smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=O)cc(CN(C)CC(=O)[O-])c1[O-]	ZINC000039193028	388850778	/nfs/dbraw/zinc/85/07/78/388850778.db2.gz	QQAGJDIVMQHQKW-UHFFFAOYSA-N	-2	3	253.254	0.730	40	10		CCCBHL
O=C([O-])[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21	ZINC000003782944	304098299	/nfs/dbraw/zinc/09/82/99/304098299.db2.gz	JFJWMFPFMLRLMI-GSVOUGTGSA-N	-3	3	292.199	0.664	40	10	biogenic,in-vitro	CCCBHL
O=C([O-])c1cc2cc([O-])c(O)c([O-])c2c(=O)c(O)c1	ZINC000001702059	304229167	/nfs/dbraw/zinc/22/91/67/304229167.db2.gz	PJSKCCANFAFYHW-UHFFFAOYSA-N	-3	3	264.189	0.721	40	10	in-vitro	CCCBHL
CC(C)N1C(=O)c2cc([O-])ccc2[N-]S1(=O)=O	ZINC000005760365	388763848	/nfs/dbraw/zinc/76/38/48/388763848.db2.gz	PVKWIOBXPPFARA-UHFFFAOYSA-N	-2	3	256.283	0.913	40	10	in-vitro	CCCBHL