smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c([O-])ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000107700535 488518066 /nfs/dbraw/zinc/51/80/66/488518066.db2.gz WSARKHZLRSKFKG-DUXPYHPUSA-N -2 3 350.243 0.764 40 5 FCBBHL O=c1nc(C=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c([N+](=O)[O-])c([O-])[n-]1 ZINC000105433610 488509685 /nfs/dbraw/zinc/50/96/85/488509685.db2.gz DLGDSYKXOPUFPP-OWOJBTEDSA-N -3 3 365.214 0.664 40 5 FCBBHL