smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000035958733	558835907	/nfs/dbraw/zinc/83/59/07/558835907.db2.gz	VGORDRUIGKTDMY-BVIHXZOGSA-N	-1	2	419.484	2.405	40	0		HEABLM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000102636850	559151612	/nfs/dbraw/zinc/15/16/12/559151612.db2.gz	VGORDRUIGKTDMY-JLUCKKNBSA-N	-1	2	419.484	2.405	40	0		HEABLM
CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)sc2c1	ZINC000013565489	560813296	/nfs/dbraw/zinc/81/32/96/560813296.db2.gz	SKYCJAIYDURWIR-UHFFFAOYSA-N	-1	2	412.470	2.199	40	0		HEABLM
Cc1cc(=O)n(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)c1C(=O)[O-]	ZINC000001580219	557273831	/nfs/dbraw/zinc/27/38/31/557273831.db2.gz	OAFQBRCHNLWTBE-UHFFFAOYSA-N	-1	2	405.457	2.410	40	0		HEABLM
CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])[N@H+](Cc2cc(C)c(O)c(C(=O)[O-])c2)[C@H]1c1ccccc1	ZINC000257219653	568781900	/nfs/dbraw/zinc/78/19/00/568781900.db2.gz	DHPBAIZOTVIKJP-QYZOEREBSA-N	-1	2	412.442	2.304	40	0		HEABLM
CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])[N@@H+](Cc2cc(C)c(O)c(C(=O)[O-])c2)[C@H]1c1ccccc1	ZINC000257219653	568781901	/nfs/dbraw/zinc/78/19/01/568781901.db2.gz	DHPBAIZOTVIKJP-QYZOEREBSA-N	-1	2	412.442	2.304	40	0		HEABLM
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000223370459	568546746	/nfs/dbraw/zinc/54/67/46/568546746.db2.gz	VBRKEDYYQWIGDT-UHFFFAOYSA-N	-1	2	413.379	2.129	40	0		HEABLM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000225722946	568667925	/nfs/dbraw/zinc/66/79/25/568667925.db2.gz	VGORDRUIGKTDMY-IDTSFGKNSA-N	-1	2	419.484	2.405	40	0		HEABLM
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1	ZINC000006970365	569336748	/nfs/dbraw/zinc/33/67/48/569336748.db2.gz	AAJBYLCZEXEBLA-GZTJUZNOSA-N	-1	2	402.366	2.237	40	0		HEABLM
COP(=O)([N-]C(=O)Nc1cccc(NC(=O)NP(=O)(OC)OC)n1)OC	ZINC000082087383	559036791	/nfs/dbraw/zinc/03/67/91/559036791.db2.gz	ALYJDFXDAANAKQ-UHFFFAOYSA-N	-1	2	411.248	2.126	40	0		HEABLM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000097944586	560756824	/nfs/dbraw/zinc/75/68/24/560756824.db2.gz	VGORDRUIGKTDMY-PKIAMQTDSA-N	-1	2	419.484	2.405	40	0		HEABLM