smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cc(Oc2c(Br)cc(CCC(=O)[O-])cc2Br)cc(/C=C/c2ccncc2)c1O ZINC000014969126 561750604 /nfs/dbraw/zinc/75/06/04/561750604.db2.gz JFQSWHAFVANRQE-HWKANZROSA-N -1 0 561.270 7.416 30 0 KKACRM