smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(S(=O)(=O)F)nn1)CC2 ZINC001164753733 720963867 /nfs/dbraw/zinc/96/38/67/720963867.db2.gz JEXSGTGTBBTFPK-UHFFFAOYSA-N 1 0 398.420 -0.023 20 70 GBIDRO