smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2ccc(Cl)cc2[nH]c([O-])c1-c1cccc(Oc2ccccc2NCCS(=O)(=O)F)c1 ZINC000036294541 563125476 /nfs/dbraw/zinc/12/54/76/563125476.db2.gz RFXVWSJEAZEHDH-UHFFFAOYSA-N -1 1 488.924 5.470 1 70 JKIFMM