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-])c1ccc(C=NNC(=O)c2ccc([O-])c(Cl)c2)cc1	ZINC000734093492	600466342	/nfs/dbraw/zinc/46/63/42/600466342.db2.gz	JBJWXUAHLIQFCB-UHFFFAOYSA-N	-2	0	318.716	2.508	20	50		DFGDRL
O=C([O-])c1cccc(C=NNC(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000814849567	598201511	/nfs/dbraw/zinc/20/15/11/598201511.db2.gz	ASNSQPLEFVTSSC-UHFFFAOYSA-N	-2	0	318.716	2.508	20	50		DFGDRL
O=C([O-])NNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-]	ZINC000832748423	605525801	/nfs/dbraw/zinc/52/58/01/605525801.db2.gz	KGODMOWLYRQICQ-UHFFFAOYSA-N	-2	0	306.705	2.625	20	50		DFGDRL
O=C([O-])N[N-]C(=O)c1csc(-c2cccc3ccccc32)n1	ZINC000834250974	605428180	/nfs/dbraw/zinc/42/81/80/605428180.db2.gz	KYKFJIKLEBFEOC-UHFFFAOYSA-N	-2	0	313.338	2.876	20	50		DFGDRL
CC(=NNC(=O)[O-])c1cc(Br)cc(Cl)c1[O-]	ZINC000825798449	602179001	/nfs/dbraw/zinc/17/90/01/602179001.db2.gz	JSTZHHRJQGRJFG-UHFFFAOYSA-N	-2	0	307.531	2.800	20	50		DFGDRL
N#C/C(=C\c1cccc(OCc2ccccc2C(=O)[O-])c1)C(=O)[O-]	ZINC000731663952	600029180	/nfs/dbraw/zinc/02/91/80/600029180.db2.gz	JSOKRZNCLJLBAE-RIYZIHGNSA-N	-2	0	323.304	2.955	20	50		DFGDRL
O=C([O-])N[N-]C(=O)c1sc(-c2ccccc2)nc1C(F)F	ZINC000834250478	605623531	/nfs/dbraw/zinc/62/35/31/605623531.db2.gz	HUFWNOCWJIODCV-UHFFFAOYSA-N	-2	0	313.285	2.660	20	50		DFGDRL
O=C([O-])c1ccccc1C=NNC(=O)c1ccc([O-])c(Cl)c1	ZINC000734096435	600466477	/nfs/dbraw/zinc/46/64/77/600466477.db2.gz	OXZYZRIXHYBSHW-UHFFFAOYSA-N	-2	0	318.716	2.508	20	50		DFGDRL
CN(N=Cc1ccc(OCc2occc2C(=O)[O-])cc1)C(=O)[O-]	ZINC000739720907	602624185	/nfs/dbraw/zinc/62/41/85/602624185.db2.gz	MLNSRANURKRPRY-UHFFFAOYSA-N	-2	0	318.285	2.501	20	50		DFGDRL