smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COS(=O)(=O)[N-]C(=O)CCCCCCNC(=O)[N-]S(C)(=O)=O	ZINC000045336092	208331926	/nfs/dbraw/zinc/33/19/26/208331926.db2.gz	CWBIPAGOYCZWNP-UHFFFAOYSA-N	-2	1	359.426	0.248	1	30		FCEFML
COS(=O)(=O)[N-]C(=O)CCCCCCNC([O-])=NS(C)(=O)=O	ZINC000045336092	208331932	/nfs/dbraw/zinc/33/19/32/208331932.db2.gz	CWBIPAGOYCZWNP-UHFFFAOYSA-N	-2	1	359.426	0.248	1	30		FCEFML
O=C([O-])C(=O)C=C([O-])c1ccc2ncc(C(=O)C=C(O)C(=O)[O-])c([O-])c2c1	ZINC000103220539	222326656	/nfs/dbraw/zinc/32/66/56/222326656.db2.gz	APIOKBMGYJFPOL-JWZUQALGSA-N	-4	1	373.273	0.947	1	30		FCEFML
C=CCNc1nc(N)nc2c1ncn2C[C@@H](CF)OCP(=O)([O-])[O-]	ZINC000071329446	210064111	/nfs/dbraw/zinc/06/41/11/210064111.db2.gz	CNCWSZLZMUZNIC-MRVPVSSYSA-N	-2	1	360.286	0.496	1	30		FCEFML