smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000059315955	195397644	/nfs/dbraw/zinc/39/76/44/195397644.db2.gz	OJPAXUDQRUUIKJ-PDGQHHTCSA-N	-2	0	451.891	3.660	10	10		JHCERL
O=C([O-])c1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1	ZINC000059315960	195397592	/nfs/dbraw/zinc/39/75/92/195397592.db2.gz	LGOKCPVJFFWIGN-PDGQHHTCSA-N	-2	0	496.342	3.769	10	10		JHCERL
O=C1C=C(S(=O)(=O)[O-])C(Cl)=CC1=NNc1ccc2c(cccc2S(=O)(=O)[O-])c1O	ZINC000012405043	527261573	/nfs/dbraw/zinc/26/15/73/527261573.db2.gz	AYHLSSSEVIQUHA-HNENSFHCSA-N	-2	0	458.857	3.813	10	10		JHCERL
O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(Br)cc4)C3=O)o2)c1	ZINC000002920209	526387129	/nfs/dbraw/zinc/38/71/29/526387129.db2.gz	PDUGQOOAQRDTFD-GZTJUZNOSA-N	-2	0	453.248	3.869	10	10		JHCERL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000033351549	524391865	/nfs/dbraw/zinc/39/18/65/524391865.db2.gz	UEDHMTNQCCDQTG-MLPAPPSSSA-N	-2	0	465.245	3.972	10	10		JHCERL