smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(C)=NNC(=O)C[N+](C)(C)C)cc1CN1CCCCC1 ZINC000916270460 717192717 /nfs/dbraw/zinc/19/27/17/717192717.db2.gz HGGQRFWMMXNPTB-UHFFFAOYSA-O 1 3 361.510 2.228 20 50 FEGDHO