smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[N+]23CN4CN(CN(C4)C2)C3)c(OC)cc1C[N+]12CN3CN(CN(C3)C1)C2 ZINC000019324185 556736605 /nfs/dbraw/zinc/73/66/05/556736605.db2.gz CUNJBCQXHHDBIA-UHFFFAOYSA-N 2 0 444.584 -0.279 10 5 IBBERP