CO.CSCCC=O.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017398	A16B6C21	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008437	A28B5C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008638	A40B14C8	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000018037	A12B5C22	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017486	A21B14C21	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O	MC-0000012898	A43B2C14	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000006032	A9B16C5	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014075	A28B11C16	100	100	40.6	31.623	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=CC1CCCCC1	MC-0000018895	A21B15C23	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011011	A13B3C12	110	100	110	51.286	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015914	A11B10C19	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016967	A33B7C20	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=CC=Cc1ccccc1	MC-0000018870	A20B6C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016752	A19B16C20	110	100	110	56.234	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013643	A1B11C16	51.286	87.9	38.89	17.783	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014152	A33B8C16	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016715	A17B11C20	110	100	59.14	33.113	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].NCc1cccnc1	MC-0000006796	A13B12C6	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000012246	A2B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O	MC-0000012482	A17B2C14	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013041	A8B1C15	110	100	110	43.652	110
CO.Nc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014292	A42B4C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017816	A42B8C21	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000009656	A16B8C10	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000017857	A1B1C22	110	100	110	39.811	110
O.CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.C=O	MC-0000011519	A44B15C12	110	100	110	110	110
CO.COCC[N+]#[C-].CSCCC=O.NC(CCCNC(=N)N)C(=O)O	MC-0000009650	A16B2C10	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019397	A9B5C24	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].NCc1cccnc1	MC-0000009868	A29B12C10	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=CC1CCCCC1	MC-0000018186	A21B10C22	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016645	A13B5C20	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014682	A22B10C17	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014977	A41B1C17	110	100	110	28.84	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000011658	A9B10C13	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003561	A31B9C1	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1	MC-0000003838	A4B14C2	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1	MC-0000009669	A17B5C10	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008408	A26B8C8	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007600	A19B16C7	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007500	A13B12C7	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015431	A25B7C18	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000010880	A4B16C12	110	100	110	51.286	110
Cl.CO.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014153	A33B9C16	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1	MC-0000012493	A17B13C14	52.481	100	110	29.512	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013747	A8B3C16	110	100	110	56.234	110
CO.CCOC(=O)C1CC1C=O.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009084	A24B12C9	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.NCc1ccc(N)cc1	MC-0000004549	A5B5C3	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007774	A30B14C7	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1	MC-0000009496	A6B8C10	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011726	A13B14C13	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005673	A31B9C4	110	100	110	110	110
CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1	MC-0000012756	A34B4C14	87.096	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014866	A34B2C17	110	100	110	110	110
CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O	MC-0000012498	A18B2C14	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014838	A32B6C17	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017435	A18B11C21	110	100	110	53.703	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018778	A14B10C23	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006052	A11B4C5	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1	MC-0000004154	A24B10C2	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1	MC-0000009748	A22B4C10	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1	MC-0000004767	A18B15C3	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CC1	MC-0000007197	A38B13C6	67.608	100	110	28.84	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000009922	A33B2C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005792	A38B16C4	110	100	110	60.256	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014840	A32B8C17	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017203	A4B3C21	110	100	110	40.738	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1	MC-0000011826	A20B2C13	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007521	A15B1C7	110	100	110	66.069	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000011947	A27B11C13	40.738	100	57.79	21.878	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014041	A26B9C16	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007579	A18B11C7	110	100	54.55	33.113	110
CO.NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014748	A26B12C17	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005094	A39B6C3	110	100	110	110	110
CO.CSCCC=O.C[N+]#[C-].NCc1ccncc1	MC-0000010362	A16B10C11	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015675	A40B11C18	110	100	110	33.113	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018929	A24B1C23	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015653	A39B5C18	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005399	A14B7C4	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008399	A25B15C8	110	100	110	110	110
CO.CCCCCC=O.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008002	A1B2C8	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013724	A6B12C16	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019407	A9B15C24	110	100	110	110	110
CO.CSCCC=O.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013878	A16B6C16	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000012112	A37B16C13	110	100	110	77.625	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=CCCc1ccccc1	MC-0000018095	A15B15C22	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013568	A40B16C15	110	100	110	42.658	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=CC1CC1	MC-0000019162	A38B10C23	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000019104	A34B16C23	110	82.4	110	34.674	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003185	A8B1C1	75.858	100	110	40.738	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc2OCOc2c1	MC-0000011487	A42B15C12	110	100	110	110	110
O.Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000012701	A30B13C14	110	100	110	25.119	110
CO.NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007708	A26B12C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007918	A39B14C7	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1cccs1	MC-0000012772	A35B4C14	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014275	A41B3C16	110	100	110	46.774	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1	MC-0000011822	A19B14C13	110	100	110	110	110
O.CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O	MC-0000010112	A44B16C10	110	100	110	89.125	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006338	A29B2C5	110	100	110	110	110
CO.CSCCC=O.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013174	A16B6C15	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1	MC-0000011758	A15B14C13	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016484	A3B4C20	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016461	A1B13C20	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000009891	A31B3C10	110	100	78.13	77.625	110
Cl.Cl.CO.CSCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016689	A16B1C20	91.201	100	110	61.66	110
CO.Nc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005412	A15B4C4	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000018745	A12B9C23	110	100	110	77.625	110
CO.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017068	A39B12C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007647	A22B15C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.OCC=O	MC-0000012108	A37B12C13	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005557	A24B5C4	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013089	A11B1C15	110	100	83.53	54.954	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1	MC-0000006200	A20B8C5	110	100	110	110	110
O.CO.CCCCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000008718	A1B14C9	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011201	A25B1C12	110	100	110	54.954	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.OCC=O	MC-0000012105	A37B9C13	110	100	110	35.481	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003699	A40B3C1	35.481	100	110	5.623	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010552	A28B8C11	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000010749	A40B13C11	67.608	100	110	25.704	110
CO.CCCCCC=O.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013638	A1B6C16	110	100	110	110	110
Cl.CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011593	A5B9C13	110	100	110	61.66	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014875	A34B11C17	15.849	73.1	42.31	27.542	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CC1	MC-0000012126	A38B14C13	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000012816	A37B16C14	110	100	110	46.774	110
O.CO.CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014014	A24B14C16	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000018740	A12B4C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005616	A27B16C4	110	100	110	64.565	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000019018	A29B10C23	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000019092	A34B4C23	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017671	A33B7C21	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011901	A24B13C13	23.988	100	110	13.804	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000006704	A7B16C6	110	100	110	60.256	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008899	A13B3C9	110	100	110	66.069	110
CO.NCc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003436	A23B12C1	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.NCc1cccnc1	MC-0000003852	A5B12C2	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018468	A39B4C22	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000012563	A22B3C14	110	100	110	53.703	110
CO.NCc1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015461	A27B5C18	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017562	A26B10C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013185	A17B1C15	110	100	110	47.863	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000006777	A12B9C6	110	100	110	40.738	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013168	A15B16C15	110	100	110	70.795	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000007240	A41B8C6	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CCCCC1	MC-0000018187	A21B11C22	110	100	70.93	40.738	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000012333	A7B13C14	32.359	100	110	33.884	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000016994	A35B2C20	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.OCc1ccc(C=O)o1	MC-0000004772	A19B4C3	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000014622	A18B14C17	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013712	A5B16C16	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1	MC-0000012573	A22B13C14	28.184	100	110	40.738	110
O.CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010574	A29B14C11	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.OCC=O	MC-0000009997	A37B13C10	25.704	77.8	45.28	13.804	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007576	A18B8C7	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000010129	A2B1C11	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=CCc1ccccc1	MC-0000019046	A31B6C23	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000010858	A3B10C12	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018320	A29B16C22	110	100	110	77.625	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O	MC-0000018670	A7B14C23	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015912	A11B8C19	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011228	A26B12C12	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009192	A31B8C9	110	100	110	110	110
CO.Nc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016964	A33B4C20	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008046	A3B14C8	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1	MC-0000004264	A31B8C2	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1	MC-0000004833	A23B1C3	110	100	110	28.84	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000011727	A13B15C13	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013840	A13B16C16	110	100	110	67.608	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019777	A33B1C24	34.674	100	110	18.197	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013022	A6B14C15	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1	MC-0000004861	A24B13C3	48.978	100	110	44.668	110
Cl.Cl.CO.CCCCCC=O.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000012227	A1B3C14	110	100	110	33.884	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000003802	A2B10C2	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016351	A38B15C19	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CSCCC=O.Nc1ccccc1	MC-0000006847	A16B15C6	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1	MC-0000011138	A21B2C12	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017606	A29B6C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015646	A38B14C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016745	A19B9C20	110	100	110	64.565	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000012176	A41B16C13	110	100	110	54.954	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000006263	A24B7C5	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017077	A40B5C20	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000011003	A12B11C12	61.66	100	49.06	27.542	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000004199	A27B7C2	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010400	A18B16C11	110	100	110	58.884	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1	MC-0000010408	A19B8C11	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=CC1CCCCC1	MC-0000018188	A21B12C22	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005825	A41B1C4	110	100	110	42.658	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017325	A11B13C21	110	100	48.88	31.623	110
Cl.CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000017929	A5B9C22	110	100	110	110	110
CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1	MC-0000009855	A28B15C10	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015452	A26B12C18	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000011699	A12B3C13	110	100	110	36.308	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018754	A13B2C23	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003358	A18B14C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019490	A15B2C24	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013434	A32B10C15	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ncc[nH]1	MC-0000011999	A30B15C13	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014877	A34B13C17	11.22	26.4	81.73	14.791	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000005917	A2B13C5	110	100	110	25.119	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1ccccn1	MC-0000004278	A32B6C2	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008981	A18B5C9	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015889	A10B1C19	34.674	100	110	26.915	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007810	A33B2C7	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccs1	MC-0000019109	A35B5C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O	MC-0000012146	A40B2C13	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007893	A38B5C7	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003103	A2B15C1	110	100	110	110	110
CO.CSCCC=O.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008245	A16B5C8	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008256	A16B16C8	110	100	110	54.954	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000005996	A7B12C5	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc[nH]1	MC-0000006954	A23B10C6	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].CC(C)CC=O.NCc1ccc(cc1)C(=N)N	MC-0000009475	A5B3C10	110	100	110	51.286	110
CO.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005303	A8B7C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccn1	MC-0000012023	A32B7C13	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014744	A26B8C17	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000017877	A2B5C22	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017436	A18B12C21	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008477	A30B13C8	110	100	110	33.113	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016302	A35B14C19	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005344	A10B16C4	110	100	110	60.256	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004608	A8B16C3	110	100	110	72.444	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017165	A1B13C21	38.019	100	110	21.878	110
Cl.Cl.CO.CSCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017393	A16B1C21	110	100	110	44.668	110
CO.CCCCCC=O.C[N+]#[C-].NCc1cccnc1	MC-0000010124	A1B12C11	110	100	110	110	110
CO.CCCCCC=O.COC(=O)C[N+]#[C-].Nc1ccncc1	MC-0000006596	A1B4C6	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009123	A27B3C9	110	100	110	32.359	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016928	A30B16C20	110	100	110	63.096	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1	MC-0000006674	A6B2C6	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016712	A17B8C20	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017498	A22B10C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1C=O	MC-0000019188	A40B4C23	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000006752	A10B16C6	110	100	110	60.256	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008104	A7B8C8	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016035	A19B3C19	110	100	110	23.988	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017272	A8B8C21	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1	MC-0000009804	A25B12C10	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019905	A41B1C24	38.019	100	110	1.585	110
CO.NCc1ccncc1.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014122	A31B10C16	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000011949	A27B13C13	29.512	100	110	19.953	110
O.CO.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014958	A39B14C17	110	100	110	110	110
CO.NCc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017452	A19B12C21	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013480	A35B8C15	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=CC=Cc1ccccc1	MC-0000006198	A20B6C5	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016343	A38B7C19	110	100	110	110	110
O.CO.NCc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016922	A30B10C20	110	100	110	110	110
CO.Nc1ccccc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007359	A4B15C7	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1ccc[nH]1	MC-0000010479	A23B15C11	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].CC(=O)C=O.NCc1cccc(c1)C(=N)N	MC-0000012865	A41B1C14	110	100	110	28.84	110
Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007497	A13B9C7	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1	MC-0000011112	A19B8C12	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1	MC-0000007037	A28B13C6	69.183	100	110	30.903	110
CO.Nc1ccccc1.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015839	A6B15C19	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004728	A16B8C3	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008308	A20B4C8	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000012382	A10B14C14	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016806	A23B6C20	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011499	A43B11C12	93.325	100	40.6	56.234	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008342	A22B6C8	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018771	A14B3C23	110	100	110	36.308	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000012162	A41B2C13	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N	MC-0000004051	A18B3C2	110	100	110	2.63	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000018379	A33B11C22	110	100	110	87.096	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017182	A2B14C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016835	A25B3C20	110	100	110	61.66	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008100	A7B4C8	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000018935	A24B7C23	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017788	A40B12C21	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014533	A13B5C17	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000012060	A34B12C13	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014522	A12B10C17	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000017924	A5B4C22	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018299	A28B11C22	110	100	110	25.704	110
O.CO.Nc1cccc(N)c1.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014327	A44B7C16	110	100	110	110	110
CO.CCCCCC=O.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000012226	A1B2C14	110	100	110	110	110
CO.Nc1cccnc1.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016934	A31B6C20	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012440	A14B8C14	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010547	A28B3C11	110	100	110	57.544	110
CO.NCc1cccnc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019452	A12B12C24	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009620	A14B4C10	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.Clc1ccc(C=O)cc1	MC-0000006644	A4B4C6	110	100	110	110	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018512	A41B16C22	110	100	110	50.119	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004160	A24B16C2	110	100	110	10.233	110
CO.Nc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009062	A23B6C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005735	A35B7C4	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005618	A28B2C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011738	A14B10C13	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019287	A2B7C24	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007476	A12B4C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014937	A38B9C17	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000010996	A12B4C12	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008514	A33B2C8	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=CC1CC1	MC-0000019158	A38B6C23	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].Nc1ccncc1	MC-0000010148	A3B4C11	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015427	A25B3C18	110	100	110	63.096	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017428	A18B4C21	110	100	110	110	39.811
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012639	A26B15C14	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013613	A43B13C15	24.547	100	110	30.903	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1	MC-0000019026	A30B2C23	110	100	110	110	110
CO.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015860	A8B4C19	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000009411	A1B3C10	110	100	110	37.154	110
CO.Nc1ccccc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015391	A22B15C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019841	A37B1C24	33.113	100	94.87	0.437	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O	MC-0000010737	A40B1C11	83.176	100	110	35.481	110
Cl.CO.CC(=O)C=O.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013577	A41B9C15	110	100	110	23.442	110
Cl.Cl.CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N	MC-0000010641	A34B1C11	110	100	95.14	20.417	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000010691	A37B3C11	85.114	100	75.16	29.512	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019581	A20B13C24	38.905	100	110	36.308	110
CO.Nc1ccncc1.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009028	A21B4C9	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019283	A2B3C24	110	100	110	64.565	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000005027	A35B3C3	110	100	110	47.863	110
CO.Nc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008884	A12B4C9	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016818	A24B2C20	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005837	A41B13C4	57.544	100	110	29.512	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014939	A38B11C17	110	100	61.3	39.811	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014824	A31B8C17	110	100	110	110	110
CO.NCc1cccnc1.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019756	A31B12C24	110	100	110	110	110
Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008377	A24B9C8	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.Nc1ccncc1	MC-0000012900	A43B4C14	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013896	A17B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013256	A21B8C15	110	100	110	110	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011737	A14B9C13	110	100	110	81.283	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000018919	A23B7C23	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016248	A32B8C19	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011013	A13B5C12	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010526	A26B14C11	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000018837	A18B5C23	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019338	A5B10C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=CC1CC1	MC-0000008597	A38B5C8	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014971	A40B11C17	110	100	110	25.704	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009083	A24B11C9	110	100	71.74	29.512	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007421	A8B13C7	93.325	100	110	37.154	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=CC=Cc1ccccc1	MC-0000012532	A20B4C14	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014318	A43B14C16	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.NCc1ccncc1	MC-0000004730	A16B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=CCCc1ccccc1	MC-0000004710	A15B6C3	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013048	A8B8C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003198	A8B14C1	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1	MC-0000009452	A3B12C10	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003733	A42B5C1	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000011683	A11B3C13	110	100	59.95	56.234	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014745	A26B9C17	110	100	110	77.625	110
CO.CCOC(=O)C1CC1C=O.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017527	A24B7C21	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015772	A2B12C19	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000012324	A7B4C14	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008805	A7B5C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016750	A19B14C20	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000015014	A43B6C17	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015632	A37B16C18	91.201	100	63.73	33.884	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008051	A4B3C8	110	100	110	54.954	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019928	A42B8C24	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000006029	A9B13C5	30.903	66.3	110	20.417	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1	MC-0000018046	A12B14C22	110	100	110	110	110
O.CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1	MC-0000012622	A25B14C14	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013975	A22B7C16	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000012521	A19B9C14	110	100	110	43.652	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O	MC-0000010744	A40B8C11	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000017001	A35B9C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016411	A42B11C19	87.096	100	45.91	28.184	110
CO.NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016668	A14B12C20	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=CCc1ccccc1	MC-0000010602	A31B10C11	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006758	A11B6C6	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=CC1CC1	MC-0000010709	A38B5C11	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.NCc1cccc(N)c1	MC-0000012905	A43B9C14	110	100	110	74.131	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccco1	MC-0000009499	A6B11C10	38.905	100	55.99	22.387	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000010208	A6B16C11	110	100	110	56.234	110
CO.Nc1ccccc1.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009199	A31B15C9	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.NCc1ccc(cc1)C(=N)N	MC-0000003843	A5B3C2	100	100	110	7.413	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014510	A11B14C17	110	100	99.91	110	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N	MC-0000012481	A17B1C14	110	100	110	54.954	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016827	A24B11C20	110	100	110	42.658	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000012032	A32B16C13	110	100	110	60.256	110
CO.CSCCC=O.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016695	A16B7C20	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.OCC(O)C(O)CC=O	MC-0000018980	A27B4C23	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CSCCC=O.Nc1ccncc1	MC-0000006836	A16B4C6	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CC(=O)C=O.NC(=N)c1cccc(N)c1	MC-0000007245	A41B13C6	56.234	100	110	26.915	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012338	A8B2C14	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=CCCc1ccccc1	MC-0000010341	A15B5C11	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000017989	A9B5C22	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017613	A29B13C21	57.544	100	110	33.113	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016577	A9B1C20	110	100	110	51.286	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017027	A37B3C20	100	100	75.07	34.674	110
CO.COC(=O)C[N+]#[C-].CC(C)CC=O.Nc1cccnc1	MC-0000006662	A5B6C6	110	100	110	110	110
CO.Nc1cccnc1.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014118	A31B6C16	110	100	110	110	110
CO.NCc1ccncc1.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014218	A37B10C16	110	100	110	110	110
CO.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012994	A5B2C15	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccccn1	MC-0000012031	A32B15C13	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007592	A19B8C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.Clc1ccc(C=O)cc1	MC-0000011574	A4B6C13	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007426	A9B2C7	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccco1	MC-0000012313	A6B9C14	110	100	110	17.783	110
Cl.CO.CC(C)CC=O.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016521	A5B9C20	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=CC1CC1	MC-0000018458	A38B10C22	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007335	A3B7C7	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc[nH]1	MC-0000018218	A23B10C22	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CC1	MC-0000006494	A38B14C5	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.NC(=N)c1cccc(N)c1	MC-0000004557	A5B13C3	74.131	100	110	22.387	110
CO.NCc1cccnc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015532	A31B12C18	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014671	A21B15C17	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016418	A43B2C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014301	A42B13C16	27.542	100	110	45.709	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015649	A39B1C18	110	100	110	53.703	110
CO.Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008916	A14B4C9	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccco1	MC-0000010199	A6B7C11	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016794	A22B10C20	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=CC1CCCCC1	MC-0000009733	A21B5C10	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015916	A11B12C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003285	A14B5C1	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].Nc1ccncc1	MC-0000010500	A25B4C11	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017479	A21B7C21	110	100	110	110	110
O.CO.Nc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013398	A30B6C15	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000018582	A2B6C23	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000006164	A18B4C5	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1ccc[nH]1	MC-0000004847	A23B15C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1	MC-0000004750	A17B14C3	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005726	A34B14C4	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.OCc1ccc(C=O)o1	MC-0000011108	A19B4C12	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011931	A26B11C13	85.114	100	65.35	24.547	110
O.CO.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013550	A39B14C15	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1	MC-0000004218	A28B10C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013072	A9B16C15	110	100	110	67.608	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010959	A9B15C12	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014633	A19B9C17	110	100	110	26.303	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000010467	A23B3C11	110	100	110	30.2	110
O.CO.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019694	A27B14C24	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003140	A5B4C1	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004552	A5B8C3	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018801	A16B1C23	110	100	110	12.303	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010859	A3B11C12	110	92.4	67.24	42.658	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1	MC-0000004221	A28B13C2	30.903	47	78.67	1.202	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000018756	A13B4C23	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014684	A22B12C17	110	100	110	110	110
CO.CSCCC=O.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015991	A16B7C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017470	A20B14C21	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015919	A11B15C19	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccco1	MC-0000010907	A6B11C12	69.183	100	49.96	40.738	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006544	A41B16C5	110	100	110	34.674	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003506	A28B2C1	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000006034	A10B2C5	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014234	A38B10C16	110	100	110	110	110
Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003337	A17B9C1	110	100	110	110	110
CO.Nc1ccccc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016063	A20B15C19	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.OCC(O)C(O)CC=O	MC-0000006310	A27B6C5	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008033	A3B1C8	110	100	110	52.481	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018965	A26B5C23	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009164	A29B12C9	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1	MC-0000011182	A23B14C12	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1	MC-0000006233	A22B9C5	110	100	110	87.096	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1cccs1	MC-0000010660	A35B4C11	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015543	A32B7C18	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000009719	A20B7C10	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000018281	A27B9C22	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O	MC-0000009934	A33B14C10	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1	MC-0000018205	A22B13C22	24.547	100	110	81.283	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013081	A10B9C15	110	100	110	77.625	110
CO.Nc1cccnc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019574	A20B6C24	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015298	A17B2C18	110	100	110	110	110
CO.CC(=O)C=O.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017804	A41B12C21	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013624	A44B8C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005394	A14B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009218	A33B2C9	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015655	A39B7C18	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=CC1CCCCC1	MC-0000006215	A21B7C5	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013565	A40B13C15	56.234	62.2	110	22.909	110
CO.NCc1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015397	A23B5C18	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008759	A4B7C9	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017198	A3B14C21	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009203	A32B3C9	110	100	110	48.978	110
O.CO.CCN(CC)CC.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012168	A41B8C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.OCC=O	MC-0000012111	A37B15C13	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000011675	A10B11C13	83.176	100	65.17	30.903	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000017994	A9B10C22	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1ccccc1	MC-0000009679	A17B15C10	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010482	A24B2C11	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=CC1CCCCC1	MC-0000004105	A21B9C2	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015310	A17B14C18	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000011127	A20B7C12	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1ncc[nH]1	MC-0000018330	A30B10C22	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017802	A41B10C21	110	100	110	110	110
CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000010886	A5B6C12	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000005958	A5B6C5	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014955	A39B11C17	110	100	110	38.905	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007629	A21B13C7	44.668	100	110	36.308	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007686	A25B6C7	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015407	A23B15C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017653	A32B5C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019579	A20B11C24	87.096	100	52.39	37.154	110
CO.CSCCC=O.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013879	A16B7C16	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018576	A1B16C23	110	85.7	110	33.113	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.Nc1ccccc1	MC-0000004559	A5B15C3	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015699	A42B3C18	110	100	110	44.668	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016962	A33B2C20	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019889	A40B1C24	38.905	100	110	29.512	110
CO.NCc1ccncc1.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013978	A22B10C16	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1	MC-0000007262	A42B14C6	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000018371	A33B3C22	110	100	110	66.069	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=CC1CCCCC1	MC-0000004103	A21B7C2	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013386	A29B10C15	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006002	A8B2C5	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009079	A24B7C9	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019487	A14B15C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013282	A23B2C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015150	A7B14C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017365	A14B5C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011040	A14B16C12	110	100	110	57.544	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019417	A10B9C24	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000018518	A42B6C22	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005546	A23B10C4	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011436	A39B12C12	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=CC1CCCCC1	MC-0000018887	A21B7C23	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016610	A11B2C20	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000005002	A33B10C3	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006337	A29B1C5	110	100	110	57.544	110
CO.NCc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013226	A19B10C15	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018816	A16B16C23	110	100	110	28.184	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019717	A29B5C24	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019639	A24B7C24	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000005141	A42B5C3	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003415	A22B7C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015650	A39B2C18	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006259	A24B3C5	110	100	110	40.738	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018066	A14B2C22	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009054	A22B14C9	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=CC1CCCCC1	MC-0000009735	A21B7C10	110	100	110	110	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015081	A3B9C18	110	100	110	89.125	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016841	A25B9C20	110	100	110	110	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000010432	A20B16C11	110	100	110	52.481	110
CO.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016965	A33B5C20	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000018298	A28B10C22	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1	MC-0000011602	A6B2C13	110	100	110	110	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000009744	A21B16C10	110	100	110	66.069	110
CO.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017426	A18B2C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016139	A25B11C19	93.325	100	68.59	30.903	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccco1	MC-0000017946	A6B10C22	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000018598	A3B6C23	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016004	A17B4C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012978	A4B2C15	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015385	A22B9C18	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1cccs1	MC-0000010671	A35B15C11	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=CC1CC1	MC-0000018460	A38B12C22	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016615	A11B7C20	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc[nH]1	MC-0000018220	A23B12C22	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013562	A40B10C15	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.Nc1cccnc1	MC-0000004454	A43B6C2	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018307	A29B3C22	110	100	110	66.069	110
O.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.C=O	MC-0000011509	A44B5C12	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000016998	A35B6C20	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O	MC-0000004414	A40B14C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017072	A39B16C20	110	100	110	58.884	110
O.CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1ncc[nH]1	MC-0000006367	A30B15C5	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccs1	MC-0000012777	A35B9C14	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017657	A32B9C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014523	A12B11C17	67.608	100	41.77	21.38	110
CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O	MC-0000012754	A34B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1	MC-0000012612	A25B4C14	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccco1	MC-0000018647	A6B7C23	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000006640	A3B16C6	110	100	110	58.884	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016731	A18B11C20	110	100	62.29	32.359	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016984	A34B8C20	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004883	A26B3C3	110	100	110	42.658	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003120	A3B16C1	110	100	99.91	51.286	110
O.CO.NCc1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016917	A30B5C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017278	A8B14C21	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=CC1CC1	MC-0000005087	A38B15C3	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014299	A42B11C16	110	100	55.45	30.903	110
O.CO.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015992	A16B8C19	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014537	A13B9C17	110	100	110	64.565	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010281	A11B9C11	110	100	110	74.131	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017608	A29B8C21	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013732	A7B4C16	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ncc[nH]1	MC-0000007060	A30B4C6	110	100	110	110	110
CO.Nc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017572	A27B4C21	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=CC1CCCCC1	MC-0000006924	A21B12C6	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015793	A4B1C19	48.978	100	110	25.119	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006323	A28B3C5	110	100	110	70.795	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1ccccn1	MC-0000004985	A32B9C3	110	100	110	67.608	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1	MC-0000018913	A23B1C23	110	100	110	32.359	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008914	A14B2C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013973	A22B5C16	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000010411	A19B11C11	72.444	100	60.76	33.113	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=CC1CCCCC1	MC-0000004810	A21B10C3	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCc1ccccc1	MC-0000018350	A31B14C22	110	100	110	110	110
CO.NCc1ccncc1.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005770	A37B10C4	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000019213	A41B13C23	28.184	100	73.36	7.244	110
Cl.CO.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017065	A39B9C20	110	100	110	74.131	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccn1	MC-0000010617	A32B9C11	110	100	110	52.481	110
CO.NCc1cccnc1.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013436	A32B12C15	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011933	A26B13C13	91.201	100	110	21.38	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005471	A18B15C4	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014093	A29B13C16	45.709	84.4	110	45.709	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003153	A6B1C1	110	100	110	54.954	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1	MC-0000019058	A32B2C23	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000010293	A12B5C11	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.Clc1ccc(C=O)cc1	MC-0000010870	A4B6C12	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000012519	A19B7C14	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000016654	A13B14C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014059	A27B11C16	87.096	100	45.82	26.915	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014449	A8B1C17	45.709	100	110	22.909	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005373	A12B13C4	34.674	61.8	110	30.903	110
O.CO.NCc1cccnc1.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016444	A44B12C19	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016294	A35B6C19	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1ncc[nH]1	MC-0000012700	A30B12C14	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CC1	MC-0000011410	A38B2C12	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000012128	A38B16C13	110	100	110	75.858	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.Nc1ccccc1	MC-0000004735	A16B15C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000011056	A15B16C12	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013566	A40B14C15	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000006739	A10B3C6	110	100	110	51.286	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008360	A23B8C8	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011963	A28B11C13	67.608	100	74.35	21.878	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N	MC-0000004851	A24B3C3	110	100	110	58.884	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000007229	A40B13C6	61.66	88.8	110	22.909	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017515	A23B11C21	69.183	100	23.95	33.884	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000017996	A9B12C22	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013142	A14B6C15	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000010296	A12B8C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000010743	A40B7C11	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019543	A18B7C24	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000009548	A9B12C10	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015716	A43B4C18	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000009390	A43B14C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013563	A40B11C15	110	100	83.35	37.154	38.019
CO.C[N+]#[C-].Nc1cccc(N)c1.O=CC1CCCCC1	MC-0000010439	A21B7C11	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016580	A9B4C20	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000011296	A30B16C12	110	100	110	57.544	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000004290	A33B2C2	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018069	A14B5C22	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018573	A1B13C23	31.623	100	97.39	20.893	110
CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1ccncc1	MC-0000006858	A17B10C6	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017074	A40B2C20	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015490	A29B2C18	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006108	A14B12C5	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014386	A4B2C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016574	A8B14C20	110	100	110	110	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015729	A44B1C18	110	100	110	52.481	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006014	A8B14C5	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014368	A2B16C17	110	100	110	63.096	110
CO.NCc1cccnc1.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014124	A31B12C16	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019475	A14B3C24	110	100	110	38.905	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005229	A3B13C4	89.125	72.6	110	33.113	110
Cl.Cl.CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018811	A16B11C23	110	100	56.44	38.905	110
Cl.CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000006793	A13B9C6	110	100	110	37.154	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000004197	A27B5C2	110	100	110	110	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008281	A18B9C8	110	100	110	79.433	110
Cl.Cl.CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011597	A5B13C13	97.724	100	110	26.915	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013977	A22B9C16	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008268	A17B12C8	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003258	A12B10C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007390	A6B14C7	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015437	A25B13C18	42.658	100	110	53.703	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005245	A4B13C4	22.387	100	110	28.184	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1	MC-0000012669	A28B13C14	38.905	100	110	21.878	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015411	A24B3C18	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1	MC-0000004925	A28B13C3	31.623	100	110	27.542	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1ccc2ccccc2c1	MC-0000018751	A12B15C23	110	100	110	110	110
CO.NCc1ccncc1.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016938	A31B10C20	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000011910	A25B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007632	A21B16C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008521	A33B9C8	110	100	110	89.125	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006785	A13B1C6	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005232	A3B16C4	110	100	110	37.154	110
CO.COC(=O)C[N+]#[C-].CSCCC=O.NC(CCCNC(=N)N)C(=O)O	MC-0000006834	A16B2C6	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015368	A21B8C18	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017419	A17B11C21	110	100	41.59	35.481	110
CO.NCc1ccncc1.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007386	A6B10C7	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.OCC(O)C(O)CC=O	MC-0000006314	A27B10C5	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019817	A35B9C24	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003119	A3B15C1	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=CCc1ccccc1	MC-0000010604	A31B12C11	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000017898	A3B10C22	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013058	A9B2C15	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.OCC=O	MC-0000005065	A37B9C3	110	100	110	44.668	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000012707	A31B3C14	110	100	110	52.481	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000012279	A4B7C14	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1	MC-0000018610	A4B2C23	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007992	A44B8C7	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019565	A19B13C24	37.154	100	110	23.988	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013908	A18B4C16	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000003963	A12B11C2	54.954	32.1	52.21	14.791	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015538	A32B2C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007621	A21B5C7	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016007	A17B7C19	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000010137	A2B9C11	110	100	110	60.256	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000011718	A13B6C13	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000012359	A9B7C14	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007422	A8B14C7	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006336	A28B16C5	110	100	110	42.658	110
O.Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000009875	A30B3C10	110	100	110	45.709	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011553	A3B1C13	110	100	110	43.652	110
CO.CC(C)CC=O.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017222	A5B6C21	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012447	A14B15C14	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016205	A29B13C19	47.863	100	110	26.915	110
CO.COCC[N+]#[C-].NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009532	A8B12C10	110	100	110	110	110
O.CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O	MC-0000012928	A44B16C14	110	100	110	72.444	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016621	A11B13C20	110	100	99.91	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000009573	A11B5C10	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015668	A40B4C18	110	100	110	110	110
CO.Nc1ccncc1.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015620	A37B4C18	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CC1	MC-0000011409	A38B1C12	110	100	110	61.66	110
O.CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006270	A24B14C5	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[N+]#[C-].Nc1cccc(N)c1	MC-0000010791	A43B7C11	110	100	110	110	110
O.Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000011291	A30B11C12	110	100	50.68	33.113	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014375	A3B7C17	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014095	A29B15C16	110	100	110	110	110
CO.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016566	A8B6C20	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccs1	MC-0000011374	A35B14C12	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000009927	A33B7C10	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008273	A18B1C8	110	100	110	53.703	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1	MC-0000011169	A23B1C12	110	100	110	33.113	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019702	A28B6C24	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007671	A24B7C7	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000009505	A7B1C10	110	100	110	60.256	110
O.CO.Nc1ccccc1.C=O.[C-]#[N+]c1ccccc1	MC-0000017151	A44B15C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008861	A10B13C9	110	100	110	36.308	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000018694	A9B6C23	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013425	A32B1C15	83.176	100	110	41.687	110
CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].Nc1cccnc1	MC-0000010150	A3B6C11	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015525	A31B5C18	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005637	A29B5C4	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017836	A43B12C21	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.NCc1cccc(c1)C(=N)N	MC-0000004545	A5B1C3	110	100	110	67.608	110
CO.NCc1ccncc1.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019850	A37B10C24	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.OCC=O	MC-0000012813	A37B13C14	37.154	100	72.28	19.953	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000011666	A10B2C13	110	100	110	110	110
O.Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000004251	A30B11C2	110	100	83.17	25.704	110
CO.Nc1cccnc1.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014134	A32B6C16	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014339	A1B3C17	110	100	110	41.687	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008029	A2B13C8	45.709	100	110	26.303	110
O.CO.COCC[N+]#[C-].Nc1ccncc1.C=O	MC-0000010100	A44B4C10	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016711	A17B7C20	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019849	A37B9C24	110	100	110	26.303	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.OCC(O)C(O)CC=O	MC-0000011951	A27B15C13	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015302	A17B6C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005393	A14B1C4	110	100	110	30.903	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011555	A3B3C13	110	100	110	53.703	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007498	A13B10C7	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015241	A13B9C18	110	100	110	87.096	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.OCC=O	MC-0000011402	A37B10C12	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008123	A8B11C8	100	100	68.77	33.884	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=CCCc1ccccc1	MC-0000004004	A15B4C2	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.C=O	MC-0000019254	A44B6C23	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013726	A6B14C16	110	100	110	110	110
CO.CSCCC=O.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019508	A16B4C24	110	100	110	110	110
CO.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017060	A39B4C20	110	100	110	110	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015438	A25B14C18	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000004071	A19B7C2	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.OCc1ccc(C=O)o1	MC-0000009702	A19B6C10	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.NCc1cccnc1	MC-0000004732	A16B12C3	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007299	A1B3C7	110	100	110	45.709	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009328	A39B16C9	110	100	110	61.66	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018717	A10B13C23	28.184	100	110	53.703	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1ccccn1	MC-0000010618	A32B10C11	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009303	A38B7C9	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015304	A17B8C18	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016911	A29B15C20	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1C=O	MC-0000006518	A40B6C5	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008275	A18B3C8	110	100	110	58.884	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015939	A13B3C19	110	100	110	33.884	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016254	A32B14C19	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003523	A29B3C1	110	100	110	48.978	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018709	A10B5C23	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019870	A38B14C24	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013408	A30B16C15	110	100	110	51.286	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005587	A26B3C4	110	100	110	32.359	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007513	A14B9C7	110	100	110	110	110
CO.Nc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013940	A20B4C16	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015056	A1B16C18	110	100	110	44.668	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000011603	A6B3C13	110	100	110	67.608	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.OCC=O	MC-0000011407	A37B15C12	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=CCc1ccccc1	MC-0000018351	A31B15C22	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014721	A25B1C17	110	100	110	32.359	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1	MC-0000010344	A15B8C11	110	100	110	110	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003537	A30B1C1	110	100	110	33.884	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000018511	A41B15C22	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006749	A10B13C6	72.444	100	110	26.303	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016883	A28B3C20	110	100	110	41.687	110
O.CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014802	A30B2C17	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015671	A40B7C18	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008183	A12B7C8	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000011188	A24B4C12	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.OCc1ccc(C=O)o1	MC-0000018154	A19B10C22	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1	MC-0000004081	A20B1C2	9.55	99.9	110	0.09	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1C=O	MC-0000019199	A40B15C23	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015882	A9B10C19	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1	MC-0000012686	A29B14C14	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1	MC-0000011153	A22B1C12	110	100	110	43.652	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000011337	A33B9C12	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005830	A41B6C4	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O.C=CC[N+]#[C-]	MC-0000008696	A44B8C8	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000015002	A42B10C17	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015790	A3B14C19	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016630	A12B6C20	110	100	110	110	110
CO.Nc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017668	A33B4C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC=O.C=CC[N+]#[C-]	MC-0000008589	A37B13C8	35.481	99.9	57.25	22.387	110
Cl.Cl.CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011773	A16B13C13	38.019	100	110	17.783	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019614	A22B14C24	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013200	A17B16C15	110	52.2	110	40.738	110
CO.NCc1cccnc1.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014220	A37B12C16	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013248	A20B16C15	110	100	110	46.774	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015267	A15B3C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017576	A27B8C21	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019463	A13B7C24	110	100	110	110	110
CO.CSCCC=O.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015994	A16B10C19	110	100	110	110	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014377	A3B9C17	110	100	110	31.623	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000018560	A44B16C22	110	100	110	64.565	110
CO.NCc1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014645	A20B5C17	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009263	A35B15C9	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.OCC=O	MC-0000019148	A37B12C23	110	100	110	110	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009179	A30B11C9	110	100	64.54	27.542	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000017927	A5B7C22	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019406	A9B14C24	110	100	110	110	110
CO.CSCCC=O.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005439	A16B15C4	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.C=O	MC-0000005175	A44B7C3	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000012581	A23B5C14	110	100	110	79.433	110
CO.Nc1cccnc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015526	A31B6C18	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000012391	A11B7C14	110	100	110	110	110
CO.Nc1ccccc1.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014831	A31B15C17	110	100	110	110	110
CO.CCCCCC=O.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017164	A1B12C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014473	A9B9C17	110	100	110	64.565	110
CO.Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003287	A14B7C1	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000010475	A23B11C11	85.114	100	51.94	24.547	110
CO.NCc1cccnc1.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016796	A22B12C20	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013612	A43B12C15	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016790	A22B6C20	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014833	A32B1C17	93.325	100	110	26.915	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000010997	A12B5C12	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccco1	MC-0000003865	A6B9C2	110	100	110	5.37	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019805	A34B13C24	38.905	100	33.04	8.71	110
O.CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011534	A1B14C13	110	100	110	110	110
CO.NCc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014764	A27B12C17	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003904	A8B16C2	110	100	110	30.2	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006807	A14B7C6	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.OCc1ccc(C=O)o1	MC-0000011820	A19B12C13	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009319	A39B7C9	110	100	110	110	110
CO.Nc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014854	A33B6C17	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000018294	A28B6C22	110	100	110	110	110
CO.CCCC[N+]#[C-].CC(C)CC=O.Nc1cccc(N)c1	MC-0000012295	A5B7C14	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017255	A7B7C21	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007758	A29B14C7	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000017002	A35B10C20	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccn1	MC-0000018359	A32B7C22	110	100	110	110	110
CO.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003684	A39B4C1	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016390	A41B6C19	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc[nH]1	MC-0000004132	A23B4C2	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008080	A5B16C8	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000017923	A5B3C22	110	100	110	57.544	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1	MC-0000018926	A23B14C23	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011029	A14B5C12	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015043	A1B3C18	110	100	110	35.481	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000018666	A7B10C23	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1	MC-0000017912	A4B8C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017981	A8B13C22	30.2	100	99.91	50.119	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003505	A28B1C1	110	100	110	47.863	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007215	A39B15C6	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000018938	A24B10C23	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008676	A43B4C8	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000009924	A33B4C10	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017415	A17B7C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008845	A9B13C9	100	100	110	45.709	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000006249	A23B9C5	110	100	110	48.978	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008857	A10B9C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015774	A2B14C19	110	100	110	110	110
CO.CCCCCC=O.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003087	A1B15C1	110	100	110	110	110
CO.NCc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016972	A33B12C20	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016115	A24B3C19	110	100	110	18.621	110
CO.CC(=O)C=O.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009351	A41B7C9	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000004203	A27B11C2	110	100	71.65	35.481	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009341	A40B13C9	74.131	67.9	110	12.023	110
O.Cl.CO.NCc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014809	A30B9C17	110	100	110	24.547	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011793	A18B1C13	110	100	110	48.978	110
CO.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013551	A39B15C15	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009223	A33B7C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016619	A11B11C20	100	100	45.28	37.154	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015079	A3B7C18	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000018762	A13B10C23	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc[nH]1	MC-0000012582	A23B6C14	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015194	A10B10C18	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018969	A26B9C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000018018	A11B2C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O	MC-0000018481	A40B1C22	53.703	100	110	38.019	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccs1	MC-0000006439	A35B7C5	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015130	A6B10C18	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000004627	A10B3C3	110	100	110	64.565	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003147	A5B11C1	95.499	100	63.64	33.884	110
CO.Nc1ccncc1.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009204	A32B4C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019842	A37B2C24	110	100	110	110	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000010288	A11B16C11	110	75.1	90.73	60.256	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013537	A39B1C15	64.565	100	110	52.481	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019731	A30B3C24	60.256	100	86.59	8.71	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014056	A27B8C16	110	100	110	110	110
CO.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007362	A5B2C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013864	A15B8C16	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007838	A34B14C7	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008859	A10B11C9	110	100	89.56	42.658	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015457	A27B1C18	110	100	110	51.286	110
CO.COc1cccc(C=O)c1OC.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003751	A43B7C1	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000018043	A12B11C22	74.131	100	53.92	30.2	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000006736	A9B16C6	110	100	110	66.069	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016544	A6B16C20	110	100	110	56.234	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008666	A42B10C8	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019531	A17B11C24	110	100	40.6	35.481	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000010627	A33B3C11	110	100	110	61.66	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016173	A27B13C19	79.433	100	110	28.84	110
CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012912	A43B16C14	110	100	110	47.863	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018064	A13B16C22	110	100	110	72.444	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N	MC-0000004931	A29B3C3	110	100	110	61.66	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000019040	A30B16C23	110	100	110	12.023	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008942	A15B14C9	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCc1ccccc1	MC-0000007085	A31B13C6	40.738	100	110	36.308	110
CO.CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016821	A24B5C20	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000005994	A7B10C5	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004702	A14B14C3	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019778	A33B2C24	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000010257	A10B1C11	110	100	110	48.978	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000019226	A42B10C23	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009034	A21B10C9	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013980	A22B12C16	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013903	A17B15C16	110	100	110	110	110
O.CO.NCc1cccnc1.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014332	A44B12C16	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000017858	A1B2C22	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.NCc1cccc(N)c1	MC-0000007273	A43B9C6	110	100	110	32.359	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1	MC-0000012450	A15B2C14	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015463	A27B7C18	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000017131	A43B11C20	97.724	100	44.38	39.811	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013057	A9B1C15	110	100	110	57.544	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000005136	A41B16C3	110	100	110	70.795	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000018985	A27B9C23	110	100	110	61.66	110
Cl.Cl.CO.CCCCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012929	A1B1C15	110	100	110	45.709	110
CO.NCc1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016677	A15B5C20	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.OCC(O)C(O)CC=O	MC-0000018991	A27B15C23	110	100	110	110	110
CO.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014956	A39B12C17	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1coc2ccccc2c1=O	MC-0000017967	A7B15C22	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016634	A12B10C20	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.OCC=O	MC-0000018439	A37B7C22	110	100	110	110	110
Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000018537	A43B9C22	110	100	110	72.444	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000018822	A17B6C23	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000004016	A15B16C2	110	49.1	110	25.119	110
CO.NCc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005548	A23B12C4	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1	MC-0000010461	A22B13C11	36.308	100	110	30.903	110
CO.NCc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013228	A19B12C15	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.OCc1ccc(C=O)o1	MC-0000018156	A19B12C22	110	100	110	110	110
CO.Nc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003380	A20B4C1	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016608	A10B16C20	110	100	110	52.481	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016766	A20B14C20	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000004905	A27B9C3	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019375	A7B15C24	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.C=O	MC-0000012220	A44B12C13	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017085	A40B13C20	58.884	72.3	110	21.878	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015434	A25B10C18	110	100	110	110	110
O.O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.C=O	MC-0000010808	A44B8C11	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009400	A44B8C9	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015026	A44B2C17	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000018877	A20B13C23	30.903	95.5	74.89	23.442	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1	MC-0000018795	A15B11C23	110	100	37.27	34.674	110
CO.C[N+]#[C-].CC(=O)C=O.NCc1ccc(N)cc1	MC-0000010757	A41B5C11	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.NC(CCCNC(=N)N)C(=O)O	MC-0000004018	A16B2C2	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007826	A34B2C7	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015328	A18B16C18	110	100	110	50.119	110
CO.Nc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009220	A33B4C9	110	100	110	110	110
O.CO.CSCCC=O.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015998	A16B14C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007726	A27B14C7	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1	MC-0000011838	A20B14C13	110	100	110	110	110
Cl.CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000010825	A1B9C12	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1	MC-0000004118	A22B6C2	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005586	A26B2C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013264	A21B16C15	110	100	110	51.286	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016701	A16B13C20	110	100	110	110	110
CO.CCCCCC=O.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008005	A1B5C8	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018729	A11B9C23	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014611	A18B3C17	110	100	110	28.184	110
O.CO.CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003534	A29B14C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014847	A32B15C17	110	100	110	110	110
O.CO.Nc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016918	A30B6C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017453	A19B13C21	100	100	110	24.547	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000003938	A11B2C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017280	A8B16C21	110	100	110	61.66	110
CO.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013698	A5B2C16	110	100	110	67.608	110
CO.CCCC[N+]#[C-].NCc1cccnc1.Clc1ccc(C=O)cc1	MC-0000012284	A4B12C14	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1	MC-0000009671	A17B7C10	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005462	A18B6C4	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008717	A1B13C9	110	100	110	27.542	110
CO.CC(=O)C=O.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017807	A41B15C21	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008945	A16B1C9	110	100	110	41.687	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009165	A29B13C9	63.096	100	110	15.488	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018136	A18B8C22	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003704	A40B8C1	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017773	A39B13C21	29.512	86	87.31	33.884	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013938	A20B2C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007589	A19B5C7	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O.[C-]#[N+]c1ccccc1	MC-0000017144	A44B8C20	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000005913	A2B9C5	110	100	110	60.256	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1	MC-0000004055	A18B7C2	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccco1	MC-0000011614	A6B14C13	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000006404	A33B4C5	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007201	A39B1C6	110	100	110	48.978	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016485	A3B5C20	110	100	110	110	110
O.Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000006365	A30B13C5	93.325	100	110	24.547	110
CO.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013751	A8B7C16	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014113	A31B1C16	110	100	110	53.703	110
CO.Nc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003300	A15B4C1	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016131	A25B3C19	100	100	110	28.184	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.C=O	MC-0000012210	A44B2C13	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1	MC-0000006937	A22B9C6	110	100	110	27.542	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000019218	A42B2C23	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1	MC-0000009633	A15B1C10	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018776	A14B8C23	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016235	A31B11C19	110	100	71.47	38.905	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.Clc1ccc(C=O)cc1	MC-0000017914	A4B10C22	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1	MC-0000011825	A20B1C13	38.905	100	110	21.878	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019418	A10B10C24	110	100	110	110	110
CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000010826	A1B10C12	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014354	A2B2C17	110	100	110	110	110
CO.COCC[N+]#[C-].CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000009488	A5B16C10	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000012147	A40B3C13	110	100	110	81.283	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1ncc[nH]1	MC-0000004950	A30B6C3	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009261	A35B13C9	110	100	110	27.542	110
O.CO.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000014606	A17B14C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008136	A9B8C8	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005313	A9B1C4	54.954	100	110	30.2	110
CO.NCc1cccnc1.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005772	A37B12C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011232	A26B16C12	110	100	110	47.863	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005264	A5B16C4	110	100	110	85.114	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000011617	A7B1C13	110	100	110	44.668	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014864	A33B16C17	110	100	110	28.184	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019874	A39B2C24	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010546	A28B2C11	110	100	110	110	110
CO.Nc1ccccc1.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017647	A31B15C21	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011739	A14B11C13	83.176	100	48.52	33.884	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008554	A35B10C8	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014173	A34B13C16	30.2	100	57.7	25.119	110
CO.CC(C)CC=O.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008071	A5B7C8	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O	MC-0000007234	A41B2C6	110	100	110	110	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011953	A28B1C13	110	100	110	60.256	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016227	A31B3C19	110	100	110	28.84	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008415	A26B15C8	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017236	A6B4C21	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017528	A24B8C21	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008417	A27B1C8	110	100	110	29.512	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008309	A20B5C8	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016155	A26B11C19	110	100	50.32	38.019	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008843	A9B11C9	110	100	68.86	31.623	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013730	A7B2C16	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O	MC-0000004898	A27B2C3	110	100	110	110	110
O.CO.Nc1cccnc1.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015734	A44B6C18	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000004995	A33B3C3	110	100	110	56.234	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009339	A40B11C9	110	100	110	43.652	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014446	A7B14C17	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000018639	A5B15C23	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.OCC=O	MC-0000004367	A37B15C2	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019489	A15B1C24	61.66	100	110	33.884	110
CO.NCc1ccncc1.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005674	A31B10C4	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004185	A26B9C2	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000010632	A33B8C11	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013335	A26B7C15	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000011588	A5B4C13	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000018917	A23B5C23	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016974	A33B14C20	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1	MC-0000003817	A3B9C2	110	100	110	34.674	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000006187	A19B11C5	75.858	100	74.53	38.019	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012140	A39B12C13	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000009547	A9B11C10	36.308	100	99.91	72.444	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016376	A40B8C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016553	A7B9C20	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018627	A5B3C23	110	100	110	53.703	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003902	A8B14C2	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O	MC-0000012750	A33B14C14	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013792	A10B16C16	110	100	110	52.481	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CCCCC1	MC-0000009741	A21B13C10	51.286	100	110	36.308	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018678	A8B6C23	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017464	A20B8C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019424	A10B16C24	110	100	110	27.542	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019885	A39B13C24	2.692	73.3	110	11.482	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000018998	A28B6C23	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014563	A15B3C17	110	100	110	69.183	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015251	A14B3C18	110	100	110	46.774	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O	MC-0000007218	A40B2C6	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015291	A16B11C18	110	100	110	53.703	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1ccccn1	MC-0000010620	A32B12C11	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013967	A21B15C16	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000018132	A18B4C22	110	100	110	110	38.905
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc[nH]1	MC-0000011882	A23B10C13	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019727	A29B15C24	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016531	A6B3C20	110	100	110	50.119	110
Cl.CO.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013753	A8B9C16	110	100	110	110	110
O.CO.CSCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000014590	A16B14C17	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000012592	A23B16C14	110	100	110	23.988	110
CO.NCc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003260	A12B12C1	110	100	110	110	110
CO.NCc1ccncc1.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014922	A37B10C17	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000011624	A7B8C13	110	100	110	110	110
CO.NCc1cccnc1.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016940	A31B12C20	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].NCc1ccncc1	MC-0000006794	A13B10C6	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005576	A25B8C4	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N	MC-0000004161	A25B1C2	8.913	53.5	110	2.344	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=CC1CCCCC1	MC-0000004100	A21B4C2	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014579	A16B3C17	110	100	110	37.154	110
CO.Nc1ccccc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015567	A33B15C18	110	100	110	110	110
O.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000011289	A30B9C12	110	100	110	91.201	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000009467	A4B11C10	100	100	61.66	28.184	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003453	A24B13C1	110	100	110	37.154	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016941	A31B13C20	24.547	100	110	45.709	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=CCCc1ccccc1	MC-0000018788	A15B4C23	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017387	A15B11C21	110	100	46.99	44.668	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.Nc1ccncc1	MC-0000004452	A43B4C2	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005647	A29B15C4	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005473	A19B1C4	110	100	110	35.481	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015190	A10B6C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005416	A15B8C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019446	A12B6C24	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003305	A15B9C1	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(C)CC=O.Nc1ccncc1	MC-0000006660	A5B4C6	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007432	A9B8C7	110	100	110	110	110
Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019641	A24B9C24	110	100	110	41.687	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012969	A3B9C15	110	100	110	89.125	110
O.CO.CC(=O)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000014990	A41B14C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014210	A37B2C16	110	100	110	110	110
CO.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005798	A39B6C4	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016817	A24B1C20	110	100	110	70.795	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015520	A30B16C18	110	100	110	67.608	110
O.CO.CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005646	A29B14C4	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000006556	A42B12C5	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013353	A27B9C15	110	100	110	74.131	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008135	A9B7C8	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000017879	A2B7C22	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccccn1	MC-0000012730	A32B10C14	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000010413	A19B13C11	42.658	100	79.84	22.387	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019432	A11B8C24	110	100	99.37	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O	MC-0000018984	A27B8C23	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016657	A14B1C20	110	100	110	63.096	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccs1	MC-0000007150	A35B14C6	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1ncc[nH]1	MC-0000011290	A30B10C12	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009099	A25B11C9	110	100	67.78	27.542	110
O.CO.CCN(CC)CC.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011768	A16B8C13	110	100	110	110	110
CO.COCC[N+]#[C-].CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010064	A41B16C10	110	100	110	44.668	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008624	A39B16C8	110	100	110	47.863	110
Cl.Cl.CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011587	A5B3C13	110	100	110	54.954	110
CO.NCc1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014757	A27B5C17	110	100	110	110	110
O.CO.NCc1cccnc1.C=O.[C-]#[N+]C1CCCCC1	MC-0000005884	A44B12C4	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N	MC-0000004163	A25B3C2	93.325	100	110	0.398	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009313	A39B1C9	110	100	110	51.286	110
CO.NCc1cccnc1.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019852	A37B12C24	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011219	A26B3C12	110	100	110	54.954	110
CO.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008978	A18B2C9	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1cccs1	MC-0000018406	A35B6C22	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008251	A16B11C8	81.283	100	80.02	39.811	110
CO.Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005591	A26B7C4	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019609	A22B9C24	110	100	110	48.978	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014555	A14B11C17	26.915	100	70.93	28.184	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1cccs1	MC-0000005029	A35B5C3	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013944	A20B8C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019554	A19B2C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013291	A23B11C15	28.84	93.3	21.52	18.197	110
O.CO.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019566	A19B14C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019349	A6B5C24	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009162	A29B10C9	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017744	A37B16C21	110	100	110	57.544	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003238	A11B6C1	110	100	110	110	110
CO.CCCCCC=O.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019276	A1B12C24	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.Clc1ccc(C=O)cc1	MC-0000017916	A4B12C22	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013448	A33B8C15	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010950	A9B6C12	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014942	A38B14C17	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007622	A21B6C7	110	100	110	110	110
O.O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.C=O	MC-0000019256	A44B8C23	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016892	A28B12C20	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].CSCCC=O.NCc1cccc(N)c1	MC-0000012473	A16B9C14	110	100	110	48.978	110
CO.Nc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016548	A7B4C20	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000003932	A10B12C2	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016815	A23B15C20	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=CCCc1ccccc1	MC-0000018089	A15B9C22	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008351	A22B15C8	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015941	A13B5C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019401	A9B9C24	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1	MC-0000009849	A28B9C10	110	100	110	74.131	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1	MC-0000009598	A12B14C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1	MC-0000009846	A28B6C10	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015680	A40B16C18	110	100	110	47.863	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008211	A14B3C8	110	100	110	56.234	110
CO.Nc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003623	A35B7C1	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000011215	A25B15C12	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016887	A28B7C20	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000018279	A27B7C22	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005513	A21B9C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000012188	A42B12C13	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=CCCc1ccccc1	MC-0000006821	A15B5C6	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008609	A39B1C8	110	100	110	44.668	110
CO.Nc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015142	A7B6C18	110	100	110	110	110
CO.Nc1ccccc1.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016943	A31B15C20	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015884	A9B12C19	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=CC1CC1	MC-0000007191	A38B7C6	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000015004	A42B12C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007326	A2B14C7	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003441	A24B1C1	32.359	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=CC=Cc1ccccc1	MC-0000006911	A20B15C6	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008920	A14B8C9	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009071	A23B15C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015465	A27B9C18	110	100	110	48.978	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1	MC-0000006935	A22B7C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006984	A25B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013704	A5B8C16	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000018665	A7B9C23	110	100	110	34.674	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013667	A3B3C16	110	100	110	61.66	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019555	A19B3C24	110	100	110	39.811	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015201	A11B1C18	110	100	89.2	56.234	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015202	A11B2C18	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000005956	A5B4C5	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000011821	A19B13C13	64.565	100	110	25.119	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014946	A39B2C17	110	100	110	110	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000009600	A12B16C10	110	100	110	39.811	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007947	A41B11C7	81.283	100	28.54	21.878	110
CO.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013045	A8B5C15	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1ccccn1	MC-0000011324	A32B12C12	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016739	A19B3C20	110	100	110	58.884	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000015021	A43B13C17	13.183	79.6	110	39.811	110
CO.NCc1cccnc1.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017052	A38B12C20	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006104	A14B8C5	110	100	110	110	110
