smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)ccc1NC(=O)C1=S=CC=C1	ZINC000534023483	1074539725	/nfs/dbraw/zinc/53/97/25/1074539725.db2.gz	NMVYKVMNSBUCCQ-UHFFFAOYSA-N	-1	0	405.461	0.985	20	10		HCCDRM
O=C(N[C@@H]1CCC(=O)NC1=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000764874519	1079379407	/nfs/dbraw/zinc/37/94/07/1079379407.db2.gz	BCMWBPHYWSDTCQ-LLVKDONJSA-N	-1	0	409.445	0.790	20	10		HCCDRM
O=C(N[C@H]1CCC(=O)NC1=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000764874520	1079379482	/nfs/dbraw/zinc/37/94/82/1079379482.db2.gz	BCMWBPHYWSDTCQ-NSHDSACASA-N	-1	0	409.445	0.790	20	10		HCCDRM
COCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000765046638	1079387571	/nfs/dbraw/zinc/38/75/71/1079387571.db2.gz	FOLFAORSDOLHRU-UHFFFAOYSA-N	-1	0	412.449	0.948	20	10		HCCDRM
COC(=O)CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000765051494	1079387042	/nfs/dbraw/zinc/38/70/42/1079387042.db2.gz	AMDUSJQJOHXSQN-UHFFFAOYSA-N	-1	0	404.404	0.855	20	10		HCCDRM
COc1cc(S(N)(=O)=O)c(OC)cc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000765089988	1079388826	/nfs/dbraw/zinc/38/88/26/1079388826.db2.gz	MXNNZNZKRFGELC-UHFFFAOYSA-N	-1	0	414.421	0.688	20	10		HCCDRM
COC(=O)[C@@H](O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000765394588	1079426458	/nfs/dbraw/zinc/42/64/58/1079426458.db2.gz	NABFIHAMFDWFEJ-LBPRGKRZSA-N	-1	0	400.434	0.518	20	10		HCCDRM
COCCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(C3=S=CC=C3)[n-]2)cc1	ZINC000917128012	1078228165	/nfs/dbraw/zinc/22/81/65/1078228165.db2.gz	YBNLUSDBJDDVHP-UHFFFAOYSA-N	-1	0	407.477	0.607	20	10		HCCDRM
O=C(Nc1nnc(C2=S=CC=C2)[n-]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000917128212	1078228258	/nfs/dbraw/zinc/22/82/58/1078228258.db2.gz	VXDMAAPVUAKMNI-UHFFFAOYSA-N	-1	0	419.488	0.704	20	10		HCCDRM
COCC(=O)N1CCN(Cc2cc(C(C)=O)cc(CN3CCOCC3)c2[O-])CC1	ZINC000917464256	1078295618	/nfs/dbraw/zinc/29/56/18/1078295618.db2.gz	HQHITLRBWKVCKS-UHFFFAOYSA-N	-1	0	405.495	0.718	20	10		HCCDRM
Cn1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1C(=O)[O-]	ZINC000917929990	1078350420	/nfs/dbraw/zinc/35/04/20/1078350420.db2.gz	LQODBVIBSGWQHZ-AWEZNQCLSA-N	-1	0	420.491	0.904	20	10		HCCDRM
Cn1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1C(=O)[O-]	ZINC000917929991	1078350506	/nfs/dbraw/zinc/35/05/06/1078350506.db2.gz	LQODBVIBSGWQHZ-CQSZACIVSA-N	-1	0	420.491	0.904	20	10		HCCDRM