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[C@H](C=CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000004629841	560198800	/nfs/dbraw/zinc/19/88/00/560198800.db2.gz	WHGVLEMQINVDLH-XDSMRRFISA-N	-3	1	216.145	-0.628	10	30	in-vitro	BBEEML
O=C([O-])C[C@@H](C=CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000013526749	560218663	/nfs/dbraw/zinc/21/86/63/560218663.db2.gz	WHGVLEMQINVDLH-HYLWAGPFSA-N	-3	1	216.145	-0.628	10	30	in-vitro	BBEEML
CC(=CC(=O)C=C(O)C(=O)[O-])C(=O)[O-]	ZINC000013542625	560219272	/nfs/dbraw/zinc/21/92/72/560219272.db2.gz	FLEYITPUELIUDL-RQOWECAXSA-N	-2	1	200.146	-0.370	10	30	in-vitro	BBEEML
O=C([O-])C[C@H](C=CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000013542957	560219355	/nfs/dbraw/zinc/21/93/55/560219355.db2.gz	WHGVLEMQINVDLH-QPHDTYRISA-N	-3	1	216.145	-0.628	10	30	in-vitro	BBEEML
N#Cc1cn(CC(=O)[O-])c(=S)[n-]c1=O	ZINC000062721251	181161833	/nfs/dbraw/zinc/16/18/33/181161833.db2.gz	WOAFJUAIMMNPAT-UHFFFAOYSA-N	-2	1	211.202	-0.138	10	30		BBEEML