CO.Nc1ccncc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016036	A19B4C19	110	100	110	110	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000019027	A30B3C23	110	100	110	13.804	110
CO.CSCCC=O.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019510	A16B6C24	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009146	A28B10C9	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016150	A26B6C19	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015426	A25B2C18	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008965	A17B5C9	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000004996	A33B4C3	110	100	110	110	110
CO.CCCCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016450	A1B2C20	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011568	A3B16C13	110	100	110	56.234	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008167	A11B7C8	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013458	A34B2C15	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1	MC-0000004516	A3B4C3	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019937	A43B1C24	35.481	100	110	26.303	110
CO.Nc1ccncc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016404	A42B4C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016158	A26B14C19	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016696	A16B8C20	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000006775	A12B7C6	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000017004	A35B12C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019602	A22B2C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016533	A6B5C20	110	100	110	110	110
O.CO.Nc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005652	A30B4C4	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011495	A43B7C12	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015780	A3B4C19	110	100	110	110	110
O.CO.NCc1cccnc1.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019964	A44B12C24	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.Clc1nc2ccccc2cc1C=O	MC-0000012751	A33B15C14	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014648	A20B8C17	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1ccco1	MC-0000005974	A6B6C5	110	100	110	110	110
CO.Nc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013686	A4B6C16	110	100	110	110	110
CO.CCCCCC=O.COCC[N+]#[C-].Nc1cccc(N)c1	MC-0000009415	A1B7C10	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014241	A39B1C16	70.795	100	110	40.738	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.OCC=O	MC-0000006476	A37B12C5	110	100	110	110	110
O.CO.NCc1ccncc1.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007994	A44B10C7	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O	MC-0000018482	A40B2C22	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009138	A28B2C9	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015169	A9B1C18	100	100	110	67.608	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008621	A39B13C8	15.488	61.9	88.93	22.909	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O	MC-0000011937	A27B1C13	110	100	110	52.481	110
CO.CC(C)CC=O.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012997	A5B5C15	110	100	110	110	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.C=O	MC-0000018545	A44B1C22	110	100	110	30.2	110
CO.CCOC(=O)C1CC1C=O.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008372	A24B4C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014766	A27B14C17	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015481	A28B9C18	110	100	110	67.608	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1	MC-0000009753	A22B9C10	110	100	110	91.201	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.OCc1ccc(C=O)o1	MC-0000018860	A19B12C23	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005259	A5B11C4	110	100	58.87	38.905	110
Cl.Cl.CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018563	A1B3C23	110	100	110	26.915	110
O.Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000004243	A30B3C2	110	100	110	7.244	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000006329	A28B9C5	110	100	110	69.183	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.C=O	MC-0000004479	A44B15C2	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016854	A26B6C20	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000018826	A17B10C23	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019862	A38B6C24	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019703	A28B7C24	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007809	A33B1C7	110	100	110	70.795	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008288	A18B16C8	110	100	110	56.234	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000012036	A33B4C13	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015196	A10B12C18	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008500	A32B4C8	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=CC1CCCCC1	MC-0000006922	A21B10C6	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017976	A8B8C22	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000012321	A7B1C14	110	100	110	70.795	110
CO.NCc1cccnc1.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015132	A6B12C18	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=CCCc1ccccc1	MC-0000006825	A15B9C6	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009185	A31B1C9	87.096	100	110	42.658	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000007110	A33B6C6	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016290	A35B2C19	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014352	A1B16C17	110	68.1	110	51.286	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000007223	A40B7C6	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019902	A40B14C24	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000006148	A17B4C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018072	A14B8C22	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019546	A18B10C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015442	A26B2C18	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014983	A41B7C17	110	100	110	110	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008467	A30B3C8	110	100	110	43.652	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008668	A42B12C8	110	100	110	110	110
CO.CSCCC=O.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019511	A16B7C24	110	100	110	110	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015691	A41B11C18	67.608	100	28.27	28.84	110
CO.Nc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014135	A32B7C16	110	100	110	110	110
CO.CCCCCC=O.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008015	A1B15C8	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1	MC-0000004043	A17B11C2	83.176	100	60.58	30.2	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016256	A32B16C19	110	80.7	110	27.542	100
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017685	A34B5C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005289	A7B9C4	110	100	110	110	110
Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013193	A17B9C15	110	100	110	81.283	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017377	A15B1C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009017	A20B9C9	110	100	110	66.069	110
CO.Nc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013255	A21B7C15	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1cccs1	MC-0000012074	A35B10C13	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000006405	A33B5C5	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018674	A8B2C23	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019412	A10B4C24	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003651	A37B3C1	60.256	100	70.66	12.882	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009283	A37B3C9	110	100	110	30.2	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019843	A37B3C24	81.283	100	49.96	3.467	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016339	A38B3C19	110	100	110	23.988	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016179	A28B3C19	110	100	110	30.903	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003571	A32B3C1	110	100	110	48.978	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019763	A32B3C24	110	100	46.9	28.184	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003763	A44B3C1	46.774	100	110	0.646	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016435	A44B3C19	110	100	110	5.129	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019619	A23B3C24	110	100	110	21.878	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016019	A18B3C19	110	100	110	24.547	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007875	A37B3C7	110	100	110	22.909	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007987	A44B3C7	110	100	110	48.978	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007651	A23B3C7	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007571	A18B3C7	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.OCC=O	MC-0000019149	A37B13C23	34.674	100	30.79	13.804	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019853	A37B13C24	10.965	53.7	45.64	4.786	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CC1	MC-0000019165	A38B13C23	35.481	100	91.36	23.442	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016349	A38B13C19	52.481	100	110	28.84	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009117	A26B13C9	110	100	110	29.512	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009213	A32B13C9	110	100	110	44.668	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019773	A32B13C24	38.905	100	76.69	25.704	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019965	A44B13C24	28.184	100	82.81	16.218	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008925	A14B13C9	110	100	110	27.542	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019485	A14B13C24	43.652	100	110	19.498	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003437	A23B13C1	58.884	100	72.73	15.136	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009069	A23B13C9	110	100	110	22.909	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019629	A23B13C24	50.119	100	110	21.878	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003357	A18B13C1	81.283	100	110	30.2	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017437	A18B13C21	93.325	100	110	36.308	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016029	A18B13C19	50.119	93.6	110	28.184	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007741	A28B13C7	43.652	100	110	27.542	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007517	A14B13C7	46.774	100	110	46.774	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007661	A23B13C7	53.703	100	110	24.547	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017731	A37B3C21	110	100	79.93	32.359	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000018435	A37B3C22	110	100	110	29.512	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000019139	A37B3C23	110	100	95.14	1.995	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016323	A37B3C19	110	100	87.22	0.245	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003667	A38B3C1	110	100	41.86	42.658	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009299	A38B3C9	110	100	110	38.905	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019859	A38B3C24	110	100	110	21.38	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003475	A26B3C1	110	100	110	60.256	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009107	A26B3C9	110	100	110	40.738	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018963	A26B3C23	110	100	110	50.119	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016147	A26B3C19	47.863	100	110	30.903	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019667	A26B3C24	110	100	110	24.547	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017811	A42B3C21	110	100	110	52.481	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000018515	A42B3C22	110	100	110	72.444	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016403	A42B3C19	57.544	79.8	110	17.378	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009139	A28B3C9	110	100	110	28.184	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019699	A28B3C24	110	100	110	30.2	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017651	A32B3C21	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000018355	A32B3C22	110	100	110	46.774	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000019059	A32B3C23	110	100	110	7.943	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016243	A32B3C19	110	100	110	1.479	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009395	A44B3C9	110	100	110	26.915	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017843	A44B3C21	110	100	110	13.49	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000018547	A44B3C22	110	100	110	67.608	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000019251	A44B3C23	110	100	110	0.776	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019955	A44B3C24	110	100	110	2.818	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003283	A14B3C1	110	100	110	51.286	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017363	A14B3C21	110	100	110	45.709	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018067	A14B3C22	110	100	110	47.863	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015955	A14B3C19	100	100	110	33.884	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003427	A23B3C1	110	100	11.89	20.893	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009059	A23B3C9	110	100	99.91	28.184	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017507	A23B3C21	110	100	85.78	47.863	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000018211	A23B3C22	110	100	110	23.988	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000018915	A23B3C23	110	100	110	31.623	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016099	A23B3C19	110	100	110	29.512	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003347	A18B3C1	110	100	110	77.625	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008979	A18B3C9	110	100	110	60.256	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018835	A18B3C23	110	100	110	42.658	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019539	A18B3C24	110	100	110	22.909	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007891	A38B3C7	110	100	110	46.774	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007955	A42B3C7	110	100	110	75.858	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007731	A28B3C7	110	100	110	69.183	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007507	A14B3C7	110	100	110	85.114	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003661	A37B13C1	30.2	42.6	89.29	3.02	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009293	A37B13C9	57.544	100	110	24.547	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017741	A37B13C21	37.154	100	27.37	25.704	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.OCC=O	MC-0000018445	A37B13C22	27.542	100	38.17	10.715	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016333	A37B13C19	35.481	69.2	84.34	16.982	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003677	A38B13C1	67.608	100	110	13.49	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009309	A38B13C9	110	100	110	30.903	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CC1	MC-0000018461	A38B13C22	39.811	100	88.39	23.988	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019869	A38B13C24	28.84	100	110	14.791	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003485	A26B13C1	58.884	100	110	16.982	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017565	A26B13C21	69.183	100	110	40.738	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018269	A26B13C22	23.442	100	110	28.84	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018973	A26B13C23	22.909	100	110	38.019	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016157	A26B13C19	51.286	100	110	35.481	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019677	A26B13C24	39.811	100	110	13.49	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003741	A42B13C1	57.544	100	110	25.704	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009373	A42B13C9	110	100	110	32.359	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017821	A42B13C21	41.687	100	110	39.811	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000018525	A42B13C22	13.49	100	110	24.547	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000019229	A42B13C23	2.754	100	96.94	19.953	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016413	A42B13C19	7.762	100	99.91	14.791	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003517	A28B13C1	110	100	110	30.903	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009149	A28B13C9	110	100	110	22.909	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018301	A28B13C22	31.623	100	110	31.623	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000019005	A28B13C23	17.783	100	110	23.442	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016189	A28B13C19	34.674	100	88.03	22.909	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019709	A28B13C24	60.256	100	110	29.512	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017661	A32B13C21	29.512	100	110	46.774	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccn1	MC-0000018365	A32B13C22	23.988	100	69.67	22.387	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccn1	MC-0000019069	A32B13C23	23.988	100	79.48	23.988	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016253	A32B13C19	8.511	72.8	65.71	6.026	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003773	A44B13C1	87.096	100	110	11.749	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009405	A44B13C9	110	100	110	33.884	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017853	A44B13C21	54.954	100	58.15	31.623	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.C=O	MC-0000018557	A44B13C22	31.623	100	53.2	14.791	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.C=O	MC-0000019261	A44B13C23	21.878	93.2	48.34	2.291	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003293	A14B13C1	81.283	100	110	23.442	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017373	A14B13C21	69.183	100	110	33.884	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018077	A14B13C22	37.154	100	110	41.687	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018781	A14B13C23	26.303	100	110	29.512	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015965	A14B13C19	50.119	100	110	47.863	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017517	A23B13C21	52.481	100	94.06	38.019	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000018221	A23B13C22	57.544	100	110	12.882	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000018925	A23B13C23	39.811	100	110	15.488	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016109	A23B13C19	110	100	110	27.542	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008989	A18B13C9	110	100	110	41.687	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018141	A18B13C22	44.668	100	99.82	60.256	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018845	A18B13C23	32.359	100	79.75	33.884	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019549	A18B13C24	38.019	100	110	25.704	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007901	A38B13C7	64.565	100	110	30.2	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007709	A26B13C7	46.774	100	110	26.915	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007965	A42B13C7	30.2	29.4	110	19.953	12.882
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007805	A32B13C7	51.286	100	110	26.915	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007997	A44B13C7	30.2	33.2	110	14.791	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007581	A18B13C7	100	100	110	44.668	110
Cl.Cl.CO.CCCCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003073	A1B1C1	110	100	110	33.884	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003105	A3B1C1	110	100	110	63.096	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003169	A7B1C1	28.184	100	110	69.183	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003201	A9B1C1	110	100	110	64.565	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003217	A10B1C1	16.982	100	110	38.905	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003233	A11B1C1	33.884	100	76.69	39.811	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003249	A12B1C1	40.738	100	110	37.154	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003265	A13B1C1	50.119	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003281	A14B1C1	60.256	100	110	37.154	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003297	A15B1C1	110	100	110	66.069	110
Cl.Cl.CO.CSCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003313	A16B1C1	110	100	110	54.954	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003361	A19B1C1	110	100	110	46.774	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003393	A21B1C1	110	100	110	67.608	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003409	A22B1C1	110	100	110	61.66	110
CO.CCCCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003074	A1B2C1	110	66.3	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003090	A2B2C1	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003106	A3B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003122	A4B2C1	110	100	110	110	110
CO.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003138	A5B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003170	A7B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003202	A9B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003234	A11B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003250	A12B2C1	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003266	A13B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003298	A15B2C1	110	100	110	110	110
CO.CSCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003314	A16B2C1	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003330	A17B2C1	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003346	A18B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003362	A19B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003378	A20B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003394	A21B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003410	A22B2C1	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003075	A1B3C1	110	100	56.62	28.84	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003091	A2B3C1	110	100	53.29	50.119	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003107	A3B3C1	110	100	110	48.978	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003123	A4B3C1	110	100	99.01	40.738	110
Cl.Cl.CO.CC(C)CC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003139	A5B3C1	110	100	56.35	33.884	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003155	A6B3C1	110	100	51.13	30.2	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003171	A7B3C1	110	100	81.1	46.774	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003203	A9B3C1	110	100	110	85.114	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003235	A11B3C1	110	91	39.7	42.658	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003251	A12B3C1	110	100	110	33.884	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003267	A13B3C1	110	100	76.69	81.283	110
Cl.Cl.CO.CSCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003315	A16B3C1	110	100	35.65	17.783	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003331	A17B3C1	110	100	110	47.863	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003363	A19B3C1	110	100	110	56.234	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003379	A20B3C1	110	100	110	37.154	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003395	A21B3C1	110	100	75.61	72.444	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003411	A22B3C1	110	100	87.67	38.019	110
CO.Nc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003092	A2B4C1	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003156	A6B4C1	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003172	A7B4C1	110	100	110	110	110
CO.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003188	A8B4C1	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003220	A10B4C1	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003268	A13B4C1	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003284	A14B4C1	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003396	A21B4C1	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003412	A22B4C1	110	100	110	110	110
CO.CCCCCC=O.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003077	A1B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003093	A2B5C1	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003109	A3B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003125	A4B5C1	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003141	A5B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003173	A7B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003205	A9B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003237	A11B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003253	A12B5C1	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003269	A13B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003301	A15B5C1	110	100	110	110	110
CO.CSCCC=O.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003317	A16B5C1	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003333	A17B5C1	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003349	A18B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003365	A19B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003381	A20B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003397	A21B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003413	A22B5C1	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003094	A2B6C1	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003158	A6B6C1	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003174	A7B6C1	110	100	110	110	110
CO.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003190	A8B6C1	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003222	A10B6C1	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003286	A14B6C1	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003398	A21B6C1	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003414	A22B6C1	110	100	110	110	110
CO.CCCCCC=O.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003079	A1B7C1	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003111	A3B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003127	A4B7C1	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003143	A5B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003159	A6B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003175	A7B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003191	A8B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003207	A9B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003223	A10B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003239	A11B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003303	A15B7C1	110	100	110	110	110
CO.CSCCC=O.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003319	A16B7C1	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003335	A17B7C1	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003351	A18B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003367	A19B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003383	A20B7C1	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003112	A3B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003128	A4B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003144	A5B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003160	A6B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003176	A7B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003192	A8B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003208	A9B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003224	A10B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003240	A11B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003256	A12B8C1	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003272	A13B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003288	A14B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003368	A19B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003400	A21B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003416	A22B8C1	110	100	110	110	110
Cl.CO.CCCCCC=O.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003081	A1B9C1	110	100	110	36.308	110
Cl.CO.NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003097	A2B9C1	110	100	110	110	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003113	A3B9C1	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003129	A4B9C1	110	100	110	53.703	110
Cl.CO.CC(C)CC=O.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003145	A5B9C1	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003161	A6B9C1	110	100	110	52.481	110
Cl.CO.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003193	A8B9C1	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003209	A9B9C1	110	100	110	79.433	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003225	A10B9C1	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003241	A11B9C1	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003273	A13B9C1	110	100	110	110	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003353	A18B9C1	110	100	110	81.283	110
Cl.CO.NCc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003369	A19B9C1	110	100	110	61.66	110
Cl.CO.NCc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003385	A20B9C1	110	100	110	91.201	110
Cl.CO.NCc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003401	A21B9C1	110	100	110	110	110
CO.CCCCCC=O.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003082	A1B10C1	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003098	A2B10C1	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003114	A3B10C1	110	100	110	110	110
CO.NCc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003130	A4B10C1	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003146	A5B10C1	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003162	A6B10C1	110	100	110	110	110
CO.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003194	A8B10C1	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003210	A9B10C1	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003226	A10B10C1	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003242	A11B10C1	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003290	A14B10C1	110	100	110	110	110
CO.NCc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003306	A15B10C1	110	100	110	110	110
CO.CSCCC=O.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003322	A16B10C1	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003338	A17B10C1	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003354	A18B10C1	110	100	110	110	110
CO.NCc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003370	A19B10C1	110	100	110	110	110
CO.NCc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003386	A20B10C1	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003131	A4B11C1	110	100	64	20.417	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003163	A6B11C1	23.988	100	79.21	14.791	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003179	A7B11C1	100	100	76.15	30.903	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003195	A8B11C1	110	100	65.71	27.542	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003211	A9B11C1	110	100	99.91	48.978	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003243	A11B11C1	100	70.6	49.42	37.154	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003259	A12B11C1	75.858	81.7	53.65	16.596	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003291	A14B11C1	110	100	76.87	26.915	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003307	A15B11C1	110	100	96.13	40.738	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003323	A16B11C1	85.114	100	74.26	14.791	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003339	A17B11C1	110	100	65.89	35.481	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003355	A18B11C1	110	100	59.05	26.915	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003371	A19B11C1	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003403	A21B11C1	110	100	73.54	39.811	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003419	A22B11C1	110	100	84.25	35.481	110
CO.CCCCCC=O.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003084	A1B12C1	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003100	A2B12C1	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003116	A3B12C1	110	100	110	110	110
CO.NCc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003132	A4B12C1	110	100	110	110	110
CO.CC(C)CC=O.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003148	A5B12C1	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003164	A6B12C1	110	100	110	110	110
CO.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003196	A8B12C1	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003212	A9B12C1	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003228	A10B12C1	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003244	A11B12C1	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003292	A14B12C1	110	100	110	110	110
CO.NCc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003308	A15B12C1	110	100	110	110	110
CO.CSCCC=O.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003324	A16B12C1	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003340	A17B12C1	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003356	A18B12C1	110	100	110	110	110
CO.NCc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003372	A19B12C1	110	100	110	110	110
CO.NCc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003388	A20B12C1	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003165	A6B13C1	17.783	29.1	78.04	11.482	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003181	A7B13C1	57.544	100	110	24.547	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003245	A11B13C1	100	72.5	69.67	25.704	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003261	A12B13C1	33.884	100	99.91	10.715	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003277	A13B13C1	110	100	110	58.884	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003325	A16B13C1	35.481	100	110	12.023	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003341	A17B13C1	79.433	100	110	26.303	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003405	A21B13C1	60.256	100	110	22.387	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003421	A22B13C1	110	100	110	42.658	110
O.CO.CCCCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003086	A1B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003102	A2B14C1	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003118	A3B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003134	A4B14C1	110	100	110	110	110
O.CO.CC(C)CC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003150	A5B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003182	A7B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003214	A9B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003246	A11B14C1	110	100	99.91	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003262	A12B14C1	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003278	A13B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003310	A15B14C1	110	100	110	110	110
O.CO.CSCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003326	A16B14C1	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003342	A17B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003406	A21B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003422	A22B14C1	110	100	110	110	110
CO.Nc1ccccc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003135	A4B15C1	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003151	A5B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003167	A6B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003183	A7B15C1	110	100	110	110	110
CO.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003199	A8B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003215	A9B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003231	A10B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003247	A11B15C1	110	78.3	99.91	110	110
CO.Nc1ccccc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003263	A12B15C1	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003279	A13B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003295	A14B15C1	110	100	110	110	110
CO.Nc1ccccc1.OCc1ccc(C=O)o1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003375	A19B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003407	A21B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003423	A22B15C1	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003088	A1B16C1	110	100	28.45	22.387	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003104	A2B16C1	110	100	49.33	60.256	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003136	A4B16C1	110	100	86.59	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003168	A6B16C1	110	100	99.91	40.738	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003184	A7B16C1	110	100	78.85	57.544	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003232	A10B16C1	110	100	99.91	50.119	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003280	A13B16C1	110	100	92.44	69.183	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003296	A14B16C1	110	100	99.91	75.858	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003312	A15B16C1	110	100	71.11	93.325	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003344	A17B16C1	110	100	110	61.66	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003360	A18B16C1	110	100	110	70.795	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003392	A20B16C1	110	100	110	52.481	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003408	A21B16C1	110	100	82.36	64.565	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003424	A22B16C1	110	100	99.91	58.884	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003425	A23B1C1	110	100	110	17.378	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003457	A25B1C1	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003489	A27B1C1	110	100	110	39.811	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003553	A31B1C1	100	100	110	43.652	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003569	A32B1C1	83.176	100	110	25.119	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003601	A34B1C1	60.256	100	90.28	15.136	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003649	A37B1C1	64.565	100	110	7.079	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003665	A38B1C1	110	100	110	57.544	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003681	A39B1C1	110	100	110	50.119	110
Cl.Cl.CO.CC(=O)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003713	A41B1C1	110	100	110	5.129	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003729	A42B1C1	51.286	100	110	45.709	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003745	A43B1C1	31.623	100	110	14.125	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003761	A44B1C1	110	100	110	3.236	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003426	A23B2C1	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003458	A25B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003490	A27B2C1	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003538	A30B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003554	A31B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003570	A32B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003586	A33B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003650	A37B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003666	A38B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003682	A39B2C1	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003698	A40B2C1	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003746	A43B2C1	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003762	A44B2C1	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003443	A24B3C1	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003459	A25B3C1	110	100	93.16	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003491	A27B3C1	110	100	57.88	29.512	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003539	A30B3C1	110	100	110	32.359	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003555	A31B3C1	110	100	43.12	16.218	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003587	A33B3C1	110	100	110	46.774	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003619	A35B3C1	110	100	99.91	52.481	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003683	A39B3C1	110	100	110	51.286	110
Cl.Cl.CO.CC(=O)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003715	A41B3C1	110	100	52.84	5.37	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003747	A43B3C1	110	100	110	51.286	110
CO.Nc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003428	A23B4C1	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003444	A24B4C1	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003476	A26B4C1	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003508	A28B4C1	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003524	A29B4C1	110	100	110	110	110
CO.Nc1ccncc1.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003556	A31B4C1	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003572	A32B4C1	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003604	A34B4C1	110	100	110	79.433	110
CO.Nc1ccncc1.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003620	A35B4C1	110	100	110	110	110
CO.Nc1ccncc1.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003652	A37B4C1	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003716	A41B4C1	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003732	A42B4C1	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003748	A43B4C1	110	100	110	110	110
O.CO.Nc1ccncc1.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003764	A44B4C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003429	A23B5C1	110	100	110	89.125	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003461	A25B5C1	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003541	A30B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003557	A31B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003573	A32B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003589	A33B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003653	A37B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003669	A38B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003685	A39B5C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003701	A40B5C1	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003749	A43B5C1	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003765	A44B5C1	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003430	A23B6C1	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003446	A24B6C1	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003510	A28B6C1	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003526	A29B6C1	110	100	110	110	110
CO.Nc1cccnc1.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003558	A31B6C1	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003574	A32B6C1	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003606	A34B6C1	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003622	A35B6C1	110	100	110	110	110
CO.Nc1cccnc1.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003654	A37B6C1	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003734	A42B6C1	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003750	A43B6C1	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003447	A24B7C1	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003463	A25B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003495	A27B7C1	110	100	110	110	110
O.CO.Nc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003543	A30B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003559	A31B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003591	A33B7C1	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003607	A34B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003671	A38B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003687	A39B7C1	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003703	A40B7C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003432	A23B8C1	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003448	A24B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003480	A26B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003512	A28B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003560	A31B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003576	A32B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003608	A34B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003624	A35B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003656	A37B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003672	A38B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003720	A41B8C1	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003736	A42B8C1	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003768	A44B8C1	110	100	110	110	110
Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003449	A24B9C1	110	100	110	110	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003465	A25B9C1	110	100	110	69.183	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003481	A26B9C1	110	100	110	70.795	110
Cl.CO.NCc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003497	A27B9C1	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003513	A28B9C1	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003529	A29B9C1	110	100	110	70.795	110
O.Cl.CO.NCc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003545	A30B9C1	110	100	110	53.703	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003609	A34B9C1	110	100	110	52.481	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003625	A35B9C1	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003673	A38B9C1	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003705	A40B9C1	110	100	110	110	110
Cl.CO.CC(=O)C=O.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003721	A41B9C1	110	100	110	33.113	110
Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003753	A43B9C1	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003450	A24B10C1	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003482	A26B10C1	110	100	110	110	110
CO.NCc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003498	A27B10C1	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003530	A29B10C1	110	100	110	110	110
O.CO.NCc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003546	A30B10C1	110	100	110	110	110
CO.NCc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003594	A33B10C1	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003610	A34B10C1	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003674	A38B10C1	110	100	110	110	110
CO.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003690	A39B10C1	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003706	A40B10C1	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccncc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003722	A41B10C1	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003738	A42B10C1	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003435	A23B11C1	79.433	73	46.36	14.791	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003467	A25B11C1	85.114	84.3	57.61	30.2	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003499	A27B11C1	110	100	76.33	30.903	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003547	A30B11C1	110	100	64.72	25.119	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003563	A31B11C1	52.481	100	98.56	21.38	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003579	A32B11C1	110	100	70.75	16.596	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003595	A33B11C1	110	100	99.91	44.668	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003659	A37B11C1	28.84	78	52.93	11.749	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003707	A40B11C1	110	100	110	26.303	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003723	A41B11C1	100	100	79.21	38.905	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003739	A42B11C1	110	100	70.39	15.849	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003755	A43B11C1	110	100	71.65	26.915	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003771	A44B11C1	110	100	61.12	26.915	110
CO.CCOC(=O)C1CC1C=O.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003452	A24B12C1	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003484	A26B12C1	110	100	110	110	110
CO.NCc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003500	A27B12C1	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003516	A28B12C1	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003532	A29B12C1	110	100	110	110	110
O.CO.NCc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003548	A30B12C1	110	100	110	110	110
CO.NCc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003596	A33B12C1	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003612	A34B12C1	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003628	A35B12C1	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003676	A38B12C1	110	100	110	110	110
CO.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003692	A39B12C1	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003708	A40B12C1	110	100	110	110	110
CO.CC(=O)C=O.NCc1cccnc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003724	A41B12C1	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003469	A25B13C1	110	100	110	38.019	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003533	A29B13C1	75.858	100	110	19.055	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003549	A30B13C1	110	100	110	29.512	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003565	A31B13C1	53.703	85.5	110	17.378	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003597	A33B13C1	87.096	100	110	21.38	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003613	A34B13C1	47.863	49	59.86	9.12	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003693	A39B13C1	33.113	100	110	23.988	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003757	A43B13C1	54.954	100	110	33.113	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003438	A23B14C1	110	100	110	110	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003470	A25B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003502	A27B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003566	A31B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003582	A32B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003598	A33B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003662	A37B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003678	A38B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003694	A39B14C1	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003710	A40B14C1	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003758	A43B14C1	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003774	A44B14C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003439	A23B15C1	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003455	A24B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003487	A26B15C1	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003519	A28B15C1	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003535	A29B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003567	A31B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003583	A32B15C1	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003615	A34B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003631	A35B15C1	110	100	110	110	110
CO.Nc1ccccc1.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003663	A37B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CC1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003679	A38B15C1	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003727	A41B15C1	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003743	A42B15C1	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003759	A43B15C1	110	100	110	110	110
O.CO.Nc1ccccc1.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003775	A44B15C1	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003440	A23B16C1	110	100	14.86	40.738	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003472	A25B16C1	110	100	60.67	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003504	A27B16C1	110	100	49.6	54.954	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003552	A30B16C1	110	100	110	60.256	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003568	A31B16C1	110	100	30.34	23.988	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003584	A32B16C1	110	100	110	56.234	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003600	A33B16C1	110	100	110	61.66	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003632	A35B16C1	110	100	75.07	52.481	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003664	A37B16C1	89.125	100	30.88	11.482	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003696	A39B16C1	110	100	86.5	56.234	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003744	A42B16C1	110	100	69.94	57.544	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003760	A43B16C1	110	100	110	42.658	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003776	A44B16C1	51.286	100	110	0.09	110
Cl.Cl.CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000003777	A1B1C2	17.378	100	50.95	6.918	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000003793	A2B1C2	5.495	100	110	3.236	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N	MC-0000003809	A3B1C2	30.903	100	110	9.333	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000003825	A4B1C2	12.303	100	74.62	4.786	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.NCc1cccc(c1)C(=N)N	MC-0000003841	A5B1C2	10.233	100	110	6.31	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccco1	MC-0000003857	A6B1C2	5.888	100	51.94	3.89	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000003873	A7B1C2	9.12	99.9	85.15	4.169	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003889	A8B1C2	10.715	100	77.5	4.365	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000003905	A9B1C2	7.079	100	110	14.791	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000003921	A10B1C2	7.762	100	70.48	3.09	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000003937	A11B1C2	9.772	52.3	51.49	5.129	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000003953	A12B1C2	4.786	62.5	24.49	3.467	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000003969	A13B1C2	14.454	100	110	6.457	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003985	A14B1C2	10.471	99.9	110	2.951	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N	MC-0000004049	A18B1C2	13.804	100	110	3.981	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1	MC-0000004065	A19B1C2	17.783	100	110	7.586	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CCCCC1	MC-0000004097	A21B1C2	8.913	100	110	10.471	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1	MC-0000004113	A22B1C2	2.455	100	56.17	2.455	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000003794	A2B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1	MC-0000003858	A6B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000003874	A7B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003890	A8B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000003922	A10B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000003954	A12B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003986	A14B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1	MC-0000004098	A21B2C2	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000003779	A1B3C2	69.183	65	52.39	18.197	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000003827	A4B3C2	85.114	100	99.91	3.236	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000003875	A7B3C2	100	99.9	110	9.55	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003891	A8B3C2	110	100	110	16.982	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000003923	A10B3C2	110	100	110	7.762	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000003939	A11B3C2	110	93.5	55.99	6.918	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000003955	A12B3C2	64.565	100	69.31	7.244	93.325
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000003971	A13B3C2	110	100	110	6.457	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003987	A14B3C2	64.565	100	110	4.169	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000004083	A20B3C2	83.176	100	110	1.905	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000004099	A21B3C2	110	100	110	21.38	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000004115	A22B3C2	110	100	110	5.37	110
CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1	MC-0000003780	A1B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1	MC-0000003812	A3B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.Clc1ccc(C=O)cc1	MC-0000003828	A4B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.Nc1ccncc1	MC-0000003844	A5B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1ccco1	MC-0000003860	A6B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003892	A8B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000003908	A9B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000003924	A10B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000003940	A11B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003988	A14B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.Nc1ccncc1	MC-0000004020	A16B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1ccncc1	MC-0000004052	A18B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.OCc1ccc(C=O)o1	MC-0000004068	A19B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=CC=Cc1ccccc1	MC-0000004084	A20B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000003797	A2B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccco1	MC-0000003861	A6B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000003877	A7B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003893	A8B5C2	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000003973	A13B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003989	A14B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=CC1CCCCC1	MC-0000004101	A21B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1	MC-0000004117	A22B5C2	110	100	110	110	110
CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1	MC-0000003782	A1B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1	MC-0000003814	A3B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.Nc1cccnc1	MC-0000003846	A5B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1ccco1	MC-0000003862	A6B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003894	A8B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000003910	A9B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000003926	A10B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000003942	A11B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003990	A14B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=CCCc1ccccc1	MC-0000004006	A15B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.Nc1cccnc1	MC-0000004022	A16B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1cccnc1	MC-0000004038	A17B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1cccnc1	MC-0000004054	A18B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.OCc1ccc(C=O)o1	MC-0000004070	A19B6C2	110	100	110	110	110
CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1	MC-0000003783	A1B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000003799	A2B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000003879	A7B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000003959	A12B7C2	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1	MC-0000003975	A13B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003991	A14B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=CCCc1ccccc1	MC-0000004007	A15B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.Nc1cccc(N)c1	MC-0000004023	A16B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1	MC-0000004119	A22B7C2	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000003784	A1B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000003816	A3B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1	MC-0000003832	A4B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1	MC-0000003864	A6B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003896	A8B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000003912	A9B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000003928	A10B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000003944	A11B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1	MC-0000004008	A15B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004024	A16B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004040	A17B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004056	A18B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1	MC-0000004088	A20B8C2	110	100	110	110	110
Cl.CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1	MC-0000003785	A1B9C2	110	100	110	52.481	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000003801	A2B9C2	110	100	110	51.286	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.NCc1cccc(N)c1	MC-0000003849	A5B9C2	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000003881	A7B9C2	110	100	110	83.176	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003897	A8B9C2	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000003913	A9B9C2	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000003929	A10B9C2	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000003961	A12B9C2	110	100	110	28.184	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=CCCc1ccccc1	MC-0000004009	A15B9C2	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.NCc1cccc(N)c1	MC-0000004025	A16B9C2	110	100	110	85.114	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1	MC-0000004057	A18B9C2	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000004073	A19B9C2	110	100	110	8.128	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1	MC-0000004121	A22B9C2	110	100	110	20.417	110
CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1	MC-0000003786	A1B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1	MC-0000003818	A3B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.NCc1ccncc1	MC-0000003850	A5B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000003882	A7B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003898	A8B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000003914	A9B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000003946	A11B10C2	110	100	99.91	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000003962	A12B10C2	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1	MC-0000003978	A13B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=CCCc1ccccc1	MC-0000004010	A15B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.NCc1ccncc1	MC-0000004026	A16B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1ccncc1	MC-0000004042	A17B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1ccncc1	MC-0000004058	A18B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.OCc1ccc(C=O)o1	MC-0000004074	A19B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=CC=Cc1ccccc1	MC-0000004090	A20B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=CC1CCCCC1	MC-0000004106	A21B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1	MC-0000004122	A22B10C2	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000003787	A1B11C2	95.499	39.9	44.65	21.878	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000003803	A2B11C2	110	100	110	34.674	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000003835	A4B11C2	93.325	100	59.95	20.893	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccco1	MC-0000003867	A6B11C2	110	100	52.93	27.542	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003899	A8B11C2	110	100	61.03	23.442	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000003915	A9B11C2	51.286	100	73.09	79.433	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000003931	A10B11C2	97.724	100	76.78	26.915	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000003947	A11B11C2	79.433	99.9	51.76	40.738	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000003979	A13B11C2	110	100	110	79.433	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003995	A14B11C2	33.884	71.4	59.14	20.893	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1	MC-0000004011	A15B11C2	64.565	100	73.9	46.774	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.NC(=N)c1ccc(N)cc1	MC-0000004027	A16B11C2	31.623	100	48.52	19.498	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1	MC-0000004059	A18B11C2	100	99.9	58.33	27.542	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000004075	A19B11C2	110	100	77.41	57.544	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000004091	A20B11C2	41.687	70.7	62.83	27.542	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CCCCC1	MC-0000004107	A21B11C2	64.565	100	73.81	51.286	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1	MC-0000004123	A22B11C2	110	100	50.32	24.547	110
CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1	MC-0000003788	A1B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1	MC-0000003820	A3B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.Clc1ccc(C=O)cc1	MC-0000003836	A4B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000003884	A7B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003900	A8B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000003948	A11B12C2	110	100	90.19	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000003964	A12B12C2	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1	MC-0000003980	A13B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=CCCc1ccccc1	MC-0000004012	A15B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.NCc1cccnc1	MC-0000004028	A16B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1cccnc1	MC-0000004044	A17B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1cccnc1	MC-0000004060	A18B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.OCc1ccc(C=O)o1	MC-0000004076	A19B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=CC=Cc1ccccc1	MC-0000004092	A20B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=CC1CCCCC1	MC-0000004108	A21B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1	MC-0000004124	A22B12C2	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000003789	A1B13C2	23.442	27.2	17.83	12.303	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000003805	A2B13C2	13.804	100	110	10.233	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1	MC-0000003821	A3B13C2	38.019	71.7	110	3.02	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000003837	A4B13C2	7.413	60	81.01	5.754	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.NC(=N)c1cccc(N)c1	MC-0000003853	A5B13C2	40.738	100	94.78	10.233	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccco1	MC-0000003869	A6B13C2	2.455	46.3	59.5	2.63	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000003885	A7B13C2	23.442	21	83.89	12.882	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003901	A8B13C2	10.965	45	86.32	5.129	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000003933	A10B13C2	23.988	53.1	110	15.136	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000003949	A11B13C2	19.953	27.6	56.71	14.791	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000003965	A12B13C2	7.943	18.9	49.33	4.571	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000003981	A13B13C2	33.884	92.8	110	28.84	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003997	A14B13C2	10	31.5	66.7	3.802	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCCc1ccccc1	MC-0000004013	A15B13C2	28.184	35.3	99.91	12.882	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.NC(=N)c1cccc(N)c1	MC-0000004029	A16B13C2	26.303	56.5	65.17	14.454	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1	MC-0000004061	A18B13C2	16.218	34	64.09	13.49	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000004077	A19B13C2	30.2	31.9	67.06	11.22	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000004093	A20B13C2	21.38	39.2	110	31.623	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CCCCC1	MC-0000004109	A21B13C2	7.244	53.8	99.91	10.965	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1	MC-0000004125	A22B13C2	9.333	66.7	40.33	19.953	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12	MC-0000003806	A2B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccco1	MC-0000003870	A6B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O	MC-0000003886	A7B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000003934	A10B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000003950	A11B14C2	110	82.1	72.1	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1	MC-0000003966	A12B14C2	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000003982	A13B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000003998	A14B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CCCCC1	MC-0000004110	A21B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1	MC-0000004126	A22B14C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1	MC-0000003823	A3B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.Clc1ccc(C=O)cc1	MC-0000003839	A4B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.Nc1ccccc1	MC-0000003855	A5B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1ccco1	MC-0000003871	A6B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000003903	A8B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2	MC-0000003919	A9B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000003935	A10B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000003951	A11B15C2	110	53.8	88.21	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=CCCc1ccccc1	MC-0000004015	A15B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CSCCC=O.Nc1ccccc1	MC-0000004031	A16B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1ccccc1	MC-0000004047	A17B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1ccccc1	MC-0000004063	A18B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.OCc1ccc(C=O)o1	MC-0000004079	A19B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=CC=Cc1ccccc1	MC-0000004095	A20B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000003808	A2B16C2	110	100	110	5.623	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000003824	A3B16C2	110	100	110	22.909	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000003840	A4B16C2	110	70.7	110	14.791	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000003856	A5B16C2	110	100	110	11.749	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000003888	A7B16C2	100	35	110	10.233	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000003920	A9B16C2	110	83.1	110	19.055	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000003936	A10B16C2	100	45.8	110	19.498	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004000	A14B16C2	87.096	71.5	110	9.333	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000004112	A21B16C2	110	100	110	30.903	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000004128	A22B16C2	110	100	110	5.129	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1	MC-0000004129	A23B1C2	1.862	69.8	52.12	2.754	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000004145	A24B1C2	26.915	100	110	7.413	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004177	A26B1C2	6.31	53.8	67.51	4.365	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O	MC-0000004193	A27B1C2	69.183	100	110	16.982	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N	MC-0000004209	A28B1C2	5.012	100	110	3.236	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000004225	A29B1C2	15.136	100	110	3.388	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccn1	MC-0000004273	A32B1C2	7.943	100	110	8.511	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N	MC-0000004305	A34B1C2	9.333	41.2	21.97	2.455	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccs1	MC-0000004321	A35B1C2	5.012	100	110	6.166	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC=O	MC-0000004353	A37B1C2	18.197	100	110	4.786	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O	MC-0000004401	A40B1C2	15.849	100	110	11.22	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.NCc1cccc(c1)C(=N)N	MC-0000004417	A41B1C2	19.498	100	110	3.388	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000004433	A42B1C2	9.12	59	79.12	4.677	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N	MC-0000004449	A43B1C2	1.047	65.7	110	1.995	110
O.Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.C=O	MC-0000004465	A44B1C2	16.982	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1	MC-0000004130	A23B2C2	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000004146	A24B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004178	A26B2C2	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000004226	A29B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1	MC-0000004258	A31B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1	MC-0000004274	A32B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O	MC-0000004306	A34B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1	MC-0000004322	A35B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC=O	MC-0000004354	A37B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O	MC-0000004418	A41B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000004434	A42B2C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O	MC-0000004450	A43B2C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.C=O	MC-0000004466	A44B2C2	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000004131	A23B3C2	50.119	100	41.59	3.311	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000004147	A24B3C2	110	100	110	20.417	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004179	A26B3C2	69.183	100	66.25	0.537	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N	MC-0000004211	A28B3C2	110	100	99.91	1.259	70.795
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000004227	A29B3C2	110	100	110	7.079	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000004259	A31B3C2	110	100	92.98	5.888	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000004275	A32B3C2	110	21.1	87.49	10	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000004291	A33B3C2	110	100	110	3.89	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N	MC-0000004307	A34B3C2	69.183	100	68.95	1.549	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000004323	A35B3C2	110	100	110	4.467	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000004355	A37B3C2	110	100	110	5.37	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000004403	A40B3C2	50.119	100	76.33	9.55	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.NCc1ccc(cc1)C(=N)N	MC-0000004419	A41B3C2	39.811	100	99.91	0.12	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N	MC-0000004451	A43B3C2	110	100	110	14.454	110
O.Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000004467	A44B3C2	91.201	100	76.24	110	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1	MC-0000004148	A24B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1	MC-0000004164	A25B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004180	A26B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.OCC(O)C(O)CC=O	MC-0000004196	A27B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1	MC-0000004212	A28B4C2	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1	MC-0000004228	A29B4C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1ncc[nH]1	MC-0000004244	A30B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000004292	A33B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1	MC-0000004308	A34B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1cccs1	MC-0000004324	A35B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=CC1CC1	MC-0000004372	A38B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004388	A39B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.Nc1ccncc1	MC-0000004420	A41B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000004436	A42B4C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000004133	A23B5C2	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000004149	A24B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004181	A26B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1	MC-0000004213	A28B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=CCc1ccccc1	MC-0000004261	A31B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccn1	MC-0000004277	A32B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1	MC-0000004309	A34B5C2	110	100	110	66.069	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccs1	MC-0000004325	A35B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.OCC=O	MC-0000004357	A37B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.NCc1ccc(N)cc1	MC-0000004421	A41B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000004437	A42B5C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.NCc1ccc(N)cc1	MC-0000004453	A43B5C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.C=O	MC-0000004469	A44B5C2	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1	MC-0000004150	A24B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1	MC-0000004166	A25B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004182	A26B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.OCC(O)C(O)CC=O	MC-0000004198	A27B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1	MC-0000004214	A28B6C2	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1	MC-0000004230	A29B6C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1ncc[nH]1	MC-0000004246	A30B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000004294	A33B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1	MC-0000004310	A34B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1cccs1	MC-0000004326	A35B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=CC1CC1	MC-0000004374	A38B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004390	A39B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1C=O	MC-0000004406	A40B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.Nc1cccnc1	MC-0000004422	A41B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000004438	A42B6C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000004135	A23B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1	MC-0000004167	A25B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004183	A26B7C2	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1	MC-0000004231	A29B7C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000004247	A30B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=CCc1ccccc1	MC-0000004263	A31B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccn1	MC-0000004279	A32B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000004295	A33B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccs1	MC-0000004327	A35B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.OCC=O	MC-0000004359	A37B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004391	A39B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000004439	A42B7C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.Nc1cccc(N)c1	MC-0000004455	A43B7C2	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004152	A24B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004168	A25B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004184	A26B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O	MC-0000004200	A27B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004216	A28B8C2	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004232	A29B8C2	110	100	110	110	110
O.O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1	MC-0000004248	A30B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000004296	A33B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004312	A34B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1	MC-0000004376	A38B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004392	A39B8C2	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004424	A41B8C2	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000004137	A23B9C2	110	100	110	3.981	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1	MC-0000004169	A25B9C2	110	100	110	24.547	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000004201	A27B9C2	110	100	110	110	110
O.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000004249	A30B9C2	110	100	110	8.913	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=CCc1ccccc1	MC-0000004265	A31B9C2	110	100	110	58.884	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccn1	MC-0000004281	A32B9C2	110	100	110	26.303	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000004297	A33B9C2	110	100	110	75.858	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccs1	MC-0000004329	A35B9C2	110	100	110	44.668	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.OCC=O	MC-0000004361	A37B9C2	110	100	110	19.055	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004393	A39B9C2	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000004409	A40B9C2	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000004441	A42B9C2	110	100	110	10.471	110
O.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.C=O	MC-0000004473	A44B9C2	110	100	110	36.308	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc[nH]1	MC-0000004138	A23B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1	MC-0000004170	A25B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.OCC(O)C(O)CC=O	MC-0000004202	A27B10C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1ncc[nH]1	MC-0000004250	A30B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=CCc1ccccc1	MC-0000004266	A31B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1ccccn1	MC-0000004282	A32B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000004298	A33B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.OCC=O	MC-0000004362	A37B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=CC1CC1	MC-0000004378	A38B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004394	A39B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1C=O	MC-0000004410	A40B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.NCc1ccncc1	MC-0000004426	A41B10C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.NCc1ccncc1	MC-0000004458	A43B10C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.C=O	MC-0000004474	A44B10C2	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000004139	A23B11C2	60.256	50	51.49	7.762	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000004155	A24B11C2	110	100	80.2	21.878	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1	MC-0000004171	A25B11C2	24.547	21.3	80.38	6.761	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004187	A26B11C2	54.954	100	66.52	12.589	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1	MC-0000004219	A28B11C2	110	100	56.98	16.982	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000004235	A29B11C2	93.325	95.6	71.2	21.38	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCc1ccccc1	MC-0000004267	A31B11C2	50.119	100	62.92	9.772	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1	MC-0000004315	A34B11C2	46.774	73.9	42.04	15.849	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CC1	MC-0000004379	A38B11C2	100	100	56.62	36.308	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004395	A39B11C2	75.858	64.8	60.22	18.621	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000004411	A40B11C2	110	100	110	30.2	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.NC(=N)c1ccc(N)cc1	MC-0000004427	A41B11C2	110	100	98.29	48.978	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000004443	A42B11C2	93.325	69.8	61.39	27.542	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1	MC-0000004459	A43B11C2	110	100	83.71	38.905	110
O.Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.C=O	MC-0000004475	A44B11C2	110	100	45.73	24.547	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1	MC-0000004172	A25B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.OCC(O)C(O)CC=O	MC-0000004204	A27B12C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1ncc[nH]1	MC-0000004252	A30B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=CCc1ccccc1	MC-0000004268	A31B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000004300	A33B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.OCC=O	MC-0000004364	A37B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=CC1CC1	MC-0000004380	A38B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004396	A39B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1C=O	MC-0000004412	A40B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.NCc1cccnc1	MC-0000004428	A41B12C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.NCc1cccnc1	MC-0000004460	A43B12C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.C=O	MC-0000004476	A44B12C2	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000004141	A23B13C2	16.982	22.5	11.98	2.291	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000004157	A24B13C2	85.114	100	110	9.12	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1	MC-0000004173	A25B13C2	10	21	99.91	1.585	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004189	A26B13C2	10.715	28.3	99.01	2.512	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000004205	A27B13C2	89.125	100	110	16.982	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000004237	A29B13C2	6.761	16.8	59.68	0.251	110
O.Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000004253	A30B13C2	37.154	65.9	91.72	10.233	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000004301	A33B13C2	25.119	46.9	96.13	5.248	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1	MC-0000004317	A34B13C2	37.154	15.1	41.41	6.761	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccs1	MC-0000004333	A35B13C2	16.596	100	110	10.715	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.OCC=O	MC-0000004365	A37B13C2	27.542	13	43.57	3.981	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CC1	MC-0000004381	A38B13C2	20.893	41.9	80.56	4.677	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000004413	A40B13C2	75.858	65.3	110	19.953	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.NC(=N)c1cccc(N)c1	MC-0000004429	A41B13C2	39.811	32.2	64.72	10.471	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1	MC-0000004142	A23B14C2	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000004158	A24B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004190	A26B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1	MC-0000004222	A28B14C2	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000004238	A29B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCc1ccccc1	MC-0000004270	A31B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccn1	MC-0000004286	A32B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1	MC-0000004318	A34B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccs1	MC-0000004334	A35B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC=O	MC-0000004366	A37B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1	MC-0000004446	A42B14C2	110	100	110	110	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1	MC-0000004462	A43B14C2	110	100	110	110	110
O.O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.C=O	MC-0000004478	A44B14C2	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1	MC-0000004159	A24B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1	MC-0000004175	A25B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004191	A26B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.OCC(O)C(O)CC=O	MC-0000004207	A27B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1	MC-0000004223	A28B15C2	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1	MC-0000004239	A29B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.Clc1nc2ccccc2cc1C=O	MC-0000004303	A33B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1	MC-0000004319	A34B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=CC1CC1	MC-0000004383	A38B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000004399	A39B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1C=O	MC-0000004415	A40B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.Nc1ccccc1	MC-0000004431	A41B15C2	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004224	A28B16C2	110	100	110	2.512	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004240	A29B16C2	110	46.5	110	15.136	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000004288	A32B16C2	110	17.7	41.5	26.915	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004320	A34B16C2	110	35.4	66.16	4.677	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000004336	A35B16C2	110	100	110	6.761	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004432	A41B16C2	93.325	51.1	83.44	3.89	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000004448	A42B16C2	110	39	110	1.66	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004464	A43B16C2	110	100	110	13.804	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O	MC-0000004480	A44B16C2	110	100	91.81	0.646	110
Cl.Cl.CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N	MC-0000004481	A1B1C3	110	100	110	20.417	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N	MC-0000004513	A3B1C3	110	100	110	53.703	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000004529	A4B1C3	110	100	110	53.703	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000004577	A7B1C3	110	100	110	44.668	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004593	A8B1C3	110	100	110	30.2	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000004609	A9B1C3	110	100	110	56.234	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000004641	A11B1C3	110	100	92.26	50.119	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N	MC-0000004673	A13B1C3	110	100	110	70.795	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1	MC-0000004705	A15B1C3	110	100	110	46.774	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N	MC-0000004737	A17B1C3	110	100	110	46.774	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1	MC-0000004769	A19B1C3	110	100	110	40.738	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1	MC-0000004785	A20B1C3	110	100	110	32.359	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1	MC-0000004817	A22B1C3	81.283	100	110	48.978	110
CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O	MC-0000004482	A1B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O	MC-0000004514	A3B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1	MC-0000004530	A4B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000004578	A7B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004594	A8B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000004610	A9B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000004642	A11B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000004658	A12B2C3	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O	MC-0000004674	A13B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1	MC-0000004706	A15B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.NC(CCCNC(=N)N)C(=O)O	MC-0000004722	A16B2C3	110	100	110	56.234	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O	MC-0000004738	A17B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O	MC-0000004754	A18B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1	MC-0000004770	A19B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1	MC-0000004786	A20B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1	MC-0000004802	A21B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1	MC-0000004818	A22B2C3	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N	MC-0000004483	A1B3C3	110	100	110	33.113	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000004531	A4B3C3	110	100	110	48.978	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.NCc1ccc(cc1)C(=N)N	MC-0000004547	A5B3C3	110	100	110	54.954	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000004579	A7B3C3	110	100	110	35.481	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004595	A8B3C3	110	100	110	30.2	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000004643	A11B3C3	110	100	74.71	54.954	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000004659	A12B3C3	110	100	110	32.359	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N	MC-0000004675	A13B3C3	110	100	110	75.858	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.NCc1ccc(cc1)C(=N)N	MC-0000004723	A16B3C3	110	100	110	56.234	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N	MC-0000004739	A17B3C3	110	100	110	38.019	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N	MC-0000004755	A18B3C3	110	100	110	57.544	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000004787	A20B3C3	110	100	110	38.905	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000004803	A21B3C3	110	100	110	47.863	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000004819	A22B3C3	110	100	110	53.703	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000004500	A2B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000004580	A7B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000004628	A10B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000004644	A11B4C3	110	100	99.91	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000004660	A12B4C3	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1	MC-0000004676	A13B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004692	A14B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1ccccc1	MC-0000004820	A22B4C3	110	100	110	110	110
CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1	MC-0000004485	A1B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1	MC-0000004517	A3B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000004533	A4B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000004581	A7B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004597	A8B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000004613	A9B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000004645	A11B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000004661	A12B5C3	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1	MC-0000004677	A13B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=CCCc1ccccc1	MC-0000004709	A15B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.NCc1ccc(N)cc1	MC-0000004725	A16B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1	MC-0000004741	A17B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1	MC-0000004757	A18B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000004773	A19B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000004789	A20B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=CC1CCCCC1	MC-0000004805	A21B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1ccccc1	MC-0000004821	A22B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000004502	A2B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1ccco1	MC-0000004566	A6B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000004582	A7B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000004630	A10B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000004662	A12B6C3	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1	MC-0000004678	A13B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004694	A14B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=CC1CCCCC1	MC-0000004806	A21B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1ccccc1	MC-0000004822	A22B6C3	110	100	110	110	110
CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1	MC-0000004487	A1B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1	MC-0000004519	A3B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000004535	A4B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.Nc1cccc(N)c1	MC-0000004551	A5B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1ccco1	MC-0000004567	A6B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004599	A8B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000004615	A9B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000004631	A10B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000004647	A11B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=CCCc1ccccc1	MC-0000004711	A15B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.Nc1cccc(N)c1	MC-0000004727	A16B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1	MC-0000004743	A17B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1	MC-0000004759	A18B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000004775	A19B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000004791	A20B7C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000004504	A2B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1	MC-0000004568	A6B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000004584	A7B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004600	A8B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000004632	A10B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000004664	A12B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004696	A14B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1	MC-0000004808	A21B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1	MC-0000004824	A22B8C3	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000004505	A2B9C3	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1	MC-0000004521	A3B9C3	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.NCc1cccc(N)c1	MC-0000004553	A5B9C3	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004601	A8B9C3	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000004617	A9B9C3	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000004633	A10B9C3	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000004649	A11B9C3	110	100	110	74.131	110
Cl.CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1	MC-0000004681	A13B9C3	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004697	A14B9C3	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.NCc1cccc(N)c1	MC-0000004729	A16B9C3	110	100	110	64.565	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1	MC-0000004761	A18B9C3	110	100	110	83.176	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000004777	A19B9C3	110	100	110	56.234	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000004793	A20B9C3	110	100	110	42.658	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=CC1CCCCC1	MC-0000004809	A21B9C3	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1ccccc1	MC-0000004825	A22B9C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000004506	A2B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1	MC-0000004522	A3B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.Clc1ccc(C=O)cc1	MC-0000004538	A4B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.NCc1ccncc1	MC-0000004554	A5B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1ccco1	MC-0000004570	A6B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004602	A8B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000004618	A9B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000004634	A10B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000004650	A11B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000004666	A12B10C3	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1	MC-0000004682	A13B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004698	A14B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1	MC-0000004762	A18B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.OCc1ccc(C=O)o1	MC-0000004778	A19B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=CC=Cc1ccccc1	MC-0000004794	A20B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1ccccc1	MC-0000004826	A22B10C3	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1	MC-0000004491	A1B11C3	83.176	87.3	51.85	14.125	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1	MC-0000004523	A3B11C3	110	100	99.91	38.019	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000004539	A4B11C3	110	100	59.5	23.442	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.NC(=N)c1ccc(N)cc1	MC-0000004555	A5B11C3	110	100	59.68	28.84	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1ccco1	MC-0000004571	A6B11C3	95.499	100	52.48	15.849	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000004587	A7B11C3	110	100	97.12	48.978	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004603	A8B11C3	110	100	62.92	24.547	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000004635	A10B11C3	110	100	110	26.303	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000004667	A12B11C3	110	100	57.16	36.308	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004699	A14B11C3	47.863	100	62.29	19.953	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1	MC-0000004715	A15B11C3	110	100	99.91	51.286	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.NC(=N)c1ccc(N)cc1	MC-0000004731	A16B11C3	110	100	79.48	42.658	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1	MC-0000004747	A17B11C3	110	100	89.65	43.652	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1	MC-0000004763	A18B11C3	110	100	54.82	14.791	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000004779	A19B11C3	110	100	58.15	48.978	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=CC1CCCCC1	MC-0000004811	A21B11C3	110	100	99.91	45.709	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1	MC-0000004827	A22B11C3	110	100	63.19	27.542	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000004508	A2B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.NCc1cccnc1	MC-0000004556	A5B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1ccco1	MC-0000004572	A6B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004604	A8B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000004668	A12B12C3	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1	MC-0000004684	A13B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004700	A14B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1	MC-0000004764	A18B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.OCc1ccc(C=O)o1	MC-0000004780	A19B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=CC=Cc1ccccc1	MC-0000004796	A20B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=CC1CCCCC1	MC-0000004812	A21B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1ccccc1	MC-0000004828	A22B12C3	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1	MC-0000004493	A1B13C3	51.286	100	99.91	12.303	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000004509	A2B13C3	60.256	100	110	60.256	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1ccco1	MC-0000004573	A6B13C3	41.687	100	46.54	27.542	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000004589	A7B13C3	45.709	100	90.19	28.84	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000004669	A12B13C3	10	85.3	88.93	14.791	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1	MC-0000004685	A13B13C3	93.325	100	110	66.069	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004701	A14B13C3	24.547	100	110	32.359	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.NC(=N)c1cccc(N)c1	MC-0000004733	A16B13C3	27.542	100	81.46	18.197	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1	MC-0000004749	A17B13C3	85.114	100	110	27.542	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=CC1CCCCC1	MC-0000004813	A21B13C3	67.608	100	110	74.131	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1ccccc1	MC-0000004829	A22B13C3	38.019	100	98.2	32.359	110
