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=C1CCCCCCCCCCC1 ZINC000916270658 717192966 /nfs/dbraw/zinc/19/29/66/717192966.db2.gz NHQAZBBFCKFCJO-UHFFFAOYSA-O 1 0 296.479 3.470 20 50 CGGDRO