smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NN=c1[nH]c(C)c(C(C=Cc2ccc(Cl)cc2)=NNC(=O)C[N+](C)(C)C)s1 ZINC000017214936 717112318 /nfs/dbraw/zinc/11/23/18/717112318.db2.gz YIANCDHJEWJQQF-DHZHZOJOSA-O 1 0 449.988 2.808 40 50 IFGBRO CC(=O)NN=c1[nH]c(C)c(C(C=Cc2ccc(Cl)cc2)=NNC(=O)C[N+](C)(C)C)s1 ZINC000005824122 717102885 /nfs/dbraw/zinc/10/28/85/717102885.db2.gz YIANCDHJEWJQQF-FLIBITNWSA-O 1 0 449.988 2.808 40 50 IFGBRO