O.CO.CCCCCC=O.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1	MC-0000004494	A1B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1	MC-0000004542	A4B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.NC(=O)c1ccc(N)nc1	MC-0000004558	A5B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O	MC-0000004590	A7B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000004606	A8B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2	MC-0000004622	A9B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000004654	A11B14C3	110	100	95.23	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1	MC-0000004670	A12B14C3	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1	MC-0000004686	A13B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1	MC-0000004718	A15B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.NC(=O)c1ccc(N)nc1	MC-0000004734	A16B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1	MC-0000004766	A18B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1	MC-0000004782	A19B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1	MC-0000004798	A20B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=CC1CCCCC1	MC-0000004814	A21B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1	MC-0000004830	A22B14C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1c[nH]c2ccccc12	MC-0000004511	A2B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1ccco1	MC-0000004575	A6B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1coc2ccccc2c1=O	MC-0000004591	A7B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000004639	A10B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1ccc2ccccc2c1	MC-0000004671	A12B15C3	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1	MC-0000004687	A13B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000004703	A14B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=CC1CCCCC1	MC-0000004815	A21B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1ccccc1	MC-0000004831	A22B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004528	A3B16C3	110	100	110	46.774	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000004544	A4B16C3	110	100	110	64.565	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004560	A5B16C3	110	100	110	52.481	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000004592	A7B16C3	110	100	110	75.858	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000004624	A9B16C3	110	100	110	52.481	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000004672	A12B16C3	110	100	110	51.286	110
CO.CCCOc1ccc(C=O)cc1.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004688	A13B16C3	110	100	110	63.096	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000004720	A15B16C3	110	100	110	67.608	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004736	A16B16C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004752	A17B16C3	110	100	110	56.234	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004768	A18B16C3	110	100	110	50.119	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000004784	A19B16C3	110	100	110	39.811	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000004800	A20B16C3	110	100	110	51.286	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000004816	A21B16C3	110	100	110	63.096	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000004832	A22B16C3	110	100	110	50.119	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N	MC-0000004865	A25B1C3	110	100	110	53.703	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004881	A26B1C3	53.703	100	110	30.903	110
O.Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1	MC-0000004945	A30B1C3	75.858	100	110	26.915	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=CCc1ccccc1	MC-0000004961	A31B1C3	110	100	110	30.903	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1ccccn1	MC-0000004977	A32B1C3	110	100	110	33.113	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000004993	A33B1C3	110	100	110	50.119	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N	MC-0000005009	A34B1C3	110	100	85.15	18.197	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1cccs1	MC-0000005025	A35B1C3	43.652	100	110	47.863	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=CC1CC1	MC-0000005073	A38B1C3	110	100	110	44.668	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005089	A39B1C3	110	100	110	52.481	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O	MC-0000005105	A40B1C3	110	100	110	44.668	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.NCc1cccc(c1)C(=N)N	MC-0000005121	A41B1C3	110	100	110	43.652	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1	MC-0000004834	A23B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O	MC-0000004866	A25B2C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1	MC-0000004946	A30B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1	MC-0000004962	A31B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1	MC-0000004978	A32B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000004994	A33B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O	MC-0000005010	A34B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.OCC=O	MC-0000005058	A37B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=CC1CC1	MC-0000005074	A38B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005090	A39B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O	MC-0000005106	A40B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O	MC-0000005122	A41B2C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O	MC-0000005154	A43B2C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.C=O	MC-0000005170	A44B2C3	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000004835	A23B3C3	110	100	110	38.019	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N	MC-0000004867	A25B3C3	110	100	110	57.544	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000004899	A27B3C3	110	100	110	41.687	110
O.Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000004947	A30B3C3	110	100	110	45.709	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000004963	A31B3C3	110	100	110	43.652	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000004979	A32B3C3	110	100	110	66.069	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N	MC-0000005011	A34B3C3	110	100	110	25.119	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000005059	A37B3C3	110	100	110	53.703	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000005075	A38B3C3	110	100	110	42.658	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005091	A39B3C3	110	100	110	87.096	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000005107	A40B3C3	110	100	110	57.544	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.NCc1ccc(cc1)C(=N)N	MC-0000005123	A41B3C3	110	100	110	48.978	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N	MC-0000005155	A43B3C3	110	100	110	60.256	110
O.Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.C=O	MC-0000005171	A44B3C3	110	100	110	64.565	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1ccc[nH]1	MC-0000004836	A23B4C3	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1	MC-0000004852	A24B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1	MC-0000004868	A25B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004884	A26B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1	MC-0000004916	A28B4C3	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1	MC-0000004932	A29B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=CCc1ccccc1	MC-0000004964	A31B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1cccs1	MC-0000005028	A35B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.OCC=O	MC-0000005060	A37B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000005140	A42B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.Nc1ccncc1	MC-0000005156	A43B4C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.C=O	MC-0000005172	A44B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000004837	A23B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1	MC-0000004869	A25B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000004901	A27B5C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000004949	A30B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=CCc1ccccc1	MC-0000004965	A31B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1ccccn1	MC-0000004981	A32B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000004997	A33B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.OCC=O	MC-0000005061	A37B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005093	A39B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000005109	A40B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1	MC-0000005157	A43B5C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.C=O	MC-0000005173	A44B5C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1ccc[nH]1	MC-0000004838	A23B6C3	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1	MC-0000004854	A24B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1	MC-0000004870	A25B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004886	A26B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1	MC-0000004918	A28B6C3	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1	MC-0000004934	A29B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=CCc1ccccc1	MC-0000004966	A31B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1ccccn1	MC-0000004982	A32B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1cccs1	MC-0000005030	A35B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.OCC=O	MC-0000005062	A37B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000005142	A42B6C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.Nc1cccnc1	MC-0000005158	A43B6C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.C=O	MC-0000005174	A44B6C3	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1	MC-0000004855	A24B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1	MC-0000004871	A25B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004887	A26B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000004903	A27B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1	MC-0000004919	A28B7C3	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1	MC-0000004935	A29B7C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000004951	A30B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000004999	A33B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1	MC-0000005015	A34B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=CC1CC1	MC-0000005079	A38B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005095	A39B7C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000005111	A40B7C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1	MC-0000004840	A23B8C3	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004856	A24B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004888	A26B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004920	A28B8C3	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000004936	A29B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1	MC-0000004968	A31B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1	MC-0000004984	A32B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1	MC-0000005032	A35B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O	MC-0000005064	A37B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000005128	A41B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000005144	A42B8C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000005160	A43B8C3	110	100	110	110	110
O.O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O	MC-0000005176	A44B8C3	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004889	A26B9C3	110	100	110	87.096	110
Cl.CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1	MC-0000004937	A29B9C3	110	100	110	33.113	110
O.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000004953	A30B9C3	110	100	110	81.283	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1	MC-0000005017	A34B9C3	110	100	110	44.668	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1cccs1	MC-0000005033	A35B9C3	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=CC1CC1	MC-0000005081	A38B9C3	110	100	110	110	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.NCc1cccc(N)c1	MC-0000005129	A41B9C3	110	100	110	48.978	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000005145	A42B9C3	110	100	110	83.176	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.NCc1cccc(N)c1	MC-0000005161	A43B9C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1ccc[nH]1	MC-0000004842	A23B10C3	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1	MC-0000004858	A24B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004890	A26B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1	MC-0000004922	A28B10C3	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1	MC-0000004938	A29B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1ccccn1	MC-0000004986	A32B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1	MC-0000005018	A34B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1cccs1	MC-0000005034	A35B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.OCC=O	MC-0000005066	A37B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=CC1CC1	MC-0000005082	A38B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1ccccc1C=O	MC-0000005114	A40B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.NCc1ccncc1	MC-0000005130	A41B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000005146	A42B10C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.NCc1ccncc1	MC-0000005162	A43B10C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.C=O	MC-0000005178	A44B10C3	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000004843	A23B11C3	3.715	100	58.06	21.38	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1	MC-0000004859	A24B11C3	110	100	110	51.286	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1	MC-0000004875	A25B11C3	75.858	28.8	99.91	22.387	110
O.Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000004955	A30B11C3	110	100	64.09	21.878	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=CCc1ccccc1	MC-0000004971	A31B11C3	110	100	74.89	40.738	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1ccccn1	MC-0000004987	A32B11C3	110	100	92.98	39.811	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000005003	A33B11C3	110	100	78.76	41.687	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.OCC=O	MC-0000005067	A37B11C3	83.176	100	64.36	30.903	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005099	A39B11C3	110	100	110	45.709	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000005115	A40B11C3	110	100	110	50.119	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1	MC-0000005163	A43B11C3	110	100	88.66	39.811	110
O.Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.C=O	MC-0000005179	A44B11C3	97.724	88.5	26.02	21.878	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1ccc[nH]1	MC-0000004844	A23B12C3	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1	MC-0000004860	A24B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004892	A26B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.OCC(O)C(O)CC=O	MC-0000004908	A27B12C3	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1	MC-0000004940	A29B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1	MC-0000005020	A34B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1cccs1	MC-0000005036	A35B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.OCC=O	MC-0000005068	A37B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=CC1CC1	MC-0000005084	A38B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1ccccc1C=O	MC-0000005116	A40B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.NCc1cccnc1	MC-0000005132	A41B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000005148	A42B12C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.NCc1cccnc1	MC-0000005164	A43B12C3	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000004845	A23B13C3	33.884	100	99.91	14.791	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1	MC-0000004877	A25B13C3	60.256	66.5	110	69.183	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004893	A26B13C3	23.988	66.5	110	22.909	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000004909	A27B13C3	110	100	110	33.884	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=CCc1ccccc1	MC-0000004973	A31B13C3	20.417	65.7	92.35	30.2	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1ccccn1	MC-0000004989	A32B13C3	57.544	57.6	68.59	26.303	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000005005	A33B13C3	34.674	40.8	110	39.811	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1	MC-0000005021	A34B13C3	43.652	59.2	74.17	23.988	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1cccs1	MC-0000005037	A35B13C3	95.499	100	110	52.481	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.OCC=O	MC-0000005069	A37B13C3	60.256	36.6	50.32	26.303	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=CC1CC1	MC-0000005085	A38B13C3	110	100	110	33.884	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005101	A39B13C3	23.988	22	77.32	25.704	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.NC(=N)c1cccc(N)c1	MC-0000005133	A41B13C3	110	100	110	28.184	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000005149	A42B13C3	23.988	100	92.08	25.119	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1	MC-0000005165	A43B13C3	39.811	100	110	39.811	110
O.Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.C=O	MC-0000005181	A44B13C3	42.658	56.2	47.98	15.136	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1	MC-0000004846	A23B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1	MC-0000004878	A25B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O	MC-0000004910	A27B14C3	110	100	110	110	110
O.O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1	MC-0000004958	A30B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=CCc1ccccc1	MC-0000004974	A31B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1ccccn1	MC-0000004990	A32B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O	MC-0000005006	A33B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1	MC-0000005022	A34B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.OCC=O	MC-0000005070	A37B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=CC1CC1	MC-0000005086	A38B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005102	A39B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O	MC-0000005118	A40B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.NC(=O)c1ccc(N)nc1	MC-0000005134	A41B14C3	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1	MC-0000005166	A43B14C3	110	100	110	110	110
O.O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.C=O	MC-0000005182	A44B14C3	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1	MC-0000004863	A24B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004895	A26B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1	MC-0000004927	A28B15C3	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1	MC-0000004943	A29B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=CCc1ccccc1	MC-0000004975	A31B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1	MC-0000005023	A34B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1cccs1	MC-0000005039	A35B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.OCC=O	MC-0000005071	A37B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.CC(=O)C=O.Nc1ccccc1	MC-0000005135	A41B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1ccc2OCOc2c1	MC-0000005151	A42B15C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.Nc1ccccc1	MC-0000005167	A43B15C3	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004864	A24B16C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004880	A25B16C3	110	100	110	70.795	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000004896	A26B16C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000004912	A27B16C3	110	100	110	36.308	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000004928	A28B16C3	110	100	110	100	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000004960	A30B16C3	110	100	110	100	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000005008	A33B16C3	110	100	110	63.096	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000005072	A37B16C3	110	100	110	75.858	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000005104	A39B16C3	110	100	110	70.795	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000005120	A40B16C3	110	100	110	64.565	110
CO.CCOP(=O)(C[N+]#[C-])OCC.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000005168	A43B16C3	110	100	110	74.131	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O	MC-0000005184	A44B16C3	110	100	110	66.069	110
Cl.Cl.CO.CCCCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005185	A1B1C4	110	100	110	24.547	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005217	A3B1C4	110	100	110	26.303	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005233	A4B1C4	110	100	110	34.674	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005281	A7B1C4	110	100	110	43.652	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005329	A10B1C4	77.625	100	110	31.623	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005345	A11B1C4	110	100	82.81	33.113	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005361	A12B1C4	69.183	100	110	27.542	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005377	A13B1C4	110	100	110	57.544	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005409	A15B1C4	110	100	110	51.286	110
Cl.Cl.CO.CSCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005425	A16B1C4	110	100	110	43.652	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005441	A17B1C4	110	100	110	32.359	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005457	A18B1C4	110	100	110	33.113	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005489	A20B1C4	110	100	110	23.442	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005505	A21B1C4	110	100	110	47.863	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005521	A22B1C4	110	100	110	46.774	110
CO.CCCCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005186	A1B2C4	110	33.4	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005202	A2B2C4	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005218	A3B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005234	A4B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005282	A7B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005314	A9B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005346	A11B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005362	A12B2C4	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005378	A13B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005410	A15B2C4	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005442	A17B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005474	A19B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005490	A20B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005506	A21B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005522	A22B2C4	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005187	A1B3C4	110	100	110	31.623	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005219	A3B3C4	110	100	110	41.687	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005235	A4B3C4	110	100	110	41.687	110
Cl.Cl.CO.CC(C)CC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005251	A5B3C4	110	100	110	51.286	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005283	A7B3C4	110	100	110	47.863	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005347	A11B3C4	110	100	73.9	35.481	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005363	A12B3C4	110	100	110	30.903	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005379	A13B3C4	110	100	110	67.608	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005411	A15B3C4	110	100	110	52.481	110
Cl.Cl.CO.CSCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005427	A16B3C4	110	100	110	33.113	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005443	A17B3C4	110	100	110	34.674	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005459	A18B3C4	110	100	110	72.444	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005475	A19B3C4	110	100	110	41.687	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005491	A20B3C4	110	100	110	33.113	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005523	A22B3C4	110	100	110	47.863	110
CO.Nc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005204	A2B4C4	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005268	A6B4C4	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005284	A7B4C4	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005332	A10B4C4	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005364	A12B4C4	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005380	A13B4C4	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005396	A14B4C4	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005508	A21B4C4	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005524	A22B4C4	110	100	110	110	110
CO.CCCCCC=O.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005189	A1B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005205	A2B5C4	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005221	A3B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005237	A4B5C4	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005253	A5B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005285	A7B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005317	A9B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005349	A11B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005365	A12B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005413	A15B5C4	110	100	110	110	110
CO.CSCCC=O.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005429	A16B5C4	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005445	A17B5C4	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005461	A18B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005477	A19B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005509	A21B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005525	A22B5C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005206	A2B6C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005270	A6B6C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005286	A7B6C4	110	100	110	110	110
CO.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005302	A8B6C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005334	A10B6C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005366	A12B6C4	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005382	A13B6C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005398	A14B6C4	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005510	A21B6C4	110	100	110	110	110
CO.CCCCCC=O.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005191	A1B7C4	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005223	A3B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005239	A4B7C4	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005255	A5B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005271	A6B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005287	A7B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005319	A9B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005335	A10B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005351	A11B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005415	A15B7C4	110	100	110	110	110
CO.CSCCC=O.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005431	A16B7C4	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005447	A17B7C4	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005463	A18B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005479	A19B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005495	A20B7C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005208	A2B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005224	A3B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005240	A4B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005256	A5B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005272	A6B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005304	A8B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005320	A9B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005336	A10B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005352	A11B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005368	A12B8C4	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005384	A13B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005480	A19B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005512	A21B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005528	A22B8C4	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005209	A2B9C4	110	100	110	110	110
Cl.CO.CC(C)CC=O.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005257	A5B9C4	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005273	A6B9C4	110	100	110	32.359	110
Cl.CO.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005305	A8B9C4	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005337	A10B9C4	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005353	A11B9C4	110	100	110	85.114	110
Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005385	A13B9C4	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005401	A14B9C4	110	100	110	110	110
Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005449	A17B9C4	110	100	110	77.625	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005465	A18B9C4	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005481	A19B9C4	110	100	110	47.863	110
Cl.CO.NCc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005497	A20B9C4	110	100	110	47.863	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005529	A22B9C4	110	100	110	110	110
CO.CCCCCC=O.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005194	A1B10C4	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005210	A2B10C4	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005226	A3B10C4	110	100	110	110	110
CO.NCc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005242	A4B10C4	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005258	A5B10C4	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005274	A6B10C4	110	100	110	110	110
CO.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005306	A8B10C4	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005322	A9B10C4	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005338	A10B10C4	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005354	A11B10C4	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005402	A14B10C4	110	100	110	110	110
CO.NCc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005418	A15B10C4	110	100	110	110	110
CO.CSCCC=O.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005434	A16B10C4	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005450	A17B10C4	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005466	A18B10C4	110	100	110	110	110
CO.NCc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005482	A19B10C4	110	100	110	110	110
CO.NCc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005498	A20B10C4	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005227	A3B11C4	110	100	110	66.069	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005243	A4B11C4	110	100	67.87	33.113	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005275	A6B11C4	58.884	100	86.59	33.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005291	A7B11C4	110	100	80.47	39.811	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005307	A8B11C4	110	100	94.24	39.811	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005323	A9B11C4	50.119	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005355	A11B11C4	110	100	59.41	41.687	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005371	A12B11C4	74.131	100	60.58	28.184	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005419	A15B11C4	100	65.2	110	87.096	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005435	A16B11C4	63.096	100	110	43.652	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005451	A17B11C4	110	100	99.91	44.668	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005467	A18B11C4	110	100	110	52.481	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005499	A20B11C4	50.119	83	110	58.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005515	A21B11C4	110	100	99.91	52.481	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005531	A22B11C4	110	100	110	33.884	110
CO.CCCCCC=O.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005196	A1B12C4	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005212	A2B12C4	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005228	A3B12C4	110	100	110	110	110
CO.NCc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005244	A4B12C4	110	100	110	110	110
CO.CC(C)CC=O.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005260	A5B12C4	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005324	A9B12C4	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005340	A10B12C4	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005356	A11B12C4	110	100	99.91	110	110
CO.NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005404	A14B12C4	110	100	110	110	110
CO.NCc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005420	A15B12C4	110	100	110	110	110
CO.CSCCC=O.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005436	A16B12C4	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005452	A17B12C4	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005468	A18B12C4	110	100	110	110	110
CO.NCc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005484	A19B12C4	110	100	110	110	110
CO.NCc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005500	A20B12C4	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005197	A1B13C4	32.359	100	110	28.84	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005213	A2B13C4	38.905	100	110	43.652	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005277	A6B13C4	10.471	75.9	85.69	16.596	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005293	A7B13C4	37.154	89.7	110	38.019	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005389	A13B13C4	43.652	100	110	83.176	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005437	A16B13C4	46.774	100	110	28.184	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005517	A21B13C4	27.542	100	110	34.674	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005533	A22B13C4	26.303	92.1	110	33.884	110
O.CO.CCCCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005198	A1B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005214	A2B14C4	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005230	A3B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005246	A4B14C4	110	100	110	110	110
O.CO.CC(C)CC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005262	A5B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005294	A7B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005326	A9B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005374	A12B14C4	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005390	A13B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005422	A15B14C4	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005454	A17B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005486	A19B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005518	A21B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005534	A22B14C4	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C1CCCCC1	MC-0000005215	A2B15C4	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005231	A3B15C4	110	100	110	110	110
CO.Nc1ccccc1.Clc1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005247	A4B15C4	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005263	A5B15C4	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccco1.[C-]#[N+]C1CCCCC1	MC-0000005279	A6B15C4	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005295	A7B15C4	110	100	110	110	110
CO.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C1CCCCC1	MC-0000005311	A8B15C4	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005327	A9B15C4	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C1CCCCC1	MC-0000005343	A10B15C4	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C1CCCCC1	MC-0000005359	A11B15C4	110	100	99.91	110	110
CO.Nc1ccccc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005375	A12B15C4	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005407	A14B15C4	110	100	110	110	110
CO.Nc1ccccc1.OCc1ccc(C=O)o1.[C-]#[N+]C1CCCCC1	MC-0000005487	A19B15C4	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005519	A21B15C4	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005535	A22B15C4	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005200	A1B16C4	110	100	110	38.019	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C1CCCCC1	MC-0000005296	A7B16C4	110	100	110	51.286	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]C1CCCCC1	MC-0000005376	A12B16C4	110	100	110	47.863	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005392	A13B16C4	110	100	110	52.481	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C1CCCCC1	MC-0000005408	A14B16C4	110	100	110	67.608	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005424	A15B16C4	110	100	110	85.114	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005440	A16B16C4	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005456	A17B16C4	110	100	110	77.625	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005472	A18B16C4	110	100	110	67.608	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005504	A20B16C4	110	100	110	64.565	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]C1CCCCC1	MC-0000005520	A21B16C4	110	100	110	91.201	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005537	A23B1C4	110	100	110	85.114	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005569	A25B1C4	110	100	110	64.565	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005601	A27B1C4	110	100	110	46.774	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005649	A30B1C4	110	100	110	19.953	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005665	A31B1C4	110	100	110	53.703	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005761	A37B1C4	110	100	110	33.884	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005777	A38B1C4	110	100	110	28.184	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005793	A39B1C4	110	100	110	64.565	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005857	A43B1C4	110	100	110	60.256	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=O.[C-]#[N+]C1CCCCC1	MC-0000005873	A44B1C4	110	100	110	47.863	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005538	A23B2C4	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005570	A25B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005602	A27B2C4	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005650	A30B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005666	A31B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005682	A32B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005698	A33B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005794	A39B2C4	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005810	A40B2C4	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005858	A43B2C4	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=O.[C-]#[N+]C1CCCCC1	MC-0000005874	A44B2C4	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005539	A23B3C4	110	100	110	60.256	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005571	A25B3C4	110	100	110	85.114	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005651	A30B3C4	110	100	110	28.84	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005667	A31B3C4	110	100	110	58.884	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005683	A32B3C4	110	100	110	30.903	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005699	A33B3C4	110	100	110	54.954	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005763	A37B3C4	110	100	99.91	31.623	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005795	A39B3C4	110	100	110	70.795	110
Cl.Cl.CO.CC(=O)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005827	A41B3C4	110	100	110	61.66	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005859	A43B3C4	110	100	110	69.183	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]C1CCCCC1	MC-0000005875	A44B3C4	110	100	110	63.096	110
CO.Nc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005540	A23B4C4	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005556	A24B4C4	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005588	A26B4C4	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005620	A28B4C4	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005636	A29B4C4	110	100	110	110	110
CO.Nc1ccncc1.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005668	A31B4C4	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005684	A32B4C4	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005716	A34B4C4	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005732	A35B4C4	110	100	110	110	110
CO.Nc1ccncc1.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005764	A37B4C4	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005828	A41B4C4	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005844	A42B4C4	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005860	A43B4C4	110	100	110	110	110
O.CO.Nc1ccncc1.C=O.[C-]#[N+]C1CCCCC1	MC-0000005876	A44B4C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005541	A23B5C4	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005573	A25B5C4	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005653	A30B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005669	A31B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005685	A32B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005701	A33B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005765	A37B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005781	A38B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005797	A39B5C4	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005813	A40B5C4	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.C=O.[C-]#[N+]C1CCCCC1	MC-0000005877	A44B5C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005542	A23B6C4	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005558	A24B6C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005590	A26B6C4	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005638	A29B6C4	110	100	110	110	110
CO.Nc1cccnc1.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005670	A31B6C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005686	A32B6C4	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005718	A34B6C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005734	A35B6C4	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005846	A42B6C4	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005862	A43B6C4	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005559	A24B7C4	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005575	A25B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005607	A27B7C4	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005623	A28B7C4	110	100	110	110	110
O.CO.Nc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005655	A30B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005671	A31B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005703	A33B7C4	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005719	A34B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005799	A39B7C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005815	A40B7C4	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005831	A41B7C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005544	A23B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005592	A26B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005624	A28B8C4	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005640	A29B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005672	A31B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005688	A32B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005720	A34B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005736	A35B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005768	A37B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005848	A42B8C4	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C1CCCCC1	MC-0000005864	A43B8C4	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O.[C-]#[N+]C1CCCCC1	MC-0000005880	A44B8C4	110	100	110	110	110
Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005561	A24B9C4	110	100	110	85.114	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005593	A26B9C4	110	100	110	70.795	110
Cl.CO.NCc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005609	A27B9C4	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005625	A28B9C4	110	100	110	50.119	110
Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005641	A29B9C4	110	100	110	83.176	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005721	A34B9C4	110	100	110	28.84	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005737	A35B9C4	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005785	A38B9C4	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005817	A40B9C4	110	100	110	79.433	110
Cl.CO.CC(=O)C=O.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005833	A41B9C4	110	100	110	32.359	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005849	A42B9C4	110	100	110	110	110
Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005865	A43B9C4	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005562	A24B10C4	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005594	A26B10C4	110	100	110	110	110
CO.NCc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005610	A27B10C4	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005626	A28B10C4	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005642	A29B10C4	110	100	110	110	110
O.CO.NCc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005658	A30B10C4	110	100	110	110	110
CO.NCc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005706	A33B10C4	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005722	A34B10C4	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005738	A35B10C4	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005786	A38B10C4	110	100	110	110	110
CO.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005802	A39B10C4	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005818	A40B10C4	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccncc1.[C-]#[N+]C1CCCCC1	MC-0000005834	A41B10C4	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005850	A42B10C4	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005547	A23B11C4	64.565	100	56.62	32.359	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005579	A25B11C4	69.183	53.9	110	53.703	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005595	A26B11C4	77.625	100	76.15	33.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005611	A27B11C4	110	100	65.53	34.674	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005643	A29B11C4	72.444	100	74.35	44.668	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005659	A30B11C4	110	100	73.81	31.623	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005691	A32B11C4	110	100	73.99	33.113	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005707	A33B11C4	110	100	95.14	42.658	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005723	A34B11C4	57.544	100	45.28	17.378	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005739	A35B11C4	110	100	78.22	34.674	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005771	A37B11C4	56.234	100	45.01	27.542	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005787	A38B11C4	110	100	110	63.096	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005803	A39B11C4	110	100	110	43.652	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]C1CCCCC1	MC-0000005835	A41B11C4	79.433	100	44.56	33.113	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=O.[C-]#[N+]C1CCCCC1	MC-0000005883	A44B11C4	66.069	100	24.4	15.136	110
CO.CCOC(=O)C1CC1C=O.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005564	A24B12C4	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005596	A26B12C4	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005628	A28B12C4	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005644	A29B12C4	110	100	110	110	110
O.CO.NCc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005660	A30B12C4	110	100	110	110	110
CO.NCc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005708	A33B12C4	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005724	A34B12C4	110	100	110	46.774	110
CO.NCc1cccnc1.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005740	A35B12C4	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005788	A38B12C4	110	100	110	110	110
CO.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005804	A39B12C4	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005820	A40B12C4	110	100	110	110	110
CO.CC(=O)C=O.NCc1cccnc1.[C-]#[N+]C1CCCCC1	MC-0000005836	A41B12C4	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005852	A42B12C4	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005581	A25B13C4	20.417	100	110	52.481	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C1CCCCC1	MC-0000005597	A26B13C4	37.154	100	110	24.547	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005613	A27B13C4	110	100	110	33.884	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005645	A29B13C4	39.811	90.6	110	20.417	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005661	A30B13C4	56.234	100	110	19.055	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005677	A31B13C4	37.154	100	110	56.234	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005693	A32B13C4	36.308	100	110	15.849	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]C1CCCCC1	MC-0000005725	A34B13C4	19.953	75.8	86.5	16.218	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005773	A37B13C4	36.308	72.4	99.91	16.218	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005805	A39B13C4	2.344	34.5	110	16.982	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005821	A40B13C4	0.708	92	110	9.333	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005853	A42B13C4	21.878	100	110	20.417	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=O.[C-]#[N+]C1CCCCC1	MC-0000005885	A44B13C4	27.542	81.6	63.82	20.893	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005582	A25B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O.[C-]#[N+]C1CCCCC1	MC-0000005614	A27B14C4	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005662	A30B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005678	A31B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005694	A32B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005710	A33B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC=O.[C-]#[N+]C1CCCCC1	MC-0000005774	A37B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005806	A39B14C4	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005822	A40B14C4	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]C1CCCCC1	MC-0000005870	A43B14C4	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=O.[C-]#[N+]C1CCCCC1	MC-0000005886	A44B14C4	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005567	A24B15C4	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005631	A28B15C4	110	100	110	110	110
CO.Nc1ccccc1.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005679	A31B15C4	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005695	A32B15C4	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005727	A34B15C4	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccs1.[C-]#[N+]C1CCCCC1	MC-0000005743	A35B15C4	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CC1.[C-]#[N+]C1CCCCC1	MC-0000005791	A38B15C4	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005839	A41B15C4	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005855	A42B15C4	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005871	A43B15C4	110	100	110	110	110
O.CO.Nc1ccccc1.C=O.[C-]#[N+]C1CCCCC1	MC-0000005887	A44B15C4	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005584	A25B16C4	110	100	110	89.125	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]C1CCCCC1	MC-0000005664	A30B16C4	110	100	110	67.608	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]C1CCCCC1	MC-0000005680	A31B16C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]C1CCCCC1	MC-0000005696	A32B16C4	110	100	99.91	70.795	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005712	A33B16C4	110	100	110	100	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C1CCCCC1	MC-0000005808	A39B16C4	110	100	110	60.256	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]C1CCCCC1	MC-0000005824	A40B16C4	110	100	110	66.069	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C1CCCCC1	MC-0000005840	A41B16C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]C1CCCCC1	MC-0000005856	A42B16C4	110	100	110	63.096	110
Cl.Cl.CO.CCCCCC=O.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000005889	A1B1C5	110	100	110	37.154	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000005905	A2B1C5	110	100	110	47.863	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000005921	A3B1C5	110	100	110	50.119	110
Cl.Cl.CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000005953	A5B1C5	110	100	110	53.703	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000005985	A7B1C5	110	100	110	52.481	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000006017	A9B1C5	110	100	110	48.978	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000006065	A12B1C5	110	100	110	38.019	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1	MC-0000006113	A15B1C5	110	100	110	110	110
Cl.Cl.CO.CSCCC=O.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006129	A16B1C5	110	100	110	50.119	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006145	A17B1C5	110	100	110	47.863	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006161	A18B1C5	110	100	110	53.703	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1	MC-0000006177	A19B1C5	110	100	110	46.774	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1	MC-0000006193	A20B1C5	110	100	110	39.811	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CCCCC1	MC-0000006209	A21B1C5	110	100	110	51.286	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1	MC-0000006225	A22B1C5	110	100	110	46.774	110
CO.CCCCCC=O.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000005890	A1B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000005906	A2B2C5	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000005922	A3B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1	MC-0000005938	A4B2C5	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000005954	A5B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000005986	A7B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000006018	A9B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000006050	A11B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000006066	A12B2C5	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006082	A13B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1	MC-0000006114	A15B2C5	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006130	A16B2C5	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006146	A17B2C5	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006162	A18B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1	MC-0000006178	A19B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1	MC-0000006194	A20B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1	MC-0000006210	A21B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1	MC-0000006226	A22B2C5	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000005891	A1B3C5	110	100	110	35.481	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000005907	A2B3C5	110	100	110	48.978	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000005923	A3B3C5	110	100	110	58.884	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000005939	A4B3C5	110	100	110	60.256	110
Cl.Cl.CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000005955	A5B3C5	110	100	110	53.703	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000005987	A7B3C5	110	100	110	51.286	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000006019	A9B3C5	110	100	110	54.954	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000006051	A11B3C5	110	100	110	63.096	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000006115	A15B3C5	110	100	110	54.954	110
Cl.Cl.CO.CSCCC=O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006131	A16B3C5	110	100	110	50.119	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006147	A17B3C5	110	100	110	64.565	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006163	A18B3C5	110	100	110	79.433	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000006179	A19B3C5	110	100	110	61.66	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000006195	A20B3C5	110	100	110	56.234	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000006211	A21B3C5	110	100	110	60.256	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000006227	A22B3C5	110	100	110	63.096	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000005908	A2B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1ccco1	MC-0000005972	A6B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000005988	A7B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006004	A8B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000006068	A12B4C5	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000006084	A13B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006100	A14B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=CC1CCCCC1	MC-0000006212	A21B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1	MC-0000006228	A22B4C5	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000005893	A1B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000005909	A2B5C5	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000005925	A3B5C5	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000005957	A5B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006021	A9B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006053	A11B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000006069	A12B5C5	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000006085	A13B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=CCCc1ccccc1	MC-0000006117	A15B5C5	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000006133	A16B5C5	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000006149	A17B5C5	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000006165	A18B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000006181	A19B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000006197	A20B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=CC1CCCCC1	MC-0000006213	A21B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1	MC-0000006229	A22B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000005910	A2B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000005990	A7B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006006	A8B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006038	A10B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000006070	A12B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006102	A14B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=CC1CCCCC1	MC-0000006214	A21B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1	MC-0000006230	A22B6C5	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000005895	A1B7C5	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000005927	A3B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000005943	A4B7C5	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000005959	A5B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccco1	MC-0000005975	A6B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006007	A8B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000006023	A9B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006039	A10B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006055	A11B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=CCCc1ccccc1	MC-0000006119	A15B7C5	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000006135	A16B7C5	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000006151	A17B7C5	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000006167	A18B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000006183	A19B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000006199	A20B7C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000005912	A2B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000005928	A3B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1	MC-0000005944	A4B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000005960	A5B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1	MC-0000005976	A6B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000005992	A7B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006008	A8B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000006024	A9B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000006056	A11B8C5	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006088	A13B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1	MC-0000006184	A19B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1	MC-0000006232	A22B8C5	110	100	110	110	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000005929	A3B9C5	110	100	110	79.433	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000005945	A4B9C5	110	100	110	69.183	110
Cl.CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000005961	A5B9C5	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccco1	MC-0000005977	A6B9C5	110	100	110	18.621	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006009	A8B9C5	110	100	110	77.625	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000006025	A9B9C5	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006041	A10B9C5	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006057	A11B9C5	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=CCCc1ccccc1	MC-0000006121	A15B9C5	110	100	110	67.608	110
Cl.CO.CSCCC=O.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000006137	A16B9C5	110	100	110	42.658	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000006169	A18B9C5	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000006185	A19B9C5	110	100	110	37.154	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000006201	A20B9C5	110	100	110	57.544	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=CC1CCCCC1	MC-0000006217	A21B9C5	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000005898	A1B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000005914	A2B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.Clc1ccc(C=O)cc1	MC-0000005946	A4B10C5	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000005962	A5B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1ccco1	MC-0000005978	A6B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006010	A8B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006026	A9B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006042	A10B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006058	A11B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006106	A14B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=CCCc1ccccc1	MC-0000006122	A15B10C5	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000006138	A16B10C5	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000006154	A17B10C5	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000006170	A18B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.OCc1ccc(C=O)o1	MC-0000006186	A19B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=CC=Cc1ccccc1	MC-0000006202	A20B10C5	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000005899	A1B11C5	110	100	61.84	27.542	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000005931	A3B11C5	110	100	99.91	33.884	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000005947	A4B11C5	110	100	69.85	30.2	110
Cl.Cl.CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000005963	A5B11C5	110	100	58.6	41.687	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccco1	MC-0000005979	A6B11C5	83.176	100	76.15	26.303	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000005995	A7B11C5	110	100	93.7	60.256	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006011	A8B11C5	110	100	74.35	31.623	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000006075	A12B11C5	100	100	63.64	25.704	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006091	A13B11C5	51.286	100	89.74	38.905	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1	MC-0000006123	A15B11C5	110	100	110	57.544	110
Cl.Cl.CO.CSCCC=O.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006139	A16B11C5	110	100	110	56.234	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006171	A18B11C5	110	100	75.34	25.119	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CCCCC1	MC-0000006219	A21B11C5	110	100	76.24	39.811	110
CO.CCCCCC=O.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000005900	A1B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000005916	A2B12C5	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000005932	A3B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.Clc1ccc(C=O)cc1	MC-0000005948	A4B12C5	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000005964	A5B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1ccco1	MC-0000005980	A6B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006028	A9B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006044	A10B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006060	A11B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=CCCc1ccccc1	MC-0000006124	A15B12C5	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000006140	A16B12C5	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000006156	A17B12C5	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000006172	A18B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.OCc1ccc(C=O)o1	MC-0000006188	A19B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=CC=Cc1ccccc1	MC-0000006204	A20B12C5	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000005901	A1B13C5	110	100	110	32.359	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000005933	A3B13C5	110	100	110	38.019	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000005949	A4B13C5	46.774	100	110	30.2	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccco1	MC-0000005981	A6B13C5	31.623	100	89.56	23.988	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000005997	A7B13C5	52.481	100	110	30.903	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000006077	A12B13C5	14.125	100	110	25.119	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006093	A13B13C5	28.84	100	110	44.668	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006109	A14B13C5	44.668	100	110	35.481	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCCc1ccccc1	MC-0000006125	A15B13C5	66.069	100	110	56.234	110
Cl.Cl.CO.CSCCC=O.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006141	A16B13C5	42.658	100	110	27.542	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006157	A17B13C5	74.131	100	110	37.154	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CCCCC1	MC-0000006221	A21B13C5	36.308	100	110	44.668	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1	MC-0000006237	A22B13C5	12.023	100	110	25.119	110
O.CO.CCCCCC=O.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000005902	A1B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12	MC-0000005918	A2B14C5	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000005934	A3B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1	MC-0000005950	A4B14C5	110	100	110	110	110
O.CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000005966	A5B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O	MC-0000005998	A7B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006030	A9B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006062	A11B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1	MC-0000006078	A12B14C5	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006094	A13B14C5	110	100	110	110	110
O.CO.CSCCC=O.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006142	A16B14C5	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006158	A17B14C5	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006174	A18B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1	MC-0000006190	A19B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CCCCC1	MC-0000006222	A21B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1	MC-0000006238	A22B14C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1c[nH]c2ccccc12	MC-0000005919	A2B15C5	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000005935	A3B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.Clc1ccc(C=O)cc1	MC-0000005951	A4B15C5	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000005967	A5B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1ccco1	MC-0000005983	A6B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1coc2ccccc2c1=O	MC-0000005999	A7B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006015	A8B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006047	A10B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006063	A11B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc2ccccc2c1	MC-0000006079	A12B15C5	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000006095	A13B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006111	A14B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=CC1CCCCC1	MC-0000006223	A21B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1	MC-0000006239	A22B15C5	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000005904	A1B16C5	110	100	110	66.069	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000005920	A2B16C5	110	100	110	58.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000005952	A4B16C5	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000005968	A5B16C5	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000006000	A7B16C5	110	100	110	75.858	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000006064	A11B16C5	110	57	74.89	93.325	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000006080	A12B16C5	110	100	110	50.119	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006112	A14B16C5	110	100	110	64.565	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000006128	A15B16C5	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006144	A16B16C5	110	100	110	81.283	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006160	A17B16C5	110	100	110	83.176	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006176	A18B16C5	110	100	110	57.544	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000006192	A19B16C5	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000006208	A20B16C5	110	100	110	61.66	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000006224	A21B16C5	110	100	110	79.433	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000006240	A22B16C5	110	100	110	63.096	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1	MC-0000006241	A23B1C5	110	100	110	28.184	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006273	A25B1C5	110	100	110	60.256	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O	MC-0000006305	A27B1C5	110	100	110	37.154	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCc1ccccc1	MC-0000006369	A31B1C5	110	100	110	53.703	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccn1	MC-0000006385	A32B1C5	110	100	110	51.286	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000006401	A33B1C5	110	100	110	61.66	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccs1	MC-0000006433	A35B1C5	110	100	110	54.954	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC=O	MC-0000006465	A37B1C5	110	100	110	20.893	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006497	A39B1C5	110	100	110	48.978	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000006561	A43B1C5	110	100	110	51.286	110
O.Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.C=O	MC-0000006577	A44B1C5	110	100	110	75.858	110
O.CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1	MC-0000006354	A30B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1	MC-0000006370	A31B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1	MC-0000006386	A32B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000006402	A33B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1	MC-0000006434	A35B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC=O	MC-0000006466	A37B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006498	A39B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O	MC-0000006514	A40B2C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000006546	A42B2C5	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006562	A43B2C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.C=O	MC-0000006578	A44B2C5	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000006243	A23B3C5	110	100	110	32.359	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006275	A25B3C5	110	100	110	58.884	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000006307	A27B3C5	110	100	110	38.019	110
O.Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000006355	A30B3C5	110	100	110	46.774	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000006371	A31B3C5	110	100	110	48.978	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000006387	A32B3C5	110	100	110	69.183	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000006403	A33B3C5	110	100	110	52.481	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000006435	A35B3C5	110	100	110	47.863	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000006467	A37B3C5	110	100	65.62	23.988	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006499	A39B3C5	110	100	110	51.286	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000006515	A40B3C5	110	100	110	57.544	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000006547	A42B3C5	110	100	110	69.183	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006563	A43B3C5	110	100	110	53.703	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000006260	A24B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006292	A26B4C5	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000006324	A28B4C5	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000006340	A29B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=CCc1ccccc1	MC-0000006372	A31B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1ccccn1	MC-0000006388	A32B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1cccs1	MC-0000006436	A35B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=CC1CC1	MC-0000006484	A38B4C5	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000006532	A41B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000006548	A42B4C5	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].Nc1ccncc1	MC-0000006564	A43B4C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.C=O	MC-0000006580	A44B4C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000006245	A23B5C5	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1	MC-0000006277	A25B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000006309	A27B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccn1	MC-0000006389	A32B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006501	A39B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000006517	A40B5C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.C=O	MC-0000006581	A44B5C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc[nH]1	MC-0000006246	A23B6C5	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000006262	A24B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006294	A26B6C5	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000006326	A28B6C5	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000006342	A29B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=CCc1ccccc1	MC-0000006374	A31B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1ccccn1	MC-0000006390	A32B6C5	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000006422	A34B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1cccs1	MC-0000006438	A35B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.OCC=O	MC-0000006470	A37B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=CC1CC1	MC-0000006486	A38B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000006550	A42B6C5	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].Nc1cccnc1	MC-0000006566	A43B6C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.C=O	MC-0000006582	A44B6C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000006247	A23B7C5	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000006279	A25B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000006311	A27B7C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000006359	A30B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=CCc1ccccc1	MC-0000006375	A31B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccn1	MC-0000006391	A32B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000006407	A33B7C5	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000006423	A34B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.OCC=O	MC-0000006471	A37B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=CC1CC1	MC-0000006487	A38B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006503	A39B7C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000006519	A40B7C5	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000006535	A41B7C5	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1	MC-0000006567	A43B7C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.C=O	MC-0000006583	A44B7C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1	MC-0000006248	A23B8C5	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006264	A24B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006296	A26B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O	MC-0000006312	A27B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006328	A28B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1	MC-0000006392	A32B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006424	A34B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1	MC-0000006488	A38B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O	MC-0000006520	A40B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006536	A41B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000006552	A42B8C5	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006568	A43B8C5	110	100	110	110	110
O.O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.C=O	MC-0000006584	A44B8C5	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000006313	A27B9C5	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000006409	A33B9C5	110	100	110	110	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000006425	A34B9C5	110	100	110	39.811	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=CC1CC1	MC-0000006489	A38B9C5	110	100	110	110	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000006521	A40B9C5	110	100	110	45.709	110
Cl.CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1	MC-0000006537	A41B9C5	110	100	110	22.387	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000006266	A24B10C5	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000006282	A25B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006298	A26B10C5	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000006330	A28B10C5	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000006346	A29B10C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1ncc[nH]1	MC-0000006362	A30B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000006410	A33B10C5	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000006426	A34B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1cccs1	MC-0000006442	A35B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=CC1CC1	MC-0000006490	A38B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006506	A39B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1C=O	MC-0000006522	A40B10C5	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].NCc1ccncc1	MC-0000006538	A41B10C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000006554	A42B10C5	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000006251	A23B11C5	110	100	83.89	30.2	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006299	A26B11C5	69.183	100	91.27	31.623	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000006315	A27B11C5	110	100	62.92	28.184	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006347	A29B11C5	83.176	100	75.52	27.542	110
O.Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000006363	A30B11C5	110	100	75.61	34.674	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCc1ccccc1	MC-0000006379	A31B11C5	110	100	99.91	46.774	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccn1	MC-0000006395	A32B11C5	110	100	94.87	45.709	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000006411	A33B11C5	110	100	96.4	43.652	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006427	A34B11C5	45.709	100	53.29	19.055	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccs1	MC-0000006443	A35B11C5	110	100	65.08	28.184	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC=O	MC-0000006475	A37B11C5	66.069	100	59.77	28.84	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006507	A39B11C5	110	100	110	56.234	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000006523	A40B11C5	110	100	110	52.481	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000006555	A42B11C5	110	100	95.5	38.905	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006571	A43B11C5	110	100	98.83	50.119	110
O.Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.C=O	MC-0000006587	A44B11C5	89.125	85.2	23.23	22.387	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000006268	A24B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006300	A26B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.OCC(O)C(O)CC=O	MC-0000006316	A27B12C5	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000006332	A28B12C5	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000006348	A29B12C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1ncc[nH]1	MC-0000006364	A30B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000006412	A33B12C5	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000006428	A34B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1cccs1	MC-0000006444	A35B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=CC1CC1	MC-0000006492	A38B12C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006508	A39B12C5	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].NCc1cccnc1	MC-0000006540	A41B12C5	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006301	A26B13C5	40.738	88.8	110	33.113	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006333	A28B13C5	53.703	100	110	30.903	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006349	A29B13C5	66.069	71.7	110	21.38	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCc1ccccc1	MC-0000006381	A31B13C5	43.652	100	110	36.308	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccn1	MC-0000006397	A32B13C5	36.308	100	110	20.893	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccs1	MC-0000006445	A35B13C5	36.308	100	110	33.884	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.OCC=O	MC-0000006477	A37B13C5	45.709	80.2	99.91	25.704	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CC1	MC-0000006493	A38B13C5	100	100	110	36.308	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000006525	A40B13C5	110	100	110	30.903	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006573	A43B13C5	25.119	87.4	110	26.303	110
O.Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.C=O	MC-0000006589	A44B13C5	46.774	79.4	73.99	24.547	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1	MC-0000006254	A23B14C5	110	100	110	110	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006286	A25B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O	MC-0000006318	A27B14C5	110	100	110	110	110
O.O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1	MC-0000006366	A30B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccn1	MC-0000006398	A32B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O	MC-0000006414	A33B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccs1	MC-0000006446	A35B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006510	A39B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O	MC-0000006526	A40B14C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1	MC-0000006558	A42B14C5	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006574	A43B14C5	110	100	110	110	110
O.O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.C=O	MC-0000006590	A44B14C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc[nH]1	MC-0000006255	A23B15C5	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000006271	A24B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006303	A26B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.OCC(O)C(O)CC=O	MC-0000006319	A27B15C5	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000006335	A28B15C5	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000006351	A29B15C5	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000006431	A34B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1cccs1	MC-0000006447	A35B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.OCC=O	MC-0000006479	A37B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=CC1CC1	MC-0000006495	A38B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1C=O	MC-0000006527	A40B15C5	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000006543	A41B15C5	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc2OCOc2c1	MC-0000006559	A42B15C5	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)[N+]#[C-].Nc1ccccc1	MC-0000006575	A43B15C5	110	100	110	110	110
O.CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.C=O	MC-0000006591	A44B15C5	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000006256	A23B16C5	110	100	110	35.481	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006288	A25B16C5	110	100	110	64.565	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006304	A26B16C5	110	100	110	74.131	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000006384	A31B16C5	110	100	110	56.234	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000006400	A32B16C5	110	100	52.48	54.954	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000006416	A33B16C5	110	100	110	54.954	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000006480	A37B16C5	110	100	94.15	38.019	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000006512	A39B16C5	110	100	110	52.481	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000006560	A42B16C5	110	100	110	53.703	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006576	A43B16C5	110	100	110	56.234	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000006592	A44B16C5	110	100	110	77.625	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N	MC-0000006625	A3B1C6	110	100	110	54.954	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000006641	A4B1C6	110	100	110	51.286	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CC(C)CC=O.NCc1cccc(c1)C(=N)N	MC-0000006657	A5B1C6	110	100	110	53.703	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000006689	A7B1C6	110	100	110	53.703	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000006721	A9B1C6	110	100	110	56.234	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000006769	A12B1C6	110	100	110	40.738	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1	MC-0000006817	A15B1C6	110	100	110	51.286	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CSCCC=O.NCc1cccc(c1)C(=N)N	MC-0000006833	A16B1C6	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N	MC-0000006849	A17B1C6	110	100	110	48.978	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1	MC-0000006881	A19B1C6	110	100	110	42.658	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1	MC-0000006897	A20B1C6	110	100	110	25.119	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1	MC-0000006929	A22B1C6	110	100	110	53.703	110
CO.CCCCCC=O.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006594	A1B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000006610	A2B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O	MC-0000006626	A3B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1	MC-0000006642	A4B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O	MC-0000006658	A5B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000006690	A7B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000006722	A9B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000006770	A12B2C6	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000006786	A13B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1	MC-0000006818	A15B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O	MC-0000006850	A17B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O	MC-0000006866	A18B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1	MC-0000006882	A19B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1	MC-0000006898	A20B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1	MC-0000006914	A21B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1	MC-0000006930	A22B2C6	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000006595	A1B3C6	110	100	110	35.481	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000006611	A2B3C6	110	100	110	47.863	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N	MC-0000006627	A3B3C6	110	100	110	54.954	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000006643	A4B3C6	110	100	110	56.234	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000006691	A7B3C6	110	100	110	57.544	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000006755	A11B3C6	110	100	110	58.884	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000006771	A12B3C6	110	100	110	37.154	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CSCCC=O.NCc1ccc(cc1)C(=N)N	MC-0000006835	A16B3C6	110	100	110	81.283	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N	MC-0000006851	A17B3C6	110	100	110	54.954	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N	MC-0000006867	A18B3C6	110	100	110	61.66	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000006883	A19B3C6	110	100	110	70.795	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000006899	A20B3C6	110	100	110	53.703	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000006915	A21B3C6	110	100	110	69.183	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000006612	A2B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccco1	MC-0000006676	A6B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006740	A10B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000006772	A12B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006804	A14B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=CC1CCCCC1	MC-0000006916	A21B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1	MC-0000006932	A22B4C6	110	100	110	110	110
CO.CCCCCC=O.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000006597	A1B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000006613	A2B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1	MC-0000006629	A3B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000006645	A4B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(C)CC=O.NCc1ccc(N)cc1	MC-0000006661	A5B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000006693	A7B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006725	A9B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006757	A11B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000006773	A12B5C6	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000006789	A13B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CSCCC=O.NCc1ccc(N)cc1	MC-0000006837	A16B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1	MC-0000006853	A17B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1	MC-0000006869	A18B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000006885	A19B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000006901	A20B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=CC1CCCCC1	MC-0000006917	A21B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1	MC-0000006933	A22B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000006614	A2B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccco1	MC-0000006678	A6B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000006694	A7B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006710	A8B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006742	A10B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000006774	A12B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006806	A14B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=CC1CCCCC1	MC-0000006918	A21B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1	MC-0000006934	A22B6C6	110	100	110	110	110
CO.CCCCCC=O.COC(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000006599	A1B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(C)CC=O.Nc1cccc(N)c1	MC-0000006663	A5B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccco1	MC-0000006679	A6B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000006695	A7B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006711	A8B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000006727	A9B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006743	A10B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006759	A11B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=CCCc1ccccc1	MC-0000006823	A15B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CSCCC=O.Nc1cccc(N)c1	MC-0000006839	A16B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1	MC-0000006855	A17B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1	MC-0000006871	A18B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000006887	A19B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000006903	A20B7C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000006616	A2B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006632	A3B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1	MC-0000006648	A4B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1	MC-0000006680	A6B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006712	A8B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000006728	A9B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000006760	A11B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000006776	A12B8C6	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006792	A13B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006808	A14B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1	MC-0000006888	A19B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1	MC-0000006920	A21B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1	MC-0000006936	A22B8C6	110	100	110	110	110
Cl.CO.CCCCCC=O.COC(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000006601	A1B9C6	110	100	110	77.625	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000006617	A2B9C6	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1	MC-0000006633	A3B9C6	110	100	110	38.019	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000006649	A4B9C6	110	100	110	24.547	110
Cl.CO.COC(=O)C[N+]#[C-].CC(C)CC=O.NCc1cccc(N)c1	MC-0000006665	A5B9C6	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccco1	MC-0000006681	A6B9C6	110	100	110	17.378	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006713	A8B9C6	110	100	110	23.988	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000006729	A9B9C6	110	100	110	41.687	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006745	A10B9C6	110	100	110	69.183	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006761	A11B9C6	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].CSCCC=O.NCc1cccc(N)c1	MC-0000006841	A16B9C6	110	100	110	54.954	110
Cl.CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1	MC-0000006857	A17B9C6	110	100	110	33.113	110
Cl.CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1	MC-0000006873	A18B9C6	110	100	110	22.909	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000006889	A19B9C6	110	100	110	33.113	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000006905	A20B9C6	110	100	110	35.481	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=CC1CCCCC1	MC-0000006921	A21B9C6	110	100	110	110	110
CO.CCCCCC=O.COC(=O)C[N+]#[C-].NCc1ccncc1	MC-0000006602	A1B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000006618	A2B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1	MC-0000006634	A3B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.Clc1ccc(C=O)cc1	MC-0000006650	A4B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccco1	MC-0000006682	A6B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006730	A9B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006746	A10B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006762	A11B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006810	A14B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=CCCc1ccccc1	MC-0000006826	A15B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CSCCC=O.NCc1ccncc1	MC-0000006842	A16B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1ccncc1	MC-0000006874	A18B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.OCc1ccc(C=O)o1	MC-0000006890	A19B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=CC=Cc1ccccc1	MC-0000006906	A20B10C6	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006603	A1B11C6	110	100	53.47	25.119	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000006619	A2B11C6	110	100	56.53	27.542	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1	MC-0000006635	A3B11C6	110	100	69.76	28.84	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000006651	A4B11C6	110	100	48.07	31.623	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CC(C)CC=O.NC(=N)c1ccc(N)cc1	MC-0000006667	A5B11C6	110	100	64.72	33.113	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccco1	MC-0000006683	A6B11C6	61.66	100	60.22	25.119	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006715	A8B11C6	110	100	56.44	26.303	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006763	A11B11C6	110	100	55.36	33.113	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000006779	A12B11C6	100	100	54.28	28.184	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006795	A13B11C6	85.114	100	80.65	35.481	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006811	A14B11C6	100	100	60.85	30.903	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1	MC-0000006827	A15B11C6	110	100	93.25	39.811	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CSCCC=O.NC(=N)c1ccc(N)cc1	MC-0000006843	A16B11C6	110	100	110	72.444	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1	MC-0000006859	A17B11C6	110	100	69.4	33.113	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1	MC-0000006875	A18B11C6	110	100	54.1	31.623	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CCCCC1	MC-0000006923	A21B11C6	110	100	76.51	37.154	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1	MC-0000006939	A22B11C6	110	100	58.06	30.903	110
