smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000833747385 605125926 /nfs/dbraw/zinc/12/59/26/605125926.db2.gz XBBZCOVOOMPGAE-UHFFFAOYSA-N -2 2 372.380 2.478 20 5 FEBDLL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])cs1 ZINC000833747433 605152937 /nfs/dbraw/zinc/15/29/37/605152937.db2.gz YGSPGFLJVSEKDR-UHFFFAOYSA-N -2 2 358.353 2.169 20 5 FEBDLL Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000833741673 605127395 /nfs/dbraw/zinc/12/73/95/605127395.db2.gz SZTMUTOLBGEJQC-UHFFFAOYSA-N -2 2 358.353 2.169 20 5 FEBDLL Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000486790562 561356472 /nfs/dbraw/zinc/35/64/72/561356472.db2.gz YROAHMSURWJJGA-UHFFFAOYSA-N -2 2 374.382 2.193 20 5 FEBDLL