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]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000000627668	562918844	/nfs/dbraw/zinc/91/88/44/562918844.db2.gz	VEBSCRVMSVWHTE-KBPBESRZSA-N	-1	0	433.291	4.851	20	0		IJADRM
O=C([O-])c1ccc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)s1	ZINC000725241023	557133035	/nfs/dbraw/zinc/13/30/35/557133035.db2.gz	SDSMATBPVWQFLN-UHFFFAOYSA-N	-1	0	448.544	4.513	20	0		IJADRM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000000627665	562918869	/nfs/dbraw/zinc/91/88/69/562918869.db2.gz	VEBSCRVMSVWHTE-ZIAGYGMSSA-N	-1	0	433.291	4.851	20	0		IJADRM
O=C([O-])[C@@H](CCC(=O)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000227241462	569178331	/nfs/dbraw/zinc/17/83/31/569178331.db2.gz	VFSJWOBCUAXILF-HSZRJFAPSA-N	-1	0	429.472	4.641	20	0		IJADRM
CSCC[C@H]1SC[C@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240813	557130755	/nfs/dbraw/zinc/13/07/55/557130755.db2.gz	GCNCINDDRNQTGX-WOJBJXKFSA-N	-1	0	429.563	4.517	20	0		IJADRM
O=S(=O)([N-]c1cccc2cccnc21)c1cc(Br)c(Br)s1	ZINC000028871522	563067552	/nfs/dbraw/zinc/06/75/52/563067552.db2.gz	JPMMCDFKDCCWDV-UHFFFAOYSA-N	-1	0	448.161	4.622	20	0		IJADRM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000000627671	562918837	/nfs/dbraw/zinc/91/88/37/562918837.db2.gz	VEBSCRVMSVWHTE-KGLIPLIRSA-N	-1	0	433.291	4.851	20	0		IJADRM
CSCC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240810	557130855	/nfs/dbraw/zinc/13/08/55/557130855.db2.gz	GCNCINDDRNQTGX-PMACEKPBSA-N	-1	0	429.563	4.517	20	0		IJADRM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000000627661	562918854	/nfs/dbraw/zinc/91/88/54/562918854.db2.gz	VEBSCRVMSVWHTE-UONOGXRCSA-N	-1	0	433.291	4.851	20	0		IJADRM
O=C([O-])[C@H](CCC(=O)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000227241468	569178288	/nfs/dbraw/zinc/17/82/88/569178288.db2.gz	VFSJWOBCUAXILF-QHCPKHFHSA-N	-1	0	429.472	4.641	20	0		IJADRM
CSCC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240811	557130781	/nfs/dbraw/zinc/13/07/81/557130781.db2.gz	GCNCINDDRNQTGX-UXHICEINSA-N	-1	0	429.563	4.517	20	0		IJADRM
CSCC[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240812	557130795	/nfs/dbraw/zinc/13/07/95/557130795.db2.gz	GCNCINDDRNQTGX-VQTJNVASSA-N	-1	0	429.563	4.517	20	0		IJADRM
Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1CSc1ccc(OCC(=O)[O-])c(C)c1	ZINC000034630885	563086589	/nfs/dbraw/zinc/08/65/89/563086589.db2.gz	XJHXZGHPCAKRFK-UHFFFAOYSA-N	-1	0	437.443	4.659	20	0	investigational	IJADRM
O=C(Nc1nc2ccccc2s1)c1cc(Br)cc(Br)c1[O-]	ZINC000028245146	563052131	/nfs/dbraw/zinc/05/21/31/563052131.db2.gz	STMZAZBCYDUTSD-UHFFFAOYSA-N	-1	0	428.105	4.779	20	0		IJADRM
O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(Br)cc1OC(F)(F)F	ZINC000008674513	562961442	/nfs/dbraw/zinc/96/14/42/562961442.db2.gz	VCWOPMXOSRVSQT-UHFFFAOYSA-N	-1	0	447.232	4.697	20	0		IJADRM