CO.CCCCCC=O.COC(=O)C[N+]#[C-].NCc1cccnc1	MC-0000006604	A1B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1	MC-0000006636	A3B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.Clc1ccc(C=O)cc1	MC-0000006652	A4B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(C)CC=O.NCc1cccnc1	MC-0000006668	A5B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccco1	MC-0000006684	A6B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006716	A8B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006732	A9B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006748	A10B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006764	A11B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006812	A14B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=CCCc1ccccc1	MC-0000006828	A15B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1cccnc1	MC-0000006876	A18B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.OCc1ccc(C=O)o1	MC-0000006892	A19B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=CC=Cc1ccccc1	MC-0000006908	A20B12C6	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006605	A1B13C6	51.286	100	110	19.953	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000006621	A2B13C6	60.256	100	110	21.878	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1	MC-0000006637	A3B13C6	110	100	110	30.2	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccco1	MC-0000006685	A6B13C6	41.687	50.4	61.93	20.893	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000006701	A7B13C6	64.565	100	110	33.113	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000006781	A12B13C6	54.954	94.9	110	28.84	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000006797	A13B13C6	58.884	100	110	33.884	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006813	A14B13C6	97.724	100	110	28.184	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CSCCC=O.NC(=N)c1cccc(N)c1	MC-0000006845	A16B13C6	47.863	100	99.91	27.542	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1	MC-0000006861	A17B13C6	97.724	100	110	30.2	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1	MC-0000006877	A18B13C6	110	100	110	32.359	110
O.CO.CCCCCC=O.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000006606	A1B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12	MC-0000006622	A2B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1	MC-0000006638	A3B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1	MC-0000006654	A4B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].CC(C)CC=O.NC(=O)c1ccc(N)nc1	MC-0000006670	A5B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O	MC-0000006702	A7B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006734	A9B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006766	A11B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].CSCCC=O.NC(=O)c1ccc(N)nc1	MC-0000006846	A16B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1	MC-0000006862	A17B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1	MC-0000006878	A18B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1	MC-0000006910	A20B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1	MC-0000006942	A22B14C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1c[nH]c2ccccc12	MC-0000006623	A2B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1	MC-0000006639	A3B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.Clc1ccc(C=O)cc1	MC-0000006655	A4B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(C)CC=O.Nc1ccccc1	MC-0000006671	A5B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccco1	MC-0000006687	A6B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000006719	A8B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2	MC-0000006735	A9B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000006751	A10B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000006767	A11B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc2ccccc2c1	MC-0000006783	A12B15C6	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].Nc1ccccc1	MC-0000006799	A13B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=CC1CCCCC1	MC-0000006927	A21B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1	MC-0000006943	A22B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000006624	A2B16C6	110	100	110	52.481	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000006768	A11B16C6	110	83	95.68	75.858	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000006784	A12B16C6	110	100	110	38.905	110
CO.CCCOc1ccc(C=O)cc1.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000006800	A13B16C6	110	100	110	97.724	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000006816	A14B16C6	110	100	110	60.256	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000006832	A15B16C6	110	100	110	87.096	110
CO.COC(=O)C[N+]#[C-].CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000006848	A16B16C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000006864	A17B16C6	110	100	110	77.625	110
CO.COC(=O)C[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000006880	A18B16C6	110	100	110	54.954	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000006912	A20B16C6	110	100	110	46.774	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000006944	A22B16C6	110	100	110	69.183	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1	MC-0000006945	A23B1C6	110	100	110	40.738	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N	MC-0000006977	A25B1C6	110	100	110	79.433	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O	MC-0000007009	A27B1C6	110	100	110	41.687	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCc1ccccc1	MC-0000007073	A31B1C6	110	100	110	66.069	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccn1	MC-0000007089	A32B1C6	110	100	110	42.658	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC=O	MC-0000007169	A37B1C6	110	100	110	47.863	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CC1	MC-0000007185	A38B1C6	110	100	110	58.884	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N	MC-0000007265	A43B1C6	110	100	110	54.954	110
O.Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.C=O	MC-0000007281	A44B1C6	110	100	110	47.863	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1	MC-0000006946	A23B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O	MC-0000006978	A25B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O	MC-0000007010	A27B2C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1	MC-0000007058	A30B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1	MC-0000007074	A31B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1	MC-0000007090	A32B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000007106	A33B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC=O	MC-0000007170	A37B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CC1	MC-0000007186	A38B2C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007202	A39B2C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.C=O	MC-0000007282	A44B2C6	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000006947	A23B3C6	110	100	110	38.019	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N	MC-0000006979	A25B3C6	110	100	110	64.565	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000007011	A27B3C6	110	100	110	40.738	110
O.Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000007059	A30B3C6	110	100	99.91	47.863	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000007075	A31B3C6	110	100	110	52.481	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000007171	A37B3C6	110	100	110	44.668	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000007187	A38B3C6	110	100	110	51.286	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007203	A39B3C6	110	100	110	85.114	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000007219	A40B3C6	110	100	110	61.66	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N	MC-0000007267	A43B3C6	110	100	110	57.544	110
O.Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000007283	A44B3C6	110	100	110	70.795	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc[nH]1	MC-0000006948	A23B4C6	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].Nc1ccncc1	MC-0000006964	A24B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006996	A26B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1	MC-0000007028	A28B4C6	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].Nc1ccncc1	MC-0000007044	A29B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=CCc1ccccc1	MC-0000007076	A31B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccccn1	MC-0000007092	A32B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1	MC-0000007124	A34B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1cccs1	MC-0000007140	A35B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.OCC=O	MC-0000007172	A37B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000007252	A42B4C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].Nc1ccncc1.C=O	MC-0000007284	A44B4C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000006949	A23B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1	MC-0000006981	A25B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000007013	A27B5C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000007061	A30B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=CCc1ccccc1	MC-0000007077	A31B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccn1	MC-0000007093	A32B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000007109	A33B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.OCC=O	MC-0000007173	A37B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=CC1CC1	MC-0000007189	A38B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007205	A39B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000007221	A40B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.NCc1ccc(N)cc1	MC-0000007269	A43B5C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc[nH]1	MC-0000006950	A23B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000006998	A26B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1	MC-0000007030	A28B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=CCc1ccccc1	MC-0000007078	A31B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccccn1	MC-0000007094	A32B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1	MC-0000007126	A34B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1cccs1	MC-0000007142	A35B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.OCC=O	MC-0000007174	A37B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(=O)C=O.Nc1cccnc1	MC-0000007238	A41B6C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.Nc1cccnc1	MC-0000007270	A43B6C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].Nc1cccnc1.C=O	MC-0000007286	A44B6C6	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000006967	A24B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1	MC-0000006983	A25B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000007015	A27B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1	MC-0000007031	A28B7C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000007063	A30B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=CCc1ccccc1	MC-0000007079	A31B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000007111	A33B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1	MC-0000007127	A34B7C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(=O)C=O.Nc1cccc(N)c1	MC-0000007239	A41B7C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1	MC-0000006952	A23B8C6	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000006968	A24B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000007000	A26B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000007032	A28B8C6	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000007048	A29B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1	MC-0000007080	A31B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1	MC-0000007096	A32B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1	MC-0000007144	A35B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC=O	MC-0000007176	A37B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1	MC-0000007192	A38B8C6	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000007256	A42B8C6	110	100	110	110	110
O.O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.C=O	MC-0000007288	A44B8C6	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1	MC-0000006985	A25B9C6	110	100	110	63.096	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000007001	A26B9C6	110	100	110	33.113	110
Cl.CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1	MC-0000007033	A28B9C6	110	100	110	83.176	110
O.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000007065	A30B9C6	110	100	110	67.608	110
Cl.CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1	MC-0000007129	A34B9C6	110	100	110	54.954	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=CC1CC1	MC-0000007193	A38B9C6	110	100	110	110	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007209	A39B9C6	110	100	110	33.884	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000007225	A40B9C6	110	100	110	39.811	110
Cl.CO.COC(=O)C[N+]#[C-].CC(=O)C=O.NCc1cccc(N)c1	MC-0000007241	A41B9C6	110	100	110	15.136	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].NCc1ccncc1	MC-0000006970	A24B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000007002	A26B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.OCC(O)C(O)CC=O	MC-0000007018	A27B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1	MC-0000007034	A28B10C6	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].NCc1ccncc1	MC-0000007050	A29B10C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ncc[nH]1	MC-0000007066	A30B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000007114	A33B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1	MC-0000007130	A34B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=CC1CC1	MC-0000007194	A38B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007210	A39B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1C=O	MC-0000007226	A40B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(=O)C=O.NCc1ccncc1	MC-0000007242	A41B10C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000007258	A42B10C6	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000006955	A23B11C6	110	100	63.55	24.547	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000006971	A24B11C6	47.863	100	55.45	22.387	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000007003	A26B11C6	79.433	100	52.3	28.184	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000007019	A27B11C6	110	100	63.19	38.905	110
O.Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000007067	A30B11C6	110	100	57.61	30.903	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCc1ccccc1	MC-0000007083	A31B11C6	110	100	83.35	39.811	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1	MC-0000007131	A34B11C6	52.481	100	39.79	20.417	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccs1	MC-0000007147	A35B11C6	110	100	64.18	20.893	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CC1	MC-0000007195	A38B11C6	110	100	49.15	33.884	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007211	A39B11C6	110	100	87.67	35.481	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000007227	A40B11C6	110	100	110	25.119	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CC(=O)C=O.NC(=N)c1ccc(N)cc1	MC-0000007243	A41B11C6	110	100	62.65	36.308	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000007259	A42B11C6	110	100	53.29	29.512	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].NCc1cccnc1	MC-0000006972	A24B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000007004	A26B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.OCC(O)C(O)CC=O	MC-0000007020	A27B12C6	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].NCc1cccnc1	MC-0000007052	A29B12C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ncc[nH]1	MC-0000007068	A30B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000007116	A33B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1	MC-0000007132	A34B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1cccs1	MC-0000007148	A35B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007212	A39B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1C=O	MC-0000007228	A40B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CC(=O)C=O.NCc1cccnc1	MC-0000007244	A41B12C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000007260	A42B12C6	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000006957	A23B13C6	74.131	100	110	15.488	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000007005	A26B13C6	48.978	100	110	26.915	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000007021	A27B13C6	110	100	110	39.811	110
O.Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000007069	A30B13C6	110	100	110	21.878	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccn1	MC-0000007101	A32B13C6	50.119	100	110	23.988	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000007117	A33B13C6	70.795	100	110	35.481	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1	MC-0000007133	A34B13C6	25.119	72.3	92.26	23.988	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1	MC-0000007277	A43B13C6	69.183	100	110	32.359	110
O.Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.C=O	MC-0000007293	A44B13C6	33.113	63.6	50.14	16.218	110
O.CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1	MC-0000006990	A25B14C6	110	100	110	110	110
O.O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1	MC-0000007070	A30B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCc1ccccc1	MC-0000007086	A31B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccn1	MC-0000007102	A32B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC=O	MC-0000007182	A37B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CC1	MC-0000007198	A38B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007214	A39B14C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O	MC-0000007230	A40B14C6	110	100	110	110	110
O.O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.C=O	MC-0000007294	A44B14C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc[nH]1	MC-0000006959	A23B15C6	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COC(=O)C[N+]#[C-].Nc1ccccc1	MC-0000006975	A24B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000007007	A26B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1	MC-0000007039	A28B15C6	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COC(=O)C[N+]#[C-].Nc1ccccc1	MC-0000007055	A29B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccccn1	MC-0000007103	A32B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1	MC-0000007135	A34B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1cccs1	MC-0000007151	A35B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.OCC=O	MC-0000007183	A37B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=CC1CC1	MC-0000007199	A38B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc2OCOc2c1	MC-0000007263	A42B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.Nc1ccccc1	MC-0000007279	A43B15C6	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].Nc1ccccc1.C=O	MC-0000007295	A44B15C6	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000006960	A23B16C6	110	100	110	32.359	110
CO.COC(=O)C[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000006992	A25B16C6	110	100	110	75.858	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000007024	A27B16C6	110	100	110	45.709	110
O.CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000007072	A30B16C6	110	100	110	64.565	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000007088	A31B16C6	110	100	110	66.069	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000007104	A32B16C6	110	100	110	87.096	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000007120	A33B16C6	110	100	110	85.114	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000007216	A39B16C6	110	100	110	72.444	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000007232	A40B16C6	110	100	110	56.234	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000007264	A42B16C6	110	100	110	56.234	110
CO.COC(=O)C[N+]#[C-].COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000007280	A43B16C6	110	100	110	54.954	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007313	A2B1C7	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007329	A3B1C7	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007345	A4B1C7	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007361	A5B1C7	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007377	A6B1C7	110	100	110	91.201	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007425	A9B1C7	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007473	A12B1C7	110	100	110	60.256	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007489	A13B1C7	110	100	110	83.176	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007505	A14B1C7	110	100	110	85.114	110
Cl.Cl.CO.CSCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007537	A16B1C7	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007553	A17B1C7	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007569	A18B1C7	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007617	A21B1C7	110	100	110	77.625	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007378	A6B2C7	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007394	A7B2C7	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007442	A10B2C7	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007474	A12B2C7	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007490	A13B2C7	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007634	A22B2C7	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007315	A2B3C7	110	100	110	83.176	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007379	A6B3C7	110	100	110	72.444	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007395	A7B3C7	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007459	A11B3C7	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007475	A12B3C7	110	100	110	48.978	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007491	A13B3C7	110	100	110	70.795	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007555	A17B3C7	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007635	A22B3C7	110	100	110	91.201	110
CO.CCCCCC=O.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007300	A1B4C7	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007316	A2B4C7	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007332	A3B4C7	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007364	A5B4C7	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007380	A6B4C7	110	100	110	110	110
CO.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007412	A8B4C7	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007428	A9B4C7	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007444	A10B4C7	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007460	A11B4C7	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007508	A14B4C7	110	100	110	110	110
CO.Nc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007524	A15B4C7	110	100	110	110	110
CO.CSCCC=O.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007540	A16B4C7	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007572	A18B4C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007317	A2B5C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007381	A6B5C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007397	A7B5C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007445	A10B5C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007477	A12B5C7	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007493	A13B5C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007509	A14B5C7	110	100	110	110	110
CO.CCCCCC=O.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007302	A1B6C7	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007318	A2B6C7	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007334	A3B6C7	110	100	110	110	110
CO.Nc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007350	A4B6C7	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007366	A5B6C7	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007382	A6B6C7	110	100	110	110	110
CO.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007414	A8B6C7	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007430	A9B6C7	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007446	A10B6C7	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007462	A11B6C7	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007510	A14B6C7	110	100	110	110	110
CO.CSCCC=O.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007542	A16B6C7	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007558	A17B6C7	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007574	A18B6C7	110	100	110	110	110
CO.Nc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007590	A19B6C7	110	100	110	110	110
CO.Nc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007606	A20B6C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007319	A2B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007399	A7B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007479	A12B7C7	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007495	A13B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007511	A14B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007527	A15B7C7	110	100	110	110	110
CO.CSCCC=O.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007543	A16B7C7	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007559	A17B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007607	A20B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007623	A21B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007639	A22B7C7	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007304	A1B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007336	A3B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007352	A4B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007368	A5B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007384	A6B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007416	A8B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007448	A10B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007464	A11B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007512	A14B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007528	A15B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007544	A16B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007560	A17B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007608	A20B8C7	110	100	110	110	110
Cl.CO.CCCCCC=O.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007305	A1B9C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007353	A4B9C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007385	A6B9C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007417	A8B9C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007433	A9B9C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007449	A10B9C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007465	A11B9C7	110	100	110	110	110
Cl.CO.CSCCC=O.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007545	A16B9C7	110	100	110	110	110
Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007561	A17B9C7	110	100	110	110	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007577	A18B9C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007609	A20B9C7	110	100	110	72.444	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007338	A3B10C7	110	100	110	110	110
CO.NCc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007354	A4B10C7	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007370	A5B10C7	110	100	110	110	110
CO.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007418	A8B10C7	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007434	A9B10C7	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007450	A10B10C7	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007466	A11B10C7	110	100	110	110	110
CO.NCc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007530	A15B10C7	110	100	110	110	110
CO.CSCCC=O.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007546	A16B10C7	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007562	A17B10C7	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007578	A18B10C7	110	100	110	110	110
CO.NCc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007610	A20B10C7	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007307	A1B11C7	91.201	100	46.18	17.378	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007323	A2B11C7	110	100	77.32	39.811	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007387	A6B11C7	110	100	48.52	38.019	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007403	A7B11C7	100	100	99.91	42.658	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007419	A8B11C7	110	100	60.58	38.905	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007435	A9B11C7	57.544	100	72.82	35.481	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007451	A10B11C7	110	100	67.42	37.154	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007467	A11B11C7	81.283	100	58.96	38.019	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007483	A12B11C7	100	100	54.46	30.903	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007499	A13B11C7	91.201	100	110	64.565	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007515	A14B11C7	81.283	100	81.91	45.709	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007531	A15B11C7	110	100	63.82	33.884	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007547	A16B11C7	110	100	73.81	38.905	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007563	A17B11C7	110	100	82.81	38.905	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007611	A20B11C7	85.114	100	57.34	21.38	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007627	A21B11C7	110	100	62.2	36.308	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007643	A22B11C7	110	100	54.46	33.884	110
CO.CCCCCC=O.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007308	A1B12C7	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007340	A3B12C7	110	100	110	110	110
CO.NCc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007356	A4B12C7	110	100	110	110	110
CO.CC(C)CC=O.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007372	A5B12C7	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007388	A6B12C7	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007404	A7B12C7	110	100	110	110	110
CO.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007420	A8B12C7	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007436	A9B12C7	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007452	A10B12C7	110	100	110	110	110
CO.CSCCC=O.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007548	A16B12C7	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007580	A18B12C7	110	100	110	110	110
CO.NCc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007596	A19B12C7	110	100	110	110	110
CO.NCc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007612	A20B12C7	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007309	A1B13C7	47.863	100	99.91	19.498	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007325	A2B13C7	75.858	100	110	34.674	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007357	A4B13C7	70.795	100	110	30.903	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007373	A5B13C7	83.176	100	110	33.884	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007437	A9B13C7	40.738	8.1	110	23.988	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007453	A10B13C7	74.131	59.4	110	39.811	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007469	A11B13C7	42.658	19.4	110	34.674	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007485	A12B13C7	47.863	98.5	99.91	30.903	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007549	A16B13C7	37.154	100	78.67	24.547	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007597	A19B13C7	51.286	100	110	25.119	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007613	A20B13C7	29.512	98.9	110	18.197	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007645	A22B13C7	44.668	100	110	30.2	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007406	A7B14C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007454	A10B14C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007486	A12B14C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007518	A14B14C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccncc1	MC-0000007630	A21B14C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007646	A22B14C7	110	100	110	110	110
CO.CCCCCC=O.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007311	A1B15C7	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007375	A5B15C7	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccco1.[C-]#[N+]Cc1ccncc1	MC-0000007391	A6B15C7	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007439	A9B15C7	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccncc1	MC-0000007455	A10B15C7	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccncc1	MC-0000007471	A11B15C7	110	100	110	110	110
CO.Nc1ccccc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007535	A15B15C7	110	100	110	110	110
CO.CSCCC=O.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007551	A16B15C7	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007567	A17B15C7	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007583	A18B15C7	110	100	110	110	110
CO.Nc1ccccc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccncc1	MC-0000007599	A19B15C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccncc1	MC-0000007328	A2B16C7	110	100	110	85.114	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccncc1	MC-0000007408	A7B16C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007424	A8B16C7	110	100	110	83.176	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007488	A12B16C7	110	100	110	87.096	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007504	A13B16C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007520	A14B16C7	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007568	A17B16C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007648	A22B16C7	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007649	A23B1C7	110	100	110	66.069	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007665	A24B1C7	110	100	110	70.795	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007681	A25B1C7	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007697	A26B1C7	110	100	110	51.286	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007745	A29B1C7	110	100	110	48.978	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007777	A31B1C7	110	100	110	40.738	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007793	A32B1C7	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007873	A37B1C7	110	100	110	23.988	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007889	A38B1C7	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007953	A42B1C7	110	100	110	69.183	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007969	A43B1C7	110	100	110	75.858	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007985	A44B1C7	110	100	110	35.481	110
CO.CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007666	A24B2C7	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007682	A25B2C7	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007698	A26B2C7	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007730	A28B2C7	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007746	A29B2C7	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007794	A32B2C7	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007842	A35B2C7	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007874	A37B2C7	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007954	A42B2C7	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007986	A44B2C7	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007667	A24B3C7	110	100	110	81.283	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007683	A25B3C7	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007747	A29B3C7	110	100	110	53.703	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007763	A30B3C7	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007779	A31B3C7	110	100	110	44.668	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007827	A34B3C7	70.795	100	110	18.197	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007843	A35B3C7	110	100	110	51.286	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007907	A39B3C7	110	100	110	110	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007971	A43B3C7	110	100	110	72.444	110
CO.CCOC(=O)C1CC1C=O.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007668	A24B4C7	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007700	A26B4C7	110	100	110	110	110
CO.Nc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007716	A27B4C7	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007732	A28B4C7	110	100	110	110	110
O.CO.Nc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007764	A30B4C7	110	100	110	110	110
CO.Nc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007812	A33B4C7	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007828	A34B4C7	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007844	A35B4C7	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007892	A38B4C7	110	100	110	110	110
CO.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007908	A39B4C7	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007924	A40B4C7	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007940	A41B4C7	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007956	A42B4C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007701	A26B5C7	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007749	A29B5C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007797	A32B5C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007845	A35B5C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007877	A37B5C7	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007957	A42B5C7	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007973	A43B5C7	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007989	A44B5C7	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007670	A24B6C7	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007702	A26B6C7	110	100	110	110	110
CO.Nc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007718	A27B6C7	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007734	A28B6C7	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007750	A29B6C7	110	100	110	110	110
O.CO.Nc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007766	A30B6C7	110	100	110	110	110
CO.Nc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007814	A33B6C7	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007830	A34B6C7	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007894	A38B6C7	110	100	110	110	110
CO.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007910	A39B6C7	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007926	A40B6C7	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007942	A41B6C7	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007958	A42B6C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007655	A23B7C7	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007687	A25B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007719	A27B7C7	110	100	110	110	110
O.CO.Nc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007767	A30B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007783	A31B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007799	A32B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007815	A33B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007847	A35B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007879	A37B7C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007927	A40B7C7	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007975	A43B7C7	110	100	110	110	110
O.CO.Nc1cccc(N)c1.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007991	A44B7C7	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007672	A24B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007688	A25B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007720	A27B8C7	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007752	A29B8C7	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007768	A30B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007816	A33B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccncc1	MC-0000007832	A34B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007848	A35B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007896	A38B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007928	A40B8C7	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007960	A42B8C7	110	100	110	110	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007689	A25B9C7	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007737	A28B9C7	110	100	110	110	110
O.Cl.CO.NCc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007769	A30B9C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007817	A33B9C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007881	A37B9C7	110	100	110	23.988	110
Cl.CO.NCc1cccc(N)c1.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007897	A38B9C7	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007929	A40B9C7	110	100	110	34.674	110
O.Cl.CO.NCc1cccc(N)c1.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007993	A44B9C7	110	100	110	66.069	110
CO.CCOC(=O)C1CC1C=O.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007674	A24B10C7	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007690	A25B10C7	110	100	110	110	110
CO.NCc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007722	A27B10C7	110	100	110	110	110
O.CO.NCc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007770	A30B10C7	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007834	A34B10C7	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007898	A38B10C7	110	100	110	110	110
CO.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007914	A39B10C7	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007930	A40B10C7	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccncc1.[C-]#[N+]Cc1ccncc1	MC-0000007946	A41B10C7	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007659	A23B11C7	79.433	100	55.81	33.113	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007675	A24B11C7	110	100	78.04	26.303	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007691	A25B11C7	66.069	99.9	71.38	22.909	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007707	A26B11C7	100	100	67.24	33.113	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007739	A28B11C7	100	100	54.37	19.055	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007771	A30B11C7	110	100	72.91	34.674	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007803	A32B11C7	110	100	74.8	20.893	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007819	A33B11C7	100	100	77.41	25.119	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007835	A34B11C7	37.154	100	75.34	14.125	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007851	A35B11C7	110	100	75.43	30.903	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007915	A39B11C7	100	100	99.91	34.674	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007963	A42B11C7	100	84.9	70.48	31.623	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccncc1	MC-0000007979	A43B11C7	110	100	89.47	32.359	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=O.[C-]#[N+]Cc1ccncc1	MC-0000007995	A44B11C7	85.114	56.5	25.21	14.125	110
CO.CCOC(=O)C1CC1C=O.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007676	A24B12C7	110	100	110	110	110
CO.NCc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007724	A27B12C7	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007740	A28B12C7	110	100	110	110	110
O.CO.NCc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007772	A30B12C7	110	100	110	110	110
CO.NCc1cccnc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007788	A31B12C7	110	100	110	110	110
CO.NCc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007820	A33B12C7	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007836	A34B12C7	110	100	110	110	110
CO.CC(=O)C=O.NCc1cccnc1.[C-]#[N+]Cc1ccncc1	MC-0000007948	A41B12C7	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007677	A24B13C7	42.658	100	110	18.621	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007757	A29B13C7	66.069	100	110	28.184	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007789	A31B13C7	40.738	100	110	30.2	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007837	A34B13C7	23.988	72.2	110	15.849	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007853	A35B13C7	30.2	100	110	18.197	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccncc1	MC-0000007981	A43B13C7	43.652	29.8	110	35.481	100
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007662	A23B14C7	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007678	A24B14C7	110	100	110	110	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007694	A25B14C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007710	A26B14C7	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007742	A28B14C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007790	A31B14C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007806	A32B14C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007886	A37B14C7	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccncc1	MC-0000007966	A42B14C7	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccncc1	MC-0000007982	A43B14C7	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007679	A24B15C7	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007711	A26B15C7	110	100	110	110	110
CO.Nc1ccccc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccncc1	MC-0000007727	A27B15C7	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007743	A28B15C7	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007759	A29B15C7	110	100	110	110	110
CO.Nc1ccccc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007823	A33B15C7	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007839	A34B15C7	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CC1.[C-]#[N+]Cc1ccncc1	MC-0000007903	A38B15C7	110	100	110	110	110
CO.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007919	A39B15C7	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccncc1	MC-0000007935	A40B15C7	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007951	A41B15C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccncc1	MC-0000007664	A23B16C7	110	100	110	50.119	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007696	A25B16C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccncc1	MC-0000007712	A26B16C7	110	27.8	110	69.183	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]Cc1ccncc1	MC-0000007792	A31B16C7	110	100	110	38.905	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]Cc1ccncc1	MC-0000007808	A32B16C7	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007840	A34B16C7	110	100	110	31.623	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]Cc1ccncc1	MC-0000007856	A35B16C7	110	100	110	67.608	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]Cc1ccncc1	MC-0000007888	A37B16C7	110	100	110	17.783	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccncc1	MC-0000007920	A39B16C7	110	100	110	110	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007952	A41B16C7	110	100	110	34.674	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccncc1	MC-0000007984	A43B16C7	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]Cc1ccncc1	MC-0000008000	A44B16C7	110	100	110	42.658	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008017	A2B1C8	110	100	110	48.978	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008097	A7B1C8	110	100	110	48.978	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008113	A8B1C8	110	100	110	51.286	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008145	A10B1C8	110	100	110	58.884	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008161	A11B1C8	110	100	99.91	52.481	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008177	A12B1C8	110	100	110	44.668	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008193	A13B1C8	110	100	110	41.687	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008209	A14B1C8	110	100	110	56.234	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008337	A22B1C8	110	100	110	50.119	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008018	A2B2C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008082	A6B2C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008114	A8B2C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008146	A10B2C8	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008194	A13B2C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008210	A14B2C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008322	A21B2C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008338	A22B2C8	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008019	A2B3C8	110	100	110	43.652	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008083	A6B3C8	110	100	110	47.863	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008099	A7B3C8	110	100	110	48.978	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008115	A8B3C8	110	100	110	50.119	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008147	A10B3C8	110	100	110	56.234	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008179	A12B3C8	110	100	110	45.709	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008195	A13B3C8	110	100	110	50.119	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008323	A21B3C8	110	100	110	48.978	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008339	A22B3C8	110	100	110	54.954	110
CO.CCCCCC=O.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008004	A1B4C8	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008036	A3B4C8	110	100	110	110	110
CO.Nc1ccncc1.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008052	A4B4C8	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008068	A5B4C8	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008084	A6B4C8	110	100	110	110	110
CO.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008116	A8B4C8	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008132	A9B4C8	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008164	A11B4C8	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008212	A14B4C8	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008228	A15B4C8	110	100	110	110	110
CO.CSCCC=O.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008244	A16B4C8	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008276	A18B4C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008021	A2B5C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008085	A6B5C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008101	A7B5C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008149	A10B5C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008181	A12B5C8	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008197	A13B5C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008213	A14B5C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008325	A21B5C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008341	A22B5C8	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008038	A3B6C8	110	100	110	110	110
CO.Nc1cccnc1.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008054	A4B6C8	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008070	A5B6C8	110	100	110	110	110
CO.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008118	A8B6C8	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008134	A9B6C8	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008150	A10B6C8	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008166	A11B6C8	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008214	A14B6C8	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008230	A15B6C8	110	100	110	110	110
CO.CSCCC=O.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008246	A16B6C8	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008262	A17B6C8	110	100	110	110	110
CO.Nc1cccnc1.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008294	A19B6C8	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008310	A20B6C8	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008023	A2B7C8	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008103	A7B7C8	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008199	A13B7C8	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008215	A14B7C8	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008263	A17B7C8	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008327	A21B7C8	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008343	A22B7C8	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008008	A1B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008040	A3B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008056	A4B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008072	A5B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008088	A6B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008120	A8B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008152	A10B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008248	A16B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008264	A17B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008280	A18B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008296	A19B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008312	A20B8C8	110	100	110	110	110
Cl.CO.CCCCCC=O.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008009	A1B9C8	110	100	110	81.283	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008025	A2B9C8	110	100	110	66.069	110
Cl.CO.CC(C)CC=O.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008073	A5B9C8	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008105	A7B9C8	110	100	110	75.858	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008137	A9B9C8	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008153	A10B9C8	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008185	A12B9C8	110	100	110	63.096	110
Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008201	A13B9C8	110	100	110	56.234	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008217	A14B9C8	110	100	110	74.131	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008233	A15B9C8	110	100	110	74.131	110
Cl.CO.CSCCC=O.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008249	A16B9C8	110	100	110	53.703	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008313	A20B9C8	110	100	110	56.234	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008345	A22B9C8	110	100	110	79.433	110
CO.CCCCCC=O.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008010	A1B10C8	110	100	110	110	110
CO.NCc1ccncc1.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008058	A4B10C8	110	100	110	110	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008106	A7B10C8	110	100	110	110	110
CO.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008122	A8B10C8	110	100	110	110	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008138	A9B10C8	110	100	110	110	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008186	A12B10C8	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008202	A13B10C8	110	100	110	110	110
CO.CSCCC=O.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008250	A16B10C8	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008266	A17B10C8	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008282	A18B10C8	110	100	110	110	110
CO.NCc1ccncc1.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008298	A19B10C8	110	100	110	110	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008330	A21B10C8	110	100	110	110	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008346	A22B10C8	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008011	A1B11C8	75.858	100	57.52	27.542	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008027	A2B11C8	110	100	75.97	30.903	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008043	A3B11C8	110	100	86.23	33.113	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008059	A4B11C8	77.625	100	75.7	26.303	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008091	A6B11C8	60.256	100	67.6	36.308	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008107	A7B11C8	100	100	90.01	35.481	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008139	A9B11C8	15.849	100	74.44	44.668	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008171	A11B11C8	66.069	100	50.41	34.674	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008203	A13B11C8	50.119	100	99.91	37.154	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008219	A14B11C8	44.668	100	72.64	38.019	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008299	A19B11C8	70.795	100	59.5	25.704	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008331	A21B11C8	110	100	77.23	37.154	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008347	A22B11C8	77.625	100	72.55	34.674	110
CO.CCCCCC=O.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008012	A1B12C8	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008044	A3B12C8	110	100	110	110	110
CO.NCc1cccnc1.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008060	A4B12C8	110	100	110	110	110
CO.CC(C)CC=O.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008076	A5B12C8	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008108	A7B12C8	110	100	110	110	110
CO.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008124	A8B12C8	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008140	A9B12C8	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc2ccccc2c1	MC-0000008188	A12B12C8	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008236	A15B12C8	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008284	A18B12C8	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008316	A20B12C8	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008332	A21B12C8	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008348	A22B12C8	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008045	A3B13C8	77.625	100	110	30.903	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008061	A4B13C8	43.652	100	110	28.184	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008077	A5B13C8	57.544	100	110	33.884	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008093	A6B13C8	19.498	68.4	56.35	22.909	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008125	A8B13C8	45.709	100	110	25.704	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008141	A9B13C8	24.547	39.1	110	28.184	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008157	A10B13C8	38.019	100	110	53.703	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008173	A11B13C8	50.119	100	110	34.674	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008205	A13B13C8	33.884	100	110	38.905	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008221	A14B13C8	31.623	81.4	110	36.308	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008253	A16B13C8	19.498	100	99.91	20.893	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008301	A19B13C8	46.774	100	99.91	25.119	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008317	A20B13C8	13.804	74.9	110	15.488	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008349	A22B13C8	28.84	100	110	33.113	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008030	A2B14C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1ccco1	MC-0000008094	A6B14C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008110	A7B14C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008126	A8B14C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008158	A10B14C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008222	A14B14C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1ccccc1	MC-0000008350	A22B14C8	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008047	A3B15C8	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008079	A5B15C8	110	100	110	110	110
CO.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008127	A8B15C8	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008143	A9B15C8	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)c2ccccc2	MC-0000008159	A10B15C8	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1ccc(cc1)N2CCCC2	MC-0000008175	A11B15C8	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=CCCc1ccccc1	MC-0000008239	A15B15C8	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008271	A17B15C8	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008287	A18B15C8	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=CC=Cc1ccccc1	MC-0000008319	A20B15C8	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1c[nH]c2ccccc12	MC-0000008032	A2B16C8	110	100	110	38.019	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008048	A3B16C8	110	100	110	48.978	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.C=CC[N+]#[C-]	MC-0000008064	A4B16C8	110	100	110	45.709	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1coc2ccccc2c1=O	MC-0000008112	A7B16C8	110	100	110	54.954	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccccc1OCc2ccccc2	MC-0000008144	A9B16C8	110	100	110	53.703	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc(Oc2ccccc2)cc1	MC-0000008224	A14B16C8	110	100	110	51.286	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.C=CC[N+]#[C-]	MC-0000008304	A19B16C8	110	100	110	43.652	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=CC1CCCCC1	MC-0000008336	A21B16C8	110	100	110	61.66	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008369	A24B1C8	110	100	110	57.544	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008401	A26B1C8	110	100	110	51.286	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008433	A28B1C8	110	100	110	47.863	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008449	A29B1C8	110	100	110	54.954	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008481	A31B1C8	110	100	110	57.544	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008497	A32B1C8	110	100	110	46.774	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-]	MC-0000008529	A34B1C8	110	100	97.3	29.512	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008545	A35B1C8	110	100	110	45.709	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC=O.C=CC[N+]#[C-]	MC-0000008577	A37B1C8	110	100	110	25.704	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008657	A42B1C8	110	100	110	51.286	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=O.C=CC[N+]#[C-]	MC-0000008689	A44B1C8	110	100	110	39.811	110
CO.CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008370	A24B2C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008402	A26B2C8	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008434	A28B2C8	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008450	A29B2C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008482	A31B2C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008498	A32B2C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008546	A35B2C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC=O.C=CC[N+]#[C-]	MC-0000008578	A37B2C8	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008658	A42B2C8	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-]	MC-0000008674	A43B2C8	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=O.C=CC[N+]#[C-]	MC-0000008690	A44B2C8	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008355	A23B3C8	110	100	110	38.905	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008371	A24B3C8	110	100	110	52.481	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008403	A26B3C8	110	100	110	48.978	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008451	A29B3C8	110	100	110	58.884	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008483	A31B3C8	110	100	110	56.234	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008499	A32B3C8	110	100	110	58.884	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008531	A34B3C8	110	100	110	28.184	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008547	A35B3C8	110	100	110	66.069	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC=O.C=CC[N+]#[C-]	MC-0000008579	A37B3C8	100	100	74.08	25.119	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008627	A40B3C8	50.119	100	110	45.709	110
Cl.Cl.CO.CC(=O)C=O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008643	A41B3C8	110	100	110	42.658	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008659	A42B3C8	110	100	110	54.954	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008675	A43B3C8	110	100	110	63.096	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=O.C=CC[N+]#[C-]	MC-0000008691	A44B3C8	110	100	110	47.863	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008388	A25B4C8	110	100	110	110	110
CO.Nc1ccncc1.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008420	A27B4C8	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008452	A29B4C8	110	100	110	110	110
O.CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008468	A30B4C8	110	100	110	110	110
CO.Nc1ccncc1.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008516	A33B4C8	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008548	A35B4C8	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=CC1CC1	MC-0000008596	A38B4C8	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccncc1.C=CC[N+]#[C-]	MC-0000008644	A41B4C8	110	100	110	110	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008660	A42B4C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008357	A23B5C8	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008373	A24B5C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008405	A26B5C8	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008453	A29B5C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008485	A31B5C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008501	A32B5C8	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008533	A34B5C8	110	100	110	93.325	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008549	A35B5C8	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC=O.C=CC[N+]#[C-]	MC-0000008581	A37B5C8	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008645	A41B5C8	110	100	110	93.325	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008661	A42B5C8	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.C=O.C=CC[N+]#[C-]	MC-0000008693	A44B5C8	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008374	A24B6C8	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008390	A25B6C8	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008406	A26B6C8	110	100	110	110	110
CO.Nc1cccnc1.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008422	A27B6C8	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008438	A28B6C8	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008454	A29B6C8	110	100	110	110	110
O.CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008470	A30B6C8	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1.C=CC[N+]#[C-]	MC-0000008534	A34B6C8	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008550	A35B6C8	110	100	110	110	110
CO.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008614	A39B6C8	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008662	A42B6C8	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008359	A23B7C8	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008455	A29B7C8	110	100	110	110	110
O.CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008471	A30B7C8	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008487	A31B7C8	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008503	A32B7C8	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008519	A33B7C8	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008551	A35B7C8	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC=O.C=CC[N+]#[C-]	MC-0000008583	A37B7C8	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008615	A39B7C8	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008679	A43B7C8	110	100	110	110	110
O.CO.Nc1cccc(N)c1.C=O.C=CC[N+]#[C-]	MC-0000008695	A44B7C8	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008376	A24B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008392	A25B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008424	A27B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008440	A28B8C8	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008456	A29B8C8	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008472	A30B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008520	A33B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-]	MC-0000008536	A34B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=CC1CC1	MC-0000008600	A38B8C8	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008616	A39B8C8	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008361	A23B9C8	110	100	110	63.096	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008393	A25B9C8	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008425	A27B9C8	110	100	110	85.114	110
O.Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008473	A30B9C8	110	100	110	79.433	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008489	A31B9C8	110	100	110	64.565	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008553	A35B9C8	110	100	110	77.625	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=CC1CC1	MC-0000008601	A38B9C8	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008617	A39B9C8	110	100	110	60.256	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008633	A40B9C8	110	100	110	25.119	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008665	A42B9C8	110	100	110	69.183	110
O.Cl.CO.NCc1cccc(N)c1.C=O.C=CC[N+]#[C-]	MC-0000008697	A44B9C8	110	100	110	38.019	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008362	A23B10C8	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008394	A25B10C8	110	100	110	110	110
CO.NCc1ccncc1.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008426	A27B10C8	110	100	110	110	110
O.CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008474	A30B10C8	110	100	110	110	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008506	A32B10C8	110	100	110	110	110
CO.NCc1ccncc1.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008522	A33B10C8	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008538	A34B10C8	110	100	110	110	110
CO.NCc1ccncc1.OCC=O.C=CC[N+]#[C-]	MC-0000008586	A37B10C8	110	100	110	110	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=CC1CC1	MC-0000008602	A38B10C8	110	100	110	110	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008634	A40B10C8	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008650	A41B10C8	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccncc1.C=CC[N+]#[C-]	MC-0000008682	A43B10C8	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008363	A23B11C8	83.176	100	49.78	28.84	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008379	A24B11C8	110	100	61.66	36.308	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008395	A25B11C8	70.795	100	69.22	33.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008411	A26B11C8	58.884	100	63.82	28.84	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008427	A27B11C8	69.183	100	56.17	23.442	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008443	A28B11C8	110	100	55.9	30.903	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008459	A29B11C8	85.114	100	56.44	33.884	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008475	A30B11C8	110	100	53.2	30.2	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008491	A31B11C8	110	100	99.91	53.703	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008507	A32B11C8	110	100	60.67	30.903	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008539	A34B11C8	42.658	100	41.05	18.197	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008555	A35B11C8	100	100	54.19	36.308	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC=O.C=CC[N+]#[C-]	MC-0000008587	A37B11C8	45.709	100	37.18	25.704	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=CC1CC1	MC-0000008603	A38B11C8	110	100	83.17	60.256	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008619	A39B11C8	97.724	100	99.91	38.019	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008667	A42B11C8	110	100	58.51	34.674	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-]	MC-0000008683	A43B11C8	95.499	100	71.83	43.652	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=O.C=CC[N+]#[C-]	MC-0000008699	A44B11C8	51.286	57	13.78	20.893	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008364	A23B12C8	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008396	A25B12C8	110	100	110	110	110
CO.NCc1cccnc1.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008428	A27B12C8	110	100	110	110	110
O.CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1ncc[nH]1	MC-0000008476	A30B12C8	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008492	A31B12C8	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008508	A32B12C8	110	100	110	110	110
CO.NCc1cccnc1.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008524	A33B12C8	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008540	A34B12C8	110	100	110	110	110
CO.NCc1cccnc1.OCC=O.C=CC[N+]#[C-]	MC-0000008588	A37B12C8	110	100	110	110	110
CO.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008620	A39B12C8	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008636	A40B12C8	110	100	110	110	110
CO.CC(=O)C=O.NCc1cccnc1.C=CC[N+]#[C-]	MC-0000008652	A41B12C8	110	100	110	110	110
O.CO.NCc1cccnc1.C=O.C=CC[N+]#[C-]	MC-0000008700	A44B12C8	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008365	A23B13C8	110	100	110	28.84	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008413	A26B13C8	38.019	100	110	32.359	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O.C=CC[N+]#[C-]	MC-0000008429	A27B13C8	89.125	100	110	33.884	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008445	A28B13C8	67.608	100	110	29.512	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008461	A29B13C8	41.687	100	110	29.512	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008509	A32B13C8	33.113	100	110	23.442	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008541	A34B13C8	21.878	100	96.31	17.783	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008557	A35B13C8	26.915	100	110	23.442	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=CC1CC1	MC-0000008605	A38B13C8	61.66	100	110	32.359	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008637	A40B13C8	69.183	100	110	26.303	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008653	A41B13C8	39.811	100	110	25.704	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc2OCOc2c1	MC-0000008669	A42B13C8	25.704	100	110	43.652	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-]	MC-0000008685	A43B13C8	19.498	100	110	33.113	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008366	A23B14C8	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008382	A24B14C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008414	A26B14C8	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008446	A28B14C8	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008462	A29B14C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008494	A31B14C8	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008542	A34B14C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008558	A35B14C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC=O.C=CC[N+]#[C-]	MC-0000008590	A37B14C8	110	100	110	110	110
O.CO.CC(=O)C=O.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008654	A41B14C8	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-]	MC-0000008686	A43B14C8	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008383	A24B15C8	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008447	A28B15C8	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008463	A29B15C8	110	100	110	110	110
CO.Nc1ccccc1.Clc1nc2ccccc2cc1C=O.C=CC[N+]#[C-]	MC-0000008527	A33B15C8	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=CC1CC1	MC-0000008607	A38B15C8	110	100	110	110	110
CO.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.C=CC[N+]#[C-]	MC-0000008623	A39B15C8	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1ccccc1C=O	MC-0000008639	A40B15C8	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccccc1.C=CC[N+]#[C-]	MC-0000008655	A41B15C8	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc[nH]1	MC-0000008368	A23B16C8	110	100	110	28.184	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1cccc(Oc2ccccc2)c1	MC-0000008416	A26B16C8	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008448	A28B16C8	110	100	110	52.481	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=CCc1ccccc1	MC-0000008496	A31B16C8	110	100	110	46.774	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccccn1	MC-0000008512	A32B16C8	110	100	99.91	83.176	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008544	A34B16C8	110	100	99.91	30.2	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1cccs1	MC-0000008560	A35B16C8	110	100	110	48.978	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=CC1CC1	MC-0000008608	A38B16C8	110	100	110	72.444	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008656	A41B16C8	110	100	110	42.658	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-]	MC-0000008688	A43B16C8	110	100	110	51.286	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O.C=CC[N+]#[C-]	MC-0000008704	A44B16C8	110	100	110	74.131	110
Cl.Cl.CO.CCCCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008705	A1B1C9	75.858	100	110	28.184	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008737	A3B1C9	110	100	110	52.481	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008753	A4B1C9	110	100	110	48.978	110
Cl.Cl.CO.CC(C)CC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008769	A5B1C9	110	100	110	97.724	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008785	A6B1C9	110	100	110	28.184	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008801	A7B1C9	100	100	110	47.863	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008817	A8B1C9	110	100	110	42.658	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008833	A9B1C9	110	100	110	52.481	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008849	A10B1C9	23.442	100	110	53.703	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008865	A11B1C9	110	100	99.91	48.978	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008897	A13B1C9	100	100	110	53.703	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008913	A14B1C9	61.66	100	110	47.863	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008929	A15B1C9	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000008993	A19B1C9	110	100	110	40.738	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009009	A20B1C9	63.096	100	110	16.596	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009041	A22B1C9	110	100	110	41.687	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008722	A2B2C9	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008738	A3B2C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008754	A4B2C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008786	A6B2C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008818	A8B2C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008834	A9B2C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008850	A10B2C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008882	A12B2C9	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008898	A13B2C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009026	A21B2C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009042	A22B2C9	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008707	A1B3C9	110	100	99.91	33.884	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008723	A2B3C9	110	100	110	75.858	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008739	A3B3C9	110	100	110	53.703	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008755	A4B3C9	110	100	110	52.481	110
Cl.Cl.CO.CC(C)CC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008771	A5B3C9	110	100	110	51.286	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008787	A6B3C9	110	100	110	48.978	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008803	A7B3C9	110	100	110	51.286	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008819	A8B3C9	110	100	110	77.625	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008835	A9B3C9	110	100	110	47.863	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008851	A10B3C9	110	100	110	51.286	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008867	A11B3C9	110	100	78.85	52.481	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000008995	A19B3C9	110	100	110	41.687	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009027	A21B3C9	110	100	110	60.256	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009043	A22B3C9	110	100	110	43.652	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008740	A3B4C9	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008772	A5B4C9	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008788	A6B4C9	110	100	110	110	110
CO.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008820	A8B4C9	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008836	A9B4C9	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008852	A10B4C9	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008868	A11B4C9	110	100	110	110	110
CO.Nc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008932	A15B4C9	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008964	A17B4C9	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008980	A18B4C9	110	100	110	110	110
CO.Nc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009012	A20B4C9	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008741	A3B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008757	A4B5C9	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008773	A5B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008789	A6B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008821	A8B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008837	A9B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008853	A10B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008869	A11B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008885	A12B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008917	A14B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009029	A21B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009045	A22B5C9	110	100	110	110	110
CO.CCCCCC=O.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008710	A1B6C9	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008742	A3B6C9	110	100	110	110	110
CO.Nc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008758	A4B6C9	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008774	A5B6C9	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008790	A6B6C9	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008838	A9B6C9	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008870	A11B6C9	110	100	110	110	110
CO.Nc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008934	A15B6C9	110	100	110	110	110
CO.CSCCC=O.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008950	A16B6C9	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008966	A17B6C9	110	100	110	110	110
CO.Nc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000008998	A19B6C9	110	100	110	110	110
CO.Nc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009014	A20B6C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008727	A2B7C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008791	A6B7C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008807	A7B7C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008855	A10B7C9	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008903	A13B7C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008919	A14B7C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009031	A21B7C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009047	A22B7C9	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008712	A1B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008744	A3B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008760	A4B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008776	A5B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008792	A6B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008808	A7B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008824	A8B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008840	A9B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008872	A11B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008936	A15B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008952	A16B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008968	A17B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000008984	A18B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000009000	A19B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009016	A20B8C9	110	100	110	110	110
Cl.CO.CCCCCC=O.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008713	A1B9C9	110	100	110	110	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008745	A3B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008761	A4B9C9	110	100	110	110	110
Cl.CO.CC(C)CC=O.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008777	A5B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008809	A7B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008825	A8B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008841	A9B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008873	A11B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008889	A12B9C9	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008905	A13B9C9	110	100	110	110	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008985	A18B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000009001	A19B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009049	A22B9C9	110	100	110	110	110
CO.CCCCCC=O.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008714	A1B10C9	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008730	A2B10C9	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008746	A3B10C9	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008810	A7B10C9	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008842	A9B10C9	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008874	A11B10C9	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008890	A12B10C9	110	100	110	51.286	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008906	A13B10C9	110	100	110	110	110
CO.NCc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008938	A15B10C9	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008970	A17B10C9	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000008986	A18B10C9	110	100	110	110	110
CO.NCc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000009002	A19B10C9	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008715	A1B11C9	77.625	100	63.82	30.903	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008731	A2B11C9	100	100	62.29	35.481	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008763	A4B11C9	110	100	41.14	33.113	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008779	A5B11C9	110	100	73.54	40.738	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008795	A6B11C9	110	100	57.43	31.623	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008827	A8B11C9	100	100	55.72	34.674	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008875	A11B11C9	87.096	100	48.61	31.623	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008891	A12B11C9	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008907	A13B11C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008923	A14B11C9	89.125	100	52.39	17.783	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000009003	A19B11C9	91.201	100	62.47	28.84	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009019	A20B11C9	81.283	100	58.6	30.903	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009035	A21B11C9	110	100	84.61	34.674	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009051	A22B11C9	100	100	62.11	35.481	110
CO.NCc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008764	A4B12C9	110	100	110	110	110
CO.CC(C)CC=O.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008780	A5B12C9	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008844	A9B12C9	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008876	A11B12C9	110	100	99.91	110	110
CO.NCc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000008892	A12B12C9	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008908	A13B12C9	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008924	A14B12C9	110	100	110	38.019	110
CO.NCc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008940	A15B12C9	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000008972	A17B12C9	110	100	110	110	110
CO.NCc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000009004	A19B12C9	110	100	110	110	110
CO.NCc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009020	A20B12C9	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009036	A21B12C9	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009052	A22B12C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008733	A2B13C9	85.114	100	110	34.674	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008797	A6B13C9	93.325	100	110	30.2	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008813	A7B13C9	110	100	110	42.658	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008829	A8B13C9	110	100	110	47.863	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008877	A11B13C9	110	100	73.09	33.884	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008909	A13B13C9	110	100	110	33.884	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008941	A15B13C9	91.201	100	110	37.154	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000008957	A16B13C9	54.954	100	110	26.303	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008734	A2B14C9	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000008750	A3B14C9	110	100	110	110	110
O.CO.CC(C)CC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000008782	A5B14C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008846	A9B14C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008878	A11B14C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000009006	A19B14C9	110	100	110	110	110
CO.Nc1ccccc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008767	A4B15C9	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008783	A5B15C9	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008799	A6B15C9	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCN1CCOCC1	MC-0000008815	A7B15C9	110	100	110	110	110
CO.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008831	A8B15C9	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008847	A9B15C9	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008863	A10B15C9	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008879	A11B15C9	110	100	110	110	110
CO.CSCCC=O.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008959	A16B15C9	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008975	A17B15C9	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000008991	A18B15C9	110	100	110	110	110
CO.Nc1ccccc1.OCc1ccc(C=O)o1.[C-]#[N+]CCN1CCOCC1	MC-0000009007	A19B15C9	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCN1CCOCC1	MC-0000008736	A2B16C9	110	100	110	81.283	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008752	A3B16C9	110	100	110	74.131	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008768	A4B16C9	110	100	110	50.119	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]CCN1CCOCC1	MC-0000008800	A6B16C9	110	100	110	37.154	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008848	A9B16C9	110	100	110	58.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCN1CCOCC1	MC-0000008864	A10B16C9	110	100	110	41.687	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCN1CCOCC1	MC-0000008880	A11B16C9	110	57.6	67.06	72.444	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008912	A13B16C9	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000008928	A14B16C9	110	100	110	39.811	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000008992	A18B16C9	110	100	110	39.811	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009024	A20B16C9	110	100	110	29.512	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]CCN1CCOCC1	MC-0000009040	A21B16C9	110	100	110	77.625	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009056	A22B16C9	110	100	110	48.978	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009073	A24B1C9	110	100	110	45.709	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009137	A28B1C9	110	100	110	33.884	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009153	A29B1C9	110	100	110	54.954	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009201	A32B1C9	110	100	110	26.915	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009233	A34B1C9	61.66	100	110	15.136	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009281	A37B1C9	110	100	110	40.738	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009297	A38B1C9	110	100	110	39.811	110
Cl.Cl.CO.CC(=O)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009345	A41B1C9	81.283	100	110	7.586	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009361	A42B1C9	110	100	110	37.154	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009377	A43B1C9	110	100	110	43.652	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009393	A44B1C9	110	100	110	12.023	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009106	A26B2C9	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009154	A29B2C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009202	A32B2C9	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009234	A34B2C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009250	A35B2C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009298	A38B2C9	110	100	110	110	110
CO.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009346	A41B2C9	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009362	A42B2C9	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009378	A43B2C9	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009394	A44B2C9	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009075	A24B3C9	110	100	110	44.668	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009155	A29B3C9	110	100	110	58.884	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009187	A31B3C9	110	100	110	33.113	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009235	A34B3C9	110	100	85.69	14.125	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009331	A40B3C9	24.547	100	110	19.055	110
Cl.Cl.CO.CC(=O)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009347	A41B3C9	110	100	99.91	0.389	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009379	A43B3C9	110	100	110	54.954	110
CO.CCOC(=O)C1CC1C=O.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009076	A24B4C9	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009092	A25B4C9	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009108	A26B4C9	110	100	110	110	110
CO.Nc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009124	A27B4C9	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009140	A28B4C9	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009156	A29B4C9	110	100	110	110	110
O.CO.Nc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009172	A30B4C9	110	100	110	110	110
CO.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009316	A39B4C9	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009332	A40B4C9	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009348	A41B4C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009061	A23B5C9	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009077	A24B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009109	A26B5C9	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009157	A29B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009189	A31B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009205	A32B5C9	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009237	A34B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009253	A35B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009301	A38B5C9	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009349	A41B5C9	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009365	A42B5C9	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009381	A43B5C9	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009094	A25B6C9	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009110	A26B6C9	110	100	110	110	110
CO.Nc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009126	A27B6C9	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009142	A28B6C9	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009158	A29B6C9	110	100	110	110	110
O.CO.Nc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009174	A30B6C9	110	100	110	110	110
CO.Nc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009222	A33B6C9	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009238	A34B6C9	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009302	A38B6C9	110	100	110	110	110
CO.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009318	A39B6C9	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009334	A40B6C9	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009350	A41B6C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009063	A23B7C9	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009095	A25B7C9	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009143	A28B7C9	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009159	A29B7C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009207	A32B7C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009255	A35B7C9	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009367	A42B7C9	110	100	110	110	110
O.CO.Nc1cccc(N)c1.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009399	A44B7C9	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009096	A25B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009144	A28B8C9	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009176	A30B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009224	A33B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009240	A34B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009320	A39B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009336	A40B8C9	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCN1CCOCC1	MC-0000009352	A41B8C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009065	A23B9C9	110	100	110	110	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009097	A25B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009129	A27B9C9	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009161	A29B9C9	110	100	110	39.811	110
O.Cl.CO.NCc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009177	A30B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009193	A31B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009209	A32B9C9	110	100	110	110	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009241	A34B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009289	A37B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009321	A39B9C9	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009337	A40B9C9	110	100	110	110	110
Cl.CO.CC(=O)C=O.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009353	A41B9C9	110	100	110	110	110
Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009385	A43B9C9	110	100	110	110	110
