smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cn(-c2ccc([N+](=O)[O-])cc2)c2cc(N3CCNCC3)c(F)cc2c1=O ZINC000001914408 132248517 /nfs/dbraw/zinc/24/85/17/132248517.db2.gz IALRJWRVDOXAQY-UHFFFAOYSA-N -1 3 412.377 2.146 10 5 HEBEHM Cc1cc([N+](=O)[O-])nn1CC(=O)[N-]n1c(=O)c2ccccc2nc1-c1cccs1 ZINC000008660831 571098554 /nfs/dbraw/zinc/09/85/54/571098554.db2.gz WMSJPSJVHWDPJR-UHFFFAOYSA-N -1 3 410.415 2.308 10 5 HEBEHM