smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc(Br)cc2)n1 ZINC000160525586 455469499 /nfs/dbraw/zinc/46/94/99/455469499.db2.gz UCZIMZQGPAUGCD-UHFFFAOYSA-N -1 2 336.233 3.139 20 70 EGIDLM CCc1ncsc1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000160307129 455446003 /nfs/dbraw/zinc/44/60/03/455446003.db2.gz KGNPFDNSJJAEHT-UHFFFAOYSA-N -1 2 333.804 3.396 20 70 EGIDLM