smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N(CCCC(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)c1	ZINC000217035809	568470437	/nfs/dbraw/zinc/47/04/37/568470437.db2.gz	DDDZHEDJFAATEK-UHFFFAOYSA-N	1	1	410.584	1.295	40	70		HDIBMO
C[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218474090	568480733	/nfs/dbraw/zinc/48/07/33/568480733.db2.gz	UTNBALGJHUIAOZ-CQSZACIVSA-N	1	1	403.932	1.333	40	70		HDIBMO
CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)CC1	ZINC000216878238	568468998	/nfs/dbraw/zinc/46/89/98/568468998.db2.gz	ZPCRPJMIJANSAP-UHFFFAOYSA-N	1	1	414.959	1.054	40	70		HDIBMO
CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1	ZINC000216828584	568468177	/nfs/dbraw/zinc/46/81/77/568468177.db2.gz	DZNUTQHGFPENGD-UHFFFAOYSA-N	1	1	422.551	1.074	40	70		HDIBMO
CC[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccc(C)cc1)S(C)(=O)=O	ZINC000217016124	568470189	/nfs/dbraw/zinc/47/01/89/568470189.db2.gz	QNYOIFJKOISRCL-LJQANCHMSA-N	1	1	410.584	1.293	40	70		HDIBMO
COc1ccccc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O	ZINC000218310917	568478212	/nfs/dbraw/zinc/47/82/12/568478212.db2.gz	NHMXOGRGUWSZEW-UHFFFAOYSA-N	1	1	417.531	1.806	40	70		HDIBMO
Cn1c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1CN1CCCC1	ZINC000217559343	568472782	/nfs/dbraw/zinc/47/27/82/568472782.db2.gz	DFVUKPFFMHXSSI-DLBZAZTESA-N	1	1	410.518	1.468	40	70		HDIBMO
Cn1c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1CN1CCCC1	ZINC000217559343	568472783	/nfs/dbraw/zinc/47/27/83/568472783.db2.gz	DFVUKPFFMHXSSI-DLBZAZTESA-N	1	1	410.518	1.468	40	70		HDIBMO
C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218474021	568480741	/nfs/dbraw/zinc/48/07/41/568480741.db2.gz	UTNBALGJHUIAOZ-AWEZNQCLSA-N	1	1	403.932	1.333	40	70		HDIBMO
CC[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000217016776	568470100	/nfs/dbraw/zinc/47/01/00/568470100.db2.gz	IFSZMGRKGKKNHH-HXUWFJFHSA-N	1	1	424.611	1.602	40	70		HDIBMO
Cc1ccc(N(CCCC(=O)NCCC[NH+]2CCN(C)CC2)S(C)(=O)=O)cc1	ZINC000217035928	568470475	/nfs/dbraw/zinc/47/04/75/568470475.db2.gz	SUWMXBIAPPJXFO-UHFFFAOYSA-N	1	1	410.584	1.295	40	70		HDIBMO
Cn1nnc(-c2ccc(NC(=O)CC[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc2)n1	ZINC000217552736	568472773	/nfs/dbraw/zinc/47/27/73/568472773.db2.gz	MOCBZNXYZLPQLX-DOTOQJQBSA-N	1	1	419.489	1.487	40	70		HDIBMO
CC[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000217016548	568470138	/nfs/dbraw/zinc/47/01/38/568470138.db2.gz	DUOSLVMJSWCCIK-GOSISDBHSA-N	1	1	414.547	1.124	40	70		HDIBMO
CC[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000217016728	568470161	/nfs/dbraw/zinc/47/01/61/568470161.db2.gz	IFSZMGRKGKKNHH-FQEVSTJZSA-N	1	1	424.611	1.602	40	70		HDIBMO
Cn1c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[NH+]1CCCCC1	ZINC000217565349	568472757	/nfs/dbraw/zinc/47/27/57/568472757.db2.gz	RGBWMJSTQLDADF-ZWKOTPCHSA-N	1	1	424.545	1.858	40	70		HDIBMO
Cn1c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1CN1CCCCC1	ZINC000217565349	568472759	/nfs/dbraw/zinc/47/27/59/568472759.db2.gz	RGBWMJSTQLDADF-ZWKOTPCHSA-N	1	1	424.545	1.858	40	70		HDIBMO
CC[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccc(C)cc1)S(C)(=O)=O	ZINC000217016083	568470120	/nfs/dbraw/zinc/47/01/20/568470120.db2.gz	QNYOIFJKOISRCL-IBGZPJMESA-N	1	1	410.584	1.293	40	70		HDIBMO
CC[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000217016508	568470245	/nfs/dbraw/zinc/47/02/45/568470245.db2.gz	DUOSLVMJSWCCIK-SFHVURJKSA-N	1	1	414.547	1.124	40	70		HDIBMO