smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1S(=O)(=O)N1CCCCC1	ZINC000216911429	570309147	/nfs/dbraw/zinc/30/91/47/570309147.db2.gz	UVHWQHLKTLAQHJ-HNNXBMFYSA-N	1	1	395.525	2.150	40	70		GEIBMO
COc1ccc2c(c1)cc(C[N@@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)c(=O)n2C	ZINC000217564411	570318273	/nfs/dbraw/zinc/31/82/73/570318273.db2.gz	XYJAPFGBEOKPQM-DOTOQJQBSA-N	1	1	391.471	2.328	40	70		GEIBMO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216911555	570309198	/nfs/dbraw/zinc/30/91/98/570309198.db2.gz	LTZFJVMCQZKGPH-OAHLLOKOSA-N	1	1	395.525	2.150	40	70		GEIBMO
CCc1ccc(N2C(=O)C[C@@H]([N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217416856	570315973	/nfs/dbraw/zinc/31/59/73/570315973.db2.gz	CKOLHMOLPBZYCO-SQGPQFPESA-N	1	1	391.471	2.162	40	70		GEIBMO
CCc1ccc(N2C(=O)C[C@@H]([N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217416856	570315977	/nfs/dbraw/zinc/31/59/77/570315977.db2.gz	CKOLHMOLPBZYCO-SQGPQFPESA-N	1	1	391.471	2.162	40	70		GEIBMO
COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1S(=O)(=O)N1CCCCC1	ZINC000216911400	570309089	/nfs/dbraw/zinc/30/90/89/570309089.db2.gz	UVHWQHLKTLAQHJ-OAHLLOKOSA-N	1	1	395.525	2.150	40	70		GEIBMO
COc1ccccc1N1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1=O	ZINC000217688266	570320340	/nfs/dbraw/zinc/32/03/40/570320340.db2.gz	RUTPNRQEZGCVJK-OKZBNKHCSA-N	1	1	385.508	2.429	40	70		GEIBMO
CC(=O)Nc1ccc2c(c1)nc(C[N@@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)n2C	ZINC000217540516	570318188	/nfs/dbraw/zinc/31/81/88/570318188.db2.gz	QLENMSZXHYHAGD-JKSUJKDBSA-N	1	1	391.475	2.313	40	70		GEIBMO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216911584	570309005	/nfs/dbraw/zinc/30/90/05/570309005.db2.gz	LTZFJVMCQZKGPH-HNNXBMFYSA-N	1	1	395.525	2.150	40	70		GEIBMO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1	ZINC000217563226	570318057	/nfs/dbraw/zinc/31/80/57/570318057.db2.gz	NCIJXIRMWSDSKD-UONOGXRCSA-N	1	1	382.851	2.129	40	70		GEIBMO
COc1cccc(N2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)c1	ZINC000217672777	222581549	/nfs/dbraw/zinc/58/15/49/222581549.db2.gz	VCJAEHZANBYVDX-ABSDTBQOSA-N	1	1	385.508	2.429	40	70		GEIBMO
CN1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1	ZINC000217030464	570311941	/nfs/dbraw/zinc/31/19/41/570311941.db2.gz	HFBYBAQAACDWNT-UHFFFAOYSA-N	1	1	380.330	2.435	40	70		GEIBMO
CCc1ccc(OCC(=O)NCCC[NH+]2CCN(C)CC2)c(Br)c1	ZINC000217009738	570311248	/nfs/dbraw/zinc/31/12/48/570311248.db2.gz	QVTREBHLXSPFDT-UHFFFAOYSA-N	1	1	398.345	2.144	40	70		GEIBMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)COc1ccccc1	ZINC000216844418	570308217	/nfs/dbraw/zinc/30/82/17/570308217.db2.gz	HSTLBAHOEAQHOG-UHFFFAOYSA-N	1	1	383.448	2.100	40	70		GEIBMO
COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc1	ZINC000217700348	570320095	/nfs/dbraw/zinc/32/00/95/570320095.db2.gz	PRHPGKFXYSPMBS-ABSDTBQOSA-N	1	1	385.508	2.429	40	70		GEIBMO
CCc1ccc(N2C(=O)C[C@H]([N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217416783	529662480	/nfs/dbraw/zinc/66/24/80/529662480.db2.gz	CKOLHMOLPBZYCO-QKLQHJQFSA-N	1	1	391.471	2.162	40	70		GEIBMO
CCc1ccc(N2C(=O)C[C@H]([N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000217416783	529662482	/nfs/dbraw/zinc/66/24/82/529662482.db2.gz	CKOLHMOLPBZYCO-QKLQHJQFSA-N	1	1	391.471	2.162	40	70		GEIBMO
CC(=O)N1CCc2cc(C(=O)C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)ccc21	ZINC000217561913	570318256	/nfs/dbraw/zinc/31/82/56/570318256.db2.gz	GNLPPZAUBOWCCP-QFBILLFUSA-N	1	1	391.471	2.059	40	70		GEIBMO
CC(=O)N1CCc2cc(C(=O)C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)ccc21	ZINC000217561913	570318260	/nfs/dbraw/zinc/31/82/60/570318260.db2.gz	GNLPPZAUBOWCCP-QFBILLFUSA-N	1	1	391.471	2.059	40	70		GEIBMO