smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CC(=O)c1cccc([N+](=O)[O-])c1 34924551 169177127 /nfs/dbraw/zinc/17/71/27/169177127.db2.gz NXCCDPOCDBAGFX-UHFFFAOYSA-N 1 1 180.163 0.736 50 5 ACBAMO [NH3+]CC(=O)c1ccc([N+](=O)[O-])cc1 34758481 169177143 /nfs/dbraw/zinc/17/71/43/169177143.db2.gz QGMHMZOHCYYHBA-UHFFFAOYSA-N 1 1 180.163 0.736 50 5 in-vitro ACBAMO [NH3+]CCc1ccc(O)c([N+](=O)[O-])c1 2561249 169197604 /nfs/dbraw/zinc/19/76/04/169197604.db2.gz IUCYCHQMRZWPGT-UHFFFAOYSA-N 1 1 182.179 0.802 50 5 in-vitro ACBAMO Cc1[nH+]c(NN)ccc1[N+](=O)[O-] 6235735 343012966 /nfs/dbraw/zinc/01/29/66/343012966.db2.gz SLPQJEVYFLMMCZ-UHFFFAOYSA-N 1 1 168.156 0.584 50 5 ACBAMO