smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c([O-])ccc([C@H]3O[C@H]([C@H](C)O)[C@H](O)[C@H]3O)c12 ZINC000049627036 563203117 /nfs/dbraw/zinc/20/31/17/563203117.db2.gz XCWHINLKQMCRON-JKKZOLLESA-N -1 3 494.496 3.008 10 5 JGBEHM