smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000225245534 352247008 /nfs/dbraw/zinc/24/70/08/352247008.db2.gz JEMDVIJDRSPHOS-UHFFFAOYSA-N 2 2 294.315 -0.054 40 5 CBBBLP [NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CC[NH+](CCO)CC1 ZINC000225238745 352247067 /nfs/dbraw/zinc/24/70/67/352247067.db2.gz RBSPMHRVMFANAW-UHFFFAOYSA-N 2 2 294.315 -0.054 40 5 CBBBLP