smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC1=C(C2=C(OC)C(=O)c3cc4c(c([O-])c3C2=O)C(=O)O[C@H](C)C4)C(=O)c2c([O-])c3c(cc2C1=O)C[C@@H](C)OC3=O	ZINC000014252762	553506428	/nfs/dbraw/zinc/50/64/28/553506428.db2.gz	WICHONPZVIYWIJ-NXEZZACHSA-N	-2	3	574.494	2.560	40	30		KFEBHL
COC1=C(C2=C(OC)C(=O)c3cc4c(c([O-])c3C2=O)C(=O)O[C@@H](C)C4)C(=O)c2c([O-])c3c(cc2C1=O)C[C@@H](C)OC3=O	ZINC000086004239	553692893	/nfs/dbraw/zinc/69/28/93/553692893.db2.gz	WICHONPZVIYWIJ-AOOOYVTPSA-N	-2	3	574.494	2.560	40	30		KFEBHL
COC1=C(C2=C(OC)C(=O)c3cc4c(c([O-])c3C2=O)C(=O)O[C@@H](C)C4)C(=O)c2c([O-])c3c(cc2C1=O)C[C@H](C)OC3=O	ZINC000086004241	553692878	/nfs/dbraw/zinc/69/28/78/553692878.db2.gz	WICHONPZVIYWIJ-UWVGGRQHSA-N	-2	3	574.494	2.560	40	30		KFEBHL
O=C1[N-]C(=O)c2cc(-c3ccc(C=Nn4cnnc4N=NCc4ccc(-c5ccc6c(c5)C(=O)[N-]C6=O)o4)o3)ccc21	ZINC000100437977	554393064	/nfs/dbraw/zinc/39/30/64/554393064.db2.gz	TXGNFFOFXVNDSH-UWVGOQAPSA-N	-2	3	560.486	2.894	40	30		KFEBHL