smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](O)[C@]1(O)Cc2c(O)c3c(c([O-])c2[C@@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O ZINC000060184044 563209419 /nfs/dbraw/zinc/20/94/19/563209419.db2.gz KMIBSUUWQWSRQV-BAYOIBAISA-N 0 3 499.516 0.812 10 10 JCCEHN