smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)C1=CC(=O)C(=NNc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)C=C1	ZINC000100795794	569770279	/nfs/dbraw/zinc/77/02/79/569770279.db2.gz	MXOHFNOCOCYZDR-LTGZKZEYSA-N	-2	2	495.535	2.171	40	30		JEEBLL
N#CCCN(CCC#N)c1ccc(C[C@H]2C(=O)N(c3cccc(S(=O)(=O)[O-])c3)N=C2C(=O)[O-])cc1	ZINC000104107660	569841024	/nfs/dbraw/zinc/84/10/24/569841024.db2.gz	BSNQXVUXXFQUET-HXUWFJFHSA-N	-2	2	495.517	2.213	40	30		JEEBLL
N#CCCN(CCC#N)c1ccc(C[C@@H]2C(=O)N(c3cccc(S(=O)(=O)[O-])c3)N=C2C(=O)[O-])cc1	ZINC000008627762	526455956	/nfs/dbraw/zinc/45/59/56/526455956.db2.gz	BSNQXVUXXFQUET-FQEVSTJZSA-N	-2	2	495.517	2.213	40	30		JEEBLL
CCN(CC)C1=CC(=O)C(=NNc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c32)C=C1	ZINC000100795792	569770241	/nfs/dbraw/zinc/77/02/41/569770241.db2.gz	MXOHFNOCOCYZDR-PGMHBOJBSA-N	-2	2	495.535	2.171	40	30		JEEBLL