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]1[C@@H]2C=C[C@H]1[C@@H](C(=O)[O-])[C@@H]2c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc1-2 ZINC000013099307 210050851 /nfs/dbraw/zinc/05/08/51/210050851.db2.gz BSAMRWOMXJWVCE-IVURVGKYSA-N -1 2 394.379 3.251 1 10 GGCFLM