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)(C)C(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(Br)c2)c(=O)n1C[C@H]1CCCO1 ZINC000514298226 1059219276 /nfs/dbraw/zinc/21/92/76/1059219276.db2.gz XKGMJXIABUAZCI-CYBMUJFWSA-N 0 2 570.303 3.438 20 30 KGEDLN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(Br)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000514298227 1059219202 /nfs/dbraw/zinc/21/92/02/1059219202.db2.gz XKGMJXIABUAZCI-ZDUSSCGKSA-N 0 2 570.303 3.438 20 30 KGEDLN