smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)c1[nH]nc(-c2cc(Cl)c([O-])cc2O)c1-c1ccc(OC)cc1	ZINC000004617891	581097368	/nfs/dbraw/zinc/09/73/68/581097368.db2.gz	KRRWEDJIVLDJJK-UHFFFAOYSA-N	-2	1	373.796	3.177	1	0		FGAFML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c1	ZINC000006623425	204256878	/nfs/dbraw/zinc/25/68/78/204256878.db2.gz	YEBLBKMRVAXGKY-UHFFFAOYSA-N	-2	1	368.414	3.171	3	0		FGAFML
O=C([O-])c1ccc(COc2cc([O-])cc3oc(=O)c4c(c23)CCC4)cc1	ZINC000064560393	205300595	/nfs/dbraw/zinc/30/05/95/205300595.db2.gz	XLBXITIJRKLVMO-UHFFFAOYSA-N	-2	1	352.342	3.265	1	0		FGAFML
CCOc1c(CC)ccc([N-]S(=O)(=O)c2ccc(F)cc2)c1C(=O)[O-]	ZINC000014965091	211109238	/nfs/dbraw/zinc/10/92/38/211109238.db2.gz	JGGAEBBDBSPMTR-UHFFFAOYSA-N	-2	1	367.398	3.286	1	0		FGAFML
O=[P@]([O-])(O)[C@@H](CCCc1ccc(-c2ccccc2)cc1)S(=O)(=O)[O-]	ZINC000013746356	220092357	/nfs/dbraw/zinc/09/23/57/220092357.db2.gz	XIIYQLCRTNBXRS-MRXNPFEDSA-N	-2	1	370.363	3.068	1	0		FGAFML
O=c1[nH]c2cc(-c3ccc(Cl)cc3)cc(C[P@@](=O)([O-])O)c2[nH]c1=O	ZINC000013440448	220066604	/nfs/dbraw/zinc/06/66/04/220066604.db2.gz	BOHNVYNMBZWQNB-UHFFFAOYSA-N	-2	1	366.697	3.039	1	0		FGAFML