smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(O)c(C[N@@H+](C)Cc2ccccc2Br)n1 ZINC000160379701 432718129 /nfs/dbraw/zinc/71/81/29/432718129.db2.gz UEMWRTOWNYITBK-UHFFFAOYSA-N -1 2 321.218 3.490 20 70 DGIDLM CCc1cc(=O)[nH]c(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000160597755 432730493 /nfs/dbraw/zinc/73/04/93/432730493.db2.gz COJZZZCSKFVEEV-UHFFFAOYSA-N -1 2 313.376 3.173 20 70 DGIDLM