smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CN(CC(=O)[O-])c1cc2c(-c3ccccc3C(=O)[O-])c3cc(N(CC(=O)[O-])CC(=O)[O-])c(O)cc3oc-2cc1=O ZINC000104821905 571386539 /nfs/dbraw/zinc/38/65/39/571386539.db2.gz ABSAVGCUJSXOLM-UHFFFAOYSA-N -5 1 594.485 1.920 40 5 KDBBML