smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(cc1C2=O)[C@H](O)[C@@H](O)c1cc(C)c(C(=O)N[C@@H](C)C(=O)[O-])c([O-])c1-3	ZINC000004097265	560194495	/nfs/dbraw/zinc/19/44/95/560194495.db2.gz	MXDWXJYFRRURMW-LBULQGQXSA-N	-2	0	549.488	1.846	10	10	in-vitro	KDCERL
COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(cc1C2=O)[C@H](O)[C@@H](O)c1cc(C)c(C(=O)N[C@H](C)C(=O)[O-])c([O-])c1-3	ZINC000004097266	560194481	/nfs/dbraw/zinc/19/44/81/560194481.db2.gz	MXDWXJYFRRURMW-ILWJZNQRSA-N	-2	0	549.488	1.846	10	10	in-vitro	KDCERL
COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(c(OC)c1C2=O)[C@H](O)[C@@H](O)c1cc(C)c(C(=O)N[C@@H](C)C(=O)[O-])c([O-])c1-3	ZINC000004097273	560194593	/nfs/dbraw/zinc/19/45/93/560194593.db2.gz	GRWBRZRHHYOYGA-LCKWIEKFSA-N	-2	0	579.514	1.855	10	10	in-vitro	KDCERL
COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(c(OC)c1C2=O)[C@H](O)[C@@H](O)c1cc(C)c(C(=O)N[C@H](C)C(=O)[O-])c([O-])c1-3	ZINC000004097274	560194586	/nfs/dbraw/zinc/19/45/86/560194586.db2.gz	GRWBRZRHHYOYGA-BUBWQFJDSA-N	-2	0	579.514	1.855	10	10	in-vitro	KDCERL
CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)[O-])c2C(=O)[O-])C3=O)c1	ZINC000061389537	562702862	/nfs/dbraw/zinc/70/28/62/562702862.db2.gz	IHLWXZNPOVMUFQ-UHFFFAOYSA-N	-2	0	537.433	1.732	10	10	biogenic,in-vitro	KDCERL
[NH3+][C@H](Cc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)[O-])c2C(=O)[O-])C3=O)c1)C(=O)[O-]	ZINC000085994783	291727148	/nfs/dbraw/zinc/72/71/48/291727148.db2.gz	VRXULZFQCGXCRV-SECBINFHSA-N	-2	0	539.405	1.008	10	10	biogenic,in-vitro	KDCERL
Cc1nc(N=Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])c(CC[P@@](=O)([O-])O)c(C=O)c1[O-]	ZINC000098052502	554175777	/nfs/dbraw/zinc/17/57/77/554175777.db2.gz	OBOGPAAMELCERR-ISLYRVAYSA-N	-4	0	509.411	1.537	10	10	in-vitro	KDCERL