smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000409075142 570119704 /nfs/dbraw/zinc/11/97/04/570119704.db2.gz VGFMNGKAXIXTKZ-WOJGMQOQSA-N -1 2 494.456 2.340 40 30 JEEBLM C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000409066589 570116630 /nfs/dbraw/zinc/11/66/30/570116630.db2.gz LQWHCPIYRMFQTN-LICLKQGHSA-N -1 2 481.417 2.462 40 30 JEEBLM C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000409070311 570118023 /nfs/dbraw/zinc/11/80/23/570118023.db2.gz NXOUYHBNBASOKI-RQZCQDPDSA-N -1 2 481.417 2.462 40 30 JEEBLM C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000409069711 570117810 /nfs/dbraw/zinc/11/78/10/570117810.db2.gz VMQARIBERCXMGJ-LICLKQGHSA-N -1 2 452.419 2.259 40 30 JEEBLM