smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc2c(cc1N1CCNCC1)ncnc2NCCc1ccc(Cl)cc1 ZINC000003994909 132269556 /nfs/dbraw/zinc/26/95/56/132269556.db2.gz AZIYFYFVCLBQGM-UHFFFAOYSA-N 0 3 412.881 3.256 1 5 HGBFHN CN(Cc1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1)Cc1ccccc1 ZINC000036338512 581099863 /nfs/dbraw/zinc/09/98/63/581099863.db2.gz OOIMGNLMHOCHOG-UHFFFAOYSA-N 0 3 405.414 3.372 1 5 HGBFHN