smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1ccc2c(o1)c([O-])c1occc1c2[N+](=O)[O-] ZINC000064560469 183000750 /nfs/dbraw/zinc/00/07/50/183000750.db2.gz JEAWWKQBMKUUAL-UHFFFAOYSA-N -1 0 247.162 2.153 1 5 BEBFRM Cc1oc2c(cccc2[N+](=O)[O-])c1C(=O)[O-] ZINC000169337802 180532495 /nfs/dbraw/zinc/53/24/95/180532495.db2.gz OSSXNDBHRJUVJR-UHFFFAOYSA-N -1 0 221.168 2.348 1 5 BEBFRM Cc1cccc2cc3c(=O)[n-]c(=S)nc-3[nH]c12 ZINC000103201629 179228605 /nfs/dbraw/zinc/22/86/05/179228605.db2.gz IQYJMDXDPBRMSY-UHFFFAOYSA-N -1 0 243.291 2.442 1 5 BEBFRM