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+]1CCC2(CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000096268560 222107696 /nfs/dbraw/zinc/10/76/96/222107696.db2.gz PGFSKEXTNJTVQP-UHFFFAOYSA-N 1 3 357.376 3.531 40 5 FHBBHO