smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(N=c2nc[n-]c(NN3CCN(C)CC3)c2[N+](=O)[O-])CC1 ZINC000040623439 208258071 /nfs/dbraw/zinc/25/80/71/208258071.db2.gz SETRXSDBIVBCDM-UHFFFAOYSA-N -1 3 351.415 -0.467 10 5 FBBEHM