smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2ccc(N=Nc3c(O)ccc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c43)c(OC)c2)ccc1N=Nc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000150349245	571461484	/nfs/dbraw/zinc/46/14/84/571461484.db2.gz	ZLTQWYRZPUULAJ-VJETXLNASA-N	-2	1	818.864	8.630	10	10		KKCEML
O=C1C=CC(=NNc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(N=Nc4ccc([N+](=O)[O-])cc4)c(O)c32)C([O-])=C1N=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000232321347	572187738	/nfs/dbraw/zinc/18/77/38/572187738.db2.gz	LGXQDISFLSBKEI-PKDJZJALSA-N	-3	1	754.628	7.218	10	10		KKCEML
Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c(O)c6ccc(S(=O)(=O)[O-])cc6cc5S(=O)(=O)[O-])cc4C)c(C)c3)cc2)cc1	ZINC000095669633	553706787	/nfs/dbraw/zinc/70/67/87/553706787.db2.gz	YSHSHWHUIBZXKJ-VJETXLNASA-N	-2	1	786.866	9.230	10	10		KKCEML