O.Cl.CO.NCc1cccc(N)c1.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009401	A44B9C9	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009066	A23B10C9	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009098	A25B10C9	110	100	110	110	110
CO.NCc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009130	A27B10C9	110	100	110	110	110
CO.NCc1ccncc1.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009194	A31B10C9	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009210	A32B10C9	110	100	110	110	110
CO.NCc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009226	A33B10C9	110	100	110	110	110
CO.NCc1ccncc1.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009290	A37B10C9	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009306	A38B10C9	110	100	110	110	110
CO.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009322	A39B10C9	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009338	A40B10C9	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccncc1.[C-]#[N+]CCN1CCOCC1	MC-0000009386	A43B10C9	110	100	110	110	110
O.CO.NCc1ccncc1.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009402	A44B10C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009115	A26B11C9	110	100	55.9	29.512	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009131	A27B11C9	110	100	72.73	32.359	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009147	A28B11C9	110	100	58.33	28.184	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009163	A29B11C9	100	100	67.87	36.308	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009195	A31B11C9	110	100	91.18	30.2	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009211	A32B11C9	110	100	77.23	33.884	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009243	A34B11C9	60.256	100	45.91	25.119	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009259	A35B11C9	110	100	73.72	31.623	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009355	A41B11C9	110	100	63.1	33.113	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCN1CCOCC1	MC-0000009387	A43B11C9	110	100	62.2	30.2	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009403	A44B11C9	110	100	68.68	31.623	110
CO.NCc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009068	A23B12C9	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009100	A25B12C9	110	100	110	110	110
CO.NCc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009132	A27B12C9	110	100	110	110	110
O.CO.NCc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009180	A30B12C9	110	100	110	110	110
CO.NCc1cccnc1.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009196	A31B12C9	110	100	110	110	110
CO.NCc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009228	A33B12C9	110	100	110	110	110
CO.NCc1cccnc1.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009292	A37B12C9	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009308	A38B12C9	110	100	110	110	110
CO.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009324	A39B12C9	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009340	A40B12C9	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1cccnc1.[C-]#[N+]CCN1CCOCC1	MC-0000009388	A43B12C9	110	100	110	110	110
O.CO.NCc1cccnc1.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009404	A44B12C9	110	100	110	110	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009245	A34B13C9	58.884	24	99.91	25.704	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009357	A41B13C9	110	100	110	39.811	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009389	A43B13C9	110	100	110	31.623	110
O.CO.CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000009086	A24B14C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009118	A26B14C9	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000009150	A28B14C9	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000009166	A29B14C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009198	A31B14C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009214	A32B14C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009262	A35B14C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009294	A37B14C9	110	100	110	110	110
O.CO.CC(=O)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCN1CCOCC1	MC-0000009358	A41B14C9	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009374	A42B14C9	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009406	A44B14C9	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009087	A24B15C9	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009103	A25B15C9	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009151	A28B15C9	110	100	110	110	110
O.CO.Nc1ccccc1.O=Cc1ncc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009183	A30B15C9	110	100	110	110	110
CO.Nc1ccccc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009231	A33B15C9	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1.[C-]#[N+]CCN1CCOCC1	MC-0000009247	A34B15C9	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009311	A38B15C9	110	100	110	110	110
CO.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCN1CCOCC1	MC-0000009327	A39B15C9	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009343	A40B15C9	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]CCN1CCOCC1	MC-0000009072	A23B16C9	110	100	94.33	29.512	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009088	A24B16C9	110	100	110	51.286	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009136	A27B16C9	110	100	110	28.184	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009152	A28B16C9	110	100	99.91	48.978	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009168	A29B16C9	110	100	110	46.774	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]CCN1CCOCC1	MC-0000009216	A32B16C9	110	100	110	56.234	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009248	A34B16C9	110	100	82.9	35.481	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]CCN1CCOCC1	MC-0000009264	A35B16C9	110	100	110	45.709	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]CCN1CCOCC1	MC-0000009296	A37B16C9	110	100	110	77.625	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]CCN1CCOCC1	MC-0000009312	A38B16C9	110	100	110	43.652	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009344	A40B16C9	53.703	100	110	27.542	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCN1CCOCC1	MC-0000009360	A41B16C9	110	100	99.91	2.291	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCN1CCOCC1	MC-0000009376	A42B16C9	110	100	110	48.978	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]CCN1CCOCC1	MC-0000009408	A44B16C9	110	100	110	38.019	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000009425	A2B1C10	110	100	110	46.774	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N	MC-0000009441	A3B1C10	110	100	110	48.978	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000009457	A4B1C10	110	100	110	53.703	110
Cl.Cl.CO.COCC[N+]#[C-].CC(C)CC=O.NCc1cccc(c1)C(=N)N	MC-0000009473	A5B1C10	110	100	110	54.954	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccco1	MC-0000009489	A6B1C10	110	100	110	43.652	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009521	A8B1C10	110	100	110	54.954	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000009553	A10B1C10	110	100	110	56.234	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000009569	A11B1C10	110	100	99.91	51.286	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000009601	A13B1C10	110	100	110	48.978	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009617	A14B1C10	110	100	110	51.286	110
Cl.Cl.CO.COCC[N+]#[C-].CSCCC=O.NCc1cccc(c1)C(=N)N	MC-0000009649	A16B1C10	95.499	100	110	47.863	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1	MC-0000009697	A19B1C10	110	100	110	50.119	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1	MC-0000009713	A20B1C10	110	100	110	26.915	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CCCCC1	MC-0000009729	A21B1C10	110	100	110	61.66	110
CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O	MC-0000009442	A3B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1	MC-0000009458	A4B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O	MC-0000009474	A5B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009522	A8B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000009538	A9B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000009554	A10B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000009570	A11B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000009586	A12B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009618	A14B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1	MC-0000009714	A20B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1	MC-0000009730	A21B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1	MC-0000009746	A22B2C10	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000009427	A2B3C10	110	100	110	37.154	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N	MC-0000009443	A3B3C10	110	100	110	42.658	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000009459	A4B3C10	110	100	110	69.183	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000009491	A6B3C10	110	100	110	69.183	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000009555	A10B3C10	110	100	110	100	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000009571	A11B3C10	110	100	99.91	57.544	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000009587	A12B3C10	110	100	110	64.565	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000009603	A13B3C10	110	100	110	50.119	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009619	A14B3C10	110	100	110	75.858	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000009699	A19B3C10	110	100	110	52.481	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000009731	A21B3C10	110	100	110	66.069	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000009747	A22B3C10	110	100	110	74.131	110
CO.CCCCCC=O.COCC[N+]#[C-].Nc1ccncc1	MC-0000009412	A1B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1	MC-0000009444	A3B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.Clc1ccc(C=O)cc1	MC-0000009460	A4B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].CC(C)CC=O.Nc1ccncc1	MC-0000009476	A5B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1ccco1	MC-0000009492	A6B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000009508	A7B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009524	A8B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000009540	A9B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=CCCc1ccccc1	MC-0000009636	A15B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].CSCCC=O.Nc1ccncc1	MC-0000009652	A16B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1ccncc1	MC-0000009668	A17B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1ccncc1	MC-0000009684	A18B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.OCc1ccc(C=O)o1	MC-0000009700	A19B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=CC=Cc1ccccc1	MC-0000009716	A20B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000009429	A2B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1	MC-0000009445	A3B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccco1	MC-0000009493	A6B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009525	A8B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000009541	A9B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000009557	A10B5C10	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000009605	A13B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009621	A14B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1	MC-0000009685	A18B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000009701	A19B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1	MC-0000009749	A22B5C10	110	100	110	110	110
CO.CCCCCC=O.COCC[N+]#[C-].Nc1cccnc1	MC-0000009414	A1B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1ccco1	MC-0000009494	A6B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000009510	A7B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009526	A8B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000009542	A9B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000009558	A10B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000009574	A11B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].CSCCC=O.Nc1cccnc1	MC-0000009654	A16B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1cccnc1	MC-0000009670	A17B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1cccnc1	MC-0000009686	A18B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=CC=Cc1ccccc1	MC-0000009718	A20B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000009431	A2B7C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccco1	MC-0000009495	A6B7C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000009511	A7B7C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000009559	A10B7C10	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].Nc1cccc(N)c1	MC-0000009607	A13B7C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009623	A14B7C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1	MC-0000009751	A22B7C10	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000009416	A1B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000009448	A3B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000009480	A5B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000009512	A7B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000009544	A9B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000009592	A12B8C10	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000009608	A13B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1	MC-0000009640	A15B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000009672	A17B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000009688	A18B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1	MC-0000009704	A19B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1	MC-0000009736	A21B8C10	110	100	110	110	110
Cl.CO.CCCCCC=O.COCC[N+]#[C-].NCc1cccc(N)c1	MC-0000009417	A1B9C10	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000009433	A2B9C10	110	100	110	60.256	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000009465	A4B9C10	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].CC(C)CC=O.NCc1cccc(N)c1	MC-0000009481	A5B9C10	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000009513	A7B9C10	110	100	110	74.131	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000009545	A9B9C10	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000009593	A12B9C10	110	100	110	44.668	110
Cl.CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].NCc1cccc(N)c1	MC-0000009609	A13B9C10	110	100	110	61.66	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009625	A14B9C10	110	100	110	50.119	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=CCCc1ccccc1	MC-0000009641	A15B9C10	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1	MC-0000009689	A18B9C10	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=CC1CCCCC1	MC-0000009737	A21B9C10	110	100	110	110	110
CO.CCCCCC=O.COCC[N+]#[C-].NCc1ccncc1	MC-0000009418	A1B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000009434	A2B10C10	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].NCc1ccncc1	MC-0000009610	A13B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009626	A14B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].CSCCC=O.NCc1ccncc1	MC-0000009658	A16B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1ccncc1	MC-0000009674	A17B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1ccncc1	MC-0000009690	A18B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=CC=Cc1ccccc1	MC-0000009722	A20B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=CC1CCCCC1	MC-0000009738	A21B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1	MC-0000009754	A22B10C10	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000009435	A2B11C10	110	100	72.64	13.804	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1	MC-0000009451	A3B11C10	110	100	79.66	29.512	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009531	A8B11C10	110	100	67.42	30.903	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000009563	A10B11C10	66.069	100	87.13	51.286	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000009579	A11B11C10	89.125	100	64.27	38.019	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000009595	A12B11C10	110	100	110	110	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000009611	A13B11C10	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009627	A14B11C10	41.687	100	56.44	25.704	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1	MC-0000009675	A17B11C10	110	100	99.73	38.019	110
Cl.Cl.CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1	MC-0000009691	A18B11C10	93.325	100	64.81	45.709	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000009707	A19B11C10	41.687	100	53.11	37.154	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000009723	A20B11C10	41.687	100	90.55	44.668	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CCCCC1	MC-0000009739	A21B11C10	110	100	79.3	39.811	110
CO.CCCCCC=O.COCC[N+]#[C-].NCc1cccnc1	MC-0000009420	A1B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000009436	A2B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000009516	A7B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000009596	A12B12C10	110	100	110	44.668	110
CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].NCc1cccnc1	MC-0000009612	A13B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009628	A14B12C10	85.114	100	110	34.674	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=CCCc1ccccc1	MC-0000009644	A15B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].CSCCC=O.NCc1cccnc1	MC-0000009660	A16B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1cccnc1	MC-0000009676	A17B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1cccnc1	MC-0000009692	A18B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=CC=Cc1ccccc1	MC-0000009724	A20B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=CC1CCCCC1	MC-0000009740	A21B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1	MC-0000009756	A22B12C10	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.COCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000009421	A1B13C10	27.542	100	110	23.442	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1	MC-0000009453	A3B13C10	77.625	100	110	25.119	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000009469	A4B13C10	46.774	100	110	31.623	110
Cl.Cl.CO.COCC[N+]#[C-].CC(C)CC=O.NC(=N)c1cccc(N)c1	MC-0000009485	A5B13C10	64.565	100	110	31.623	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccco1	MC-0000009501	A6B13C10	16.982	100	55.54	19.498	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009533	A8B13C10	57.544	100	99.91	36.308	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000009565	A10B13C10	42.658	100	110	67.608	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000009581	A11B13C10	40.738	100	99.91	30.903	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009629	A14B13C10	36.308	100	110	40.738	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCCc1ccccc1	MC-0000009645	A15B13C10	52.481	100	110	41.687	110
Cl.Cl.CO.COCC[N+]#[C-].CSCCC=O.NC(=N)c1cccc(N)c1	MC-0000009661	A16B13C10	36.308	100	87.76	37.154	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1	MC-0000009677	A17B13C10	61.66	100	110	33.113	110
Cl.Cl.CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1	MC-0000009693	A18B13C10	69.183	100	110	74.131	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000009709	A19B13C10	42.658	100	69.67	30.2	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000009725	A20B13C10	33.884	100	110	29.512	110
O.CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1	MC-0000009454	A3B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1	MC-0000009470	A4B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].CC(C)CC=O.NC(=O)c1ccc(N)nc1	MC-0000009486	A5B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009534	A8B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2	MC-0000009550	A9B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000009582	A11B14C10	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000009614	A13B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000009630	A14B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1	MC-0000009694	A18B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1	MC-0000009710	A19B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1	MC-0000009726	A20B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CCCCC1	MC-0000009742	A21B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1	MC-0000009758	A22B14C10	110	100	110	110	110
CO.CCCCCC=O.COCC[N+]#[C-].Nc1ccccc1	MC-0000009423	A1B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1	MC-0000009455	A3B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.Clc1ccc(C=O)cc1	MC-0000009471	A4B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1coc2ccccc2c1=O	MC-0000009519	A7B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2	MC-0000009551	A9B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000009583	A11B15C10	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.COCC[N+]#[C-].Nc1ccccc1	MC-0000009615	A13B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=CCCc1ccccc1	MC-0000009647	A15B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].CSCCC=O.Nc1ccccc1	MC-0000009663	A16B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1ccccc1	MC-0000009695	A18B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.OCc1ccc(C=O)o1	MC-0000009711	A19B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=CC=Cc1ccccc1	MC-0000009727	A20B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=CC1CCCCC1	MC-0000009743	A21B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1	MC-0000009759	A22B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000009472	A4B16C10	110	100	110	47.863	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000009504	A6B16C10	110	100	110	50.119	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000009536	A8B16C10	110	100	110	58.884	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000009568	A10B16C10	110	100	110	77.625	110
CO.COCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000009680	A17B16C10	110	100	110	64.565	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000009712	A19B16C10	110	100	110	53.703	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000009728	A20B16C10	110	100	110	53.703	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000009777	A24B1C10	110	100	110	52.481	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009809	A26B1C10	110	100	110	48.978	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O	MC-0000009825	A27B1C10	110	100	89.11	36.308	110
Cl.Cl.CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N	MC-0000009841	A28B1C10	110	100	110	53.703	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000009857	A29B1C10	110	100	110	63.096	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccs1	MC-0000009953	A35B1C10	110	100	110	57.544	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CC1	MC-0000010001	A38B1C10	110	100	110	57.544	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O	MC-0000010033	A40B1C10	67.608	100	110	50.119	110
Cl.Cl.CO.COCC[N+]#[C-].CC(=O)C=O.NCc1cccc(c1)C(=N)N	MC-0000010049	A41B1C10	110	100	110	38.019	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000010065	A42B1C10	110	100	110	48.978	110
O.Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.C=O	MC-0000010097	A44B1C10	110	100	110	66.069	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1	MC-0000009762	A23B2C10	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000009778	A24B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009810	A26B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O	MC-0000009826	A27B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O	MC-0000009842	A28B2C10	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000009858	A29B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O	MC-0000009938	A34B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC=O	MC-0000009986	A37B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O	MC-0000010050	A41B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000010066	A42B2C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O	MC-0000010082	A43B2C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.C=O	MC-0000010098	A44B2C10	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000009763	A23B3C10	110	100	110	28.184	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000009779	A24B3C10	110	100	110	57.544	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009811	A26B3C10	110	100	110	64.565	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000009827	A27B3C10	110	100	83.71	42.658	110
Cl.Cl.CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N	MC-0000009843	A28B3C10	110	100	110	64.565	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000009859	A29B3C10	110	100	110	70.795	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000009907	A32B3C10	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000009955	A35B3C10	110	100	110	63.096	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000009987	A37B3C10	100	100	55.72	29.512	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000010003	A38B3C10	110	100	110	70.795	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000010035	A40B3C10	110	100	110	95.499	110
Cl.Cl.CO.COCC[N+]#[C-].CC(=O)C=O.NCc1ccc(cc1)C(=N)N	MC-0000010051	A41B3C10	110	100	110	52.481	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000010067	A42B3C10	110	100	110	72.444	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N	MC-0000010083	A43B3C10	110	100	110	85.114	110
O.Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000010099	A44B3C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1	MC-0000009796	A25B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.OCC(O)C(O)CC=O	MC-0000009828	A27B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1	MC-0000009844	A28B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=CCc1ccccc1	MC-0000009892	A31B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1	MC-0000009940	A34B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=CC1CC1	MC-0000010004	A38B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010020	A39B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1C=O	MC-0000010036	A40B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].CC(=O)C=O.Nc1ccncc1	MC-0000010052	A41B4C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000009765	A23B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009813	A26B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1	MC-0000009845	A28B5C10	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000009861	A29B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccn1	MC-0000009909	A32B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1	MC-0000009941	A34B5C10	110	100	110	79.433	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccs1	MC-0000009957	A35B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.OCC=O	MC-0000009989	A37B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=CC1CC1	MC-0000010005	A38B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000010069	A42B5C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.NCc1ccc(N)cc1	MC-0000010085	A43B5C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NCc1ccc(N)cc1.C=O	MC-0000010101	A44B5C10	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].Nc1cccnc1	MC-0000009782	A24B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1	MC-0000009798	A25B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.OCC(O)C(O)CC=O	MC-0000009830	A27B6C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1ncc[nH]1	MC-0000009878	A30B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000009926	A33B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1	MC-0000009942	A34B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=CC1CC1	MC-0000010006	A38B6C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000009767	A23B7C10	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].Nc1cccc(N)c1	MC-0000009783	A24B7C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009815	A26B7C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1	MC-0000009847	A28B7C10	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].Nc1cccc(N)c1	MC-0000009863	A29B7C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=CCc1ccccc1	MC-0000009895	A31B7C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccn1	MC-0000009911	A32B7C10	110	100	110	110	110
CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1	MC-0000009943	A34B7C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccs1	MC-0000009959	A35B7C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000010071	A42B7C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].Nc1cccc(N)c1.C=O	MC-0000010103	A44B7C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1	MC-0000009768	A23B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000009800	A25B8C10	110	100	110	110	110
O.O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1	MC-0000009880	A30B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1	MC-0000009896	A31B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000009944	A34B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC=O	MC-0000009992	A37B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1	MC-0000010008	A38B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O	MC-0000010040	A40B8C10	110	100	110	110	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010088	A43B8C10	110	100	110	110	110
O.O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.C=O	MC-0000010104	A44B8C10	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000009769	A23B9C10	110	100	110	52.481	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009817	A26B9C10	110	100	110	72.444	110
Cl.CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].NCc1cccc(N)c1	MC-0000009865	A29B9C10	110	100	110	44.668	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=CCc1ccccc1	MC-0000009897	A31B9C10	110	100	110	91.201	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccn1	MC-0000009913	A32B9C10	110	100	110	53.703	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000009929	A33B9C10	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccs1	MC-0000009961	A35B9C10	110	100	110	72.444	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=CC1CC1	MC-0000010009	A38B9C10	110	100	110	110	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000010073	A42B9C10	110	100	110	83.176	110
Cl.CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.NCc1cccc(N)c1	MC-0000010089	A43B9C10	110	100	110	58.884	110
O.Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.C=O	MC-0000010105	A44B9C10	110	100	110	56.234	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc[nH]1	MC-0000009770	A23B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1	MC-0000009802	A25B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.OCC(O)C(O)CC=O	MC-0000009834	A27B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=CCc1ccccc1	MC-0000009898	A31B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1ccccn1	MC-0000009914	A32B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000009930	A33B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1cccs1	MC-0000009962	A35B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010026	A39B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000010074	A42B10C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.NCc1ccncc1	MC-0000010090	A43B10C10	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000009771	A23B11C10	110	100	39.16	20.417	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000009787	A24B11C10	110	100	73.45	21.878	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1	MC-0000009803	A25B11C10	77.625	75.8	49.42	32.359	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009819	A26B11C10	95.499	100	66.79	34.674	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000009835	A27B11C10	110	100	36.91	33.884	110
Cl.Cl.CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1	MC-0000009851	A28B11C10	110	100	61.12	21.878	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCc1ccccc1	MC-0000009899	A31B11C10	110	100	44.83	45.709	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccn1	MC-0000009915	A32B11C10	110	100	80.74	54.954	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000009931	A33B11C10	110	100	50.14	37.154	110
Cl.Cl.CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1	MC-0000009947	A34B11C10	36.308	100	46	17.783	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccs1	MC-0000009963	A35B11C10	110	100	42.22	38.019	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CC1	MC-0000010011	A38B11C10	110	100	110	69.183	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000010043	A40B11C10	110	100	110	38.019	87.096
Cl.Cl.CO.COCC[N+]#[C-].CC(=O)C=O.NC(=N)c1ccc(N)cc1	MC-0000010059	A41B11C10	74.131	100	40.06	27.542	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000010075	A42B11C10	110	100	66.07	33.884	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1	MC-0000010091	A43B11C10	110	100	78.85	47.863	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc[nH]1	MC-0000009772	A23B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.OCC(O)C(O)CC=O	MC-0000009836	A27B12C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1ncc[nH]1	MC-0000009884	A30B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1ccccn1	MC-0000009916	A32B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000009932	A33B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.OCC=O	MC-0000009996	A37B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010028	A39B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1C=O	MC-0000010044	A40B12C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.NCc1cccnc1	MC-0000010092	A43B12C10	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000009773	A23B13C10	110	100	80.29	8.71	110
Cl.Cl.CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1	MC-0000009805	A25B13C10	31.623	87.6	83.35	31.623	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009821	A26B13C10	30.2	100	110	26.303	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000009837	A27B13C10	110	100	67.15	33.884	110
Cl.Cl.CO.COCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1	MC-0000009853	A28B13C10	58.884	100	110	30.2	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000009869	A29B13C10	52.481	100	110	33.113	110
O.Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000009885	A30B13C10	77.625	100	110	31.623	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCc1ccccc1	MC-0000009901	A31B13C10	35.481	100	59.14	35.481	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000009933	A33B13C10	45.709	65.6	110	31.623	110
Cl.Cl.CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1	MC-0000009949	A34B13C10	32.359	81.8	83.08	20.893	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccs1	MC-0000009965	A35B13C10	53.703	100	61.66	25.119	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CC1	MC-0000010013	A38B13C10	53.703	100	110	30.903	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010029	A39B13C10	35.481	93.2	97.57	30.2	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000010045	A40B13C10	87.096	100	110	39.811	110
Cl.Cl.CO.COCC[N+]#[C-].CC(=O)C=O.NC(=N)c1cccc(N)c1	MC-0000010061	A41B13C10	54.954	100	110	26.303	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000010077	A42B13C10	41.687	100	90.01	32.359	110
O.Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.C=O	MC-0000010109	A44B13C10	22.909	74.7	53.02	19.953	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1	MC-0000009774	A23B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009822	A26B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O	MC-0000009838	A27B14C10	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000009870	A29B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccn1	MC-0000009918	A32B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccs1	MC-0000009966	A35B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC=O	MC-0000009998	A37B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CC1	MC-0000010014	A38B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O	MC-0000010046	A40B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].CC(=O)C=O.NC(=O)c1ccc(N)nc1	MC-0000010062	A41B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1	MC-0000010078	A42B14C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1	MC-0000010094	A43B14C10	110	100	110	110	110
O.O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.C=O	MC-0000010110	A44B14C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc[nH]1	MC-0000009775	A23B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1	MC-0000009807	A25B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.OCC(O)C(O)CC=O	MC-0000009839	A27B15C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1ncc[nH]1	MC-0000009887	A30B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=CCc1ccccc1	MC-0000009903	A31B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1ccccn1	MC-0000009919	A32B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.Clc1nc2ccccc2cc1C=O	MC-0000009935	A33B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1	MC-0000009951	A34B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.OCC=O	MC-0000009999	A37B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1C=O	MC-0000010047	A40B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].COc1cccc(C=O)c1OC.Nc1ccccc1	MC-0000010095	A43B15C10	110	100	110	110	110
O.CO.COCC[N+]#[C-].Nc1ccccc1.C=O	MC-0000010111	A44B15C10	110	100	110	110	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000009776	A23B16C10	110	100	110	28.84	110
CO.CCOC(=O)C1CC1C=O.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000009792	A24B16C10	110	100	110	39.811	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000009824	A26B16C10	110	100	110	87.096	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000009840	A27B16C10	110	100	110	37.154	110
CO.CCOC(=O)C=C(C)C=O.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000009872	A29B16C10	110	100	110	64.565	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000009936	A33B16C10	110	100	110	67.608	110
CO.COCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000009952	A34B16C10	110	100	110	38.019	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000009968	A35B16C10	110	100	110	52.481	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000010016	A38B16C10	110	100	110	83.176	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000010048	A40B16C10	110	100	110	48.978	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000010080	A42B16C10	110	100	110	58.884	110
Cl.Cl.CO.CCCCCC=O.C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010113	A1B1C11	110	100	110	23.988	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010145	A3B1C11	110	100	110	46.774	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000010161	A4B1C11	110	100	110	47.863	110
Cl.Cl.CO.C[N+]#[C-].CC(C)CC=O.NCc1cccc(c1)C(=N)N	MC-0000010177	A5B1C11	110	100	110	72.444	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000010209	A7B1C11	110	100	110	54.954	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000010241	A9B1C11	110	100	110	60.256	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000010273	A11B1C11	110	100	110	52.481	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000010289	A12B1C11	110	100	110	37.154	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1	MC-0000010337	A15B1C11	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010385	A18B1C11	110	100	110	50.119	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1	MC-0000010401	A19B1C11	110	100	110	51.286	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1	MC-0000010417	A20B1C11	110	100	110	34.674	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1	MC-0000010449	A22B1C11	110	100	110	39.811	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1	MC-0000010162	A4B2C11	110	100	110	110	110
CO.C[N+]#[C-].CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O	MC-0000010178	A5B2C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000010210	A7B2C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000010274	A11B2C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000010290	A12B2C11	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010306	A13B2C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1	MC-0000010338	A15B2C11	110	100	110	110	110
CO.CSCCC=O.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010354	A16B2C11	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010370	A17B2C11	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010386	A18B2C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1	MC-0000010402	A19B2C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1	MC-0000010418	A20B2C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1	MC-0000010434	A21B2C11	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010147	A3B3C11	110	100	110	52.481	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000010163	A4B3C11	110	100	110	57.544	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000010211	A7B3C11	110	100	110	54.954	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000010243	A9B3C11	110	100	110	67.608	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000010275	A11B3C11	110	100	110	56.234	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000010291	A12B3C11	110	100	110	42.658	110
Cl.Cl.CO.CSCCC=O.C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010355	A16B3C11	110	100	110	53.703	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010371	A17B3C11	110	100	110	64.565	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010387	A18B3C11	110	100	110	63.096	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000010419	A20B3C11	110	100	110	54.954	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000010435	A21B3C11	110	100	110	60.256	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000010451	A22B3C11	110	100	110	63.096	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000010132	A2B4C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1ccco1	MC-0000010196	A6B4C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000010212	A7B4C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010228	A8B4C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000010292	A12B4C11	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].Nc1ccncc1	MC-0000010308	A13B4C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=CC1CCCCC1	MC-0000010436	A21B4C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1	MC-0000010452	A22B4C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000010133	A2B5C11	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010149	A3B5C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000010165	A4B5C11	110	100	110	110	110
CO.C[N+]#[C-].CC(C)CC=O.NCc1ccc(N)cc1	MC-0000010181	A5B5C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010277	A11B5C11	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010309	A13B5C11	110	100	110	110	110
CO.CSCCC=O.C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010357	A16B5C11	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010373	A17B5C11	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010389	A18B5C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000010405	A19B5C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000010421	A20B5C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=CC1CCCCC1	MC-0000010437	A21B5C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000010134	A2B6C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010230	A8B6C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010262	A10B6C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000010294	A12B6C11	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].Nc1cccnc1	MC-0000010310	A13B6C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010326	A14B6C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=CC1CCCCC1	MC-0000010438	A21B6C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1	MC-0000010454	A22B6C11	110	100	110	110	110
CO.CCCCCC=O.C[N+]#[C-].Nc1cccc(N)c1	MC-0000010119	A1B7C11	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].Nc1cccc(N)c1	MC-0000010151	A3B7C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000010167	A4B7C11	110	100	110	110	110
CO.C[N+]#[C-].CC(C)CC=O.Nc1cccc(N)c1	MC-0000010183	A5B7C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000010215	A7B7C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010231	A8B7C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000010247	A9B7C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=CCCc1ccccc1	MC-0000010343	A15B7C11	110	100	110	110	110
CO.CSCCC=O.C[N+]#[C-].Nc1cccc(N)c1	MC-0000010359	A16B7C11	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].Nc1cccc(N)c1	MC-0000010375	A17B7C11	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].Nc1cccc(N)c1	MC-0000010391	A18B7C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000010423	A20B7C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000010136	A2B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1	MC-0000010168	A4B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010184	A5B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1	MC-0000010200	A6B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000010216	A7B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010232	A8B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000010248	A9B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000010264	A10B8C11	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010312	A13B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010328	A14B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1	MC-0000010440	A21B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1	MC-0000010456	A22B8C11	110	100	110	110	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].NCc1cccc(N)c1	MC-0000010153	A3B9C11	110	100	110	52.481	110
Cl.CO.C[N+]#[C-].CC(C)CC=O.NCc1cccc(N)c1	MC-0000010185	A5B9C11	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccco1	MC-0000010201	A6B9C11	110	100	110	11.482	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010233	A8B9C11	110	100	110	66.069	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000010249	A9B9C11	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].NCc1cccc(N)c1	MC-0000010313	A13B9C11	110	100	110	110	110
Cl.CO.CSCCC=O.C[N+]#[C-].NCc1cccc(N)c1	MC-0000010361	A16B9C11	110	100	110	40.738	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].NCc1cccc(N)c1	MC-0000010393	A18B9C11	110	100	110	61.66	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000010425	A20B9C11	110	100	110	51.286	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=CC1CCCCC1	MC-0000010441	A21B9C11	110	100	110	110	110
CO.CCCCCC=O.C[N+]#[C-].NCc1ccncc1	MC-0000010122	A1B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000010138	A2B10C11	110	100	110	110	110
CO.C[N+]#[C-].CC(C)CC=O.NCc1ccncc1	MC-0000010186	A5B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1ccco1	MC-0000010202	A6B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010234	A8B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010250	A9B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010266	A10B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010282	A11B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=CCCc1ccccc1	MC-0000010346	A15B10C11	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].NCc1ccncc1	MC-0000010378	A17B10C11	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].NCc1ccncc1	MC-0000010394	A18B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.OCc1ccc(C=O)o1	MC-0000010410	A19B10C11	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010123	A1B11C11	58.884	100	73.72	16.982	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000010139	A2B11C11	110	100	67.42	25.119	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010155	A3B11C11	110	100	110	32.359	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000010171	A4B11C11	110	100	68.77	31.623	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccco1	MC-0000010203	A6B11C11	51.286	100	63.19	26.915	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010235	A8B11C11	110	100	68.41	35.481	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010267	A10B11C11	64.565	100	93.52	41.687	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000010299	A12B11C11	69.183	100	50.59	20.893	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010315	A13B11C11	110	100	110	69.183	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010331	A14B11C11	47.863	100	93.79	38.905	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1	MC-0000010347	A15B11C11	110	100	99.91	42.658	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010379	A17B11C11	110	100	80.2	28.84	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010395	A18B11C11	110	100	71.56	37.154	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CCCCC1	MC-0000010443	A21B11C11	110	100	76.15	33.113	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1	MC-0000010459	A22B11C11	110	100	77.68	37.154	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000010140	A2B12C11	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].NCc1cccnc1	MC-0000010156	A3B12C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.Clc1ccc(C=O)cc1	MC-0000010172	A4B12C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010236	A8B12C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010252	A9B12C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010268	A10B12C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010284	A11B12C11	110	100	110	110	110
CO.CSCCC=O.C[N+]#[C-].NCc1cccnc1	MC-0000010364	A16B12C11	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].NCc1cccnc1	MC-0000010380	A17B12C11	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[N+]#[C-].NCc1cccnc1	MC-0000010396	A18B12C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=CC=Cc1ccccc1	MC-0000010428	A20B12C11	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010125	A1B13C11	30.903	100	110	15.488	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000010301	A12B13C11	38.905	100	99.91	28.184	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010317	A13B13C11	54.954	100	110	57.544	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010333	A14B13C11	40.738	100	110	42.658	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCCc1ccccc1	MC-0000010349	A15B13C11	64.565	100	110	38.905	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CCCCC1	MC-0000010445	A21B13C11	52.481	100	110	37.154	110
O.CO.CCCCCC=O.C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010126	A1B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12	MC-0000010142	A2B14C11	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010158	A3B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1	MC-0000010174	A4B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].CC(C)CC=O.NC(=O)c1ccc(N)nc1	MC-0000010190	A5B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O	MC-0000010222	A7B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1	MC-0000010302	A12B14C11	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010318	A13B14C11	110	100	110	110	110
O.CO.CSCCC=O.C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010366	A16B14C11	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010382	A17B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1	MC-0000010414	A19B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1	MC-0000010430	A20B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CCCCC1	MC-0000010446	A21B14C11	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[N+]#[C-].Nc1ccccc1	MC-0000010159	A3B15C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.Clc1ccc(C=O)cc1	MC-0000010175	A4B15C11	110	100	110	110	110
CO.C[N+]#[C-].CC(C)CC=O.Nc1ccccc1	MC-0000010191	A5B15C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1ccco1	MC-0000010207	A6B15C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1coc2ccccc2c1=O	MC-0000010223	A7B15C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010255	A9B15C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010271	A10B15C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1ccc2ccccc2c1	MC-0000010303	A12B15C11	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].Nc1ccccc1	MC-0000010319	A13B15C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000010335	A14B15C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.OCc1ccc(C=O)o1	MC-0000010415	A19B15C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=CC1CCCCC1	MC-0000010447	A21B15C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1	MC-0000010463	A22B15C11	110	100	110	110	110
CO.CCCCCC=O.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010128	A1B16C11	110	100	110	37.154	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000010144	A2B16C11	110	100	110	72.444	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000010224	A7B16C11	110	100	110	60.256	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000010304	A12B16C11	110	100	110	39.811	110
CO.CCCOc1ccc(C=O)cc1.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010320	A13B16C11	110	100	110	83.176	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000010352	A15B16C11	110	100	110	100	110
CO.CSCCC=O.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010368	A16B16C11	110	100	99.91	56.234	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000010464	A22B16C11	110	100	110	66.069	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1	MC-0000010465	A23B1C11	110	100	110	26.303	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010497	A25B1C11	110	100	110	61.66	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O	MC-0000010529	A27B1C11	110	100	110	31.623	110
O.Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1	MC-0000010577	A30B1C11	110	100	110	22.909	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCc1ccccc1	MC-0000010593	A31B1C11	110	100	110	52.481	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccn1	MC-0000010609	A32B1C11	110	100	110	48.978	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000010625	A33B1C11	110	100	110	45.709	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC=O	MC-0000010689	A37B1C11	110	100	110	20.893	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010721	A39B1C11	110	100	110	43.652	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010785	A43B1C11	110	100	110	54.954	110
O.Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.C=O	MC-0000010801	A44B1C11	110	100	110	45.709	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1	MC-0000010466	A23B2C11	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010498	A25B2C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O	MC-0000010530	A27B2C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1	MC-0000010578	A30B2C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1	MC-0000010594	A31B2C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1	MC-0000010610	A32B2C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000010626	A33B2C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC=O	MC-0000010690	A37B2C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CC1	MC-0000010706	A38B2C11	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010786	A43B2C11	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010483	A24B3C11	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010499	A25B3C11	110	100	110	72.444	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000010531	A27B3C11	110	100	110	30.903	110
O.Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000010579	A30B3C11	110	100	110	37.154	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000010595	A31B3C11	110	100	110	72.444	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000010611	A32B3C11	110	100	110	46.774	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010723	A39B3C11	110	100	110	56.234	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010787	A43B3C11	110	100	110	50.119	110
O.Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000010803	A44B3C11	110	100	110	58.884	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1ccc[nH]1	MC-0000010468	A23B4C11	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].Nc1ccncc1	MC-0000010548	A28B4C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=CCc1ccccc1	MC-0000010596	A31B4C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1ccccn1	MC-0000010612	A32B4C11	110	100	110	110	110
CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1	MC-0000010644	A34B4C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.OCC=O	MC-0000010692	A37B4C11	110	100	110	110	110
CO.C[N+]#[C-].CC(=O)C=O.Nc1ccncc1	MC-0000010756	A41B4C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000010772	A42B4C11	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[N+]#[C-].Nc1ccncc1	MC-0000010788	A43B4C11	110	100	110	110	110
O.CO.C[N+]#[C-].Nc1ccncc1.C=O	MC-0000010804	A44B4C11	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010501	A25B5C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000010533	A27B5C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccn1	MC-0000010613	A32B5C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000010629	A33B5C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.OCC=O	MC-0000010693	A37B5C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010725	A39B5C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000010741	A40B5C11	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010789	A43B5C11	110	100	110	110	110
O.CO.C[N+]#[C-].NCc1ccc(N)cc1.C=O	MC-0000010805	A44B5C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1ccc[nH]1	MC-0000010470	A23B6C11	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].Nc1cccnc1	MC-0000010486	A24B6C11	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].Nc1cccnc1	MC-0000010550	A28B6C11	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].Nc1cccnc1	MC-0000010566	A29B6C11	110	100	110	110	110
CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1	MC-0000010646	A34B6C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1cccs1	MC-0000010662	A35B6C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.OCC=O	MC-0000010694	A37B6C11	110	100	110	110	110
CO.C[N+]#[C-].CC(=O)C=O.Nc1cccnc1	MC-0000010758	A41B6C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000010774	A42B6C11	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[N+]#[C-].Nc1cccnc1	MC-0000010790	A43B6C11	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].Nc1cccc(N)c1	MC-0000010487	A24B7C11	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].Nc1cccc(N)c1	MC-0000010503	A25B7C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000010535	A27B7C11	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].Nc1cccc(N)c1	MC-0000010551	A28B7C11	110	100	110	110	110
O.CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000010583	A30B7C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=CCc1ccccc1	MC-0000010599	A31B7C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000010631	A33B7C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=CC1CC1	MC-0000010711	A38B7C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010727	A39B7C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010520	A26B8C11	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010568	A29B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1	MC-0000010600	A31B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010648	A34B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC=O	MC-0000010696	A37B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1	MC-0000010712	A38B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000010776	A42B8C11	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000010792	A43B8C11	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010521	A26B9C11	110	100	110	70.795	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000010537	A27B9C11	110	100	110	89.125	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].NCc1cccc(N)c1	MC-0000010553	A28B9C11	110	100	110	72.444	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000010633	A33B9C11	110	100	110	85.114	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010729	A39B9C11	110	100	110	39.811	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000010745	A40B9C11	110	100	110	110	110
Cl.CO.C[N+]#[C-].CC(=O)C=O.NCc1cccc(N)c1	MC-0000010761	A41B9C11	110	100	110	18.621	110
CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].NCc1ccncc1	MC-0000010490	A24B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010522	A26B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.OCC(O)C(O)CC=O	MC-0000010538	A27B10C11	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].NCc1ccncc1	MC-0000010554	A28B10C11	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].NCc1ccncc1	MC-0000010570	A29B10C11	110	100	110	110	110
O.CO.C[N+]#[C-].NCc1ccncc1.O=Cc1ncc[nH]1	MC-0000010586	A30B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000010634	A33B10C11	110	100	110	110	110
CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1	MC-0000010650	A34B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1cccs1	MC-0000010666	A35B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=CC1CC1	MC-0000010714	A38B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010730	A39B10C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000010778	A42B10C11	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010491	A24B11C11	110	100	99.91	30.2	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010523	A26B11C11	52.481	100	66.7	21.878	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000010539	A27B11C11	100	100	59.59	28.84	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCc1ccccc1	MC-0000010603	A31B11C11	110	100	83.71	58.884	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccn1	MC-0000010619	A32B11C11	110	100	52.66	27.542	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccs1	MC-0000010667	A35B11C11	110	100	99.91	45.709	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC=O	MC-0000010699	A37B11C11	40.738	100	42.49	21.878	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000010779	A42B11C11	100	100	58.42	31.623	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010795	A43B11C11	110	100	82.72	26.303	110
O.Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.C=O	MC-0000010811	A44B11C11	52.481	100	19.36	19.953	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010524	A26B12C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.OCC(O)C(O)CC=O	MC-0000010540	A27B12C11	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].NCc1cccnc1	MC-0000010556	A28B12C11	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].NCc1cccnc1	MC-0000010572	A29B12C11	110	100	110	110	110
O.CO.C[N+]#[C-].NCc1cccnc1.O=Cc1ncc[nH]1	MC-0000010588	A30B12C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000010636	A33B12C11	110	100	110	110	110
CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1	MC-0000010652	A34B12C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1cccs1	MC-0000010668	A35B12C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010732	A39B12C11	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1C=O	MC-0000010748	A40B12C11	110	100	110	110	110
CO.C[N+]#[C-].CC(=O)C=O.NCc1cccnc1	MC-0000010764	A41B12C11	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000010477	A23B13C11	77.625	100	99.91	18.621	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010509	A25B13C11	39.811	100	110	46.774	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010525	A26B13C11	38.905	100	110	30.903	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010573	A29B13C11	16.596	100	110	16.218	110
O.Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000010589	A30B13C11	100	100	110	30.903	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCc1ccccc1	MC-0000010605	A31B13C11	14.125	100	110	33.884	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccn1	MC-0000010621	A32B13C11	38.019	100	110	24.547	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000010637	A33B13C11	35.481	100	110	18.197	110
Cl.Cl.CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1	MC-0000010653	A34B13C11	51.286	100	82.72	13.183	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.OCC=O	MC-0000010701	A37B13C11	14.791	86	65.44	6.31	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010733	A39B13C11	10	61.3	99.91	14.125	110
O.Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.C=O	MC-0000010813	A44B13C11	36.308	100	84.7	23.988	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1	MC-0000010478	A23B14C11	110	100	110	110	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010510	A25B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O	MC-0000010542	A27B14C11	110	100	110	110	110
O.O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1	MC-0000010590	A30B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCc1ccccc1	MC-0000010606	A31B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccn1	MC-0000010622	A32B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O	MC-0000010638	A33B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC=O	MC-0000010702	A37B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CC1	MC-0000010718	A38B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000010734	A39B14C11	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O	MC-0000010750	A40B14C11	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010798	A43B14C11	110	100	110	110	110
O.O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.C=O	MC-0000010814	A44B14C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000010527	A26B15C11	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[N+]#[C-].Nc1ccccc1	MC-0000010559	A28B15C11	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[N+]#[C-].Nc1ccccc1	MC-0000010575	A29B15C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=CCc1ccccc1	MC-0000010607	A31B15C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1ccccn1	MC-0000010623	A32B15C11	110	100	110	110	110
CO.C[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1	MC-0000010655	A34B15C11	110	100	110	110	110
CO.C[N+]#[C-].CC(=O)C=O.Nc1ccccc1	MC-0000010767	A41B15C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1ccc2OCOc2c1	MC-0000010783	A42B15C11	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[N+]#[C-].Nc1ccccc1	MC-0000010799	A43B15C11	110	100	110	110	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000010480	A23B16C11	110	100	110	37.154	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000010512	A25B16C11	110	100	110	56.234	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000010544	A27B16C11	110	100	110	46.774	110
O.CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000010592	A30B16C11	110	100	110	50.119	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000010608	A31B16C11	110	100	99.91	44.668	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000010624	A32B16C11	110	100	110	45.709	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000010640	A33B16C11	110	100	110	56.234	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000010672	A35B16C11	110	100	110	56.234	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000010720	A38B16C11	110	100	110	110	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000010752	A40B16C11	110	100	110	36.308	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000010784	A42B16C11	110	100	110	52.481	110
O.CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O	MC-0000010816	A44B16C11	110	100	110	66.069	110
Cl.Cl.CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010817	A1B1C12	110	100	110	53.703	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010849	A3B1C12	110	100	110	46.774	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000010865	A4B1C12	110	100	110	57.544	110
Cl.Cl.CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000010881	A5B1C12	110	100	110	57.544	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccco1	MC-0000010897	A6B1C12	110	100	110	63.096	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000010913	A7B1C12	110	100	110	60.256	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010929	A8B1C12	110	100	110	51.286	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000010977	A11B1C12	110	100	71.92	53.703	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1	MC-0000011041	A15B1C12	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011073	A17B1C12	110	100	110	34.674	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1	MC-0000011105	A19B1C12	110	100	110	44.668	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1	MC-0000011121	A20B1C12	110	100	110	33.113	110
CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010818	A1B2C12	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010850	A3B2C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1	MC-0000010866	A4B2C12	110	100	110	110	110
CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000010882	A5B2C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1	MC-0000010898	A6B2C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000010914	A7B2C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000010946	A9B2C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000010962	A10B2C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000010978	A11B2C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1	MC-0000011042	A15B2C12	110	100	110	110	110
CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011058	A16B2C12	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011074	A17B2C12	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011090	A18B2C12	110	100	110	110	9.772
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1	MC-0000011106	A19B2C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1	MC-0000011154	A22B2C12	110	100	110	110	3.981
Cl.Cl.CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010819	A1B3C12	110	100	110	51.286	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000010867	A4B3C12	110	100	110	54.954	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000010899	A6B3C12	110	100	110	51.286	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000010947	A9B3C12	110	100	110	60.256	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000011043	A15B3C12	110	100	110	69.183	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011075	A17B3C12	110	100	110	61.66	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011091	A18B3C12	110	100	110	69.183	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000011123	A20B3C12	110	100	110	53.703	110
CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000010820	A1B4C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000010836	A2B4C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000010916	A7B4C12	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000011012	A13B4C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011028	A14B4C12	110	100	110	110	110
CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000011060	A16B4C12	110	100	110	110	100
CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000011076	A17B4C12	110	100	110	110	110
CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010821	A1B5C12	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010853	A3B5C12	110	100	110	110	110
CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000010885	A5B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccco1	MC-0000010901	A6B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000010917	A7B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010933	A8B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010949	A9B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010965	A10B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010981	A11B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=CCCc1ccccc1	MC-0000011045	A15B5C12	110	100	110	110	110
CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011061	A16B5C12	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011077	A17B5C12	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011093	A18B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000010838	A2B6C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000010998	A12B6C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011030	A14B6C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=CCCc1ccccc1	MC-0000011046	A15B6C12	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000011078	A17B6C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=CC1CCCCC1	MC-0000011142	A21B6C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1	MC-0000011158	A22B6C12	110	100	110	110	110
CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000010823	A1B7C12	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000010855	A3B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000010871	A4B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccco1	MC-0000010903	A6B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010935	A8B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000010951	A9B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010967	A10B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010983	A11B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=CCCc1ccccc1	MC-0000011047	A15B7C12	110	100	110	110	110
CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011063	A16B7C12	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011079	A17B7C12	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011095	A18B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000011111	A19B7C12	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000010840	A2B8C12	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1	MC-0000010904	A6B8C12	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000010920	A7B8C12	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000010968	A10B8C12	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000011000	A12B8C12	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011032	A14B8C12	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1	MC-0000011144	A21B8C12	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000010841	A2B9C12	110	100	110	60.256	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000010873	A4B9C12	110	100	110	74.131	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccco1	MC-0000010905	A6B9C12	110	100	110	26.303	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000010921	A7B9C12	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010937	A8B9C12	110	100	110	89.125	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010969	A10B9C12	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011033	A14B9C12	110	100	110	77.625	110
Cl.CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011065	A16B9C12	110	100	110	83.176	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011097	A18B9C12	110	100	110	85.114	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000011113	A19B9C12	110	100	110	48.978	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000011129	A20B9C12	110	100	110	48.978	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=CC1CCCCC1	MC-0000011145	A21B9C12	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1	MC-0000011161	A22B9C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000010842	A2B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.Clc1ccc(C=O)cc1	MC-0000010874	A4B10C12	110	100	110	110	110
CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000010890	A5B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1ccco1	MC-0000010906	A6B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010938	A8B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010954	A9B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010970	A10B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010986	A11B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000011002	A12B10C12	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000011018	A13B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011034	A14B10C12	110	100	110	110	100
CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000011066	A16B10C12	110	100	110	110	3.631
CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000011098	A18B10C12	110	100	110	110	7.079
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=CC1CCCCC1	MC-0000011146	A21B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1	MC-0000011162	A22B10C12	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000010827	A1B11C12	64.565	100	50.77	33.884	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000010875	A4B11C12	77.625	100	55.09	29.512	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000010923	A7B11C12	110	100	64.27	53.703	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010939	A8B11C12	110	100	80.11	44.668	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010955	A9B11C12	28.84	100	51.31	83.176	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011035	A14B11C12	45.709	100	67.51	33.884	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1	MC-0000011051	A15B11C12	110	100	75.7	58.884	110
Cl.Cl.CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011067	A16B11C12	110	100	78.22	39.811	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011083	A17B11C12	87.096	100	66.16	34.674	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011099	A18B11C12	81.283	100	60.67	35.481	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CCCCC1	MC-0000011147	A21B11C12	100	100	60.04	42.658	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000010844	A2B12C12	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000010860	A3B12C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010956	A9B12C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010988	A11B12C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000011004	A12B12C12	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000011020	A13B12C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011036	A14B12C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=CC1CCCCC1	MC-0000011148	A21B12C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1	MC-0000011164	A22B12C12	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000010829	A1B13C12	33.113	100	110	37.154	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000010845	A2B13C12	28.184	100	110	25.119	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccco1	MC-0000010909	A6B13C12	9.12	100	55.81	14.125	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000010925	A7B13C12	41.687	100	110	57.544	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000010957	A9B13C12	26.915	100	110	69.183	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000010989	A11B13C12	27.542	100	99.91	30.2	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000011005	A12B13C12	31.623	100	110	33.884	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCCc1ccccc1	MC-0000011053	A15B13C12	47.863	100	110	43.652	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011085	A17B13C12	53.703	100	110	30.2	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011101	A18B13C12	46.774	100	110	48.978	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000011133	A20B13C12	33.884	100	110	30.2	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CCCCC1	MC-0000011149	A21B13C12	63.096	100	110	81.283	110
O.CO.CCCCCC=O.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010830	A1B14C12	110	100	110	110	110
O.CO.CC(C)CC=O.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000010894	A5B14C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O	MC-0000010926	A7B14C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000010942	A8B14C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2	MC-0000010958	A9B14C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010974	A10B14C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1	MC-0000011054	A15B14C12	110	100	110	110	110
O.CO.CSCCC=O.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011070	A16B14C12	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011086	A17B14C12	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011102	A18B14C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1	MC-0000011134	A20B14C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1c[nH]c2ccccc12	MC-0000010847	A2B15C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1ccco1	MC-0000010911	A6B15C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000010975	A10B15C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc2ccccc2c1	MC-0000011007	A12B15C12	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000011023	A13B15C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011039	A14B15C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=CC1CCCCC1	MC-0000011151	A21B15C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1	MC-0000011167	A22B15C12	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010832	A1B16C12	110	100	110	39.811	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010864	A3B16C12	110	100	110	61.66	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000010896	A5B16C12	110	100	110	63.096	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000010960	A9B16C12	110	100	110	46.774	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000010992	A11B16C12	110	100	83.71	69.183	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000011008	A12B16C12	110	100	110	42.658	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011024	A13B16C12	110	100	110	67.608	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011072	A16B16C12	110	100	65.35	57.544	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011088	A17B16C12	110	100	110	38.905	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000011120	A19B16C12	110	100	110	44.668	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000011136	A20B16C12	110	100	110	47.863	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000011152	A21B16C12	110	100	110	63.096	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011185	A24B1C12	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O	MC-0000011233	A27B1C12	110	100	110	53.703	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011249	A28B1C12	110	100	110	54.954	110
O.Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1	MC-0000011281	A30B1C12	110	100	110	26.915	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000011329	A33B1C12	110	100	110	41.687	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccs1	MC-0000011361	A35B1C12	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011425	A39B1C12	110	100	110	52.481	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O	MC-0000011441	A40B1C12	57.544	100	110	44.668	110
Cl.Cl.CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011457	A41B1C12	110	100	110	28.184	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011202	A25B2C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O	MC-0000011234	A27B2C12	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011250	A28B2C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1	MC-0000011282	A30B2C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1	MC-0000011298	A31B2C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000011330	A33B2C12	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011346	A34B2C12	110	100	110	110	110
CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011458	A41B2C12	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011187	A24B3C12	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011203	A25B3C12	110	100	110	75.858	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000011235	A27B3C12	110	100	110	33.884	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011251	A28B3C12	110	100	110	40.738	110
O.Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000011283	A30B3C12	110	100	110	45.709	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000011299	A31B3C12	110	100	110	53.703	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000011331	A33B3C12	110	100	110	64.565	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011347	A34B3C12	110	100	70.48	23.988	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011427	A39B3C12	110	100	110	51.286	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000011443	A40B3C12	97.724	100	110	56.234	110
Cl.Cl.CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011459	A41B3C12	110	100	110	42.658	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc[nH]1	MC-0000011172	A23B4C12	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000011204	A25B4C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011220	A26B4C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=CCc1ccccc1	MC-0000011300	A31B4C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1ccccn1	MC-0000011316	A32B4C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000011332	A33B4C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1cccs1	MC-0000011364	A35B4C12	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1	MC-0000011492	A43B4C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.C=O	MC-0000011508	A44B4C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000011237	A27B5C12	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011253	A28B5C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000011285	A30B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=CCc1ccccc1	MC-0000011301	A31B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000011333	A33B5C12	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011349	A34B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=CC1CC1	MC-0000011413	A38B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000011445	A40B5C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc[nH]1	MC-0000011174	A23B6C12	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000011206	A25B6C12	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1	MC-0000011270	A29B6C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1ncc[nH]1	MC-0000011286	A30B6C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1cccs1	MC-0000011366	A35B6C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.OCC=O	MC-0000011398	A37B6C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000011478	A42B6C12	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011191	A24B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011223	A26B7C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000011287	A30B7C12	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011351	A34B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccs1	MC-0000011367	A35B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=CC1CC1	MC-0000011415	A38B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011431	A39B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000011447	A40B7C12	110	100	110	110	110
CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011463	A41B7C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000011479	A42B7C12	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1	MC-0000011176	A23B8C12	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011192	A24B8C12	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011208	A25B8C12	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011256	A28B8C12	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1	MC-0000011304	A31B8C12	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1	MC-0000011320	A32B8C12	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1	MC-0000011368	A35B8C12	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC=O	MC-0000011400	A37B8C12	110	100	110	110	110
O.O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.C=O	MC-0000011512	A44B8C12	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011225	A26B9C12	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=CCc1ccccc1	MC-0000011305	A31B9C12	110	100	110	110	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011353	A34B9C12	110	100	110	40.738	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccs1	MC-0000011369	A35B9C12	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=CC1CC1	MC-0000011417	A38B9C12	110	100	110	79.433	110
Cl.CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011465	A41B9C12	110	100	110	27.542	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000011481	A42B9C12	110	100	110	70.795	110
CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000011194	A24B10C12	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000011258	A28B10C12	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000011274	A29B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=CCc1ccccc1	MC-0000011306	A31B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1ccccn1	MC-0000011322	A32B10C12	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000011354	A34B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1cccs1	MC-0000011370	A35B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=CC1CC1	MC-0000011418	A38B10C12	110	100	110	110	110
CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000011466	A41B10C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000011482	A42B10C12	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1	MC-0000011498	A43B10C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.C=O	MC-0000011514	A44B10C12	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011211	A25B11C12	72.444	100	36.1	28.184	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011227	A26B11C12	64.565	100	32.95	28.184	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011275	A29B11C12	87.096	100	75.61	43.652	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCc1ccccc1	MC-0000011307	A31B11C12	110	100	71.65	39.811	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccn1	MC-0000011323	A32B11C12	74.131	100	65.53	32.359	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000011339	A33B11C12	72.444	100	65.17	33.884	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC=O	MC-0000011403	A37B11C12	53.703	100	37.18	30.2	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000011451	A40B11C12	110	100	110	45.709	110
O.Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.C=O	MC-0000011515	A44B11C12	66.069	100	1.45	22.387	110
CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000011196	A24B12C12	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1	MC-0000011276	A29B12C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=CCc1ccccc1	MC-0000011308	A31B12C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1cccs1	MC-0000011372	A35B12C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.OCC=O	MC-0000011404	A37B12C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=CC1CC1	MC-0000011420	A38B12C12	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000011181	A23B13C12	110	100	97.39	23.988	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011197	A24B13C12	110	100	110	57.544	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011213	A25B13C12	51.286	100	110	70.795	110
O.Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000011293	A30B13C12	85.114	100	110	30.903	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCc1ccccc1	MC-0000011309	A31B13C12	33.884	100	110	27.542	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000011341	A33B13C12	50.119	100	110	14.791	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011357	A34B13C12	22.909	100	59.32	13.49	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CC1	MC-0000011421	A38B13C12	81.283	100	110	34.674	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011437	A39B13C12	21.878	100	110	27.542	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011501	A43B13C12	40.738	100	110	60.256	110
O.CO.CCOC(=O)C1CC1C=O.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011198	A24B14C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O	MC-0000011246	A27B14C12	110	100	110	110	110
O.O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1	MC-0000011294	A30B14C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CC1	MC-0000011422	A38B14C12	110	100	110	110	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000011438	A39B14C12	110	100	110	110	110
O.CO.CC(=O)C=O.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011470	A41B14C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc[nH]1	MC-0000011183	A23B15C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011231	A26B15C12	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000011263	A28B15C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1cccs1	MC-0000011375	A35B15C12	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1	MC-0000011503	A43B15C12	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000011328	A32B16C12	110	100	110	51.286	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000011344	A33B16C12	110	100	110	70.795	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CC1	MC-0000011424	A38B16C12	110	100	110	95.499	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011472	A41B16C12	110	100	110	43.652	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000011520	A44B16C12	110	100	110	81.283	110
Cl.Cl.CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011521	A1B1C13	110	100	110	38.905	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011633	A8B1C13	74.131	100	110	40.738	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000011665	A10B1C13	77.625	100	110	48.978	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000011681	A11B1C13	66.069	100	78.49	47.863	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000011697	A12B1C13	110	100	110	39.811	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011713	A13B1C13	110	100	110	63.096	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1	MC-0000011745	A15B1C13	110	100	110	52.481	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011777	A17B1C13	110	100	110	51.286	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CCCCC1	MC-0000011841	A21B1C13	110	100	110	61.66	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1	MC-0000011857	A22B1C13	110	100	110	57.544	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000011538	A2B2C13	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011714	A13B2C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011730	A14B2C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1	MC-0000011746	A15B2C13	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011762	A16B2C13	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011778	A17B2C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1	MC-0000011842	A21B2C13	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000011619	A7B3C13	110	100	110	52.481	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011731	A14B3C13	110	100	110	67.608	110
Cl.Cl.CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011763	A16B3C13	110	100	110	66.069	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011779	A17B3C13	110	100	110	47.863	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011795	A18B3C13	110	100	110	61.66	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000011843	A21B3C13	110	100	110	72.444	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000011859	A22B3C13	110	100	110	60.256	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000011540	A2B4C13	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000011556	A3B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccco1	MC-0000011604	A6B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011636	A8B4C13	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000011716	A13B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011732	A14B4C13	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000011796	A18B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.OCc1ccc(C=O)o1	MC-0000011812	A19B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=CC=Cc1ccccc1	MC-0000011828	A20B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000011621	A7B5C13	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011717	A13B5C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=CCCc1ccccc1	MC-0000011749	A15B5C13	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011781	A17B5C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1	MC-0000011861	A22B5C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000011542	A2B6C13	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000011558	A3B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccco1	MC-0000011606	A6B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011638	A8B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000011654	A9B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000011670	A10B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000011702	A12B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011734	A14B6C13	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000011798	A18B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.OCc1ccc(C=O)o1	MC-0000011814	A19B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=CC=Cc1ccccc1	MC-0000011830	A20B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=CC1CCCCC1	MC-0000011846	A21B6C13	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011527	A1B7C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000011543	A2B7C13	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011559	A3B7C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000011575	A4B7C13	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011591	A5B7C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000011655	A9B7C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000011687	A11B7C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000011703	A12B7C13	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011719	A13B7C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=CCCc1ccccc1	MC-0000011751	A15B7C13	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011783	A17B7C13	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011799	A18B7C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000011831	A20B7C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=CC1CCCCC1	MC-0000011847	A21B7C13	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011528	A1B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011560	A3B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1	MC-0000011576	A4B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011592	A5B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011640	A8B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000011688	A11B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011784	A17B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1	MC-0000011816	A19B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1	MC-0000011832	A20B8C13	110	100	110	110	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000011577	A4B9C13	110	100	110	58.884	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000011625	A7B9C13	110	100	110	63.096	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011641	A8B9C13	110	100	110	61.66	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000011657	A9B9C13	110	100	110	110	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000011673	A10B9C13	110	100	110	110	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000011705	A12B9C13	110	100	110	43.652	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=CCCc1ccccc1	MC-0000011753	A15B9C13	110	100	110	51.286	110
Cl.CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011769	A16B9C13	110	100	110	38.905	110
Cl.CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011785	A17B9C13	110	100	110	46.774	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000011817	A19B9C13	110	100	110	47.863	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000011833	A20B9C13	110	100	110	28.84	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=CC1CCCCC1	MC-0000011849	A21B9C13	110	100	110	58.884	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1	MC-0000011865	A22B9C13	110	100	110	63.096	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000011562	A3B10C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.Clc1ccc(C=O)cc1	MC-0000011578	A4B10C13	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000011594	A5B10C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccco1	MC-0000011610	A6B10C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000011674	A10B10C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000011690	A11B10C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=CCCc1ccccc1	MC-0000011754	A15B10C13	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000011770	A16B10C13	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000011802	A18B10C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=CC=Cc1ccccc1	MC-0000011834	A20B10C13	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000011547	A2B11C13	47.863	100	110	22.387	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011563	A3B11C13	47.863	100	68.95	32.359	110
