smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(OCCCl)N1CCc2nc(Cl)nc(N3CCN(CCOc4ccccc4)CC3)c2C1 ZINC001165044267 721954515 /nfs/dbraw/zinc/95/45/15/721954515.db2.gz KTCQRBXWLRXZGY-UHFFFAOYSA-N 0 0 480.396 3.065 20 50 JGGDRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)CC2 ZINC001164649138 719309242 /nfs/dbraw/zinc/30/92/42/719309242.db2.gz UOIRAAAEISLOHK-UHFFFAOYSA-N 0 0 496.443 3.265 20 50 JGGDRN