smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)CC1 ZINC000217477435 569880086 /nfs/dbraw/zinc/88/00/86/569880086.db2.gz WFOFORPOTPCAOD-IZAXUBKRSA-N -1 1 493.556 5.402 40 70 JKIBMM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)CC1 ZINC000217477435 569880087 /nfs/dbraw/zinc/88/00/87/569880087.db2.gz WFOFORPOTPCAOD-IZAXUBKRSA-N -1 1 493.556 5.402 40 70 JKIBMM