Cl.Cl.CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011595	A5B11C13	75.858	100	61.75	30.903	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccco1	MC-0000011611	A6B11C13	43.652	100	50.05	25.119	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000011627	A7B11C13	110	100	58.6	34.674	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000011707	A12B11C13	57.544	100	46.36	19.055	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011723	A13B11C13	110	100	110	79.433	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000011819	A19B11C13	85.114	100	57.34	35.481	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000011835	A20B11C13	83.176	100	51.04	34.674	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CCCCC1	MC-0000011851	A21B11C13	79.433	100	73.9	42.658	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1	MC-0000011867	A22B11C13	89.125	100	52.39	31.623	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000011532	A1B12C13	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000011564	A3B12C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.Clc1ccc(C=O)cc1	MC-0000011580	A4B12C13	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000011596	A5B12C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccco1	MC-0000011612	A6B12C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000011676	A10B12C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000011692	A11B12C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=CCCc1ccccc1	MC-0000011756	A15B12C13	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000011772	A16B12C13	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011533	A1B13C13	110	100	110	26.303	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000011549	A2B13C13	42.658	100	110	20.417	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccco1	MC-0000011613	A6B13C13	41.687	100	110	21.878	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000011629	A7B13C13	41.687	100	110	29.512	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000011677	A10B13C13	45.709	100	110	26.915	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000011693	A11B13C13	43.652	100	94.6	27.542	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000011709	A12B13C13	51.286	100	110	25.704	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011725	A13B13C13	51.286	100	110	33.884	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011741	A14B13C13	70.795	100	110	29.512	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1	MC-0000011869	A22B13C13	47.863	100	110	28.84	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12	MC-0000011550	A2B14C13	110	100	110	110	110
O.CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011774	A16B14C13	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011790	A17B14C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CCCCC1	MC-0000011854	A21B14C13	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000011535	A1B15C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1c[nH]c2ccccc12	MC-0000011551	A2B15C13	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000011567	A3B15C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.Clc1ccc(C=O)cc1	MC-0000011583	A4B15C13	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000011599	A5B15C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccco1	MC-0000011615	A6B15C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000011647	A8B15C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2	MC-0000011663	A9B15C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000011695	A11B15C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011743	A14B15C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=CCCc1ccccc1	MC-0000011759	A15B15C13	110	100	110	110	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000011775	A16B15C13	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000011791	A17B15C13	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000011807	A18B15C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=CC=Cc1ccccc1	MC-0000011839	A20B15C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000011552	A2B16C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000011616	A6B16C13	110	100	110	60.256	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000011632	A7B16C13	110	100	110	53.703	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000011680	A10B16C13	110	100	110	74.131	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000011712	A12B16C13	110	100	110	33.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000011744	A14B16C13	110	100	110	53.703	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000011856	A21B16C13	110	100	110	61.66	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1	MC-0000011872	A22B16C13	110	100	110	54.954	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1	MC-0000011873	A23B1C13	110	100	110	31.623	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011905	A25B1C13	110	100	110	45.709	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000011969	A29B1C13	110	100	110	51.286	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCc1ccccc1	MC-0000012001	A31B1C13	110	100	110	53.703	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccn1	MC-0000012017	A32B1C13	48.978	100	99.91	36.308	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000012049	A34B1C13	74.131	100	99.91	23.442	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccs1	MC-0000012065	A35B1C13	110	100	110	56.234	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000012193	A43B1C13	110	100	110	53.703	110
O.Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.C=O	MC-0000012209	A44B1C13	110	100	110	58.884	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1	MC-0000011874	A23B2C13	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011906	A25B2C13	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000011970	A29B2C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1	MC-0000011986	A30B2C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1	MC-0000012018	A32B2C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC=O	MC-0000012098	A37B2C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012130	A39B2C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000012178	A42B2C13	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000012194	A43B2C13	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000011875	A23B3C13	110	100	110	56.234	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011907	A25B3C13	110	100	110	54.954	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011923	A26B3C13	110	100	110	47.863	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011971	A29B3C13	110	100	110	63.096	110
O.Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000011987	A30B3C13	110	100	110	58.884	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000012035	A33B3C13	110	100	110	58.884	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000012051	A34B3C13	110	100	88.39	26.915	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000012067	A35B3C13	110	100	110	40.738	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000012099	A37B3C13	81.283	100	110	47.863	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012131	A39B3C13	110	100	110	72.444	110
O.Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000012211	A44B3C13	110	100	110	67.608	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc[nH]1	MC-0000011876	A23B4C13	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000011892	A24B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011924	A26B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.OCC(O)C(O)CC=O	MC-0000011940	A27B4C13	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000011956	A28B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccccn1	MC-0000012020	A32B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1cccs1	MC-0000012068	A35B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.OCC=O	MC-0000012100	A37B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=CC1CC1	MC-0000012116	A38B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1C=O	MC-0000012148	A40B4C13	110	100	110	110	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000012164	A41B4C13	64.565	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000012180	A42B4C13	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1	MC-0000012196	A43B4C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.C=O	MC-0000012212	A44B4C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011925	A26B5C13	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000011973	A29B5C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=CCc1ccccc1	MC-0000012005	A31B5C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccn1	MC-0000012021	A32B5C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000012037	A33B5C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccs1	MC-0000012069	A35B5C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012133	A39B5C13	110	100	110	110	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000012165	A41B5C13	110	100	110	74.131	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000012181	A42B5C13	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1	MC-0000012197	A43B5C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.C=O	MC-0000012213	A44B5C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc[nH]1	MC-0000011878	A23B6C13	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000011894	A24B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011926	A26B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.OCC(O)C(O)CC=O	MC-0000011942	A27B6C13	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000011958	A28B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccccn1	MC-0000012022	A32B6C13	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000012054	A34B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1cccs1	MC-0000012070	A35B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.OCC=O	MC-0000012102	A37B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=CC1CC1	MC-0000012118	A38B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1C=O	MC-0000012150	A40B6C13	110	100	110	110	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000012166	A41B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000012182	A42B6C13	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1	MC-0000012198	A43B6C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000011879	A23B7C13	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000011911	A25B7C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000011991	A30B7C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=CCc1ccccc1	MC-0000012007	A31B7C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000012039	A33B7C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012135	A39B7C13	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1	MC-0000012199	A43B7C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.C=O	MC-0000012215	A44B7C13	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011928	A26B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O	MC-0000011944	A27B8C13	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000011976	A29B8C13	110	100	110	110	110
O.O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1	MC-0000011992	A30B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012056	A34B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1	MC-0000012120	A38B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012136	A39B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O	MC-0000012152	A40B8C13	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000012184	A42B8C13	110	100	110	110	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000011881	A23B9C13	110	100	110	50.119	110
Cl.CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000011897	A24B9C13	110	100	110	110	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000011945	A27B9C13	110	100	110	75.858	110
O.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000011993	A30B9C13	110	100	110	72.444	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=CCc1ccccc1	MC-0000012009	A31B9C13	110	100	110	58.884	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccn1	MC-0000012025	A32B9C13	110	100	110	32.359	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000012041	A33B9C13	110	100	110	79.433	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000012057	A34B9C13	110	100	110	43.652	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000012153	A40B9C13	110	100	110	51.286	110
Cl.CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1	MC-0000012201	A43B9C13	110	100	110	83.176	110
O.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.C=O	MC-0000012217	A44B9C13	110	100	110	57.544	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000011898	A24B10C13	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000011914	A25B10C13	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000011962	A28B10C13	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000011978	A29B10C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ncc[nH]1	MC-0000011994	A30B10C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000012042	A33B10C13	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1	MC-0000012058	A34B10C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=CC1CC1	MC-0000012122	A38B10C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012138	A39B10C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1C=O	MC-0000012154	A40B10C13	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000011899	A24B11C13	66.069	100	78.31	12.882	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCc1ccccc1	MC-0000012011	A31B11C13	66.069	100	39.7	42.658	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccn1	MC-0000012027	A32B11C13	83.176	100	55.54	38.019	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000012059	A34B11C13	35.481	69.7	50.14	23.442	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccs1	MC-0000012075	A35B11C13	110	100	110	52.481	110
Cl.Cl.CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000012171	A41B11C13	48.978	100	38.71	23.442	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000012187	A42B11C13	74.131	100	53.02	29.512	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000011916	A25B12C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011932	A26B12C13	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000011964	A28B12C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ncc[nH]1	MC-0000011996	A30B12C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000012044	A33B12C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=CC1CC1	MC-0000012124	A38B12C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1C=O	MC-0000012156	A40B12C13	110	100	110	110	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1	MC-0000012172	A41B12C13	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000011885	A23B13C13	27.542	100	110	13.49	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011965	A28B13C13	54.954	100	110	25.119	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000011981	A29B13C13	31.623	100	110	24.547	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCc1ccccc1	MC-0000012013	A31B13C13	19.953	100	110	30.903	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000012061	A34B13C13	14.454	100	96.58	14.125	56.234
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.OCC=O	MC-0000012109	A37B13C13	18.197	100	110	16.982	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000012189	A42B13C13	42.658	100	110	25.119	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000012205	A43B13C13	40.738	100	110	31.623	110
O.Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.C=O	MC-0000012221	A44B13C13	41.687	100	90.46	22.387	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1	MC-0000011886	A23B14C13	110	100	110	110	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011918	A25B14C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011934	A26B14C13	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000011982	A29B14C13	110	100	110	110	110
O.O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1	MC-0000011998	A30B14C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCc1ccccc1	MC-0000012014	A31B14C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O	MC-0000012046	A33B14C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccs1	MC-0000012078	A35B14C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC=O	MC-0000012110	A37B14C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012142	A39B14C13	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1	MC-0000012190	A42B14C13	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000012206	A43B14C13	110	100	110	110	110
O.O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.C=O	MC-0000012222	A44B14C13	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000011903	A24B15C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000011935	A26B15C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.Clc1nc2ccccc2cc1C=O	MC-0000012047	A33B15C13	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000012063	A34B15C13	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012143	A39B15C13	110	100	110	110	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1	MC-0000012175	A41B15C13	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011920	A25B16C13	110	100	110	64.565	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000011968	A28B16C13	110	100	110	44.668	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000012016	A31B16C13	110	100	110	81.283	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000012080	A35B16C13	110	100	110	69.183	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000012192	A42B16C13	110	100	110	51.286	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000012224	A44B16C13	110	100	110	87.096	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000012241	A2B1C14	110	100	110	46.774	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N	MC-0000012257	A3B1C14	110	100	110	51.286	110
Cl.Cl.CO.CCCC[N+]#[C-].CC(C)CC=O.NCc1cccc(c1)C(=N)N	MC-0000012289	A5B1C14	110	100	110	51.286	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccco1	MC-0000012305	A6B1C14	110	100	110	41.687	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012337	A8B1C14	110	100	110	52.481	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000012385	A11B1C14	110	100	76.33	60.256	110
Cl.Cl.CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N	MC-0000012417	A13B1C14	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012433	A14B1C14	110	100	110	50.119	110
Cl.Cl.CO.CCCC[N+]#[C-].CSCCC=O.NCc1cccc(c1)C(=N)N	MC-0000012465	A16B1C14	72.444	100	110	52.481	110
Cl.Cl.CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N	MC-0000012497	A18B1C14	110	100	110	50.119	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1	MC-0000012513	A19B1C14	110	100	110	45.709	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1	MC-0000012529	A20B1C14	110	100	110	33.884	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CCCCC1	MC-0000012545	A21B1C14	110	100	110	60.256	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1	MC-0000012561	A22B1C14	110	100	110	47.863	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000012242	A2B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(CCCNC(=N)N)C(=O)O	MC-0000012258	A3B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1	MC-0000012306	A6B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2	MC-0000012354	A9B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000012370	A10B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000012386	A11B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000012402	A12B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012434	A14B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1	MC-0000012514	A19B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1	MC-0000012530	A20B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1	MC-0000012562	A22B2C14	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12	MC-0000012243	A2B3C14	110	100	110	39.811	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N	MC-0000012259	A3B3C14	110	100	110	47.863	110
Cl.Cl.CO.CCCC[N+]#[C-].CC(C)CC=O.NCc1ccc(cc1)C(=N)N	MC-0000012291	A5B3C14	110	100	110	47.863	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000012307	A6B3C14	110	100	110	41.687	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012339	A8B3C14	110	100	110	47.863	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000012387	A11B3C14	110	100	90.37	51.286	110
Cl.Cl.CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N	MC-0000012419	A13B3C14	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012435	A14B3C14	110	100	110	45.709	110
Cl.Cl.CO.CCCC[N+]#[C-].CSCCC=O.NCc1ccc(cc1)C(=N)N	MC-0000012467	A16B3C14	110	100	99.91	43.652	110
Cl.Cl.CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N	MC-0000012499	A18B3C14	110	100	110	50.119	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000012515	A19B3C14	110	100	110	75.858	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000012531	A20B3C14	110	100	110	42.658	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000012547	A21B3C14	110	100	110	57.544	110
CO.CCCCCC=O.CCCC[N+]#[C-].Nc1ccncc1	MC-0000012228	A1B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1	MC-0000012260	A3B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccco1	MC-0000012308	A6B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012340	A8B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000012356	A9B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=CCCc1ccccc1	MC-0000012452	A15B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CSCCC=O.Nc1ccncc1	MC-0000012468	A16B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1ccncc1	MC-0000012484	A17B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1ccncc1	MC-0000012500	A18B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12	MC-0000012245	A2B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1	MC-0000012261	A3B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000012277	A4B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CC(C)CC=O.NCc1ccc(N)cc1	MC-0000012293	A5B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012341	A8B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000012373	A10B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000012389	A11B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000012405	A12B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1	MC-0000012421	A13B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012437	A14B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1	MC-0000012501	A18B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000012533	A20B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=CC1CCCCC1	MC-0000012549	A21B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1	MC-0000012565	A22B5C14	110	100	110	110	110
CO.CCCCCC=O.CCCC[N+]#[C-].Nc1cccnc1	MC-0000012230	A1B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1	MC-0000012262	A3B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000012326	A7B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012342	A8B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000012358	A9B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000012374	A10B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000012390	A11B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CSCCC=O.Nc1cccnc1	MC-0000012470	A16B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1cccnc1	MC-0000012486	A17B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Nc1cccnc1	MC-0000012502	A18B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.OCc1ccc(C=O)o1	MC-0000012518	A19B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=CC=Cc1ccccc1	MC-0000012534	A20B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000012247	A2B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccco1	MC-0000012311	A6B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000012327	A7B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012343	A8B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000012407	A12B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012439	A14B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=CC1CCCCC1	MC-0000012551	A21B7C14	110	100	110	110	110
O.CO.CCCCCC=O.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012232	A1B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1	MC-0000012280	A4B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012296	A5B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000012328	A7B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012344	A8B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2	MC-0000012392	A11B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000012408	A12B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1	MC-0000012456	A15B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012472	A16B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012488	A17B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1	MC-0000012520	A19B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1	MC-0000012536	A20B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1	MC-0000012552	A21B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1	MC-0000012568	A22B8C14	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000012249	A2B9C14	110	100	110	57.544	110
Cl.CO.CCCC[N+]#[C-].CC(C)CC=O.NCc1cccc(N)c1	MC-0000012297	A5B9C14	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000012329	A7B9C14	110	100	110	91.201	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000012361	A9B9C14	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000012393	A11B9C14	110	100	86.68	74.131	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000012409	A12B9C14	110	100	110	50.119	110
Cl.CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1	MC-0000012425	A13B9C14	110	100	110	83.176	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012441	A14B9C14	110	100	110	72.444	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=CC1CCCCC1	MC-0000012553	A21B9C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1c[nH]c2ccccc12	MC-0000012250	A2B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000012330	A7B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=CCCc1ccccc1	MC-0000012458	A15B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CSCCC=O.NCc1ccncc1	MC-0000012474	A16B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1ccncc1	MC-0000012490	A17B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1ccncc1	MC-0000012506	A18B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=CC1CCCCC1	MC-0000012554	A21B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1	MC-0000012570	A22B10C14	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000012235	A1B11C14	110	100	87.04	28.184	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000012283	A4B11C14	110	100	99.91	26.915	110
Cl.Cl.CO.CCCC[N+]#[C-].CC(C)CC=O.NC(=N)c1ccc(N)cc1	MC-0000012299	A5B11C14	87.096	100	56.53	26.915	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccco1	MC-0000012315	A6B11C14	40.738	100	95.14	21.878	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012347	A8B11C14	100	100	99.91	28.84	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000012363	A9B11C14	14.791	100	88.57	66.069	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000012379	A10B11C14	47.863	100	110	41.687	110
Cl.Cl.CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1	MC-0000012427	A13B11C14	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012443	A14B11C14	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1	MC-0000012459	A15B11C14	110	100	99.91	43.652	110
Cl.Cl.CO.CCCC[N+]#[C-].CSCCC=O.NC(=N)c1ccc(N)cc1	MC-0000012475	A16B11C14	77.625	100	79.3	35.481	110
Cl.Cl.CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1	MC-0000012507	A18B11C14	100	100	69.67	35.481	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CCCCC1	MC-0000012555	A21B11C14	110	100	71.2	33.884	110
CO.CCCCCC=O.CCCC[N+]#[C-].NCc1cccnc1	MC-0000012236	A1B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000012252	A2B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000012332	A7B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000012412	A12B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012444	A14B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CSCCC=O.NCc1cccnc1	MC-0000012476	A16B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.NCc1cccnc1	MC-0000012492	A17B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NCc1cccnc1	MC-0000012508	A18B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=CC=Cc1ccccc1	MC-0000012540	A20B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1	MC-0000012572	A22B12C14	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1	MC-0000012269	A3B13C14	66.069	100	110	31.623	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000012285	A4B13C14	34.674	100	110	27.542	110
Cl.Cl.CO.CCCC[N+]#[C-].CC(C)CC=O.NC(=N)c1cccc(N)c1	MC-0000012301	A5B13C14	52.481	100	110	28.184	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012349	A8B13C14	42.658	100	110	28.184	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000012365	A9B13C14	25.119	64	110	33.113	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000012397	A11B13C14	30.903	100	98.56	23.442	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012445	A14B13C14	13.804	100	110	25.704	110
Cl.Cl.CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1	MC-0000012509	A18B13C14	42.658	100	110	34.674	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000012541	A20B13C14	35.481	100	110	26.915	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1	MC-0000012286	A4B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CC(C)CC=O.NC(=O)c1ccc(N)nc1	MC-0000012302	A5B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccco1	MC-0000012318	A6B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012350	A8B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2	MC-0000012366	A9B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000012398	A11B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1	MC-0000012414	A12B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1	MC-0000012430	A13B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1	MC-0000012526	A19B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1	MC-0000012542	A20B14C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1	MC-0000012271	A3B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CC(C)CC=O.Nc1ccccc1	MC-0000012303	A5B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1coc2ccccc2c1=O	MC-0000012335	A7B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012351	A8B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc2ccccc2c1	MC-0000012415	A12B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=CCCc1ccccc1	MC-0000012463	A15B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CSCCC=O.Nc1ccccc1	MC-0000012479	A16B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.Nc1ccccc1	MC-0000012495	A17B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=CC=Cc1ccccc1	MC-0000012543	A20B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=CC1CCCCC1	MC-0000012559	A21B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1	MC-0000012575	A22B15C14	110	100	110	110	110
CO.CCCCCC=O.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012240	A1B16C14	110	100	110	26.303	110
CO.CCCC[N+]#[C-].COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012272	A3B16C14	110	100	110	40.738	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000012320	A6B16C14	110	100	110	51.286	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000012352	A8B16C14	110	100	110	45.709	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000012368	A9B16C14	110	100	110	72.444	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000012384	A10B16C14	110	100	110	54.954	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000012400	A11B16C14	110	100	99.91	47.863	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000012448	A14B16C14	110	100	110	50.119	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000012464	A15B16C14	110	100	110	89.125	110
CO.CCCC[N+]#[C-].CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012480	A16B16C14	110	100	56.08	47.863	110
CO.CCCC[N+]#[C-].COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012496	A17B16C14	110	100	110	48.978	110
CO.CCCC[N+]#[C-].COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012512	A18B16C14	110	100	110	46.774	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1	MC-0000012577	A23B1C14	110	100	110	30.903	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012625	A26B1C14	110	100	110	45.709	110
Cl.Cl.CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N	MC-0000012673	A29B1C14	110	100	110	63.096	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccn1	MC-0000012721	A32B1C14	110	100	110	40.738	110
Cl.Cl.CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N	MC-0000012753	A34B1C14	110	100	70.75	26.303	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccs1	MC-0000012769	A35B1C14	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CC1	MC-0000012817	A38B1C14	110	100	110	56.234	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O	MC-0000012849	A40B1C14	39.811	100	110	39.811	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N	MC-0000012897	A43B1C14	110	100	110	52.481	110
O.Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.C=O	MC-0000012913	A44B1C14	110	100	110	51.286	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1	MC-0000012578	A23B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O	MC-0000012594	A24B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O	MC-0000012642	A27B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O	MC-0000012658	A28B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O	MC-0000012674	A29B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1	MC-0000012770	A35B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CC1	MC-0000012818	A38B2C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000012882	A42B2C14	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000012579	A23B3C14	110	100	110	29.512	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000012643	A27B3C14	110	100	110	28.184	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N	MC-0000012659	A28B3C14	110	100	110	47.863	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000012723	A32B3C14	110	100	97.39	72.444	110
Cl.Cl.CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N	MC-0000012755	A34B3C14	110	100	55.54	22.909	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000012771	A35B3C14	110	100	110	72.444	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000012803	A37B3C14	100	100	64.9	31.623	110
Cl.Cl.CO.CCCC[N+]#[C-].CC(=O)C=O.NCc1ccc(cc1)C(=N)N	MC-0000012867	A41B3C14	110	100	110	33.884	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000012883	A42B3C14	110	100	110	48.978	110
O.Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000012915	A44B3C14	110	100	110	66.069	110
CO.CCCC[N+]#[C-].Nc1ccncc1.OCC(O)C(O)CC=O	MC-0000012644	A27B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1	MC-0000012660	A28B4C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1ncc[nH]1	MC-0000012692	A30B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=CCc1ccccc1	MC-0000012708	A31B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=CC1CC1	MC-0000012820	A38B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1C=O	MC-0000012852	A40B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CC(=O)C=O.Nc1ccncc1	MC-0000012868	A41B4C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1	MC-0000012597	A24B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012629	A26B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1	MC-0000012677	A29B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccn1	MC-0000012725	A32B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1	MC-0000012757	A34B5C14	110	100	110	79.433	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=CC1CC1	MC-0000012821	A38B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000012853	A40B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CC(=O)C=O.NCc1ccc(N)cc1	MC-0000012869	A41B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.NCc1ccc(N)cc1	MC-0000012901	A43B5C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.Nc1cccnc1	MC-0000012598	A24B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1	MC-0000012614	A25B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.OCC(O)C(O)CC=O	MC-0000012646	A27B6C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1ncc[nH]1	MC-0000012694	A30B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=CCc1ccccc1	MC-0000012710	A31B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000012742	A33B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1	MC-0000012758	A34B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=CC1CC1	MC-0000012822	A38B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012838	A39B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1C=O	MC-0000012854	A40B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CC(=O)C=O.Nc1cccnc1	MC-0000012870	A41B6C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000012583	A23B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.Nc1cccc(N)c1	MC-0000012599	A24B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012631	A26B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1	MC-0000012663	A28B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1	MC-0000012679	A29B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1	MC-0000012759	A34B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccs1	MC-0000012775	A35B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.OCC=O	MC-0000012807	A37B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CC(=O)C=O.Nc1cccc(N)c1	MC-0000012871	A41B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000012887	A42B7C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.Nc1cccc(N)c1	MC-0000012903	A43B7C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1	MC-0000012584	A23B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1	MC-0000012712	A31B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1	MC-0000012728	A32B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000012744	A33B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1	MC-0000012824	A38B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O	MC-0000012856	A40B8C14	110	100	78.31	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012872	A41B8C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O	MC-0000012904	A43B8C14	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc[nH]1	MC-0000012585	A23B9C14	110	100	110	33.884	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000012649	A27B9C14	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1	MC-0000012665	A28B9C14	110	100	110	70.795	110
Cl.CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1	MC-0000012681	A29B9C14	110	100	110	48.978	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=CCc1ccccc1	MC-0000012713	A31B9C14	110	100	110	70.795	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.OCC=O	MC-0000012809	A37B9C14	110	100	110	28.84	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=CC1CC1	MC-0000012825	A38B9C14	110	100	110	110	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000012889	A42B9C14	110	100	110	63.096	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc[nH]1	MC-0000012586	A23B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1	MC-0000012618	A25B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.OCC(O)C(O)CC=O	MC-0000012650	A27B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=CCc1ccccc1	MC-0000012714	A31B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000012746	A33B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1	MC-0000012762	A34B10C14	110	100	110	83.176	110
CO.CCCC[N+]#[C-].NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012842	A39B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000012890	A42B10C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.NCc1ccncc1	MC-0000012906	A43B10C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NCc1ccncc1.C=O	MC-0000012922	A44B10C14	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1	MC-0000012603	A24B11C14	110	100	110	30.2	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1	MC-0000012619	A25B11C14	51.286	100	99.91	23.442	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000012651	A27B11C14	63.096	100	53.47	30.2	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1	MC-0000012667	A28B11C14	110	100	86.77	19.055	110
Cl.Cl.CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1	MC-0000012683	A29B11C14	63.096	100	110	44.668	110
O.Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000012699	A30B11C14	97.724	100	75.25	28.184	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCc1ccccc1	MC-0000012715	A31B11C14	83.176	100	77.77	42.658	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccn1	MC-0000012731	A32B11C14	110	100	110	38.019	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000012747	A33B11C14	110	100	88.66	38.019	110
Cl.Cl.CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1	MC-0000012763	A34B11C14	45.709	100	46.27	20.893	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccs1	MC-0000012779	A35B11C14	110	100	89.38	43.652	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CC1	MC-0000012827	A38B11C14	110	100	67.51	25.119	110
Cl.Cl.CO.CCCC[N+]#[C-].CC(=O)C=O.NC(=N)c1ccc(N)cc1	MC-0000012875	A41B11C14	69.183	100	31.15	25.119	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000012891	A42B11C14	110	100	72.82	33.884	110
CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1	MC-0000012620	A25B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.OCC(O)C(O)CC=O	MC-0000012652	A27B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=CCc1ccccc1	MC-0000012716	A31B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccccn1	MC-0000012732	A32B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000012748	A33B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.OCC=O	MC-0000012812	A37B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012844	A39B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1C=O	MC-0000012860	A40B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000012892	A42B12C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.NCc1cccnc1	MC-0000012908	A43B12C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NCc1cccnc1.C=O	MC-0000012924	A44B12C14	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1	MC-0000012605	A24B13C14	66.069	100	110	33.884	110
Cl.Cl.CO.CCCC[N+]#[C-].COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1	MC-0000012621	A25B13C14	15.849	100	110	36.308	110
Cl.Cl.CO.CCCC[N+]#[C-].CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1	MC-0000012685	A29B13C14	41.687	100	110	27.542	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000012749	A33B13C14	33.884	100	110	19.953	110
Cl.Cl.CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1	MC-0000012765	A34B13C14	53.703	100	85.96	17.378	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccs1	MC-0000012781	A35B13C14	40.738	100	110	34.674	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CC1	MC-0000012829	A38B13C14	70.795	100	110	37.154	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000012861	A40B13C14	74.131	100	110	27.542	110
Cl.Cl.CO.CCCC[N+]#[C-].CC(=O)C=O.NC(=N)c1cccc(N)c1	MC-0000012877	A41B13C14	46.774	100	110	25.704	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000012893	A42B13C14	22.909	100	110	38.905	110
O.Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.C=O	MC-0000012925	A44B13C14	30.2	100	66.88	16.596	110
O.CO.CCCC[N+]#[C-].CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1	MC-0000012606	A24B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012638	A26B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O	MC-0000012654	A27B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1	MC-0000012670	A28B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccn1	MC-0000012734	A32B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1cccs1	MC-0000012782	A35B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC=O	MC-0000012814	A37B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O	MC-0000012862	A40B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].CC(=O)C=O.NC(=O)c1ccc(N)nc1	MC-0000012878	A41B14C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1	MC-0000012894	A42B14C14	110	100	110	110	110
O.O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.C=O	MC-0000012926	A44B14C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc[nH]1	MC-0000012591	A23B15C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1ncc[nH]1	MC-0000012703	A30B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=CCc1ccccc1	MC-0000012719	A31B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.OCC=O	MC-0000012815	A37B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012847	A39B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1C=O	MC-0000012863	A40B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].CC(=O)C=O.Nc1ccccc1	MC-0000012879	A41B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].COc1cccc(C=O)c1OC.Nc1ccccc1	MC-0000012911	A43B15C14	110	100	110	110	110
O.CO.CCCC[N+]#[C-].Nc1ccccc1.C=O	MC-0000012927	A44B15C14	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000012640	A26B16C14	110	100	110	87.096	110
CO.CCCC[N+]#[C-].COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012672	A28B16C14	110	100	110	44.668	110
O.CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000012704	A30B16C14	110	100	110	52.481	110
CO.CCCC[N+]#[C-].CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012768	A34B16C14	110	100	110	32.359	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000012784	A35B16C14	110	100	110	37.154	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000012848	A39B16C14	110	100	110	45.709	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000012864	A40B16C14	110	100	110	41.687	110
CO.CCCC[N+]#[C-].CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N	MC-0000012880	A41B16C14	110	100	110	38.019	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1	MC-0000012896	A42B16C14	110	100	110	38.019	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012945	A2B1C15	110	100	110	36.308	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013025	A7B1C15	110	100	110	60.256	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013121	A13B1C15	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013137	A14B1C15	110	100	110	39.811	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013249	A21B1C15	110	100	110	57.544	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013265	A22B1C15	110	100	110	47.863	110
CO.CCCCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012930	A1B2C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012946	A2B2C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013106	A12B2C15	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013122	A13B2C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013138	A14B2C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013154	A15B2C15	110	100	110	110	110
CO.CSCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013170	A16B2C15	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013186	A17B2C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013250	A21B2C15	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012931	A1B3C15	110	100	110	37.154	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012947	A2B3C15	110	100	110	32.359	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013027	A7B3C15	110	100	110	48.978	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013123	A13B3C15	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013155	A15B3C15	110	100	110	60.256	110
Cl.Cl.CO.CSCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013171	A16B3C15	110	100	110	46.774	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013187	A17B3C15	110	100	110	50.119	110
CO.Nc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012948	A2B4C15	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013012	A6B4C15	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013076	A10B4C15	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013108	A12B4C15	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013140	A14B4C15	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013204	A18B4C15	110	100	110	110	110
CO.Nc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013220	A19B4C15	110	100	110	110	110
CO.Nc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013236	A20B4C15	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013252	A21B4C15	110	100	110	110	110
CO.CCCCCC=O.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012933	A1B5C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012949	A2B5C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013029	A7B5C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013109	A12B5C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013141	A14B5C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013157	A15B5C15	110	100	110	110	110
CO.CSCCC=O.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013173	A16B5C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013253	A21B5C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013269	A22B5C15	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012998	A5B6C15	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013014	A6B6C15	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013062	A9B6C15	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013078	A10B6C15	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013206	A18B6C15	110	100	110	110	110
CO.Nc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013238	A20B6C15	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013254	A21B6C15	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013270	A22B6C15	110	100	110	110	110
CO.CCCCCC=O.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012935	A1B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012951	A2B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012983	A4B7C15	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012999	A5B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013063	A9B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013111	A12B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013159	A15B7C15	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013191	A17B7C15	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013207	A18B7C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012952	A2B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012968	A3B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013080	A10B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013144	A14B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013160	A15B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013176	A16B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013192	A17B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013208	A18B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013240	A20B8C15	110	100	110	110	110
Cl.CO.CCCCCC=O.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012937	A1B9C15	110	100	110	41.687	110
Cl.CO.NCc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012985	A4B9C15	110	100	110	57.544	110
Cl.CO.CC(C)CC=O.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013001	A5B9C15	110	100	110	83.176	110
Cl.CO.NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013033	A7B9C15	110	100	110	83.176	110
Cl.CO.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013049	A8B9C15	110	100	110	77.625	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013065	A9B9C15	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013097	A11B9C15	110	100	110	110	110
Cl.CO.CSCCC=O.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013177	A16B9C15	110	100	110	39.811	110
Cl.CO.NCc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013225	A19B9C15	110	100	110	50.119	110
Cl.CO.NCc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013241	A20B9C15	110	100	110	37.154	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013273	A22B9C15	110	100	110	67.608	110
CO.CCCCCC=O.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012938	A1B10C15	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012970	A3B10C15	110	100	110	110	110
CO.NCc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012986	A4B10C15	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013002	A5B10C15	110	100	110	110	110
CO.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013050	A8B10C15	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013066	A9B10C15	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013082	A10B10C15	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013098	A11B10C15	110	100	86.23	91.201	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013210	A18B10C15	110	100	110	110	110
CO.NCc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013242	A20B10C15	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012939	A1B11C15	37.154	78.5	48.07	20.417	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012955	A2B11C15	110	100	55.45	10.471	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012971	A3B11C15	110	100	40.96	30.2	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013003	A5B11C15	66.069	100	45.01	26.303	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013067	A9B11C15	61.66	100	48.61	28.184	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013083	A10B11C15	100	100	49.87	26.915	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013099	A11B11C15	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013115	A12B11C15	100	100	34.48	18.197	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013131	A13B11C15	72.444	100	51.4	28.84	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013179	A16B11C15	100	100	46.27	29.512	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013211	A18B11C15	110	100	38.62	23.988	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013227	A19B11C15	41.687	100	32.23	25.119	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013259	A21B11C15	30.2	100	35.65	39.811	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013275	A22B11C15	100	100	38.62	22.909	110
CO.CCCCCC=O.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012940	A1B12C15	110	100	110	110	110
CO.NCc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012988	A4B12C15	110	100	110	110	110
CO.CC(C)CC=O.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013004	A5B12C15	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013020	A6B12C15	110	100	110	110	110
CO.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013052	A8B12C15	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013068	A9B12C15	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013084	A10B12C15	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013100	A11B12C15	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013116	A12B12C15	110	100	86.05	32.359	110
CO.NCc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013164	A15B12C15	110	100	110	110	110
CO.CSCCC=O.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013180	A16B12C15	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013196	A17B12C15	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013212	A18B12C15	110	100	110	110	110
CO.NCc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013244	A20B12C15	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012957	A2B13C15	61.66	100	110	16.596	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012989	A4B13C15	48.978	100	99.91	16.982	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013021	A6B13C15	26.915	70.3	72.37	12.589	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013037	A7B13C15	60.256	100	110	30.903	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013085	A10B13C15	56.234	100	110	16.218	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013133	A13B13C15	48.978	100	96.4	25.119	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013149	A14B13C15	50.119	100	110	18.621	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013277	A22B13C15	56.234	100	110	23.988	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012958	A2B14C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013038	A7B14C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013118	A12B14C15	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013134	A13B14C15	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013198	A17B14C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CCCCC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013262	A21B14C15	110	100	110	110	110
CO.CCCCCC=O.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012943	A1B15C15	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012959	A2B15C15	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012975	A3B15C15	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013023	A6B15C15	110	100	110	110	110
CO.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013055	A8B15C15	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013151	A14B15C15	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013199	A17B15C15	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013215	A18B15C15	110	100	110	110	110
CO.Nc1ccccc1.OCc1ccc(C=O)o1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013231	A19B15C15	110	100	110	110	110
CO.Nc1ccccc1.O=CC=Cc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013247	A20B15C15	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cn1nnc2ccccc12	MC-0000012960	A2B16C15	110	100	110	58.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013024	A6B16C15	110	53.7	110	48.978	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013040	A7B16C15	110	100	110	38.905	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013056	A8B16C15	110	87.8	110	40.738	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013120	A12B16C15	110	100	110	35.481	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013136	A13B16C15	110	84.8	110	43.652	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013152	A14B16C15	110	100	110	46.774	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013281	A23B1C15	110	100	110	51.286	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013313	A25B1C15	110	100	110	50.119	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013377	A29B1C15	61.66	100	110	52.481	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013409	A31B1C15	64.565	100	110	48.978	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013457	A34B1C15	63.096	100	110	32.359	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013473	A35B1C15	47.863	100	110	47.863	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013585	A42B1C15	110	100	110	79.433	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013601	A43B1C15	48.978	100	110	46.774	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013314	A25B2C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013330	A26B2C15	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013378	A29B2C15	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013394	A30B2C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013410	A31B2C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013426	A32B2C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013538	A39B2C15	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013586	A42B2C15	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013602	A43B2C15	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013283	A23B3C15	110	100	110	26.303	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013331	A26B3C15	110	57.9	110	43.652	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013379	A29B3C15	110	100	110	57.544	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013395	A30B3C15	110	100	110	63.096	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013411	A31B3C15	110	100	110	60.256	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013443	A33B3C15	110	100	110	54.954	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013475	A35B3C15	110	100	110	50.119	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013507	A37B3C15	63.096	100	55.45	33.113	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013539	A39B3C15	110	100	110	74.131	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013587	A42B3C15	110	100	110	48.978	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013603	A43B3C15	110	100	110	43.652	110
CO.Nc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013284	A23B4C15	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013332	A26B4C15	110	100	110	110	110
CO.Nc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013348	A27B4C15	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013364	A28B4C15	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013380	A29B4C15	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013428	A32B4C15	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013460	A34B4C15	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013476	A35B4C15	110	100	110	110	110
CO.Nc1ccncc1.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013508	A37B4C15	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013524	A38B4C15	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013556	A40B4C15	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013572	A41B4C15	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013588	A42B4C15	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013604	A43B4C15	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013317	A25B5C15	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013381	A29B5C15	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013397	A30B5C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013413	A31B5C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013429	A32B5C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013445	A33B5C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013477	A35B5C15	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013541	A39B5C15	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013573	A41B5C15	110	100	110	69.183	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013589	A42B5C15	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013605	A43B5C15	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013286	A23B6C15	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013334	A26B6C15	110	100	110	110	110
CO.Nc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013350	A27B6C15	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013366	A28B6C15	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013382	A29B6C15	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013430	A32B6C15	110	100	110	110	110
CO.Nc1cccnc1.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013510	A37B6C15	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013526	A38B6C15	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013574	A41B6C15	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013590	A42B6C15	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013606	A43B6C15	110	100	110	110	110
O.CO.Nc1cccnc1.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013622	A44B6C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013287	A23B7C15	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013319	A25B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013351	A27B7C15	110	100	110	110	110
O.CO.Nc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013399	A30B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013431	A32B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013511	A37B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013527	A38B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013543	A39B7C15	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013559	A40B7C15	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013607	A43B7C15	110	100	110	110	110
O.CO.Nc1cccc(N)c1.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013623	A44B7C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013336	A26B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013352	A27B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013368	A28B8C15	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013400	A30B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013528	A38B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013544	A39B8C15	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013576	A41B8C15	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013289	A23B9C15	110	100	110	40.738	110
Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013305	A24B9C15	110	100	110	110	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013321	A25B9C15	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013369	A28B9C15	110	100	110	61.66	110
Cl.CO.NCc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013417	A31B9C15	110	100	110	46.774	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013433	A32B9C15	110	100	110	44.668	110
Cl.CO.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013449	A33B9C15	110	100	110	83.176	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013465	A34B9C15	110	100	110	69.183	110
Cl.CO.NCc1cccc(N)c1.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013513	A37B9C15	110	100	110	19.953	110
O.Cl.CO.NCc1cccc(N)c1.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013625	A44B9C15	110	100	110	56.234	110
CO.CCOC(=O)C1CC1C=O.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013306	A24B10C15	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013322	A25B10C15	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013338	A26B10C15	110	100	110	110	110
CO.NCc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013354	A27B10C15	110	100	110	110	110
O.CO.NCc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013402	A30B10C15	110	100	110	110	110
CO.NCc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013450	A33B10C15	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013466	A34B10C15	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013530	A38B10C15	110	100	110	110	110
CO.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013546	A39B10C15	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013307	A24B11C15	110	100	88.66	33.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013339	A26B11C15	95.499	100	52.21	28.84	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013371	A28B11C15	110	100	35.38	32.359	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013387	A29B11C15	43.652	100	24.94	28.84	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013483	A35B11C15	67.608	100	25.93	33.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013531	A38B11C15	91.201	100	25.57	42.658	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013579	A41B11C15	28.84	100	17.56	21.38	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013611	A43B11C15	48.978	100	17.2	26.303	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013627	A44B11C15	85.114	100	12.79	30.2	110
CO.CCOC(=O)C1CC1C=O.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013308	A24B12C15	110	100	110	110	110
CO.NCc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013356	A27B12C15	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013372	A28B12C15	110	100	110	110	110
O.CO.NCc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013404	A30B12C15	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013468	A34B12C15	110	100	110	110	110
CO.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013548	A39B12C15	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013564	A40B12C15	110	100	110	110	110
CO.CC(=O)C=O.NCc1cccnc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013580	A41B12C15	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013293	A23B13C15	21.878	99.9	75.97	19.953	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013389	A29B13C15	26.915	88.2	110	23.988	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013421	A31B13C15	20.893	100	110	22.909	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013437	A32B13C15	37.154	100	110	25.704	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013469	A34B13C15	37.154	50.4	73.63	20.893	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013517	A37B13C15	14.454	53.2	24.58	12.303	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013581	A41B13C15	18.197	71.4	64.81	20.417	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013597	A42B13C15	58.884	100	110	30.2	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013629	A44B13C15	40.738	100	110	22.387	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013326	A25B14C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013342	A26B14C15	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013390	A29B14C15	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013406	A30B14C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013422	A31B14C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013438	A32B14C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013454	A33B14C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013486	A35B14C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013518	A37B14C15	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013598	A42B14C15	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013614	A43B14C15	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013630	A44B14C15	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013311	A24B15C15	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013343	A26B15C15	110	100	110	110	110
CO.Nc1ccccc1.OCC(O)C(O)CC=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013359	A27B15C15	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013375	A28B15C15	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013391	A29B15C15	110	100	110	110	110
O.CO.Nc1ccccc1.O=Cc1ncc[nH]1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013407	A30B15C15	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013471	A34B15C15	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CC1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013535	A38B15C15	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013567	A40B15C15	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013344	A26B16C15	110	15.5	110	23.442	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013376	A28B16C15	110	100	110	48.978	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013392	A29B16C15	110	100	110	66.069	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013424	A31B16C15	110	100	110	69.183	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013440	A32B16C15	110	100	110	51.286	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013456	A33B16C15	110	100	110	61.66	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013488	A35B16C15	110	30.7	110	41.687	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013600	A42B16C15	110	100	110	37.154	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013632	A44B16C15	110	100	110	57.544	110
Cl.Cl.CO.CCCCCC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013633	A1B1C16	110	100	110	16.596	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013681	A4B1C16	110	100	110	41.687	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013761	A9B1C16	110	100	110	39.811	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013793	A11B1C16	110	100	95.23	38.019	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013825	A13B1C16	110	100	110	74.131	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013889	A17B1C16	110	100	110	42.658	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013905	A18B1C16	110	100	110	33.113	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013953	A21B1C16	110	100	110	46.774	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013969	A22B1C16	110	100	110	45.709	110
CO.CCCCCC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013634	A1B2C16	110	25	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013762	A9B2C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013794	A11B2C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013810	A12B2C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013858	A15B2C16	110	76.9	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013890	A17B2C16	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013906	A18B2C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013922	A19B2C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013954	A21B2C16	110	100	110	87.096	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013970	A22B2C16	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013635	A1B3C16	110	100	110	25.704	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013683	A4B3C16	110	100	110	63.096	110
Cl.Cl.CO.CC(C)CC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013699	A5B3C16	110	100	110	70.795	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013731	A7B3C16	110	100	110	66.069	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013763	A9B3C16	110	100	110	87.096	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013795	A11B3C16	110	100	80.92	45.709	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013811	A12B3C16	110	100	110	43.652	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013891	A17B3C16	110	100	110	77.625	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013939	A20B3C16	110	100	110	57.544	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013971	A22B3C16	110	100	110	47.863	110
CO.Nc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013652	A2B4C16	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013716	A6B4C16	110	100	110	110	110
CO.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013748	A8B4C16	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013780	A10B4C16	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013796	A11B4C16	110	100	99.91	110	110
CO.Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013844	A14B4C16	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013956	A21B4C16	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013972	A22B4C16	110	100	110	110	110
CO.CCCCCC=O.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013637	A1B5C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013653	A2B5C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013685	A4B5C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013733	A7B5C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013765	A9B5C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013797	A11B5C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013813	A12B5C16	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013829	A13B5C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013861	A15B5C16	110	100	110	110	110
CO.CSCCC=O.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013877	A16B5C16	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013893	A17B5C16	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013909	A18B5C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013925	A19B5C16	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013734	A7B6C16	110	100	110	110	110
CO.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013750	A8B6C16	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013814	A12B6C16	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013830	A13B6C16	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013958	A21B6C16	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013974	A22B6C16	110	100	110	110	110
CO.CCCCCC=O.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013639	A1B7C16	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013671	A3B7C16	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013687	A4B7C16	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013703	A5B7C16	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013735	A7B7C16	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013863	A15B7C16	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013943	A20B7C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013656	A2B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013672	A3B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013688	A4B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013720	A6B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013736	A7B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013784	A10B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013800	A11B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013816	A12B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013976	A22B8C16	110	100	110	110	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013673	A3B9C16	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013689	A4B9C16	110	100	110	110	110
Cl.CO.CC(C)CC=O.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013705	A5B9C16	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013721	A6B9C16	110	100	110	27.542	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013769	A9B9C16	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013785	A10B9C16	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013833	A13B9C16	110	100	110	110	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013913	A18B9C16	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013929	A19B9C16	110	100	110	41.687	110
Cl.CO.NCc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013961	A21B9C16	110	100	110	110	110
CO.CCCCCC=O.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013642	A1B10C16	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013658	A2B10C16	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013674	A3B10C16	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013706	A5B10C16	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013722	A6B10C16	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013770	A9B10C16	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013786	A10B10C16	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013802	A11B10C16	110	100	99.91	110	110
CO.NCc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013866	A15B10C16	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013898	A17B10C16	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013914	A18B10C16	110	100	110	110	110
CO.NCc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013930	A19B10C16	110	100	110	110	110
CO.NCc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013946	A20B10C16	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013675	A3B11C16	110	100	67.15	23.442	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013691	A4B11C16	100	100	61.75	20.893	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013739	A7B11C16	110	100	110	60.256	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013755	A8B11C16	110	100	110	46.774	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013883	A16B11C16	66.069	100	77.59	36.308	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013899	A17B11C16	110	100	110	46.774	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013963	A21B11C16	66.069	100	63.46	46.774	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013979	A22B11C16	100	100	64.63	34.674	110
CO.NCc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013660	A2B12C16	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013676	A3B12C16	110	100	110	110	110
CO.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013756	A8B12C16	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013772	A9B12C16	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013788	A10B12C16	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013804	A11B12C16	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013852	A14B12C16	110	100	110	110	110
CO.NCc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013868	A15B12C16	110	100	110	110	110
CO.CSCCC=O.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013884	A16B12C16	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013900	A17B12C16	110	100	110	110	110
CO.NCc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013948	A20B12C16	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013645	A1B13C16	39.811	100	88.39	11.22	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013709	A5B13C16	50.119	100	110	30.2	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013725	A6B13C16	29.512	84.8	48.88	23.988	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013741	A7B13C16	20.417	100	89.74	35.481	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013757	A8B13C16	50.119	100	99.91	33.884	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013821	A12B13C16	33.884	100	89.47	33.884	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013869	A15B13C16	40.738	100	110	33.884	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013885	A16B13C16	33.884	100	81.82	36.308	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013901	A17B13C16	43.652	100	110	34.674	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013933	A19B13C16	24.547	97.2	48.43	23.442	110
O.CO.CCCCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013646	A1B14C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013662	A2B14C16	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013678	A3B14C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013694	A4B14C16	110	100	110	110	110
O.CO.CC(C)CC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013710	A5B14C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013742	A7B14C16	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013838	A13B14C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013870	A15B14C16	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013902	A17B14C16	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013918	A18B14C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013934	A19B14C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013982	A22B14C16	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013663	A2B15C16	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013679	A3B15C16	110	100	110	110	110
CO.Nc1ccccc1.Clc1ccc(C=O)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013695	A4B15C16	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013711	A5B15C16	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccco1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013727	A6B15C16	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013743	A7B15C16	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013791	A10B15C16	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013823	A12B15C16	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013855	A14B15C16	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013648	A1B16C16	110	64.1	110	23.442	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013744	A7B16C16	110	100	110	54.954	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013824	A12B16C16	110	100	110	40.738	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013888	A16B16C16	110	100	110	77.625	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013904	A17B16C16	110	100	110	57.544	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013952	A20B16C16	110	100	110	58.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013968	A21B16C16	110	100	110	85.114	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013984	A22B16C16	110	100	110	43.652	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013985	A23B1C16	110	100	110	28.84	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014001	A24B1C16	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014049	A27B1C16	110	100	110	52.481	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014097	A30B1C16	110	100	110	26.303	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014129	A32B1C16	83.176	100	110	22.909	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014145	A33B1C16	110	100	110	47.863	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014161	A34B1C16	61.66	100	56.89	23.988	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014209	A37B1C16	57.544	100	110	25.704	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014305	A43B1C16	110	100	110	45.709	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014321	A44B1C16	110	100	110	34.674	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014018	A25B2C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014050	A27B2C16	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014098	A30B2C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014114	A31B2C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014146	A33B2C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014226	A38B2C16	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014306	A43B2C16	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014322	A44B2C16	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014003	A24B3C16	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014019	A25B3C16	110	100	110	75.858	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014051	A27B3C16	110	100	110	37.154	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014099	A30B3C16	110	100	110	60.256	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014115	A31B3C16	110	100	110	64.565	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014227	A38B3C16	110	100	110	61.66	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014243	A39B3C16	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014259	A40B3C16	110	100	110	75.858	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014307	A43B3C16	110	100	110	70.795	110
CO.CCOC(=O)C1CC1C=O.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014004	A24B4C16	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014036	A26B4C16	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014068	A28B4C16	110	100	110	110	110
CO.Nc1ccncc1.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014116	A31B4C16	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014132	A32B4C16	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014164	A34B4C16	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014180	A35B4C16	110	100	110	110	110
CO.Nc1ccncc1.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014212	A37B4C16	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014276	A41B4C16	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014308	A43B4C16	110	100	110	110	110
O.CO.Nc1ccncc1.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014324	A44B4C16	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014021	A25B5C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014053	A27B5C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014117	A31B5C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014213	A37B5C16	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014261	A40B5C16	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014006	A24B6C16	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014086	A29B6C16	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014166	A34B6C16	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014182	A35B6C16	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014278	A41B6C16	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014294	A42B6C16	110	100	110	110	110
O.CO.Nc1cccnc1.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014326	A44B6C16	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014007	A24B7C16	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014055	A27B7C16	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014071	A28B7C16	110	100	110	110	110
O.CO.Nc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014103	A30B7C16	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014119	A31B7C16	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014151	A33B7C16	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014167	A34B7C16	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014231	A38B7C16	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014279	A41B7C16	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014072	A28B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014120	A31B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014168	A34B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014184	A35B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014216	A37B8C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014264	A40B8C16	110	100	99.46	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014296	A42B8C16	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014057	A27B9C16	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014073	A28B9C16	110	100	110	67.608	110
Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014089	A29B9C16	110	100	110	110	110
O.Cl.CO.NCc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014105	A30B9C16	110	100	110	70.795	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014169	A34B9C16	110	100	110	46.774	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014185	A35B9C16	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014233	A38B9C16	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014249	A39B9C16	110	100	110	33.113	110
Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(N)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014313	A43B9C16	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014010	A24B10C16	110	100	110	110	110
CO.NCc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014058	A27B10C16	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014074	A28B10C16	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014090	A29B10C16	110	100	110	110	110
CO.NCc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014154	A33B10C16	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014266	A40B10C16	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccncc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014282	A41B10C16	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014027	A25B11C16	69.183	48	36.01	33.113	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014043	A26B11C16	97.724	100	35.92	31.623	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014107	A30B11C16	100	100	48.07	30.903	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014171	A34B11C16	36.308	100	32.41	19.055	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014219	A37B11C16	45.709	100	39.25	28.184	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014251	A39B11C16	97.724	100	110	28.84	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014267	A40B11C16	110	100	110	42.658	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014331	A44B11C16	42.658	65.8	0.37	14.125	110
CO.CCOC(=O)C1CC1C=O.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014012	A24B12C16	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014044	A26B12C16	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014076	A28B12C16	110	100	110	110	110
O.CO.NCc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014108	A30B12C16	110	100	110	110	110
CO.NCc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014156	A33B12C16	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014188	A35B12C16	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014236	A38B12C16	110	100	110	110	110
CO.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014252	A39B12C16	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014268	A40B12C16	110	100	110	110	110
CO.CC(=O)C=O.NCc1cccnc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014284	A41B12C16	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014300	A42B12C16	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014061	A27B13C16	91.201	100	88.39	28.84	110
O.Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014109	A30B13C16	66.069	100	110	30.903	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014125	A31B13C16	33.884	100	88.3	35.481	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014141	A32B13C16	29.512	100	110	21.38	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014157	A33B13C16	37.154	100	110	42.658	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014221	A37B13C16	34.674	53.2	52.03	31.623	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014253	A39B13C16	7.413	28.5	91.09	25.119	110
O.CO.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014062	A27B14C16	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014110	A30B14C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014142	A32B14C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014222	A37B14C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CC1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014238	A38B14C16	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014254	A39B14C16	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014334	A44B14C16	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000013999	A23B15C16	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014015	A24B15C16	110	100	110	110	110
CO.Nc1ccccc1.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014127	A31B15C16	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014143	A32B15C16	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccs1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014191	A35B15C16	110	100	110	110	110
CO.Nc1ccccc1.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014223	A37B15C16	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014303	A42B15C16	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014319	A43B15C16	110	100	110	110	110
O.CO.Nc1ccccc1.C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014335	A44B15C16	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014112	A30B16C16	110	100	110	51.286	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014128	A31B16C16	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014144	A32B16C16	110	100	52.3	61.66	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014160	A33B16C16	110	100	110	63.096	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014176	A34B16C16	110	91.7	36.82	38.019	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014224	A37B16C16	110	100	67.33	48.978	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014256	A39B16C16	110	100	110	61.66	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014272	A40B16C16	110	100	110	56.234	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014320	A43B16C16	110	100	110	63.096	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014353	A2B1C17	110	100	110	46.774	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014417	A6B1C17	110	100	110	24.547	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014465	A9B1C17	67.608	100	110	36.308	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014481	A10B1C17	35.481	100	110	24.547	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014497	A11B1C17	66.069	100	54.37	48.978	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014513	A12B1C17	110	100	110	30.903	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014545	A14B1C17	64.565	100	110	26.303	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014561	A15B1C17	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014609	A18B1C17	64.565	100	110	18.197	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014641	A20B1C17	42.658	100	110	12.589	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014657	A21B1C17	110	100	110	41.687	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014673	A22B1C17	110	100	110	27.542	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014418	A6B2C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014434	A7B2C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014450	A8B2C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014482	A10B2C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014514	A12B2C17	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014530	A13B2C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014546	A14B2C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014658	A21B2C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014674	A22B2C17	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014355	A2B3C17	110	100	110	52.481	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014419	A6B3C17	110	100	110	52.481	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014435	A7B3C17	110	100	110	54.954	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014451	A8B3C17	110	100	110	26.303	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014483	A10B3C17	110	100	110	53.703	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014547	A14B3C17	110	100	110	61.66	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014675	A22B3C17	110	100	110	51.286	110
CO.CCCCCC=O.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014340	A1B4C17	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014372	A3B4C17	110	100	110	110	110
CO.Nc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014388	A4B4C17	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014420	A6B4C17	110	100	110	110	110
CO.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014452	A8B4C17	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014468	A9B4C17	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014500	A11B4C17	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014548	A14B4C17	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014612	A18B4C17	110	100	110	110	110
CO.Nc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014628	A19B4C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014437	A7B5C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014453	A8B5C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014485	A10B5C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014517	A12B5C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014549	A14B5C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014677	A22B5C17	110	100	110	110	110
CO.CCCCCC=O.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014342	A1B6C17	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014422	A6B6C17	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014470	A9B6C17	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014486	A10B6C17	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014502	A11B6C17	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014550	A14B6C17	110	100	110	110	110
CO.Nc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014566	A15B6C17	110	100	110	110	110
CO.CSCCC=O.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014582	A16B6C17	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014598	A17B6C17	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014614	A18B6C17	110	100	110	110	110
CO.Nc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014646	A20B6C17	110	100	110	110	110
CO.CCCCCC=O.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014343	A1B7C17	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014519	A12B7C17	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014535	A13B7C17	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014551	A14B7C17	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014567	A15B7C17	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014599	A17B7C17	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014663	A21B7C17	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014344	A1B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014376	A3B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014392	A4B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014424	A6B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014488	A10B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014568	A15B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014584	A16B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014600	A17B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014616	A18B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014632	A19B8C17	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014489	A10B9C17	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014521	A12B9C17	110	100	110	57.544	110
Cl.CO.NCc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014569	A15B9C17	110	100	110	110	110
Cl.CO.CSCCC=O.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014585	A16B9C17	110	100	110	35.481	110
Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014601	A17B9C17	110	100	110	25.704	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014617	A18B9C17	110	100	110	36.308	110
Cl.CO.NCc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014649	A20B9C17	110	100	110	28.184	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014681	A22B9C17	110	100	110	39.811	110
