smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(c1ccc(OC[C@@H](O)C[N+](C)(C)N)cc1)c1ccc(OC[C@@H](O)C[N+](C)(C)N)cc1 ZINC000023115467 519379593 /nfs/dbraw/zinc/37/95/93/519379593.db2.gz DIUVSTYVBVKWSX-VXKWHMMOSA-N 2 3 462.635 1.392 50 5 JDBAHP CC(C)(c1ccc(OC[C@H](O)C[N+](C)(C)N)cc1)c1ccc(OC[C@@H](O)C[N+](C)(C)N)cc1 ZINC000023115469 556011828 /nfs/dbraw/zinc/01/18/28/556011828.db2.gz DIUVSTYVBVKWSX-SZPZYZBQSA-N 2 3 462.635 1.392 50 5 JDBAHP CC(C)(c1ccc(OC[C@H](O)C[N+](C)(C)N)cc1)c1ccc(OC[C@H](O)C[N+](C)(C)N)cc1 ZINC000023115470 556011939 /nfs/dbraw/zinc/01/19/39/556011939.db2.gz DIUVSTYVBVKWSX-FGZHOGPDSA-N 2 3 462.635 1.392 50 5 JDBAHP