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(CSc1ncccc1C(=O)NCc1c([O-])cccc1F)Nc1ccc2c(c1)OCO2	ZINC001303877778	1068512491	/nfs/dbraw/zinc/51/24/91/1068512491.db2.gz	GWTAMZSALDGJDH-UHFFFAOYSA-N	-1	3	455.467	3.316	20	10		JGCDHM
CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])c1	ZINC000747213456	1066567470	/nfs/dbraw/zinc/56/74/70/1066567470.db2.gz	FNYPIVVBAJUXMM-UHFFFAOYSA-N	-1	3	498.561	3.483	20	10		JGCDHM
CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])c1	ZINC000747213456	1066567477	/nfs/dbraw/zinc/56/74/77/1066567477.db2.gz	FNYPIVVBAJUXMM-UHFFFAOYSA-N	-1	3	498.561	3.483	20	10		JGCDHM
COc1ccc(N2CC[C@H](CNC(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])C2)cc1	ZINC001299770936	1064968261	/nfs/dbraw/zinc/96/82/61/1064968261.db2.gz	WQVMHCIDRHOEPS-MRXNPFEDSA-N	-1	3	450.495	3.206	20	10		JGCDHM
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC001301350550	1066140593	/nfs/dbraw/zinc/14/05/93/1066140593.db2.gz	OWXLLFTVSBQZKS-UHFFFAOYSA-N	-1	3	456.340	3.182	20	10		JGCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)c1	ZINC001304212339	1067256118	/nfs/dbraw/zinc/25/61/18/1067256118.db2.gz	ISXVOJDSWUHSTM-INIZCTEOSA-N	-1	3	453.358	3.374	20	10		JGCDHM
CN(C)c1ccc([C@@H](CNC(=O)c2cccc(I)c2[O-])N(C)C)cc1	ZINC001304767371	1067857817	/nfs/dbraw/zinc/85/78/17/1067857817.db2.gz	FDOUDKYOOGSIMU-QGZVFWFLSA-N	-1	3	453.324	3.096	20	10		JGCDHM
COc1ccc(N2CC[C@@H](CNC(=O)c3cc(NC(=O)c4cnoc4C)ccc3[O-])C2)cc1	ZINC001299770935	1064968371	/nfs/dbraw/zinc/96/83/71/1064968371.db2.gz	WQVMHCIDRHOEPS-INIZCTEOSA-N	-1	3	450.495	3.206	20	10		JGCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)c1	ZINC001304212340	1067256151	/nfs/dbraw/zinc/25/61/51/1067256151.db2.gz	ISXVOJDSWUHSTM-MRXNPFEDSA-N	-1	3	453.358	3.374	20	10		JGCDHM
CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])CC1	ZINC000746399332	1065310631	/nfs/dbraw/zinc/31/06/31/1065310631.db2.gz	DKJRTQYXWJWDIJ-UHFFFAOYSA-N	-1	3	476.555	3.048	20	10		JGCDHM
CC(C)(C)[N@H+]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])CC1	ZINC000746399332	1065310639	/nfs/dbraw/zinc/31/06/39/1065310639.db2.gz	DKJRTQYXWJWDIJ-UHFFFAOYSA-N	-1	3	476.555	3.048	20	10		JGCDHM
CN(C)c1ccc([C@H](CNC(=O)c2cccc(I)c2[O-])N(C)C)cc1	ZINC001304767370	1067857700	/nfs/dbraw/zinc/85/77/00/1067857700.db2.gz	FDOUDKYOOGSIMU-KRWDZBQOSA-N	-1	3	453.324	3.096	20	10		JGCDHM
O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCc1c([O-])cccc1F	ZINC001303879300	1068515220	/nfs/dbraw/zinc/51/52/20/1068515220.db2.gz	WUIAXFBYRYFEOT-UHFFFAOYSA-N	-1	3	454.829	3.188	20	10		JGCDHM
O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)NCc1c([O-])cccc1F	ZINC001303878985	1068514288	/nfs/dbraw/zinc/51/42/88/1068514288.db2.gz	SWQCFLJNDVNANS-UHFFFAOYSA-N	-1	3	454.277	3.455	20	10		JGCDHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NCC(=O)NCc3ccccc3O)c([N+](=O)[O-])c2)c(C)c1	ZINC000748347170	1068067828	/nfs/dbraw/zinc/06/78/28/1068067828.db2.gz	XVKZVIIAEYNOQC-UHFFFAOYSA-N	-1	3	484.534	3.446	20	10		JGCDHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)c1	ZINC001300931561	1065731547	/nfs/dbraw/zinc/73/15/47/1065731547.db2.gz	ASILELZTFHXAGC-UHFFFAOYSA-N	-1	3	453.358	3.279	20	10		JGCDHM