smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)N1c2nc([N+](=O)[O-])ccc2OC(C)(C)C1=O ZINC000382694485 337111574 /nfs/dbraw/zinc/11/15/74/337111574.db2.gz KDXAIEPTAIACOJ-UHFFFAOYSA-N 0 0 323.305 2.429 30 5 DEBCRN Cc1nc2cc(C)c([N+](=O)[O-])cn2c1-c1csc(=NN)[nH]1 ZINC000004244080 282049232 /nfs/dbraw/zinc/04/92/32/282049232.db2.gz UIRDIUMKZRVENE-UHFFFAOYSA-N 0 0 304.335 2.268 30 5 DEBCRN