smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1ccc(N2CCN(Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)cc1	ZINC000096902099	136187591	/nfs/dbraw/zinc/18/75/91/136187591.db2.gz	WILKJMGSGCGPRK-UHFFFAOYSA-N	-1	1	392.455	3.332	1	10		GGCFMM
CC[C@@H](C)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c([O-])cccc1C3=O	ZINC000003978898	560192898	/nfs/dbraw/zinc/19/28/98/560192898.db2.gz	HXAZTNIVBVVFJS-SNVBAGLBSA-N	-1	1	378.380	3.280	1	10	in-vitro	GGCFMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(O)c(O)c1	ZINC000043073962	205081656	/nfs/dbraw/zinc/08/16/56/205081656.db2.gz	YMBPGRMJUFGZHN-UHFFFAOYSA-N	-1	1	384.413	3.151	1	10		GGCFMM
CCc1ccc2c([O-])c3c(cc2c1C(=O)OC)C(=O)c1c(O)ccc(O)c1C3=O	ZINC000004165473	206260681	/nfs/dbraw/zinc/26/06/81/206260681.db2.gz	DIAOGWYBBJCPAD-UHFFFAOYSA-N	-1	1	392.363	3.081	3	10	in-vitro	GGCFMM
COc1cc(C(C)=O)cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)c1[O-]	ZINC000066074091	136164300	/nfs/dbraw/zinc/16/43/00/136164300.db2.gz	RRXYLJQPSNGXFU-UHFFFAOYSA-N	-1	1	382.460	3.128	1	10		GGCFMM
CC(=O)c1ccc(N2CCN(Cc3c([O-])ccc4ccc(=O)oc43)CC2)cc1	ZINC000029063954	221689462	/nfs/dbraw/zinc/68/94/62/221689462.db2.gz	JRHZZJAZMHONLN-UHFFFAOYSA-N	-1	1	378.428	3.023	1	10		GGCFMM