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+](C)(C)CC(=O)NN=Cc1c2ccccc2n(-c2ccccc2)c1-c1ccccc1 ZINC000916270410 717192697 /nfs/dbraw/zinc/19/26/97/717192697.db2.gz DQYVNIFABQGHIQ-UHFFFAOYSA-O 1 0 411.529 4.454 20 50 HIGDRO