smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1([O-])CCN(C2=Nc3ccccc3/C(=C\C#N)c3ccccc32)CC1 ZINC000040375235 717127492 /nfs/dbraw/zinc/12/74/92/717127492.db2.gz XTTPTEPNEVFTIQ-YVLHZVERSA-N 0 0 344.418 3.294 1 50 EGGFRN C[N+]1([O-])CCN(C2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1 ZINC000040676613 717127290 /nfs/dbraw/zinc/12/72/90/717127290.db2.gz XTTPTEPNEVFTIQ-LICLKQGHSA-N 0 0 344.418 3.294 1 50 EGGFRN