CO.CCCCCC=O.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014346	A1B10C17	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014474	A9B10C17	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014538	A13B10C17	110	100	110	110	110
CO.CSCCC=O.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014586	A16B10C17	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014602	A17B10C17	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014618	A18B10C17	110	100	110	110	110
CO.NCc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014650	A20B10C17	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014363	A2B11C17	110	100	99.91	31.623	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014395	A4B11C17	110	100	54.64	30.903	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014411	A5B11C17	110	100	46.99	39.811	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014427	A6B11C17	61.66	100	46.27	27.542	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1cccnc1	MC-0000014443	A7B11C17	110	100	110	58.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014475	A9B11C17	33.113	100	95.59	58.884	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014539	A13B11C17	54.954	100	110	81.283	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014587	A16B11C17	85.114	100	83.26	37.154	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014619	A18B11C17	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014635	A19B11C17	52.481	100	49.6	28.184	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014667	A21B11C17	110	100	78.13	37.154	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014683	A22B11C17	100	100	71.29	31.623	110
CO.CCCCCC=O.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014348	A1B12C17	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014380	A3B12C17	110	100	110	110	110
CO.NCc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014396	A4B12C17	110	100	110	110	110
CO.CC(C)CC=O.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014412	A5B12C17	110	100	110	110	110
CO.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014460	A8B12C17	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014476	A9B12C17	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014508	A11B12C17	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014524	A12B12C17	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014540	A13B12C17	110	100	110	110	110
CO.NCc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014572	A15B12C17	110	100	110	110	110
CO.CSCCC=O.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014588	A16B12C17	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014604	A17B12C17	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014668	A21B12C17	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014349	A1B13C17	29.512	70.5	84.16	18.197	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014365	A2B13C17	29.512	100	110	45.709	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014381	A3B13C17	54.954	100	110	38.905	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014397	A4B13C17	38.019	100	99.91	34.674	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014429	A6B13C17	28.184	83.9	41.41	21.878	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014477	A9B13C17	23.442	66.6	95.41	29.512	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014493	A10B13C17	26.303	100	99.91	42.658	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014525	A12B13C17	19.498	100	86.05	25.119	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014557	A14B13C17	33.884	100	110	47.863	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014589	A16B13C17	30.903	100	66.25	27.542	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014637	A19B13C17	36.308	100	59.14	22.387	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014653	A20B13C17	36.308	100	110	27.542	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014685	A22B13C17	30.2	100	99.91	36.308	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1cccnc1	MC-0000014366	A2B14C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014430	A6B14C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014462	A8B14C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014494	A10B14C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014558	A14B14C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014670	A21B14C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014686	A22B14C17	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014383	A3B15C17	110	100	110	110	110
CO.Nc1ccccc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014399	A4B15C17	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014415	A5B15C17	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014431	A6B15C17	110	100	110	110	110
CO.Nc1ccccc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014463	A8B15C17	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014479	A9B15C17	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014495	A10B15C17	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014511	A11B15C17	110	100	110	110	110
CO.CSCCC=O.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014591	A16B15C17	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014607	A17B15C17	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014623	A18B15C17	110	100	110	110	110
CO.Nc1ccccc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014639	A19B15C17	110	100	110	110	110
CO.Nc1ccccc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014655	A20B15C17	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014384	A3B16C17	110	100	110	57.544	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]Cc1cccnc1	MC-0000014432	A6B16C17	110	100	110	22.909	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014464	A8B16C17	110	100	110	28.184	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1cccnc1	MC-0000014496	A10B16C17	110	100	110	42.658	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1cccnc1	MC-0000014512	A11B16C17	110	64.3	52.21	61.66	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014528	A12B16C17	110	100	110	38.019	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014544	A13B16C17	110	100	110	46.774	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014560	A14B16C17	110	100	110	31.623	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]Cc1cccnc1	MC-0000014640	A19B16C17	110	100	110	37.154	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]Cc1cccnc1	MC-0000014672	A21B16C17	110	100	110	74.131	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014688	A22B16C17	110	100	110	54.954	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014689	A23B1C17	110	100	110	24.547	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014705	A24B1C17	110	100	110	41.687	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014737	A26B1C17	83.176	100	110	25.119	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014769	A28B1C17	110	100	110	70.795	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014785	A29B1C17	57.544	100	110	30.903	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014801	A30B1C17	70.795	100	110	18.621	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014849	A33B1C17	51.286	100	110	22.387	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014881	A35B1C17	70.795	100	110	26.915	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014913	A37B1C17	100	100	110	23.988	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000015009	A43B1C17	110	100	110	40.738	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014690	A23B2C17	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014706	A24B2C17	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014770	A28B2C17	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014786	A29B2C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014818	A31B2C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014834	A32B2C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014882	A35B2C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014914	A37B2C17	110	100	110	110	110
CO.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014978	A41B2C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014994	A42B2C17	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000015010	A43B2C17	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014691	A23B3C17	110	100	110	29.512	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014707	A24B3C17	110	100	110	67.608	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014739	A26B3C17	110	100	110	36.308	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014787	A29B3C17	110	100	110	37.154	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014819	A31B3C17	110	100	110	38.905	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014867	A34B3C17	110	100	99.91	29.512	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014915	A37B3C17	110	100	110	19.953	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014995	A42B3C17	110	100	110	57.544	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000015011	A43B3C17	110	100	110	45.709	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015027	A44B3C17	110	100	110	48.978	110
CO.Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014740	A26B4C17	110	100	110	110	110
CO.Nc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014756	A27B4C17	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014772	A28B4C17	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014788	A29B4C17	110	100	110	110	110
CO.Nc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014852	A33B4C17	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014868	A34B4C17	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014932	A38B4C17	110	100	110	110	110
CO.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014948	A39B4C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014693	A23B5C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014741	A26B5C17	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014773	A28B5C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014821	A31B5C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014837	A32B5C17	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014869	A34B5C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014917	A37B5C17	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014981	A41B5C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014997	A42B5C17	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015029	A44B5C17	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014710	A24B6C17	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014726	A25B6C17	110	100	110	110	110
CO.Nc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014758	A27B6C17	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014790	A29B6C17	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014934	A38B6C17	110	100	110	110	110
CO.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014950	A39B6C17	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014982	A41B6C17	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000014998	A42B6C17	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014695	A23B7C17	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014727	A25B7C17	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014791	A29B7C17	110	100	110	110	110
O.CO.Nc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014807	A30B7C17	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014823	A31B7C17	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014839	A32B7C17	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014887	A35B7C17	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014951	A39B7C17	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000015015	A43B7C17	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014712	A24B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)ccc1OCc2ccccc2.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014728	A25B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014760	A27B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014776	A28B8C17	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014792	A29B8C17	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014808	A30B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014936	A38B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014952	A39B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1cccnc1	MC-0000014984	A41B8C17	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014697	A23B9C17	110	100	110	41.687	110
Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014713	A24B9C17	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014825	A31B9C17	110	100	110	81.283	110
Cl.CO.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014857	A33B9C17	110	100	110	33.884	110
Cl.CO.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014953	A39B9C17	110	100	110	37.154	110
Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000015017	A43B9C17	110	100	110	28.184	110
O.Cl.CO.NCc1cccc(N)c1.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015033	A44B9C17	110	100	110	70.795	110
CO.NCc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014698	A23B10C17	110	100	110	110	110
CO.NCc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014762	A27B10C17	110	100	110	110	110
O.CO.NCc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014810	A30B10C17	110	100	110	110	110
CO.NCc1ccncc1.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014826	A31B10C17	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014842	A32B10C17	110	100	110	110	110
CO.NCc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014858	A33B10C17	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014874	A34B10C17	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014938	A38B10C17	110	100	110	110	110
CO.NCc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014954	A39B10C17	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000014986	A41B10C17	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccncc1.[C-]#[N+]Cc1cccnc1	MC-0000015018	A43B10C17	110	100	110	110	110
O.CO.NCc1ccncc1.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015034	A44B10C17	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014699	A23B11C17	60.256	100	37.54	23.988	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014747	A26B11C17	85.114	90.8	54.37	30.903	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014795	A29B11C17	100	100	48.61	41.687	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014843	A32B11C17	110	100	110	53.703	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014859	A33B11C17	79.433	100	58.24	35.481	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014891	A35B11C17	110	100	66.07	43.652	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000014987	A41B11C17	70.795	100	18.19	25.119	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000015003	A42B11C17	110	100	92.98	36.308	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1cccnc1	MC-0000015019	A43B11C17	97.724	100	73.27	37.154	110
CO.NCc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014700	A23B12C17	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014732	A25B12C17	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014844	A32B12C17	110	100	110	110	110
CO.NCc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014860	A33B12C17	110	100	110	110	110
CO.NCc1cccnc1.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014924	A37B12C17	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014940	A38B12C17	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014972	A40B12C17	110	100	110	110	110
CO.CC(=O)C=O.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000014988	A41B12C17	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1cccnc1.[C-]#[N+]Cc1cccnc1	MC-0000015020	A43B12C17	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014717	A24B13C17	64.565	100	110	22.909	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014733	A25B13C17	34.674	58.8	88.12	53.703	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014749	A26B13C17	40.738	59.5	99.91	32.359	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014765	A27B13C17	77.625	100	82.27	36.308	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014781	A28B13C17	41.687	80	110	30.2	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014797	A29B13C17	45.709	100	110	40.738	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]Cc1cccnc1	MC-0000014893	A35B13C17	21.878	100	77.23	29.512	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014941	A38B13C17	50.119	100	87.49	29.512	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014957	A39B13C17	22.387	21.7	63.73	24.547	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014973	A40B13C17	44.668	52.4	110	22.909	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1cccnc1	MC-0000014989	A41B13C17	33.884	64.3	86.5	24.547	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000015005	A42B13C17	28.84	93.9	91.36	32.359	110
O.CO.CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000014718	A24B14C17	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000014782	A28B14C17	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000014798	A29B14C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014830	A31B14C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014846	A32B14C17	110	100	110	110	110
O.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1cccnc1	MC-0000014878	A34B14C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC=O.[C-]#[N+]Cc1cccnc1	MC-0000014926	A37B14C17	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1cccnc1	MC-0000015006	A42B14C17	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015038	A44B14C17	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014719	A24B15C17	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014735	A25B15C17	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1cccnc1	MC-0000014751	A26B15C17	110	100	110	110	110
CO.Nc1ccccc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1cccnc1	MC-0000014767	A27B15C17	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014783	A28B15C17	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014799	A29B15C17	110	100	110	110	110
O.CO.Nc1ccccc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1cccnc1	MC-0000014815	A30B15C17	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014879	A34B15C17	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CC1.[C-]#[N+]Cc1cccnc1	MC-0000014943	A38B15C17	110	100	110	110	110
CO.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1cccnc1	MC-0000014959	A39B15C17	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1cccnc1	MC-0000014975	A40B15C17	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014991	A41B15C17	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014784	A28B16C17	110	100	110	53.703	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014800	A29B16C17	110	100	110	33.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]Cc1cccnc1	MC-0000014832	A31B16C17	110	100	110	54.954	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]Cc1cccnc1	MC-0000014848	A32B16C17	110	100	110	69.183	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000014992	A41B16C17	110	100	110	42.658	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1cccnc1	MC-0000015024	A43B16C17	110	100	110	54.954	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]Cc1cccnc1	MC-0000015040	A44B16C17	110	100	110	61.66	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015137	A7B1C18	110	100	110	63.096	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015153	A8B1C18	110	100	110	51.286	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015185	A10B1C18	95.499	100	110	63.096	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015217	A12B1C18	110	100	110	40.738	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015233	A13B1C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015249	A14B1C18	110	100	110	57.544	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015122	A6B2C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015138	A7B2C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015186	A10B2C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015218	A12B2C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015250	A14B2C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015362	A21B2C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015378	A22B2C18	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015123	A6B3C18	110	100	110	42.658	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015139	A7B3C18	110	100	110	61.66	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015219	A12B3C18	110	100	110	36.308	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015235	A13B3C18	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015363	A21B3C18	110	100	110	72.444	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015379	A22B3C18	110	100	110	52.481	110
CO.CC(C)CC=O.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015108	A5B4C18	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015172	A9B4C18	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015188	A10B4C18	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015252	A14B4C18	110	100	110	110	110
CO.Nc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015268	A15B4C18	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015300	A17B4C18	110	100	110	110	110
CO.Nc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015332	A19B4C18	110	100	110	110	110
CO.Nc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015348	A20B4C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015061	A2B5C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015125	A6B5C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015221	A12B5C18	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015237	A13B5C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015253	A14B5C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015365	A21B5C18	110	100	110	110	110
CO.CCCCCC=O.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015046	A1B6C18	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015078	A3B6C18	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015110	A5B6C18	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015126	A6B6C18	110	100	110	110	110
CO.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015158	A8B6C18	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015206	A11B6C18	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015254	A14B6C18	110	100	110	110	110
CO.Nc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015270	A15B6C18	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015318	A18B6C18	110	100	110	110	110
CO.Nc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015334	A19B6C18	110	100	110	110	110
CO.CCCCCC=O.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015047	A1B7C18	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015063	A2B7C18	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015223	A12B7C18	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015271	A15B7C18	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015303	A17B7C18	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015367	A21B7C18	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015048	A1B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015080	A3B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015096	A4B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015112	A5B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015128	A6B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015160	A8B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015176	A9B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015192	A10B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015272	A15B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015336	A19B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015352	A20B8C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015145	A7B9C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015161	A8B9C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015177	A9B9C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015193	A10B9C18	110	100	110	110	110
Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015305	A17B9C18	110	100	110	75.858	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015321	A18B9C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015353	A20B9C18	110	100	110	30.2	110
CO.NCc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015098	A4B10C18	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015114	A5B10C18	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015146	A7B10C18	110	100	110	110	110
CO.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015162	A8B10C18	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015178	A9B10C18	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015210	A11B10C18	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015242	A13B10C18	110	100	110	110	110
CO.NCc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015274	A15B10C18	110	100	110	110	110
CO.CSCCC=O.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015290	A16B10C18	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015322	A18B10C18	110	100	110	110	110
CO.NCc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015338	A19B10C18	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015386	A22B10C18	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015051	A1B11C18	63.096	100	18.01	20.417	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015067	A2B11C18	110	100	35.38	19.055	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015099	A4B11C18	110	100	52.21	28.184	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015115	A5B11C18	100	100	58.87	26.303	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015179	A9B11C18	28.84	100	99.91	47.863	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015195	A10B11C18	64.565	100	55.36	33.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015211	A11B11C18	61.66	100	110	33.113	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015227	A12B11C18	91.201	100	58.42	30.2	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015259	A14B11C18	39.811	100	75.34	26.303	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015307	A17B11C18	93.325	100	71.38	31.623	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015323	A18B11C18	93.325	100	57.88	30.2	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015355	A20B11C18	42.658	100	80.38	33.113	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015371	A21B11C18	95.499	100	70.93	37.154	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015387	A22B11C18	100	100	66.61	28.84	110
CO.CCCCCC=O.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015052	A1B12C18	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015084	A3B12C18	110	100	110	110	110
CO.NCc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015100	A4B12C18	110	100	110	110	110
CO.CC(C)CC=O.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015116	A5B12C18	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]Cc1ccccc1	MC-0000015148	A7B12C18	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015180	A9B12C18	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015244	A13B12C18	110	100	110	110	110
CO.CSCCC=O.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015292	A16B12C18	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015308	A17B12C18	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015324	A18B12C18	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015372	A21B12C18	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015388	A22B12C18	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015069	A2B13C18	34.674	100	110	21.878	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015085	A3B13C18	57.544	100	110	30.903	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015101	A4B13C18	41.687	100	99.91	26.303	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015117	A5B13C18	52.481	100	110	33.113	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015133	A6B13C18	32.359	100	45.91	24.547	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015165	A8B13C18	39.811	100	93.07	30.903	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015229	A12B13C18	35.481	100	110	29.512	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015245	A13B13C18	37.154	100	110	29.512	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015261	A14B13C18	42.658	100	110	36.308	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015293	A16B13C18	34.674	100	77.41	28.84	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015325	A18B13C18	37.154	100	110	27.542	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]Cc1ccccc1	MC-0000015341	A19B13C18	33.113	100	66.79	25.704	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015357	A20B13C18	36.308	100	94.24	30.2	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015373	A21B13C18	41.687	100	110	33.884	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015070	A2B14C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015134	A6B14C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015166	A8B14C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015230	A12B14C18	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015246	A13B14C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015262	A14B14C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CCCCC1.[C-]#[N+]Cc1ccccc1	MC-0000015374	A21B14C18	110	100	110	110	110
CO.Nc1ccccc1.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015103	A4B15C18	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015119	A5B15C18	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015135	A6B15C18	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015183	A9B15C18	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015199	A10B15C18	110	100	110	110	110
CO.Nc1ccccc1.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015279	A15B15C18	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015311	A17B15C18	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015327	A18B15C18	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]Cc1ccccc1	MC-0000015072	A2B16C18	110	100	110	44.668	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015088	A3B16C18	110	100	110	60.256	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015104	A4B16C18	110	100	110	52.481	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015120	A5B16C18	110	100	110	66.069	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]Cc1ccccc1	MC-0000015136	A6B16C18	110	100	110	46.774	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]Cc1ccccc1	MC-0000015184	A9B16C18	110	100	110	69.183	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]Cc1ccccc1	MC-0000015216	A11B16C18	110	100	80.38	56.234	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015232	A12B16C18	110	100	110	33.113	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015248	A13B16C18	110	100	110	83.176	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015280	A15B16C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015393	A23B1C18	110	100	110	39.811	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015441	A26B1C18	110	100	110	53.703	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015473	A28B1C18	110	100	110	57.544	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015553	A33B1C18	70.795	100	110	52.481	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015569	A34B1C18	87.096	100	43.39	29.512	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015585	A35B1C18	110	100	110	93.325	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015665	A40B1C18	63.096	100	110	41.687	110
Cl.Cl.CO.CC(=O)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015681	A41B1C18	110	100	110	40.738	110
CO.CCOC(=O)C1CC1C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015410	A24B2C18	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015474	A28B2C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015522	A31B2C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015586	A35B2C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015618	A37B2C18	110	100	110	110	110
CO.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015682	A41B2C18	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015730	A44B2C18	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015491	A29B3C18	110	100	110	57.544	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015523	A31B3C18	110	100	110	79.433	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015539	A32B3C18	110	100	110	50.119	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015571	A34B3C18	110	100	53.65	31.623	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015587	A35B3C18	110	100	110	77.625	110
Cl.Cl.CO.CC(=O)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015683	A41B3C18	110	100	110	37.154	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015715	A43B3C18	110	100	110	61.66	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015731	A44B3C18	110	100	110	44.668	110
CO.CCOC(=O)C1CC1C=O.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015412	A24B4C18	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015444	A26B4C18	110	100	110	110	110
CO.Nc1ccncc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015460	A27B4C18	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015476	A28B4C18	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015492	A29B4C18	110	100	110	110	110
O.CO.Nc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015508	A30B4C18	110	100	110	110	110
CO.Nc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015556	A33B4C18	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015636	A38B4C18	110	100	110	110	110
CO.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015652	A39B4C18	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015684	A41B4C18	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015700	A42B4C18	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015413	A24B5C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015445	A26B5C18	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015493	A29B5C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015541	A32B5C18	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015573	A34B5C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015621	A37B5C18	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015685	A41B5C18	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015414	A24B6C18	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015430	A25B6C18	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015446	A26B6C18	110	100	110	110	110
CO.Nc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015462	A27B6C18	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015478	A28B6C18	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015494	A29B6C18	110	100	110	110	110
O.CO.Nc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015510	A30B6C18	110	100	110	110	110
CO.Nc1cccnc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015558	A33B6C18	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015574	A34B6C18	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015590	A35B6C18	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015686	A41B6C18	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015702	A42B6C18	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015447	A26B7C18	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015495	A29B7C18	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015527	A31B7C18	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015591	A35B7C18	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015703	A42B7C18	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015719	A43B7C18	110	100	110	110	110
O.CO.Nc1cccc(N)c1.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015735	A44B7C18	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015416	A24B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015464	A27B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.COc1ccc2[nH]cc(C=O)c2c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]Cc1ccccc1	MC-0000015480	A28B8C18	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015512	A30B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015560	A33B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015640	A38B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015656	A39B8C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015672	A40B8C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015401	A23B9C18	110	100	110	50.119	110
Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015417	A24B9C18	110	100	110	110	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015433	A25B9C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015545	A32B9C18	110	100	110	52.481	110
Cl.CO.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015561	A33B9C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015641	A38B9C18	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015673	A40B9C18	110	100	110	54.954	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015705	A42B9C18	110	100	110	85.114	110
O.Cl.CO.NCc1cccc(N)c1.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015737	A44B9C18	110	100	110	54.954	110
O.CO.NCc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015514	A30B10C18	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015546	A32B10C18	110	100	110	110	110
CO.NCc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015562	A33B10C18	110	100	110	110	110
CO.NCc1ccncc1.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015626	A37B10C18	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015674	A40B10C18	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccncc1.[C-]#[N+]Cc1ccccc1	MC-0000015722	A43B10C18	110	100	110	110	110
O.CO.NCc1ccncc1.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015738	A44B10C18	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015403	A23B11C18	50.119	100	25.39	26.303	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015451	A26B11C18	74.131	100	48.88	26.915	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015483	A28B11C18	110	100	45.01	25.119	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015531	A31B11C18	110	100	91.72	66.069	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015579	A34B11C18	40.738	100	35.56	25.704	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015595	A35B11C18	110	100	96.49	42.658	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015627	A37B11C18	45.709	100	40.51	28.84	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1ccc(N)cc1.[C-]#[N+]Cc1ccccc1	MC-0000015723	A43B11C18	91.201	100	55.36	38.019	110
CO.NCc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015404	A23B12C18	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015436	A25B12C18	110	100	110	110	110
CO.NCc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015468	A27B12C18	110	100	110	110	110
O.CO.NCc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015516	A30B12C18	110	100	110	110	110
CO.NCc1cccnc1.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015628	A37B12C18	110	100	110	110	110
CO.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015660	A39B12C18	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015676	A40B12C18	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1cccnc1.[C-]#[N+]Cc1ccccc1	MC-0000015724	A43B12C18	110	100	110	110	110
O.CO.NCc1cccnc1.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015740	A44B12C18	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015405	A23B13C18	69.183	100	83.8	23.442	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015421	A24B13C18	58.884	100	110	36.308	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015597	A35B13C18	38.905	100	110	38.019	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015677	A40B13C18	57.544	100	94.42	23.442	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015693	A41B13C18	30.903	100	75.61	17.378	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015709	A42B13C18	30.903	100	110	37.154	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]Cc1ccccc1	MC-0000015725	A43B13C18	32.359	100	110	39.811	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015406	A23B14C18	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015422	A24B14C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015454	A26B14C18	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015502	A29B14C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015534	A31B14C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015550	A32B14C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccs1.[C-]#[N+]Cc1ccccc1	MC-0000015598	A35B14C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC=O.[C-]#[N+]Cc1ccccc1	MC-0000015630	A37B14C18	110	100	110	110	110
O.CO.CC(=O)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]Cc1ccccc1	MC-0000015694	A41B14C18	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]Cc1ccccc1	MC-0000015710	A42B14C18	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=O.[C-]#[N+]Cc1ccccc1	MC-0000015742	A44B14C18	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015423	A24B15C18	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015455	A26B15C18	110	100	110	110	110
CO.Nc1ccccc1.OCC(O)C(O)CC=O.[C-]#[N+]Cc1ccccc1	MC-0000015471	A27B15C18	110	100	110	110	110
O.CO.Nc1ccccc1.O=Cc1ncc[nH]1.[C-]#[N+]Cc1ccccc1	MC-0000015519	A30B15C18	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015583	A34B15C18	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015647	A38B15C18	110	100	110	110	110
CO.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]Cc1ccccc1	MC-0000015663	A39B15C18	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1C=O.[C-]#[N+]Cc1ccccc1	MC-0000015679	A40B15C18	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015440	A25B16C18	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]Cc1ccccc1	MC-0000015456	A26B16C18	110	100	110	70.795	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]Cc1ccccc1	MC-0000015536	A31B16C18	110	100	110	61.66	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]Cc1ccccc1	MC-0000015552	A32B16C18	110	100	110	79.433	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015584	A34B16C18	110	100	43.39	42.658	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]Cc1ccccc1	MC-0000015648	A38B16C18	110	100	110	87.096	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015696	A41B16C18	110	100	110	50.119	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]Cc1ccccc1	MC-0000015728	A43B16C18	110	100	110	58.884	110
Cl.Cl.CO.CCCCCC=O.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015745	A1B1C19	46.774	100	110	31.623	110
Cl.Cl.CO.CC(C)CC=O.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015809	A5B1C19	46.774	100	110	39.811	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015873	A9B1C19	33.884	100	110	30.2	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015905	A11B1C19	41.687	100	83.8	32.359	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015937	A13B1C19	22.387	100	110	11.482	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015969	A15B1C19	81.283	100	110	32.359	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016001	A17B1C19	50.119	100	110	25.119	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016017	A18B1C19	54.954	100	110	24.547	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016033	A19B1C19	70.795	100	110	26.303	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016049	A20B1C19	67.608	100	110	28.184	110
CO.CCCCCC=O.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015746	A1B2C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015794	A4B2C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015890	A10B2C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015906	A11B2C19	110	100	110	110	110
CO.CSCCC=O.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015986	A16B2C19	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016002	A17B2C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016034	A19B2C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016050	A20B2C19	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015747	A1B3C19	89.125	46.3	110	28.84	110
Cl.Cl.CO.CC(C)CC=O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015811	A5B3C19	110	100	110	29.512	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015827	A6B3C19	110	100	110	21.878	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015859	A8B3C19	110	100	110	25.704	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015875	A9B3C19	72.444	100	110	20.893	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015891	A10B3C19	110	100	110	24.547	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015907	A11B3C19	110	100	86.86	41.687	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015923	A12B3C19	95.499	100	110	26.915	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015971	A15B3C19	64.565	100	110	31.623	100
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016003	A17B3C19	42.658	99.9	110	29.512	110
CO.CCCCCC=O.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015748	A1B4C19	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015764	A2B4C19	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015812	A5B4C19	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015876	A9B4C19	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015908	A11B4C19	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015924	A12B4C19	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015940	A13B4C19	110	100	110	110	110
CO.Nc1ccncc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015972	A15B4C19	110	100	110	110	110
CO.CSCCC=O.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015988	A16B4C19	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016020	A18B4C19	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016084	A22B4C19	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015813	A5B5C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015829	A6B5C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015861	A8B5C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015877	A9B5C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015893	A10B5C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015909	A11B5C19	110	100	110	110	110
CO.CSCCC=O.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015989	A16B5C19	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016005	A17B5C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016037	A19B5C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016053	A20B5C19	110	100	110	110	110
CO.CCCCCC=O.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015750	A1B6C19	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015782	A3B6C19	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015878	A9B6C19	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015910	A11B6C19	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015926	A12B6C19	110	100	110	110	110
CO.CSCCC=O.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015990	A16B6C19	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016022	A18B6C19	110	100	110	110	110
CO.Nc1cccnc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016038	A19B6C19	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015767	A2B7C19	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015799	A4B7C19	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015831	A6B7C19	110	100	110	110	110
CO.Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015863	A8B7C19	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015895	A10B7C19	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015911	A11B7C19	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016023	A18B7C19	110	100	110	110	110
CO.Nc1cccc(N)c1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016039	A19B7C19	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016087	A22B7C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015768	A2B8C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015928	A12B8C19	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015944	A13B8C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015960	A14B8C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015976	A15B8C19	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016008	A17B8C19	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016024	A18B8C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016056	A20B8C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016088	A22B8C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015769	A2B9C19	110	100	110	110	110
Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015785	A3B9C19	110	100	110	30.903	110
Cl.CO.CC(C)CC=O.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015817	A5B9C19	110	100	110	60.256	110
Cl.CO.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015865	A8B9C19	110	100	110	61.66	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015913	A11B9C19	110	100	110	75.858	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015929	A12B9C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015961	A14B9C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016041	A19B9C19	110	100	110	26.915	110
Cl.CO.NCc1cccc(N)c1.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016073	A21B9C19	110	100	110	52.481	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015898	A10B10C19	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016074	A21B10C19	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015787	A3B11C19	110	100	81.91	41.687	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015803	A4B11C19	110	100	66.88	43.652	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015819	A5B11C19	100	100	63.64	38.019	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015835	A6B11C19	70.795	100	59.23	33.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015867	A8B11C19	110	100	73.63	43.652	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015899	A10B11C19	110	100	93.61	42.658	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015931	A12B11C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015979	A15B11C19	83.176	100	91.63	50.119	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015995	A16B11C19	70.795	100	68.68	18.197	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016011	A17B11C19	110	100	99.91	58.884	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016027	A18B11C19	110	100	70.39	44.668	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016043	A19B11C19	69.183	100	64	31.623	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016059	A20B11C19	44.668	100	77.05	28.184	110
CO.NCc1cccnc1.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015836	A6B12C19	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015852	A7B12C19	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015900	A10B12C19	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015932	A12B12C19	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015948	A13B12C19	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CCCCC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016076	A21B12C19	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015757	A1B13C19	46.774	100	99.91	23.988	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015805	A4B13C19	60.256	100	110	34.674	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015821	A5B13C19	54.954	100	110	36.308	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015869	A8B13C19	67.608	100	110	33.884	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015885	A9B13C19	20.417	74.3	110	33.113	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015901	A10B13C19	64.565	100	110	58.884	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015917	A11B13C19	42.658	100	84.43	38.019	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015981	A15B13C19	46.774	100	110	33.884	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015997	A16B13C19	34.674	100	110	18.621	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016013	A17B13C19	42.658	100	110	17.783	110
O.CO.CCCCCC=O.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015758	A1B14C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015806	A4B14C19	110	100	110	110	110
O.CO.CC(C)CC=O.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015822	A5B14C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015838	A6B14C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015886	A9B14C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015902	A10B14C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015918	A11B14C19	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016014	A17B14C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016046	A19B14C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016062	A20B14C19	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015775	A2B15C19	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015855	A7B15C19	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015951	A13B15C19	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015967	A14B15C19	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016031	A18B15C19	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015824	A5B16C19	110	100	110	45.709	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015840	A6B16C19	110	69.7	110	25.119	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015856	A7B16C19	110	33.3	110	41.687	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015904	A10B16C19	110	74.2	110	38.019	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000015984	A15B16C19	85.114	61.8	110	38.905	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016000	A16B16C19	110	100	110	25.704	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016016	A17B16C19	33.884	21.2	110	27.542	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016032	A18B16C19	110	75.1	110	31.623	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016048	A19B16C19	110	77.7	110	28.184	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016064	A20B16C19	110	100	110	33.113	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016225	A31B1C19	40.738	100	110	22.909	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016241	A32B1C19	10.233	100	92.26	2.884	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016257	A33B1C19	44.668	100	110	19.953	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016321	A37B1C19	66.069	100	110	16.218	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016337	A38B1C19	37.154	100	110	16.982	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016353	A39B1C19	38.019	100	110	18.621	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016369	A40B1C19	54.954	100	110	27.542	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016146	A26B2C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016162	A27B2C19	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016194	A29B2C19	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016274	A34B2C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016338	A38B2C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016354	A39B2C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016370	A40B2C19	110	100	110	110	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016211	A30B3C19	46.774	100	99.91	22.909	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016259	A33B3C19	43.652	100	110	26.915	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016275	A34B3C19	110	100	84.52	22.909	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016355	A39B3C19	97.724	100	110	26.915	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016371	A40B3C19	110	100	110	25.119	110
Cl.Cl.CO.CC(=O)C=O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016387	A41B3C19	85.114	100	110	23.988	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016132	A25B4C19	110	100	110	110	110
CO.Nc1ccncc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016164	A27B4C19	110	100	110	110	110
O.CO.Nc1ccncc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016212	A30B4C19	110	100	110	110	110
CO.Nc1ccncc1.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016228	A31B4C19	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016244	A32B4C19	110	100	110	110	110
CO.Nc1ccncc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016260	A33B4C19	110	100	110	110	110
CO.Nc1ccncc1.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016324	A37B4C19	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016340	A38B4C19	110	100	110	110	110
O.CO.Nc1ccncc1.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016436	A44B4C19	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016117	A24B5C19	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016133	A25B5C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016165	A27B5C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016261	A33B5C19	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016277	A34B5C19	110	100	110	83.176	110
CO.NCc1ccc(N)cc1.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016293	A35B5C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016341	A38B5C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016357	A39B5C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016373	A40B5C19	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016389	A41B5C19	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016405	A42B5C19	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016134	A25B6C19	110	100	110	110	110
CO.Nc1cccnc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016262	A33B6C19	110	100	110	110	110
CO.Nc1cccnc1.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016326	A37B6C19	110	100	110	110	110
CO.Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016358	A39B6C19	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016374	A40B6C19	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016422	A43B6C19	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016119	A24B7C19	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016183	A28B7C19	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016279	A34B7C19	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016295	A35B7C19	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016327	A37B7C19	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016407	A42B7C19	110	100	110	110	110
O.CO.Nc1cccc(N)c1.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016439	A44B7C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016168	A27B8C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016264	A33B8C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016296	A35B8C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016360	A39B8C19	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016408	A42B8C19	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016440	A44B8C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016105	A23B9C19	110	100	110	51.286	110
Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016121	A24B9C19	110	100	110	35.481	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016137	A25B9C19	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016153	A26B9C19	110	100	110	110	110
Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016201	A29B9C19	110	100	110	27.542	110
Cl.CO.NCc1cccc(N)c1.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016233	A31B9C19	110	100	110	79.433	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016249	A32B9C19	110	100	110	25.119	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016281	A34B9C19	110	100	110	60.256	110
Cl.CO.NCc1cccc(N)c1.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016329	A37B9C19	110	100	110	23.988	110
Cl.CO.NCc1cccc(N)c1.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016345	A38B9C19	110	100	110	37.154	110
Cl.CO.CC(=O)C=O.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016393	A41B9C19	110	100	110	25.119	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016409	A42B9C19	110	100	110	30.903	110
Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016425	A43B9C19	110	100	110	31.623	110
CO.CCOC(=O)C1CC1C=O.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016122	A24B10C19	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016186	A28B10C19	110	100	110	110	110
CO.NCc1ccncc1.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016234	A31B10C19	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016250	A32B10C19	110	100	110	110	110
CO.NCc1ccncc1.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016330	A37B10C19	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016410	A42B10C19	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016107	A23B11C19	83.176	100	48.25	28.184	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016123	A24B11C19	110	100	65.53	33.113	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016171	A27B11C19	100	100	58.42	29.512	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016187	A28B11C19	110	100	43.84	30.903	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016219	A30B11C19	29.512	100	64.36	25.704	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016267	A33B11C19	91.201	100	56.08	33.113	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016347	A38B11C19	110	100	110	64.565	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016363	A39B11C19	74.131	100	75.07	18.197	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016395	A41B11C19	91.201	100	40.51	30.903	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016443	A44B11C19	46.774	100	35.92	1.38	72.444
CO.NCc1cccnc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016108	A23B12C19	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016124	A24B12C19	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016140	A25B12C19	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016156	A26B12C19	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016188	A28B12C19	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016204	A29B12C19	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccn1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016252	A32B12C19	110	100	110	110	110
CO.NCc1cccnc1.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016332	A37B12C19	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016412	A42B12C19	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1cccnc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016428	A43B12C19	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016141	A25B13C19	37.154	100	110	38.905	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016237	A31B13C19	29.512	100	110	23.442	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016365	A39B13C19	8.71	56.9	91.09	11.749	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016381	A40B13C19	51.286	100	110	15.488	95.499
O.CO.CCOC(=O)C1CC1C=O.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016126	A24B14C19	110	100	110	110	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016142	A25B14C19	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016190	A28B14C19	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016222	A30B14C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CC1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016350	A38B14C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016366	A39B14C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016382	A40B14C19	110	100	110	110	110
O.CO.CC(=O)C=O.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016398	A41B14C19	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016414	A42B14C19	110	100	110	110	110
CO.Nc1ccccc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016175	A27B15C19	110	100	110	110	110
CO.Nc1ccccc1.O=CCc1ccccc1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016239	A31B15C19	110	100	110	110	110
CO.Nc1ccccc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016271	A33B15C19	110	100	110	110	110
CO.Nc1ccccc1.OCC=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016335	A37B15C19	110	100	110	110	110
CO.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016367	A39B15C19	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016128	A24B16C19	110	57.6	110	26.915	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016272	A33B16C19	41.687	81.8	110	29.512	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016288	A34B16C19	110	71.5	99.91	31.623	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016384	A40B16C19	110	90.7	110	24.547	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016400	A41B16C19	100	100	110	22.909	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016625	A12B1C20	110	100	110	42.658	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016641	A13B1C20	110	100	110	61.66	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016769	A21B1C20	110	100	110	66.069	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016466	A2B2C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016546	A7B2C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016626	A12B2C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016658	A14B2C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016674	A15B2C20	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016706	A17B2C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016770	A21B2C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016786	A22B2C20	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016451	A1B3C20	110	100	110	27.542	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016467	A2B3C20	110	100	110	74.131	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016547	A7B3C20	110	100	110	47.863	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016659	A14B3C20	110	100	110	48.978	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016707	A17B3C20	110	100	110	37.154	110
CO.Nc1ccncc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016468	A2B4C20	110	100	110	110	110
CO.Nc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016500	A4B4C20	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016516	A5B4C20	110	100	110	110	110
CO.Nc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016564	A8B4C20	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016596	A10B4C20	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016612	A11B4C20	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016628	A12B4C20	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016724	A18B4C20	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016772	A21B4C20	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016788	A22B4C20	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016469	A2B5C20	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016709	A17B5C20	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016773	A21B5C20	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016789	A22B5C20	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016534	A6B6C20	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016598	A10B6C20	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016646	A13B6C20	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016662	A14B6C20	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016726	A18B6C20	110	100	110	110	110
CO.Nc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016742	A19B6C20	110	100	110	110	110
CO.Nc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016758	A20B6C20	110	100	110	110	110
CO.CCCCCC=O.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016455	A1B7C20	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016471	A2B7C20	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016487	A3B7C20	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016503	A4B7C20	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016519	A5B7C20	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016551	A7B7C20	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016631	A12B7C20	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016647	A13B7C20	110	100	110	110	110
CO.Nc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016743	A19B7C20	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016759	A20B7C20	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016456	A1B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016472	A2B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016504	A4B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)CC=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016520	A5B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016536	A6B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016600	A10B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016616	A11B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016680	A15B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016728	A18B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016744	A19B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016760	A20B8C20	110	100	110	110	110
Cl.CO.CCCCCC=O.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016457	A1B9C20	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016505	A4B9C20	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016569	A8B9C20	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016585	A9B9C20	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016601	A10B9C20	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]c1ccccc1	MC-0000016617	A11B9C20	110	100	110	110	110
Cl.CO.CCCOc1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016649	A13B9C20	110	100	110	58.884	110
Cl.CO.NCc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016681	A15B9C20	110	100	110	38.019	110
Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016729	A18B9C20	110	100	110	87.096	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016793	A22B9C20	110	100	110	87.096	110
CO.CCCCCC=O.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016458	A1B10C20	110	100	110	110	110
CO.NCc1ccncc1.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016506	A4B10C20	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016538	A6B10C20	110	100	110	110	110
CO.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016570	A8B10C20	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016586	A9B10C20	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016602	A10B10C20	110	100	110	110	110
CO.NCc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016746	A19B10C20	110	100	110	110	110
CO.NCc1ccncc1.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016762	A20B10C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016587	A9B11C20	38.019	100	70.84	35.481	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016651	A13B11C20	67.608	100	63.82	31.623	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016667	A14B11C20	75.858	100	75.34	38.019	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016763	A20B11C20	58.884	100	57.88	37.154	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CCCCC1.[C-]#[N+]c1ccccc1	MC-0000016779	A21B11C20	110	100	79.12	39.811	110
CO.CCCCCC=O.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016460	A1B12C20	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016492	A3B12C20	110	100	110	110	110
CO.NCc1cccnc1.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016508	A4B12C20	110	100	110	110	110
CO.CC(C)CC=O.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016524	A5B12C20	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016540	A6B12C20	110	100	110	110	110
CO.NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016572	A8B12C20	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016588	A9B12C20	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016604	A10B12C20	110	100	110	110	110
CO.NCc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016684	A15B12C20	110	100	110	110	110
CO.NCc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016748	A19B12C20	110	100	110	110	110
CO.NCc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016764	A20B12C20	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016493	A3B13C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016509	A4B13C20	110	100	110	110	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016525	A5B13C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016605	A10B13C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016685	A15B13C20	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016717	A17B13C20	110	100	110	110	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016733	A18B13C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016765	A20B13C20	110	100	110	110	110
O.CO.CCCCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000016462	A1B14C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]c1ccccc1	MC-0000016558	A7B14C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016670	A14B14C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016686	A15B14C20	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000016718	A17B14C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016798	A22B14C20	110	100	110	110	110
CO.CCCCCC=O.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016463	A1B15C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]c1ccccc1	MC-0000016479	A2B15C20	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016495	A3B15C20	110	100	110	110	110
CO.Nc1ccccc1.Clc1ccc(C=O)cc1.[C-]#[N+]c1ccccc1	MC-0000016511	A4B15C20	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016527	A5B15C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccco1.[C-]#[N+]c1ccccc1	MC-0000016543	A6B15C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016591	A9B15C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]c1ccccc1	MC-0000016607	A10B15C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]c1ccccc1	MC-0000016671	A14B15C20	110	100	110	110	110
CO.Nc1ccccc1.O=CCCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016687	A15B15C20	110	100	110	110	110
CO.Nc1ccccc1.OCc1ccc(C=O)o1.[C-]#[N+]c1ccccc1	MC-0000016751	A19B15C20	110	100	110	110	110
CO.Nc1ccccc1.O=CC=Cc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016767	A20B15C20	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]c1ccccc1	MC-0000016640	A12B16C20	110	100	110	41.687	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016656	A13B16C20	110	100	110	69.183	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016704	A16B16C20	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016801	A23B1C20	110	100	110	43.652	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016897	A29B1C20	110	100	110	54.954	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016929	A31B1C20	110	100	110	29.512	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016945	A32B1C20	110	100	110	42.658	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016961	A33B1C20	110	100	110	52.481	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000016993	A35B1C20	110	100	110	75.858	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017025	A37B1C20	100	100	110	26.303	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017041	A38B1C20	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017105	A42B1C20	110	100	110	42.658	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000017121	A43B1C20	110	100	110	53.703	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=O.[C-]#[N+]c1ccccc1	MC-0000017137	A44B1C20	110	100	110	35.481	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016834	A25B2C20	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016914	A30B2C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016930	A31B2C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016946	A32B2C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017106	A42B2C20	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=O.[C-]#[N+]c1ccccc1	MC-0000017138	A44B2C20	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016851	A26B3C20	110	100	110	46.774	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016899	A29B3C20	110	100	110	53.703	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000017123	A43B3C20	110	100	110	44.668	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]c1ccccc1	MC-0000017139	A44B3C20	110	100	110	50.119	110
CO.Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016852	A26B4C20	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016980	A34B4C20	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000016996	A35B4C20	110	100	110	110	110
CO.Nc1ccncc1.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017028	A37B4C20	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017108	A42B4C20	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016805	A23B5C20	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016901	A29B5C20	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016949	A32B5C20	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]c1ccccc1	MC-0000016981	A34B5C20	110	100	110	83.176	110
CO.NCc1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000016997	A35B5C20	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017109	A42B5C20	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.C=O.[C-]#[N+]c1ccccc1	MC-0000017141	A44B5C20	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016822	A24B6C20	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016886	A28B6C20	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016902	A29B6C20	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016950	A32B6C20	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016982	A34B6C20	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017078	A40B6C20	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000017094	A41B6C20	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017110	A42B6C20	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000017126	A43B6C20	110	100	110	110	110
O.CO.Nc1cccnc1.C=O.[C-]#[N+]c1ccccc1	MC-0000017142	A44B6C20	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016807	A23B7C20	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016839	A25B7C20	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016871	A27B7C20	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017031	A37B7C20	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016824	A24B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016856	A26B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016872	A27B8C20	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000016904	A29B8C20	110	100	110	110	110
O.O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016920	A30B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017064	A39B8C20	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]c1ccccc1	MC-0000017096	A41B8C20	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016809	A23B9C20	110	100	110	57.544	110
Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016825	A24B9C20	110	100	110	110	110
O.Cl.CO.NCc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016921	A30B9C20	110	100	110	83.176	110
Cl.CO.NCc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016937	A31B9C20	110	100	110	83.176	110
Cl.CO.NCc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016969	A33B9C20	110	100	110	110	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016985	A34B9C20	110	100	110	46.774	110
Cl.CO.NCc1cccc(N)c1.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017033	A37B9C20	110	100	110	12.303	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017081	A40B9C20	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016842	A25B10C20	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016858	A26B10C20	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016890	A28B10C20	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccncc1.[C-]#[N+]c1ccccc1	MC-0000016906	A29B10C20	110	100	110	110	110
CO.NCc1ccncc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016970	A33B10C20	110	100	110	110	110
CO.NCc1ccncc1.O=CC1CC1.[C-]#[N+]c1ccccc1	MC-0000017050	A38B10C20	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017082	A40B10C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016939	A31B11C20	110	100	79.48	58.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016955	A32B11C20	110	100	110	43.652	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016971	A33B11C20	110	100	66.52	41.687	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017035	A37B11C20	38.019	100	17.02	25.119	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017067	A39B11C20	110	100	50.59	39.811	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017083	A40B11C20	110	100	110	43.652	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017115	A42B11C20	110	100	59.5	32.359	110
CO.CCOC(=O)C1CC1C=O.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016828	A24B12C20	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016860	A26B12C20	110	100	110	110	110
CO.NCc1cccnc1.OCC(O)C(O)CC=O.[C-]#[N+]c1ccccc1	MC-0000016876	A27B12C20	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1.[C-]#[N+]c1ccccc1	MC-0000016988	A34B12C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]c1ccccc1	MC-0000016861	A26B13C20	48.978	100	110	24.547	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016893	A28B13C20	64.565	100	110	26.303	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016909	A29B13C20	60.256	100	110	28.84	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016957	A32B13C20	46.774	100	110	33.113	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000016989	A34B13C20	30.903	100	81.46	12.589	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]c1ccccc1	MC-0000017133	A43B13C20	12.303	100	110	33.884	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016814	A23B14C20	110	100	110	110	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000016846	A25B14C20	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000016910	A29B14C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016942	A31B14C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000017006	A35B14C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC=O.[C-]#[N+]c1ccccc1	MC-0000017038	A37B14C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017118	A42B14C20	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1.[C-]#[N+]c1ccccc1	MC-0000017134	A43B14C20	110	100	110	110	110
CO.Nc1ccccc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]c1ccccc1	MC-0000016975	A33B15C20	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016991	A34B15C20	110	100	110	110	110
CO.Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]c1ccccc1	MC-0000017071	A39B15C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1C=O.[C-]#[N+]c1ccccc1	MC-0000017087	A40B15C20	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017119	A42B15C20	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.[C-]#[N+]c1ccccc1	MC-0000016816	A23B16C20	110	100	110	33.884	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016848	A25B16C20	110	100	110	46.774	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000016912	A29B16C20	110	100	110	60.256	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]c1ccccc1	MC-0000016944	A31B16C20	110	100	110	53.703	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.[C-]#[N+]c1ccccc1	MC-0000016960	A32B16C20	110	100	110	63.096	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.[C-]#[N+]c1ccccc1	MC-0000017008	A35B16C20	110	100	110	64.565	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc2OCOc2c1.[C-]#[N+]c1ccccc1	MC-0000017120	A42B16C20	110	100	110	56.234	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]c1ccccc1	MC-0000017136	A43B16C20	110	100	110	58.884	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O.[C-]#[N+]c1ccccc1	MC-0000017152	A44B16C20	110	100	110	60.256	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017185	A3B1C21	110	100	110	51.286	110
Cl.Cl.CO.CC(C)CC=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017217	A5B1C21	110	100	110	69.183	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017233	A6B1C21	110	100	110	40.738	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017265	A8B1C21	110	100	110	31.623	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017329	A12B1C21	89.125	100	110	20.893	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017425	A18B1C21	110	100	110	46.774	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017441	A19B1C21	110	100	110	47.863	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017457	A20B1C21	110	100	110	18.621	110
CO.CC(C)CC=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017218	A5B2C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017282	A9B2C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017298	A10B2C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017314	A11B2C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017362	A14B2C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017442	A19B2C21	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017155	A1B3C21	110	100	110	51.286	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017187	A3B3C21	110	100	110	51.286	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017235	A6B3C21	110	100	110	35.481	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017411	A17B3C21	110	100	110	89.125	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017443	A19B3C21	110	100	110	48.978	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017475	A21B3C21	110	100	110	110	110
CO.CCCCCC=O.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017156	A1B4C21	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017284	A9B4C21	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017332	A12B4C21	110	100	110	110	110
CO.Nc1ccncc1.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017380	A15B4C21	110	100	110	110	110
CO.CSCCC=O.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017396	A16B4C21	110	100	110	110	110
CO.Nc1ccncc1.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017444	A19B4C21	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017189	A3B5C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017205	A4B5C21	110	100	110	110	110
CO.CC(C)CC=O.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017221	A5B5C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017269	A8B5C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017285	A9B5C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017301	A10B5C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017381	A15B5C21	110	100	110	110	110
CO.CSCCC=O.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017397	A16B5C21	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017429	A18B5C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017461	A20B5C21	110	100	110	110	110
CO.CCCCCC=O.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017158	A1B6C21	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017174	A2B6C21	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017254	A7B6C21	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017334	A12B6C21	110	100	110	110	110
CO.Nc1cccnc1.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017382	A15B6C21	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017414	A17B6C21	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017430	A18B6C21	110	100	110	110	110
CO.Nc1cccnc1.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017446	A19B6C21	110	100	110	110	110
CO.Nc1cccnc1.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017462	A20B6C21	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017478	A21B6C21	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017494	A22B6C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017175	A2B7C21	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017191	A3B7C21	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017207	A4B7C21	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017223	A5B7C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017239	A6B7C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017287	A9B7C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017319	A11B7C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017335	A12B7C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017367	A14B7C21	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017431	A18B7C21	110	100	110	110	110
CO.Nc1cccc(N)c1.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017447	A19B7C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017463	A20B7C21	110	100	110	110	110
O.CO.CCCCCC=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017160	A1B8C21	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017176	A2B8C21	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017256	A7B8C21	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017336	A12B8C21	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017352	A13B8C21	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(OC)cc(C=O)c1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017416	A17B8C21	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017432	A18B8C21	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017496	A22B8C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017257	A7B9C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017273	A8B9C21	110	100	110	79.433	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017305	A10B9C21	110	100	110	85.114	110
Cl.CO.NCc1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017385	A15B9C21	110	100	110	110	110
Cl.CO.CSCCC=O.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017401	A16B9C21	110	100	110	110	110
Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017417	A17B9C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017497	A22B9C21	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017242	A6B10C21	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017258	A7B10C21	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017306	A10B10C21	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017322	A11B10C21	110	100	91.09	110	110
CO.CCCOc1ccc(C=O)cc1.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017354	A13B10C21	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017370	A14B10C21	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017163	A1B11C21	60.256	100	39.43	25.704	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017211	A4B11C21	110	100	110	26.303	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017275	A8B11C21	110	100	110	26.915	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017323	A11B11C21	110	100	23.5	38.905	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017371	A14B11C21	110	100	110	28.84	110
Cl.Cl.CO.CSCCC=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017403	A16B11C21	110	100	110	31.623	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017451	A19B11C21	100	100	28.63	34.674	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017467	A20B11C21	110	100	110	37.154	110
CO.NCc1cccnc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017180	A2B12C21	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1coc2ccccc2c1=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017260	A7B12C21	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017340	A12B12C21	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017372	A14B12C21	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017484	A21B12C21	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017500	A22B12C21	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017181	A2B13C21	110	100	110	38.905	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017197	A3B13C21	110	100	110	30.903	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017213	A4B13C21	110	100	110	30.903	110
Cl.Cl.CO.CC(C)CC=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017229	A5B13C21	100	100	110	32.359	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017245	A6B13C21	54.954	100	110	22.909	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017293	A9B13C21	27.542	100	110	43.652	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017309	A10B13C21	110	100	110	46.774	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017389	A15B13C21	74.131	100	110	40.738	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017421	A17B13C21	110	100	110	37.154	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017469	A20B13C21	61.66	100	110	30.2	110
O.CO.CCCCCC=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017166	A1B14C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017214	A4B14C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017246	A6B14C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017294	A9B14C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017310	A10B14C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc(Oc2ccccc2)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017374	A14B14C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017390	A15B14C21	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017438	A18B14C21	110	100	110	110	110
CO.CCCCCC=O.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017167	A1B15C21	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1c[nH]c2ccccc12.[C-]#[N+]CCCN1CCOCC1	MC-0000017183	A2B15C21	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2ccccc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017343	A12B15C21	110	100	110	110	110
CO.CSCCC=O.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017407	A16B15C21	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017423	A17B15C21	110	100	110	110	110
CO.Nc1ccccc1.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017471	A20B15C21	110	100	110	110	110
CO.CCCCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017168	A1B16C21	110	87.9	110	47.863	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017200	A3B16C21	110	100	110	52.481	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017216	A4B16C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccco1.[C-]#[N+]CCCN1CCOCC1	MC-0000017248	A6B16C21	110	100	110	60.256	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017296	A9B16C21	110	100	110	61.66	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2.[C-]#[N+]CCCN1CCOCC1	MC-0000017312	A10B16C21	110	100	110	69.183	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.[C-]#[N+]CCCN1CCOCC1	MC-0000017328	A11B16C21	110	89.5	86.5	60.256	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1.[C-]#[N+]CCCN1CCOCC1	MC-0000017456	A19B16C21	110	100	110	52.481	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017472	A20B16C21	110	100	110	51.286	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017488	A21B16C21	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017521	A24B1C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017537	A25B1C21	110	100	110	63.096	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017601	A29B1C21	110	100	110	44.668	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017617	A30B1C21	110	100	110	50.119	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017633	A31B1C21	60.256	100	110	43.652	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017665	A33B1C21	95.499	100	110	45.709	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017681	A34B1C21	110	100	75.16	25.704	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017697	A35B1C21	110	100	110	85.114	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017745	A38B1C21	110	100	110	83.176	110
Cl.Cl.CO.CC(=O)C=O.NCc1cccc(c1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017793	A41B1C21	110	100	110	23.442	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017538	A25B2C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017554	A26B2C21	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017682	A34B2C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017698	A35B2C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017778	A40B2C21	110	100	110	110	110
CO.CC(=O)C=O.NC(CCCNC(=N)N)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017794	A41B2C21	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017810	A42B2C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017539	A25B3C21	110	100	110	83.176	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017571	A27B3C21	110	100	72.28	33.884	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017603	A29B3C21	110	100	110	52.481	110
O.Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017619	A30B3C21	110	100	110	60.256	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017667	A33B3C21	110	100	110	52.481	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017683	A34B3C21	110	100	45.64	33.113	110
Cl.Cl.CO.CC(=O)C=O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017795	A41B3C21	91.201	100	52.39	22.387	110
CO.Nc1ccncc1.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017508	A23B4C21	110	100	110	110	110
O.CO.Nc1ccncc1.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017620	A30B4C21	110	100	110	110	110
CO.Nc1ccncc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017764	A39B4C21	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017780	A40B4C21	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017828	A43B4C21	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017541	A25B5C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017573	A27B5C21	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017589	A28B5C21	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017621	A30B5C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017669	A33B5C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017749	A38B5C21	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017781	A40B5C21	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017797	A41B5C21	110	100	110	91.201	110
CO.Nc1cccnc1.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017510	A23B6C21	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017542	A25B6C21	110	100	110	110	110
O.CO.Nc1cccnc1.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017622	A30B6C21	110	100	110	110	110
CO.Nc1cccnc1.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017638	A31B6C21	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017654	A32B6C21	110	100	110	110	110
CO.Nc1cccnc1.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017734	A37B6C21	110	100	110	110	110
CO.Nc1cccnc1.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017750	A38B6C21	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017782	A40B6C21	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017830	A43B6C21	110	100	110	110	110
O.CO.Nc1cccnc1.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017846	A44B6C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017511	A23B7C21	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017575	A27B7C21	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017591	A28B7C21	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017607	A29B7C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccn1.[C-]#[N+]CCCN1CCOCC1	MC-0000017655	A32B7C21	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017687	A34B7C21	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017735	A37B7C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017783	A40B7C21	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017815	A42B7C21	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017831	A43B7C21	110	100	110	110	110
O.CO.Nc1cccc(N)c1.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017847	A44B7C21	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017672	A33B8C21	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.[C-]#[N+]CCCN1CCOCC1	MC-0000017832	A43B8C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017513	A23B9C21	110	100	110	77.625	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017545	A25B9C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017561	A26B9C21	110	100	110	110	110
O.Cl.CO.NCc1cccc(N)c1.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017625	A30B9C21	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017641	A31B9C21	110	100	110	110	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017689	A34B9C21	110	100	89.2	61.66	110
Cl.CO.NCc1cccc(N)c1.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017737	A37B9C21	110	100	110	37.154	110
Cl.CO.CC(=O)C=O.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017801	A41B9C21	110	100	110	52.481	110
Cl.CO.COc1cccc(C=O)c1OC.NCc1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017833	A43B9C21	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017530	A24B10C21	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017546	A25B10C21	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017610	A29B10C21	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017706	A35B10C21	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NCc1ccncc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017834	A43B10C21	110	100	110	110	110
