smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C(=O)[O-])c(C#N)c(Oc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)n1	ZINC000096271594	563196751	/nfs/dbraw/zinc/19/67/51/563196751.db2.gz	UDLFDWBCKIFPPV-UHFFFAOYSA-N	-2	1	443.868	4.206	1	30		IIEFML
C[C@H](CNC(=O)c1cc(Br)ccc1[O-])/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000049067749	563137376	/nfs/dbraw/zinc/13/73/76/563137376.db2.gz	BDUTXTBOVHWNKN-KPCMJMSPSA-N	-2	1	446.128	4.405	1	30		IIEFML
C[C@@H](CNC(=O)c1cc(Br)ccc1[O-])/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000049067747	563137350	/nfs/dbraw/zinc/13/73/50/563137350.db2.gz	BDUTXTBOVHWNKN-MXVVBNHJSA-N	-2	1	446.128	4.405	1	30		IIEFML
CCCC(=O)C1=C([O-])C(C)(C)C(=O)C(CC2=C([O-])C(C)(C)C([O-])=C(C(=O)CC)C2=O)C1=O	ZINC000103547062	291381067	/nfs/dbraw/zinc/38/10/67/291381067.db2.gz	FMNRNKYPJCPOQN-UHFFFAOYSA-N	-3	1	446.496	4.191	1	30	biogenic,in-vitro	IIEFML
CCCC([O-])=C1C(=O)C(CC2=C([O-])C(C)(C)C([O-])=C(C(=O)CC)C2=O)C(=O)C(C)(C)C1=O	ZINC000103547062	291381070	/nfs/dbraw/zinc/38/10/70/291381070.db2.gz	FMNRNKYPJCPOQN-UHFFFAOYSA-N	-3	1	446.496	4.191	1	30	biogenic,in-vitro	IIEFML