smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@@H](Oc2ccc3c([O-])c(NC(=O)c4ccc([O-])c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C ZINC000161238746 562849142 /nfs/dbraw/zinc/84/91/42/562849142.db2.gz FJAQNRBDVKIIKK-HFWHKAEWSA-N -2 3 697.137 5.370 3 70 KKIFHL