smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nc([N+](=O)[O-])nc1N1CC[NH+](C)CC1 ZINC000006995544 173095877 /nfs/dbraw/zinc/09/58/77/173095877.db2.gz FBABPKLVSVXQBT-UHFFFAOYSA-N 1 1 226.240 -0.525 3 5 BBBFMO