smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@H]1[C@@H]2CN(Cc3ccccc3C(F)(F)F)C[C@H]12 ZINC000217929880 382788438 /nfs/dbraw/zinc/78/84/38/382788438.db2.gz VELJQCBJUDVPHK-ZSOGYDGISA-N 1 3 298.352 2.945 50 70 CFIAHO