smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[N@H+]1CCc2cc([N+](=O)[O-])ccc2C1 ZINC000218744644 353150729 /nfs/dbraw/zinc/15/07/29/353150729.db2.gz IEMNONPCVACGBV-UHFFFAOYSA-N 1 1 234.299 2.609 40 5 BFBBMO