O.CO.NCc1ccncc1.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017850	A44B10C21	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017531	A24B11C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017547	A25B11C21	110	100	35.92	40.738	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017563	A26B11C21	110	100	27.01	36.308	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017627	A30B11C21	110	100	32.05	37.154	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017643	A31B11C21	38.905	100	45.91	32.359	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017675	A33B11C21	110	100	42.94	47.863	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017691	A34B11C21	57.544	100	14.14	29.512	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017707	A35B11C21	110	100	58.6	75.858	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017771	A39B11C21	110	100	32.59	38.019	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1ccc(N)cc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017803	A41B11C21	110	100	24.76	38.019	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017819	A42B11C21	110	100	26.56	36.308	110
CO.CCOC(=O)C1CC1C=O.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017532	A24B12C21	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017548	A25B12C21	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017564	A26B12C21	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1cccnc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017596	A28B12C21	110	100	110	110	110
O.CO.NCc1cccnc1.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017852	A44B12C21	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017549	A25B13C21	47.863	100	110	61.66	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017581	A27B13C21	48.978	100	110	28.184	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017645	A31B13C21	28.84	100	63.73	31.623	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017677	A33B13C21	41.687	100	110	38.019	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017693	A34B13C21	34.674	100	35.83	26.303	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccs1.[C-]#[N+]CCCN1CCOCC1	MC-0000017709	A35B13C21	110	100	110	48.978	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1cccc(N)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017805	A41B13C21	110	100	110	81.283	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017550	A25B14C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017566	A26B14C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017582	A27B14C21	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017598	A28B14C21	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017614	A29B14C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017758	A38B14C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.[C-]#[N+]CCCN1CCOCC1	MC-0000017774	A39B14C21	110	100	110	110	110
O.CO.CC(=O)C=O.NC(=O)c1ccc(N)nc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017806	A41B14C21	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017822	A42B14C21	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017519	A23B15C21	110	100	110	110	110
CO.Nc1ccccc1.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017583	A27B15C21	110	100	110	110	110
CO.Nc1ccccc1.OCC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017743	A37B15C21	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2OCOc2c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017823	A42B15C21	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccccc1.[C-]#[N+]CCCN1CCOCC1	MC-0000017839	A43B15C21	110	100	110	110	110
O.CO.Nc1ccccc1.C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017855	A44B15C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017568	A26B16C21	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017584	A27B16C21	110	100	110	28.84	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017600	A28B16C21	110	100	110	60.256	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1.[C-]#[N+]CCCN1CCOCC1	MC-0000017632	A30B16C21	110	100	110	69.183	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O.[C-]#[N+]CCCN1CCOCC1	MC-0000017680	A33B16C21	110	100	110	58.884	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017696	A34B16C21	110	100	110	39.811	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017760	A38B16C21	110	100	110	67.608	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017808	A41B16C21	110	100	110	22.387	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000017905	A4B1C22	110	100	110	69.183	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000018017	A11B1C22	110	100	36.37	42.658	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000018033	A12B1C22	52.481	100	110	37.154	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018049	A13B1C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CCCc1ccccc1	MC-0000018081	A15B1C22	91.201	100	110	38.019	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018113	A17B1C22	110	100	110	31.623	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1	MC-0000018145	A19B1C22	110	100	110	51.286	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1	MC-0000018161	A20B1C22	110	100	110	31.623	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000017890	A3B2C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1ccc(C=O)cc1	MC-0000017906	A4B2C22	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000017922	A5B2C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccco1	MC-0000017938	A6B2C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017970	A8B2C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(cc1)c2ccccc2	MC-0000018002	A10B2C22	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018114	A17B2C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCc1ccc(C=O)o1	MC-0000018146	A19B2C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1	MC-0000018162	A20B2C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000017907	A4B3C22	110	100	110	52.481	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccco1	MC-0000017939	A6B3C22	110	100	110	44.668	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000017987	A9B3C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000018003	A10B3C22	110	100	110	63.096	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000018083	A15B3C22	110	100	110	48.978	110
Cl.Cl.CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018099	A16B3C22	110	100	110	61.66	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000018147	A19B3C22	110	100	110	85.114	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000017956	A7B4C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000018036	A12B4C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018068	A14B4C22	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000018116	A17B4C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccccc1	MC-0000018196	A22B4C22	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000017861	A1B5C22	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000017893	A3B5C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000017909	A4B5C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccco1	MC-0000017941	A6B5C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017973	A8B5C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018005	A10B5C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018021	A11B5C22	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000018133	A18B5C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000018038	A12B6C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018070	A14B6C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=CCCc1ccccc1	MC-0000018086	A15B6C22	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000018102	A16B6C22	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000018118	A17B6C22	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000018134	A18B6C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=CC=Cc1ccccc1	MC-0000018166	A20B6C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=CC1CCCCC1	MC-0000018182	A21B6C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1	MC-0000018198	A22B6C22	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000017863	A1B7C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017975	A8B7C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018023	A11B7C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018071	A14B7C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=CCCc1ccccc1	MC-0000018087	A15B7C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000018151	A19B7C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000018167	A20B7C22	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12	MC-0000017880	A2B8C22	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000018040	A12B8C22	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018056	A13B8C22	110	100	110	110	110
O.CO.CCN(CC)CC.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018104	A16B8C22	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1	MC-0000018184	A21B8C22	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000017881	A2B9C22	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018009	A10B9C22	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000018041	A12B9C22	110	100	110	72.444	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000018169	A20B9C22	110	100	110	39.811	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=CC1CCCCC1	MC-0000018185	A21B9C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017978	A8B10C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000018042	A12B10C22	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000018058	A13B10C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018074	A14B10C22	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000017899	A3B11C22	110	100	98.38	56.234	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000017915	A4B11C22	100	100	62.56	43.652	110
Cl.Cl.CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000017931	A5B11C22	110	100	55.45	48.978	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000017963	A7B11C22	110	100	99.91	72.444	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000017995	A9B11C22	37.154	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1	MC-0000018091	A15B11C22	110	100	110	81.283	110
Cl.Cl.CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018107	A16B11C22	85.114	100	110	46.774	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018123	A17B11C22	110	100	60.94	38.905	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000018171	A20B11C22	70.795	100	99.91	72.444	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000017884	A2B12C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccco1	MC-0000017948	A6B12C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000017964	A7B12C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017980	A8B12C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc2ccccc2c1	MC-0000018044	A12B12C22	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000018060	A13B12C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1ccc(C=O)cc1	MC-0000017917	A4B13C22	30.2	100	110	54.954	110
Cl.Cl.CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000017933	A5B13C22	66.069	100	110	75.858	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000017997	A9B13C22	2.57	87.7	110	70.795	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018013	A10B13C22	44.668	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018029	A11B13C22	28.84	100	64.99	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCCc1ccccc1	MC-0000018093	A15B13C22	34.674	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018125	A17B13C22	45.709	100	110	44.668	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000018157	A19B13C22	37.154	100	62.92	41.687	110
O.CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000017870	A1B14C22	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000017902	A3B14C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1ccc(C=O)cc1	MC-0000017918	A4B14C22	110	100	110	110	110
O.CO.CC(C)CC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000017934	A5B14C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccco1	MC-0000017950	A6B14C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017982	A8B14C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018030	A11B14C22	110	100	83.26	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CCCc1ccccc1	MC-0000018094	A15B14C22	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018126	A17B14C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.OCc1ccc(C=O)o1	MC-0000018158	A19B14C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1	MC-0000018174	A20B14C22	110	100	110	110	110
CO.CCCCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000017871	A1B15C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1c[nH]c2ccccc12	MC-0000017887	A2B15C22	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000018063	A13B15C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018079	A14B15C22	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000018111	A16B15C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=CC1CCCCC1	MC-0000018191	A21B15C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1	MC-0000018207	A22B15C22	110	100	110	110	110
CO.CC(C)CC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000017936	A5B16C22	110	100	110	53.703	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000017968	A7B16C22	110	100	110	56.234	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000017984	A8B16C22	110	100	110	48.978	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000018000	A9B16C22	110	100	110	42.658	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)c2ccccc2	MC-0000018016	A10B16C22	110	100	110	37.154	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000018096	A15B16C22	110	100	110	81.283	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018241	A25B1C22	110	100	110	77.625	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC(O)C(O)CC=O	MC-0000018273	A27B1C22	110	100	110	34.674	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018289	A28B1C22	110	100	110	69.183	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018305	A29B1C22	110	100	110	39.811	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1	MC-0000018321	A30B1C22	110	100	110	39.811	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018385	A34B1C22	110	100	71.02	21.878	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018465	A39B1C22	110	100	110	50.119	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018258	A26B2C22	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018290	A28B2C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000018370	A33B2C22	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018498	A41B2C22	110	100	110	110	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ncc[nH]1	MC-0000018323	A30B3C22	110	100	110	26.915	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018387	A34B3C22	110	100	66.61	30.2	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1cccs1	MC-0000018403	A35B3C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018467	A39B3C22	110	100	110	81.283	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000018483	A40B3C22	110	100	110	63.096	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.OCC(O)C(O)CC=O	MC-0000018276	A27B4C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=CCc1ccccc1	MC-0000018340	A31B4C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.Clc1nc2ccccc2cc1C=O	MC-0000018372	A33B4C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1cccs1	MC-0000018404	A35B4C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.OCC=O	MC-0000018436	A37B4C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000018516	A42B4C22	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1	MC-0000018532	A43B4C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.C=O	MC-0000018548	A44B4C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000018277	A27B5C22	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000018293	A28B5C22	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000018309	A29B5C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000018325	A30B5C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=CC1CC1	MC-0000018453	A38B5C22	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1	MC-0000018501	A41B5C22	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000018246	A25B6C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1ncc[nH]1	MC-0000018326	A30B6C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=CCc1ccccc1	MC-0000018342	A31B6C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccccn1	MC-0000018358	A32B6C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.Clc1nc2ccccc2cc1C=O	MC-0000018374	A33B6C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.OCC=O	MC-0000018438	A37B6C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018470	A39B6C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1C=O	MC-0000018486	A40B6C22	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1	MC-0000018534	A43B6C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018263	A26B7C22	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000018311	A29B7C22	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000018391	A34B7C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccs1	MC-0000018407	A35B7C22	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1	MC-0000018503	A41B7C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000018519	A42B7C22	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1	MC-0000018216	A23B8C22	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018312	A29B8C22	110	100	110	110	110
O.O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ncc[nH]1	MC-0000018328	A30B8C22	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1	MC-0000018360	A32B8C22	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000018520	A42B8C22	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018536	A43B8C22	110	100	110	110	110
O.O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.C=O	MC-0000018552	A44B8C22	110	100	110	110	110
Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000018249	A25B9C22	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccn1	MC-0000018361	A32B9C22	110	100	110	54.954	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1	MC-0000018393	A34B9C22	110	100	110	50.119	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1cccs1	MC-0000018409	A35B9C22	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.OCC=O	MC-0000018441	A37B9C22	110	100	110	33.884	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1C=O	MC-0000018489	A40B9C22	110	100	110	46.774	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000018521	A42B9C22	110	100	110	69.183	110
O.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.C=O	MC-0000018553	A44B9C22	110	100	110	44.668	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000018314	A29B10C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccccn1	MC-0000018362	A32B10C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.OCC=O	MC-0000018442	A37B10C22	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000018506	A41B10C22	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1	MC-0000018538	A43B10C22	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018251	A25B11C22	64.565	100	99.91	26.303	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000018283	A27B11C22	110	100	59.41	36.308	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CCc1ccccc1	MC-0000018347	A31B11C22	66.069	100	99.91	74.131	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018395	A34B11C22	57.544	100	29.8	29.512	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccs1	MC-0000018411	A35B11C22	110	100	99.91	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018475	A39B11C22	110	100	110	48.978	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000018491	A40B11C22	110	100	110	81.283	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1	MC-0000018523	A42B11C22	110	100	92.08	40.738	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.C=O	MC-0000018555	A44B11C22	72.444	100	1.54	14.791	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018268	A26B12C22	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000018300	A28B12C22	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000018316	A29B12C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=CCc1ccccc1	MC-0000018348	A31B12C22	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000018396	A34B12C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.OCC=O	MC-0000018444	A37B12C22	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000018508	A41B12C22	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1	MC-0000018540	A43B12C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.C=O	MC-0000018556	A44B12C22	110	100	110	110	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000018333	A30B13C22	67.608	100	110	39.811	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCc1ccccc1	MC-0000018349	A31B13C22	11.749	100	74.26	17.378	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000018381	A33B13C22	18.621	100	110	29.512	110
Cl.Cl.CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018509	A41B13C22	47.863	100	82.63	33.884	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018541	A43B13C22	23.442	100	110	34.674	110
O.CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018238	A24B14C22	110	100	110	110	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018254	A25B14C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O	MC-0000018286	A27B14C22	110	100	110	110	110
O.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018302	A28B14C22	110	100	110	110	110
O.O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1	MC-0000018334	A30B14C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.Clc1nc2ccccc2cc1C=O	MC-0000018382	A33B14C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018478	A39B14C22	110	100	110	110	110
O.CO.CC(=O)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018510	A41B14C22	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000018255	A25B15C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018271	A26B15C22	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000018319	A29B15C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1ncc[nH]1	MC-0000018335	A30B15C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.Clc1nc2ccccc2cc1C=O	MC-0000018383	A33B15C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018479	A39B15C22	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc2OCOc2c1	MC-0000018527	A42B15C22	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1	MC-0000018543	A43B15C22	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.C=O	MC-0000018559	A44B15C22	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018304	A28B16C22	110	100	110	41.687	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000018352	A31B16C22	110	100	110	64.565	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000018384	A33B16C22	110	100	110	61.66	110
CO.CN(C)c1ccc(C=CC=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018400	A34B16C22	110	100	110	28.184	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000018480	A39B16C22	110	100	110	61.66	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000018496	A40B16C22	110	100	110	51.286	110
Cl.Cl.CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018561	A1B1C23	110	100	110	28.84	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1ccc(C=O)cc1	MC-0000018609	A4B1C23	110	100	110	40.738	110
Cl.Cl.CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018625	A5B1C23	110	100	110	67.608	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018673	A8B1C23	100	100	110	18.621	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000018737	A12B1C23	91.201	100	110	27.542	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018817	A17B1C23	110	100	110	28.184	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000018833	A18B1C23	110	100	110	4.467	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC=Cc1ccccc1	MC-0000018865	A20B1C23	110	100	110	21.38	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018594	A3B2C23	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018626	A5B2C23	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018818	A17B2C23	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000018834	A18B2C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1	MC-0000018882	A21B2C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccc1	MC-0000018898	A22B2C23	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018595	A3B3C23	110	100	110	57.544	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O	MC-0000018659	A7B3C23	110	100	110	79.433	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018675	A8B3C23	110	100	110	22.909	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1OCc2ccccc2	MC-0000018691	A9B3C23	110	100	110	70.795	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2	MC-0000018723	A11B3C23	110	100	45.37	58.884	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc2ccccc2c1	MC-0000018739	A12B3C23	110	100	110	33.884	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018755	A13B3C23	110	100	110	70.795	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000018787	A15B3C23	110	100	110	19.498	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000018851	A19B3C23	110	100	110	47.863	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000018867	A20B3C23	110	100	110	64.565	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1	MC-0000018883	A21B3C23	110	100	110	43.652	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1coc2ccccc2c1=O	MC-0000018660	A7B4C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018708	A10B4C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=CC1CCCCC1	MC-0000018884	A21B4C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.Clc1ccc(C=O)cc1	MC-0000018613	A4B5C23	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000018629	A5B5C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1coc2ccccc2c1=O	MC-0000018661	A7B5C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1OCc2ccccc2	MC-0000018693	A9B5C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018725	A11B5C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc2ccccc2c1	MC-0000018741	A12B5C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=CCCc1ccccc1	MC-0000018789	A15B5C23	110	100	110	110	110
CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000018805	A16B5C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.OCc1ccc(C=O)o1	MC-0000018853	A19B5C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000018869	A20B5C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1	MC-0000018901	A22B5C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1ccco1	MC-0000018646	A6B6C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1coc2ccccc2c1=O	MC-0000018662	A7B6C23	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000018758	A13B6C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018774	A14B6C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=CC1CCCCC1	MC-0000018886	A21B6C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1ccccc1	MC-0000018902	A22B6C23	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000018599	A3B7C23	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000018631	A5B7C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018679	A8B7C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000018695	A9B7C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018711	A10B7C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018727	A11B7C23	110	100	64.27	110	110
CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000018823	A17B7C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000018855	A19B7C23	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1	MC-0000018648	A6B8C23	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1coc2ccccc2c1=O	MC-0000018664	A7B8C23	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018680	A8B8C23	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1	MC-0000018744	A12B8C23	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000018760	A13B8C23	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1c[nH]c2ccccc12	MC-0000018585	A2B9C23	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccco1	MC-0000018649	A6B9C23	110	100	110	18.197	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018681	A8B9C23	110	100	110	30.2	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccccc1OCc2ccccc2	MC-0000018697	A9B9C23	110	100	110	110	110
Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000018825	A17B9C23	110	100	110	15.136	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.OCc1ccc(C=O)o1	MC-0000018857	A19B9C23	110	100	110	12.589	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=CC=Cc1ccccc1	MC-0000018873	A20B9C23	110	100	110	27.542	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000018634	A5B10C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1ccco1	MC-0000018650	A6B10C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018682	A8B10C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1OCc2ccccc2	MC-0000018698	A9B10C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)c2ccccc2	MC-0000018714	A10B10C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018730	A11B10C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1ccc2ccccc2c1	MC-0000018746	A12B10C23	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000018842	A18B10C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.OCc1ccc(C=O)o1	MC-0000018858	A19B10C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=CC=Cc1ccccc1	MC-0000018874	A20B10C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1	MC-0000018906	A22B10C23	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018571	A1B11C23	61.66	100	42.22	32.359	110
Cl.Cl.CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018635	A5B11C23	110	100	35.56	30.2	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018731	A11B11C23	110	100	110	110	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018827	A17B11C23	110	100	110	75.858	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC=Cc1ccccc1	MC-0000018875	A20B11C23	56.234	100	48.07	13.49	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1c[nH]c2ccccc12	MC-0000018588	A2B12C23	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000018604	A3B12C23	110	100	110	110	110
CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000018636	A5B12C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1ccco1	MC-0000018652	A6B12C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018684	A8B12C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2	MC-0000018700	A9B12C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018732	A11B12C23	110	100	99.91	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000018764	A13B12C23	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000018844	A18B12C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=CC1CCCCC1	MC-0000018892	A21B12C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1ccccc1	MC-0000018908	A22B12C23	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccco1	MC-0000018653	A6B13C23	12.303	100	43.93	17.378	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1coc2ccccc2c1=O	MC-0000018669	A7B13C23	31.623	100	58.24	30.903	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1	MC-0000018749	A12B13C23	8.511	76	49.33	17.783	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018765	A13B13C23	26.303	100	110	53.703	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCCc1ccccc1	MC-0000018797	A15B13C23	38.905	100	81.82	30.903	110
Cl.Cl.CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018813	A16B13C23	26.303	100	57.88	20.417	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018829	A17B13C23	29.512	100	60.85	9.772	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CC1CCCCC1	MC-0000018893	A21B13C23	22.909	100	110	26.303	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccccc1	MC-0000018909	A22B13C23	7.244	100	59.86	19.055	110
O.CO.CCCCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018574	A1B14C23	110	100	110	110	110
O.CO.COc1cc(C=O)cc(OC)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018606	A3B14C23	110	100	110	110	110
O.CO.CC(C)CC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018638	A5B14C23	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc(cc1)N2CCCC2	MC-0000018734	A11B14C23	110	100	68.86	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1	MC-0000018750	A12B14C23	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018766	A13B14C23	110	100	110	110	110
O.CO.CSCCC=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018814	A16B14C23	110	100	110	110	110
O.CO.COc1cc(OC)cc(C=O)c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018830	A17B14C23	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018846	A18B14C23	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=CC1CCCCC1	MC-0000018894	A21B14C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1c[nH]c2ccccc12	MC-0000018591	A2B15C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1ccco1	MC-0000018655	A6B15C23	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000018767	A13B15C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1ccc(Oc2ccccc2)cc1	MC-0000018783	A14B15C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1ccccc1	MC-0000018911	A22B15C23	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018608	A3B16C23	110	100	110	60.256	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.[O-][N+](=O)c1ccc(C=O)cc1	MC-0000018688	A8B16C23	110	100	110	13.49	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018768	A13B16C23	110	100	110	67.608	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1	MC-0000018800	A15B16C23	110	100	110	16.596	110
CO.COC(=O)c1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018848	A18B16C23	110	100	110	19.055	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCc1ccc(C=O)o1	MC-0000018864	A19B16C23	110	100	110	47.863	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1	MC-0000018880	A20B16C23	110	100	110	27.542	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018961	A26B1C23	57.544	100	110	23.988	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ncc[nH]1	MC-0000019025	A30B1C23	45.709	100	110	14.125	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccccn1	MC-0000019057	A32B1C23	36.308	100	83.89	7.762	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000019073	A33B1C23	74.131	100	110	18.197	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N	MC-0000019089	A34B1C23	110	100	71.38	18.197	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=CC1CC1	MC-0000019153	A38B1C23	110	100	110	79.433	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.Clc1nc2ccccc2cc1C=O	MC-0000019074	A33B2C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.OCC=O	MC-0000019138	A37B2C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=CC1CC1	MC-0000019154	A38B2C23	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O	MC-0000019202	A41B2C23	110	100	110	110	110
Cl.Cl.CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018931	A24B3C23	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000018979	A27B3C23	110	100	110	29.512	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000019043	A31B3C23	110	100	110	23.988	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000019091	A34B3C23	110	100	78.13	28.184	110
Cl.Cl.CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000019203	A41B3C23	110	100	110	27.542	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000019235	A43B3C23	110	100	110	42.658	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1ccc[nH]1	MC-0000018916	A23B4C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018964	A26B4C23	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1	MC-0000019012	A29B4C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1ccccn1	MC-0000019060	A32B4C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1cccs1	MC-0000019108	A35B4C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1ccc2OCOc2c1	MC-0000019220	A42B4C23	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.C=O	MC-0000019252	A44B4C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000018981	A27B5C23	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000019029	A30B5C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=CCc1ccccc1	MC-0000019045	A31B5C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.Clc1nc2ccccc2cc1C=O	MC-0000019077	A33B5C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.OCC=O	MC-0000019141	A37B5C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000019189	A40B5C23	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000019205	A41B5C23	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1	MC-0000019237	A43B5C23	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000018934	A24B6C23	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000018950	A25B6C23	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1	MC-0000019014	A29B6C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1cccs1	MC-0000019110	A35B6C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.OCC=O	MC-0000019142	A37B6C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018967	A26B7C23	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000019015	A29B7C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000019079	A33B7C23	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1	MC-0000019095	A34B7C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=CC1CC1	MC-0000019159	A38B7C23	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018968	A26B8C23	110	100	110	110	110
O.CO.CCOC(=O)C=C(C)C=O.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000019016	A29B8C23	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1	MC-0000019064	A32B8C23	110	100	110	110	110
O.CO.CCN(CC)CC.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000019096	A34B8C23	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1	MC-0000019112	A35B8C23	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.OCC=O	MC-0000019144	A37B8C23	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2OCOc2c1	MC-0000019224	A42B8C23	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O	MC-0000019240	A43B8C23	110	100	110	110	110
Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000019001	A28B9C23	110	100	110	66.069	110
Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000019017	A29B9C23	110	100	110	30.903	110
O.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000019033	A30B9C23	110	100	110	24.547	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1	MC-0000019097	A34B9C23	110	100	110	38.019	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc2OCOc2c1	MC-0000019225	A42B9C23	110	100	110	21.878	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1ccc[nH]1	MC-0000018922	A23B10C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018970	A26B10C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.OCC(O)C(O)CC=O	MC-0000018986	A27B10C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1ccccn1	MC-0000019066	A32B10C23	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000019098	A34B10C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1ccccc1C=O	MC-0000019194	A40B10C23	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1	MC-0000019210	A41B10C23	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc[nH]1	MC-0000018923	A23B11C23	93.325	100	46.36	23.442	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000018955	A25B11C23	54.954	83.4	84.25	23.988	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018971	A26B11C23	61.66	100	56.44	33.884	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC(O)C(O)CC=O	MC-0000018987	A27B11C23	110	100	54.46	29.512	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000019019	A29B11C23	64.565	100	37.63	30.903	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ncc[nH]1	MC-0000019035	A30B11C23	74.131	100	52.39	3.467	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=CC1CC1	MC-0000019163	A38B11C23	110	100	45.73	46.774	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019179	A39B11C23	110	100	110	32.359	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O	MC-0000019195	A40B11C23	110	100	110	56.234	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1	MC-0000019243	A43B11C23	100	100	73.9	36.308	100
CO.CCOC(=O)C1CC1C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000018940	A24B12C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.OCC(O)C(O)CC=O	MC-0000018988	A27B12C23	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000019004	A28B12C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1ccccn1	MC-0000019068	A32B12C23	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000019100	A34B12C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=CC1CC1	MC-0000019164	A38B12C23	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000019212	A41B12C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1ccc2OCOc2c1	MC-0000019228	A42B12C23	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1	MC-0000019244	A43B12C23	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000018957	A25B13C23	32.359	100	99.91	24.547	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.OCC(O)C(O)CC=O	MC-0000018989	A27B13C23	97.724	100	110	19.953	110
O.Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ncc[nH]1	MC-0000019037	A30B13C23	20.417	100	95.05	8.128	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=CCc1ccccc1	MC-0000019053	A31B13C23	15.488	100	77.5	22.909	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.Clc1nc2ccccc2cc1C=O	MC-0000019085	A33B13C23	13.804	80.6	53.56	15.488	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1cccs1	MC-0000019117	A35B13C23	24.547	100	110	38.019	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019181	A39B13C23	0.158	44.7	27.55	13.804	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1	MC-0000019245	A43B13C23	0.741	100	99.91	14.125	110
O.CO.COc1cc(C=O)ccc1OCc2ccccc2.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1	MC-0000018958	A25B14C23	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC(O)C(O)CC=O	MC-0000018990	A27B14C23	110	100	110	110	110
O.O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ncc[nH]1	MC-0000019038	A30B14C23	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccn1	MC-0000019070	A32B14C23	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.OCC=O	MC-0000019150	A37B14C23	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccccc1C=O	MC-0000019198	A40B14C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1ccc[nH]1	MC-0000018927	A23B15C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1	MC-0000018975	A26B15C23	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000019007	A28B15C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1ccccn1	MC-0000019071	A32B15C23	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000019103	A34B15C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1cccs1	MC-0000019119	A35B15C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.OCC=O	MC-0000019151	A37B15C23	110	100	110	110	110
CO.CC(=O)C=O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1	MC-0000019215	A41B15C23	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1ccc2OCOc2c1	MC-0000019231	A42B15C23	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.C=O	MC-0000019263	A44B15C23	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1	MC-0000018928	A23B16C23	110	100	110	36.308	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018960	A25B16C23	110	100	110	37.154	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O	MC-0000018992	A27B16C23	110	100	110	23.988	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1	MC-0000019056	A31B16C23	110	100	110	15.136	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1	MC-0000019072	A32B16C23	110	100	110	19.498	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.Clc1nc2ccccc2cc1C=O	MC-0000019088	A33B16C23	110	100	110	16.982	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC=O	MC-0000019152	A37B16C23	110	100	110	2.818	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O	MC-0000019184	A39B16C23	110	100	110	38.019	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O	MC-0000019200	A40B16C23	110	100	110	33.884	110
CO.COc1cccc(C=O)c1OC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000019248	A43B16C23	110	100	110	53.703	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.C=O	MC-0000019264	A44B16C23	110	100	110	3.715	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019345	A6B1C24	74.131	100	110	33.884	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019361	A7B1C24	47.863	100	110	30.903	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019425	A11B1C24	48.978	96.7	84.43	36.308	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019473	A14B1C24	51.286	100	110	19.953	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019553	A19B1C24	110	100	110	28.84	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019585	A21B1C24	51.286	100	110	45.709	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019442	A12B2C24	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019458	A13B2C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019474	A14B2C24	110	100	110	110	110
CO.CSCCC=O.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019506	A16B2C24	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019522	A17B2C24	110	100	110	110	110
CO.COC(=O)c1ccc(C=O)cc1.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019538	A18B2C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019570	A20B2C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019586	A21B2C24	110	100	110	110	110
Cl.Cl.CO.CCCCCC=O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019267	A1B3C24	110	40.5	110	27.542	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019363	A7B3C24	110	100	110	35.481	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019459	A13B3C24	110	100	110	45.709	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019491	A15B3C24	110	100	110	33.113	110
Cl.Cl.CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019523	A17B3C24	110	100	110	28.84	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019571	A20B3C24	110	100	110	37.154	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019603	A22B3C24	110	100	110	34.674	110
CO.Nc1ccncc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019284	A2B4C24	110	100	110	110	110
CO.Nc1ccncc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019316	A4B4C24	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019348	A6B4C24	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019396	A9B4C24	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019444	A12B4C24	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019476	A14B4C24	110	100	110	110	110
CO.Nc1ccncc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019556	A19B4C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019285	A2B5C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019493	A15B5C24	110	100	110	110	110
CO.CSCCC=O.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019509	A16B5C24	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019525	A17B5C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019573	A20B5C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019605	A22B5C24	110	100	110	110	110
CO.Nc1cccnc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019318	A4B6C24	110	100	110	110	110
CO.CC(C)CC=O.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019334	A5B6C24	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019350	A6B6C24	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019366	A7B6C24	110	100	110	110	110
CO.Nc1cccnc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019382	A8B6C24	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019414	A10B6C24	110	100	110	110	110
CO.CCCOc1ccc(C=O)cc1.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019462	A13B6C24	110	100	110	110	110
CO.Nc1cccnc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019558	A19B6C24	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019606	A22B6C24	110	100	110	110	110
CO.CCCCCC=O.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019271	A1B7C24	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019367	A7B7C24	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019495	A15B7C24	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019575	A20B7C24	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019591	A21B7C24	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019607	A22B7C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019288	A2B8C24	110	100	110	110	110
O.CO.CCN(CC)CC.COc1cc(C=O)cc(OC)c1OC.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019304	A3B8C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019352	A6B8C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019400	A9B8C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019416	A10B8C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019448	A12B8C24	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019464	A13B8C24	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)c1ccc(C=O)cc1.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019544	A18B8C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019592	A21B8C24	110	100	110	110	110
Cl.CO.CCCCCC=O.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019273	A1B9C24	110	100	110	70.795	110
Cl.CO.NCc1cccc(N)c1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019321	A4B9C24	110	100	110	87.096	110
Cl.CO.NCc1cccc(N)c1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019369	A7B9C24	110	100	110	53.703	110
Cl.CO.NCc1cccc(N)c1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019385	A8B9C24	110	100	110	77.625	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019433	A11B9C24	110	100	72.64	110	110
Cl.CO.NCc1cccc(N)c1.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019497	A15B9C24	110	100	110	110	110
Cl.CO.CSCCC=O.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019513	A16B9C24	110	100	110	60.256	110
CO.CCCCCC=O.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019274	A1B10C24	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019306	A3B10C24	110	100	110	110	110
CO.NCc1ccncc1.[O-][N+](=O)c1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019386	A8B10C24	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019434	A11B10C24	110	100	99.91	110	110
CO.NCc1ccncc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019498	A15B10C24	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019530	A17B10C24	110	100	110	110	110
CO.NCc1ccncc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019578	A20B10C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019291	A2B11C24	110	100	110	85.114	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019323	A4B11C24	110	100	85.69	30.2	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019371	A7B11C24	110	100	47.35	42.658	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019435	A11B11C24	110	100	27.46	39.811	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019451	A12B11C24	72.444	100	25.03	23.988	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019483	A14B11C24	110	100	55.63	42.658	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019499	A15B11C24	100	100	42.31	34.674	110
Cl.Cl.CO.COC(=O)c1ccc(C=O)cc1.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019547	A18B11C24	110	100	62.65	48.978	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019563	A19B11C24	110	100	60.22	43.652	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019595	A21B11C24	110	100	53.38	36.308	110
CO.COc1cc(C=O)cc(OC)c1OC.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019308	A3B12C24	110	100	110	110	110
CO.CC(C)CC=O.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019340	A5B12C24	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccccc1OCc2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019404	A9B12C24	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)c2ccccc2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019420	A10B12C24	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019436	A11B12C24	110	100	110	110	110
CO.NCc1cccnc1.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019500	A15B12C24	110	100	110	110	110
CO.CSCCC=O.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019516	A16B12C24	110	100	110	110	110
CO.COc1cc(OC)cc(C=O)c1.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019532	A17B12C24	110	100	110	110	110
CO.NCc1cccnc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019564	A19B12C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019293	A2B13C24	110	100	110	52.481	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019453	A12B13C24	19.498	100	110	11.22	110
Cl.Cl.CO.CCCOc1ccc(C=O)cc1.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019469	A13B13C24	41.687	100	110	52.481	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019597	A21B13C24	19.498	100	110	26.303	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019294	A2B14C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019454	A12B14C24	110	100	110	110	110
O.CO.CCCOc1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019470	A13B14C24	110	100	110	110	110
O.CO.COC(=O)c1ccc(C=O)cc1.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019550	A18B14C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019582	A20B14C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019598	A21B14C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1c[nH]c2ccccc12.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019295	A2B15C24	110	100	110	110	110
CO.COc1cc(C=O)cc(OC)c1OC.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019311	A3B15C24	110	100	110	110	110
CO.Nc1ccccc1.Clc1ccc(C=O)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019327	A4B15C24	110	100	110	110	110
CO.CC(C)CC=O.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019343	A5B15C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccco1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019359	A6B15C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc(cc1)N2CCCC2.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019439	A11B15C24	110	100	94.06	110	110
CO.Nc1ccccc1.O=Cc1ccc2ccccc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019455	A12B15C24	110	100	110	110	110
CO.Nc1ccccc1.OCc1ccc(C=O)o1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019567	A19B15C24	110	100	110	110	110
CO.Nc1ccccc1.O=CC=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019583	A20B15C24	110	100	110	110	110
CO.Nc1ccccc1.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019599	A21B15C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019615	A22B15C24	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1coc2ccccc2c1=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019376	A7B16C24	110	100	110	51.286	110
CO.CCCOc1ccc(C=O)cc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019472	A13B16C24	110	100	110	70.795	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc(Oc2ccccc2)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019488	A14B16C24	110	100	110	37.154	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019504	A15B16C24	110	100	110	51.286	110
CO.CSCCC=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019520	A16B16C24	110	100	110	42.658	110
CO.COc1cc(OC)cc(C=O)c1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019536	A17B16C24	110	100	110	48.978	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CC1CCCCC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019600	A21B16C24	110	100	110	54.954	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019616	A22B16C24	110	100	110	48.978	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019617	A23B1C24	28.84	100	110	32.359	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019665	A26B1C24	21.878	100	110	6.457	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019761	A32B1C24	38.905	100	97.39	23.988	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(c1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019793	A34B1C24	85.114	100	110	17.378	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019921	A42B1C24	38.905	100	110	23.442	110
O.Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019953	A44B1C24	42.658	100	110	1.148	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019618	A23B2C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019746	A31B2C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019762	A32B2C24	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.NC(CCCNC(=N)N)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019938	A43B2C24	110	100	110	110	110
O.CO.NC(CCCNC(=N)N)C(=O)O.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019954	A44B2C24	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019651	A25B3C24	110	100	110	30.903	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019683	A27B3C24	110	100	110	24.547	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019811	A35B3C24	110	100	110	70.795	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019875	A39B3C24	110	100	110	20.417	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019891	A40B3C24	110	100	110	30.2	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019939	A43B3C24	110	100	110	36.308	110
CO.Nc1ccncc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019620	A23B4C24	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019636	A24B4C24	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019668	A26B4C24	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019700	A28B4C24	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019716	A29B4C24	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019796	A34B4C24	110	100	110	110	110
CO.Nc1ccncc1.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019860	A38B4C24	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019908	A41B4C24	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019924	A42B4C24	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019940	A43B4C24	110	100	110	110	110
CO.COc1cc(C=O)ccc1OCc2ccccc2.NCc1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019653	A25B5C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019685	A27B5C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019813	A35B5C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019845	A37B5C24	110	100	110	110	110
O.CO.NCc1ccc(N)cc1.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019957	A44B5C24	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019622	A23B6C24	110	100	110	110	110
CO.CCOC(=O)C1CC1C=O.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019638	A24B6C24	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019670	A26B6C24	110	100	110	110	110
CO.CCOC(=O)C=C(C)C=O.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019718	A29B6C24	110	100	110	110	110
CO.Nc1cccnc1.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019750	A31B6C24	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019798	A34B6C24	110	100	110	110	110
CO.Nc1cccnc1.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019846	A37B6C24	110	100	110	110	110
CO.CC(=O)C=O.Nc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019910	A41B6C24	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019926	A42B6C24	110	100	110	110	110
O.CO.Nc1cccnc1.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019958	A44B6C24	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019687	A27B7C24	110	100	110	110	110
CO.Nc1cccc(N)c1.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019751	A31B7C24	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019767	A32B7C24	110	100	110	110	110
CO.Nc1cccc(N)c1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019783	A33B7C24	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019799	A34B7C24	110	100	110	110	110
CO.Nc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019879	A39B7C24	110	100	110	110	110
O.CO.Nc1cccc(N)c1.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019959	A44B7C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019624	A23B8C24	110	100	110	110	110
O.CO.CCOC(=O)C1CC1C=O.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019640	A24B8C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019768	A32B8C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019816	A35B8C24	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019864	A38B8C24	110	100	110	110	110
O.CO.CCN(CC)CC.CC(=O)C=O.NC(Cc1ccc(N)cc1)C(=O)O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019912	A41B8C24	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019673	A26B9C24	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019689	A27B9C24	110	100	110	44.668	110
Cl.CO.NCc1cccc(N)c1.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019753	A31B9C24	110	100	110	87.096	110
Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019801	A34B9C24	110	100	110	40.738	110
Cl.CO.NCc1cccc(N)c1.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019865	A38B9C24	110	100	110	50.119	110
Cl.CO.NCc1cccc(N)c1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019881	A39B9C24	110	100	110	28.84	110
Cl.CO.CC(=O)C=O.NCc1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019913	A41B9C24	110	100	110	14.454	110
CO.NCc1ccncc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019674	A26B10C24	110	100	110	110	110
CO.NCc1ccncc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019690	A27B10C24	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019706	A28B10C24	110	100	110	110	110
CO.NCc1ccncc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019786	A33B10C24	110	100	110	110	110
CO.CC(=O)C=O.NCc1ccncc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019914	A41B10C24	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019659	A25B11C24	95.499	100	53.38	25.119	110
Cl.Cl.CO.CCOC(=O)C=C(C)C=O.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019723	A29B11C24	110	100	42.85	30.903	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019771	A32B11C24	110	100	37.63	35.481	110
Cl.Cl.CO.CN(C)c1ccc(C=CC=O)cc1.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019803	A34B11C24	91.201	100	23.05	18.197	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019851	A37B11C24	39.811	100	22.78	24.547	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019883	A39B11C24	110	100	44.29	30.2	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019899	A40B11C24	110	100	110	27.542	110
Cl.Cl.CO.CC(=O)C=O.NC(=N)c1ccc(N)cc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019915	A41B11C24	100	100	31.06	30.2	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019931	A42B11C24	110	100	29.44	26.915	110
O.Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019963	A44B11C24	53.703	100	57.16	30.2	110
CO.CCOC(=O)C1CC1C=O.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019644	A24B12C24	110	100	110	110	110
CO.NCc1cccnc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019692	A27B12C24	110	100	110	110	110
O.CO.NCc1cccnc1.O=Cc1ncc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019740	A30B12C24	110	100	110	110	110
CO.NCc1cccnc1.Clc1nc2ccccc2cc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019788	A33B12C24	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019804	A34B12C24	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019820	A35B12C24	110	100	110	110	110
CO.NCc1cccnc1.O=CC1CC1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019868	A38B12C24	110	100	110	110	110
CO.NCc1cccnc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019884	A39B12C24	110	100	110	110	110
CO.CC(=O)C=O.NCc1cccnc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019916	A41B12C24	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019932	A42B12C24	110	100	110	110	110
Cl.Cl.CO.COc1cc(C=O)ccc1OCc2ccccc2.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019661	A25B13C24	42.658	100	110	26.303	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019757	A31B13C24	10.965	100	110	11.749	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019821	A35B13C24	37.154	100	110	44.668	110
Cl.Cl.CO.COc1cccc(C=O)c1OC.NC(=N)c1cccc(N)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019949	A43B13C24	22.909	100	91.72	21.38	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019630	A23B14C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019758	A31B14C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019774	A32B14C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019822	A35B14C24	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019886	A39B14C24	110	100	110	110	110
O.CO.COc1cccc(C=O)c1OC.NC(=O)c1ccc(N)nc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019950	A43B14C24	110	100	110	110	110
O.O.CO.NC(=O)c1ccc(N)nc1.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019966	A44B14C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019631	A23B15C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccc(Oc2ccccc2)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019679	A26B15C24	110	100	110	110	110
CO.Nc1ccccc1.OCC(O)C(O)CC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019695	A27B15C24	110	100	110	110	110
CO.COc1ccc2[nH]cc(C=O)c2c1.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019711	A28B15C24	110	100	110	110	110
CO.CN(C)c1ccc(C=CC=O)cc1.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019807	A34B15C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019823	A35B15C24	110	100	110	110	110
CO.Nc1ccccc1.OCC=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019855	A37B15C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccccc1C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019903	A40B15C24	110	100	110	110	110
CO.CC(=O)C=O.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019919	A41B15C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc2OCOc2c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019935	A42B15C24	110	100	110	110	110
CO.COc1cccc(C=O)c1OC.Nc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019951	A43B15C24	110	100	110	110	110
O.CO.Nc1ccccc1.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019967	A44B15C24	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc[nH]1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019632	A23B16C24	110	100	110	22.387	110
CO.CCOC(=O)C=C(C)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019728	A29B16C24	110	100	110	28.184	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=CCc1ccccc1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019760	A31B16C24	110	100	110	28.84	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccccn1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019776	A32B16C24	110	100	50.23	27.542	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1cccs1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019824	A35B16C24	110	100	110	46.774	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019888	A39B16C24	110	100	110	38.019	110
CO.CC(=O)C=O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019920	A41B16C24	81.283	100	110	21.878	110
O.CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=O.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019968	A44B16C24	110	100	110	1.995	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=CC1CC1.[C-]#[N+]CCCN1CCOCC1	MC-0000017747	A38B3C21	110	100	89.74	50.119	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1cccc(Oc2ccccc2)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017555	A26B3C21	110	100	110	51.286	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.NCc1ccc(cc1)C(=N)N.[C-]#[N+]CCCN1CCOCC1	MC-0000017587	A28B3C21	110	100	69.49	64.565	110
Cl.Cl.CO.COc1ccc2[nH]cc(C=O)c2c1.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N	MC-0000018995	A28B3C23	110	100	110	41.687	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005758	A36B14C4	110	100	110	110	110
Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011385	A36B9C12	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010673	A36B1C11	110	100	110	46.774	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012797	A36B13C14	33.113	100	110	45.709	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017721	A36B9C21	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016310	A36B6C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017010	A36B2C20	110	100	110	110	110
CO.C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010677	A36B5C11	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004340	A36B4C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013504	A36B16C15	110	100	110	47.863	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012785	A36B1C14	110	100	110	53.703	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019838	A36B14C24	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017727	A36B15C21	110	100	110	110	110
CO.Nc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008566	A36B6C8	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012093	A36B13C13	66.069	100	110	25.704	110
CO.Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016319	A36B15C19	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010678	A36B6C11	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010676	A36B4C11	110	100	110	110	110
O.CO.COCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009982	A36B14C10	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019122	A36B2C23	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011382	A36B6C12	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014198	A36B6C16	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004348	A36B12C2	110	100	110	110	110
CO.Nc1ccccc1.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008575	A36B15C8	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011388	A36B12C12	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006456	A36B8C5	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007157	A36B5C6	110	100	110	110	110
O.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012094	A36B14C13	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013492	A36B4C15	110	100	110	110	110
Cl.CO.C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010681	A36B9C11	110	100	110	75.858	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019124	A36B4C23	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015604	A36B4C18	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018423	A36B7C22	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007163	A36B11C6	110	100	59.95	32.359	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013496	A36B8C15	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004349	A36B13C2	11.749	19.8	110	11.482	110
CO.COC(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007154	A36B2C6	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014207	A36B15C16	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017016	A36B8C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015602	A36B2C18	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007155	A36B3C6	110	100	110	50.119	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015614	A36B14C18	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003642	A36B10C1	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004352	A36B16C2	110	44	110	2.63	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019133	A36B13C23	2.951	100	110	12.882	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012087	A36B7C13	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004351	A36B15C2	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007872	A36B16C7	110	100	110	110	110
Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004345	A36B9C2	110	100	110	110	110
Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018425	A36B9C22	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004347	A36B11C2	50.119	100	86.05	36.308	110
Cl.CO.CCCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012793	A36B9C14	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009972	A36B4C10	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007866	A36B10C7	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012788	A36B4C14	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015607	A36B7C18	110	100	110	110	110
Cl.Cl.CO.CCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012795	A36B11C14	110	100	110	45.709	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012092	A36B12C13	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016316	A36B12C19	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017728	A36B16C21	110	100	110	75.858	110
CO.NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015612	A36B12C18	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016309	A36B5C19	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019123	A36B3C23	110	100	110	42.658	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016313	A36B9C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018421	A36B5C22	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018419	A36B3C22	110	100	110	58.884	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011389	A36B13C12	28.184	100	110	70.795	110
Cl.CO.COCC[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009977	A36B9C10	110	100	110	85.114	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019132	A36B12C23	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005045	A36B5C3	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007160	A36B8C6	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019829	A36B5C24	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019136	A36B16C23	110	100	110	43.652	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010683	A36B11C11	110	100	110	46.774	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012096	A36B16C13	110	100	110	53.703	110
CO.Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017012	A36B4C20	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016307	A36B3C19	110	100	110	22.909	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013502	A36B14C15	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011391	A36B15C12	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017723	A36B11C21	110	100	30.07	37.154	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009273	A36B9C9	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017725	A36B13C21	44.668	100	110	45.709	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013499	A36B11C15	110	100	29.89	38.019	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015608	A36B8C18	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013501	A36B13C15	52.481	100	110	23.442	110
Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006457	A36B9C5	110	100	110	85.114	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005052	A36B12C3	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017015	A36B7C20	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019833	A36B9C24	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017020	A36B12C20	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005755	A36B11C4	110	100	110	67.608	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005757	A36B13C4	25.119	78.8	110	53.703	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011379	A36B3C12	110	100	110	58.884	110
Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007161	A36B9C6	110	100	110	70.795	110
CO.COCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009984	A36B16C10	110	100	110	58.884	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007859	A36B3C7	110	100	110	74.131	110
CO.Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009268	A36B4C9	110	100	110	110	110
CO.CCCC[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012800	A36B16C14	110	100	110	44.668	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011383	A36B7C12	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014900	A36B4C17	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014905	A36B9C17	110	100	110	87.096	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007165	A36B13C6	46.774	100	110	38.905	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009971	A36B3C10	110	100	110	79.433	110
CO.Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005750	A36B6C4	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007167	A36B15C6	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017017	A36B9C20	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016305	A36B1C19	38.019	100	110	10.233	110
CO.Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014903	A36B7C17	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005041	A36B1C3	100	100	110	40.738	110
CO.CC(C)(C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006458	A36B10C5	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007158	A36B6C6	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005050	A36B10C3	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017724	A36B12C21	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007168	A36B16C6	110	100	110	53.703	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014195	A36B3C16	110	100	110	74.131	110
CO.NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016314	A36B10C19	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019125	A36B5C23	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015610	A36B10C18	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003636	A36B4C1	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018417	A36B1C22	110	100	110	41.687	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005747	A36B3C4	110	100	110	45.709	110
O.CO.C[Si](C)(C)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011390	A36B14C12	110	100	110	110	110
O.CO.C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010686	A36B14C11	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014201	A36B9C16	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005759	A36B15C4	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005055	A36B15C3	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014204	A36B12C16	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009980	A36B12C10	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005751	A36B7C4	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016312	A36B8C19	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006459	A36B11C5	110	100	110	64.565	110
CO.COC(=O)C[N+]#[C-].NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007164	A36B12C6	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019828	A36B4C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016306	A36B2C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017714	A36B2C21	110	100	110	110	110
CO.CCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012796	A36B12C14	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003635	A36B3C1	110	100	110	40.738	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006451	A36B3C5	110	100	110	51.286	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005043	A36B3C3	110	100	110	51.286	110
O.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004350	A36B14C2	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009981	A36B13C10	19.953	100	110	36.308	110
CO.COC(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007156	A36B4C6	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015611	A36B11C18	110	100	66.34	28.84	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007857	A36B1C7	110	100	110	64.565	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015613	A36B13C18	28.84	100	93.61	37.154	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003646	A36B14C1	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007159	A36B7C6	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017022	A36B14C20	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007858	A36B2C7	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007863	A36B7C7	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015603	A36B3C18	110	100	110	50.119	110
Cl.Cl.CO.COCC[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009969	A36B1C10	110	100	110	53.703	110
CO.COCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009974	A36B6C10	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013500	A36B12C15	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013491	A36B3C15	110	100	110	53.703	110
Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012089	A36B9C13	110	100	110	75.858	110
CO.CC(C)(C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006453	A36B5C5	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014199	A36B7C16	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012790	A36B6C14	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012085	A36B5C13	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014193	A36B1C16	110	100	110	52.481	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018424	A36B8C22	110	100	110	110	110
CO.COCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009978	A36B10C10	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009266	A36B2C9	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004343	A36B7C2	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005745	A36B1C4	110	100	110	29.512	110
CO.CCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012794	A36B10C14	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018430	A36B14C22	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014206	A36B14C16	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008562	A36B2C8	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006450	A36B2C5	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017018	A36B10C20	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009271	A36B7C9	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009267	A36B3C9	110	100	110	38.019	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008568	A36B8C8	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017011	A36B3C20	110	100	110	46.774	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019130	A36B10C23	110	100	110	110	110
O.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019134	A36B14C23	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005044	A36B4C3	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005047	A36B7C3	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018420	A36B4C22	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003633	A36B1C1	110	100	110	45.709	110
CO.NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019836	A36B12C24	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017719	A36B7C21	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005051	A36B11C3	110	100	110	39.811	110
CO.NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014901	A36B5C17	110	100	110	110	110
O.CO.CCCC[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012798	A36B14C14	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013494	A36B6C15	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018427	A36B11C22	110	100	110	77.625	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004342	A36B6C2	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015601	A36B1C18	110	100	110	53.703	110
CO.Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007860	A36B4C7	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015606	A36B6C18	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013490	A36B2C15	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013489	A36B1C15	110	100	110	51.286	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004338	A36B2C2	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014907	A36B11C17	95.499	100	110	51.286	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005046	A36B6C3	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014909	A36B13C17	40.738	50	110	46.774	110
CO.NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009276	A36B12C9	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017722	A36B10C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019135	A36B15C23	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013503	A36B15C15	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003641	A36B9C1	110	100	110	87.096	110
CO.NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014908	A36B12C17	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014898	A36B2C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003640	A36B8C1	110	100	110	110	110
Cl.Cl.CO.COCC[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009979	A36B11C10	110	100	99.82	42.658	110
CO.NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014202	A36B10C16	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015615	A36B15C18	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009265	A36B1C9	110	100	110	39.811	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017009	A36B1C20	110	100	110	52.481	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.C[Si](C)(C)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011392	A36B16C12	110	100	110	51.286	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006464	A36B16C5	110	100	110	46.774	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008576	A36B16C8	110	100	110	70.795	110
CO.Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013495	A36B7C15	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017715	A36B3C21	110	100	110	57.544	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019121	A36B1C23	91.201	100	110	33.113	110
CO.CCOP(=O)(C[N+]#[C-])OCC.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005056	A36B16C3	110	100	110	89.125	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006461	A36B13C5	32.359	72.3	110	50.119	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008563	A36B3C8	110	100	110	48.978	110
Cl.CO.NCc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008569	A36B9C8	110	100	110	81.283	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019827	A36B3C24	110	100	110	25.119	110
O.CO.CC(C)(C)[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006462	A36B14C5	110	100	110	110	110
CO.C[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010679	A36B7C11	110	100	110	110	110
CO.C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010674	A36B2C11	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009275	A36B11C9	110	100	70.12	31.623	110
O.CO.CCN(CC)CC.COCC[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009976	A36B8C10	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009277	A36B13C9	110	100	110	36.308	110
CO.Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017716	A36B4C21	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019126	A36B6C23	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013498	A36B10C15	110	100	110	110	57.544
CO.Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016308	A36B4C19	110	100	110	110	110
Cl.Cl.CO.COC(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007153	A36B1C6	110	100	110	46.774	110
Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019129	A36B9C23	110	100	110	79.433	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003648	A36B16C1	110	100	110	53.703	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016318	A36B14C19	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005746	A36B2C4	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016311	A36B7C19	110	100	110	110	110
O.CO.CCN(CC)CC.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019128	A36B8C23	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017014	A36B6C20	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019131	A36B11C23	110	100	110	75.858	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019826	A36B2C24	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012091	A36B11C13	110	100	72.1	37.154	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018422	A36B6C22	110	100	110	110	110
CO.C[N+]#[C-].NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010684	A36B12C11	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014203	A36B11C16	110	100	93.16	43.652	110
CO.Nc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008564	A36B4C8	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014205	A36B13C16	25.119	100	110	52.481	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017713	A36B1C21	110	100	110	54.954	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011381	A36B5C12	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019834	A36B10C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015605	A36B5C18	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012081	A36B1C13	110	100	110	57.544	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017019	A36B11C20	110	100	58.06	38.905	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017021	A36B13C20	34.674	100	110	38.019	110
CO.C[Si](C)(C)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011378	A36B2C12	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006463	A36B15C5	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014194	A36B2C16	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008561	A36B1C8	110	100	110	46.774	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019825	A36B1C24	42.658	100	110	23.442	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005752	A36B8C4	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017023	A36B15C20	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009278	A36B14C9	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009272	A36B8C9	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006454	A36B6C5	110	100	110	110	110
CO.Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014196	A36B4C16	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019840	A36B16C24	110	100	110	28.184	110
CO.NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003637	A36B5C1	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018418	A36B2C22	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009270	A36B6C9	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009274	A36B10C9	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005054	A36B14C3	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012082	A36B2C13	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006460	A36B12C5	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014902	A36B6C17	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010675	A36B3C11	110	100	110	52.481	110
CO.NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014906	A36B10C17	110	100	110	110	110
CO.C[N+]#[C-].Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010688	A36B16C11	110	100	110	51.286	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014208	A36B16C16	110	100	110	48.978	110
CO.CC(C)(C)[N+]#[C-].Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006452	A36B4C5	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005749	A36B5C4	110	100	110	110	110
CO.CC(C)(C)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006455	A36B7C5	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009983	A36B15C10	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009269	A36B5C9	110	100	110	110	110
O.CO.CCN(CC)CC.COC(=O)C(=CN(C)C)[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004344	A36B8C2	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005753	A36B9C4	110	100	110	79.433	110
CO.Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009279	A36B15C9	110	100	110	110	110
Cl.Cl.CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012083	A36B3C13	110	100	110	54.954	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019832	A36B8C24	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013493	A36B5C15	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012799	A36B15C14	110	100	110	110	110
CO.COCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009975	A36B7C10	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014911	A36B15C17	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003638	A36B6C1	110	100	110	110	110
CO.NCc1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008565	A36B5C8	110	100	110	110	110
CO.NCc1cccnc1.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008572	A36B12C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008574	A36B14C8	110	100	110	110	110
CO.CCCC[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012791	A36B7C14	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018428	A36B12C22	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012090	A36B10C13	110	100	110	110	110
Cl.Cl.CO.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014899	A36B3C17	110	100	110	51.286	110
CO.Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019830	A36B6C24	110	100	110	110	110
CO.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003634	A36B2C1	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004339	A36B3C2	91.201	100	99.91	3.236	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005760	A36B16C4	110	100	110	58.884	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015616	A36B16C18	110	100	110	63.096	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007870	A36B14C7	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003647	A36B15C1	110	100	110	110	110
O.CO.COC(=O)C[N+]#[C-].NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007166	A36B14C6	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012086	A36B6C13	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008571	A36B11C8	97.724	100	83.62	39.811	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017024	A36B16C20	110	100	110	58.884	110
CO.NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005756	A36B12C4	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008573	A36B13C8	33.884	100	110	58.884	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014200	A36B8C16	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007867	A36B11C7	110	100	110	42.658	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007869	A36B13C7	30.903	100	110	30.2	110
CO.Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019839	A36B15C24	110	100	110	110	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003643	A36B11C1	110	100	85.78	21.878	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003645	A36B13C1	70.795	100	110	19.498	110
CO.C[N+]#[C-].NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010682	A36B10C11	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003639	A36B7C1	110	100	110	110	110
CO.CC(C)(C)OC(=O)NC1CCC(CC1)[N+]#[C-].Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000019127	A36B7C23	110	100	110	110	110
O.CO.CCOP(=O)(C[N+]#[C-])OCC.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005048	A36B8C3	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017717	A36B5C21	110	100	110	110	110
Cl.Cl.CO.C[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010685	A36B13C11	24.547	100	110	27.542	110
O.CO.CCCC[N+]#[C-].CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012792	A36B8C14	110	100	110	110	110
CO.C[N+]#[C-].Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010687	A36B15C11	110	100	110	110	110
Cl.Cl.CO.NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014897	A36B1C17	85.114	100	110	24.547	110
CO.COCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009973	A36B5C10	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cn1nnc2ccccc12	MC-0000013497	A36B9C15	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012084	A36B4C13	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000006449	A36B1C5	110	100	110	56.234	110
CO.CCCC[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012789	A36B5C14	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]c1ccccc1	MC-0000017013	A36B5C20	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012095	A36B15C13	110	100	110	110	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004341	A36B5C2	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018431	A36B15C22	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014904	A36B8C17	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017720	A36B8C21	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007862	A36B6C7	110	100	110	110	110
Cl.Cl.CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018429	A36B13C22	30.2	100	110	41.687	110
Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005049	A36B9C3	110	100	110	110	110
CO.Nc1cccc(N)c1.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008567	A36B7C8	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011380	A36B4C12	110	100	110	110	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011377	A36B1C12	110	100	110	50.119	110
CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004346	A36B10C2	110	100	110	110	110
Cl.Cl.CO.CCOP(=O)(C[N+]#[C-])OCC.NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005053	A36B13C3	37.154	78.6	110	38.905	110
CO.Nc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005748	A36B4C4	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccccc1	MC-0000015609	A36B9C18	110	100	110	110	110
O.CO.CCN(CC)CC.NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007864	A36B8C7	110	100	110	110	110
CO.NCc1ccncc1.C=CC[N+]#[C-].O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000008570	A36B10C8	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017726	A36B14C21	110	100	110	110	110
CO.Nc1ccccc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007871	A36B15C7	110	100	110	110	110
Cl.Cl.CO.COC(=O)C(=CN(C)C)[N+]#[C-].NCc1cccc(c1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000004337	A36B1C2	5.888	67.4	89.02	2.138	110
Cl.Cl.CO.CCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012787	A36B3C14	110	100	110	42.658	110
CO.NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCNC(c1ccccc1)(c2ccccc2)c3ccccc3	MC-0000003644	A36B12C1	110	100	110	110	110
CO.COCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000009970	A36B2C10	110	100	110	110	110
Cl.CO.NCc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007865	A36B9C7	110	100	110	110	110
CO.CCOP(=O)(C[N+]#[C-])OCC.NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000005042	A36B2C3	110	100	110	110	110
O.CO.CCN(CC)CC.C[Si](C)(C)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011384	A36B8C12	110	100	110	110	110
CO.C[Si](C)(C)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011386	A36B10C12	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016320	A36B16C19	110	77.8	110	44.668	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016315	A36B11C19	110	100	64.27	41.687	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])NCCc1c[nH]c2ccccc12	MC-0000016317	A36B13C19	33.113	100	110	35.481	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014912	A36B16C17	110	100	110	52.481	110
CO.CCCC[N+]#[C-].NC(CCCNC(=N)N)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012786	A36B2C14	110	100	110	110	110
O.CO.NC(=O)c1ccc(N)nc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1cccnc1	MC-0000014910	A36B14C17	110	100	110	110	110
CO.NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007861	A36B5C7	110	100	110	110	110
O.CO.CCN(CC)CC.Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000012088	A36B8C13	110	100	110	110	110
CO.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018426	A36B10C22	110	100	110	110	110
CO.NCc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]Cc1ccncc1	MC-0000007868	A36B12C7	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)OC(=O)NCCC[N+]#[C-].NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000018432	A36B16C22	110	100	110	58.884	110
Cl.Cl.CO.NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019835	A36B11C24	110	100	36.19	29.512	110
Cl.Cl.CO.NC(=N)c1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019837	A36B13C24	38.019	100	110	8.511	110
O.CO.CCN(CC)CC.C[N+]#[C-].NC(Cc1ccc(N)cc1)C(=O)O.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000010680	A36B8C11	110	100	110	110	110
CO.NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C1CCCCC1	MC-0000005754	A36B10C4	110	100	110	110	110
CO.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCc1ccc(cc1)C(=N)N.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCN1CCOCC1	MC-0000009280	A36B16C9	110	100	110	51.286	110
Cl.Cl.CO.C[Si](C)(C)C[N+]#[C-].NC(=N)c1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000011387	A36B11C12	89.125	100	70.93	47.863	110
CO.NCc1ccc(N)cc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]C(c1ccccc1)c2ccccc2	MC-0000014197	A36B5C16	110	100	110	110	110
CO.Nc1cccnc1.O=Cc1ccc-2c(Cc3ccccc32)c1.[C-]#[N+]CCCN1CCOCC1	MC-0000017718	A36B6C21	110	100	110	110	110
CO.COC(=O)C[N+]#[C-].NCc1ccncc1.O=Cc1ccc-2c(Cc3ccccc32)c1	MC-0000007162	A36B10C6	110	100	110	110	110
CO.Nc1cccc(N)c1.O=Cc1ccc-2c(Cc3ccccc32)c1.O=C(C[N+]#[C-])N1CCc2ccccc2C1	MC-0000019831	A36B7C24	110	100	110	110	110