smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc1N1N=C(C(=O)[O-])CC1=O	ZINC000004016142	530072739	/nfs/dbraw/zinc/07/27/39/530072739.db2.gz	SEYODHVKSAPCBO-UHFFFAOYSA-N	-3	0	378.340	-0.334	50	10		GBCARL
O=C([O-])CNC(=O)CNC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000020389602	207189503	/nfs/dbraw/zinc/18/95/03/207189503.db2.gz	HDGRZMCQEHZYIV-BJMVGYQFSA-N	-2	0	380.744	-0.403	50	10		GBCARL
Cc1ccc(N2C(=O)C(=CNCC(=O)NCC(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000020393525	221485927	/nfs/dbraw/zinc/48/59/27/221485927.db2.gz	VJUVVPPVGSJWAV-IZZDOVSWSA-N	-2	0	376.394	-0.583	50	10		GBCARL
Nc1ccc(C[C@@H](CN(CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-])cc1	ZINC000025757832	570418838	/nfs/dbraw/zinc/41/88/38/570418838.db2.gz	RPBJIOJIMOUOIN-ZDUSSCGKSA-N	-3	0	397.384	-0.878	50	10		GBCARL
Nc1ccc(C[C@H](CN(CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-])cc1	ZINC000025757836	570418827	/nfs/dbraw/zinc/41/88/27/570418827.db2.gz	RPBJIOJIMOUOIN-CYBMUJFWSA-N	-3	0	397.384	-0.878	50	10		GBCARL