smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2nc(N=NCc3cc(I)ccc3O)nc(Nc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000253684871 562882851 /nfs/dbraw/zinc/88/28/51/562882851.db2.gz RPBJMJLBJAAJOW-UHFFFAOYSA-N 1 1 575.371 3.031 10 30 KGEEMO