smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)CC2)cc1 ZINC000524439106 1071145984 /nfs/dbraw/zinc/14/59/84/1071145984.db2.gz HEUFVUJPQUWNNK-UHFFFAOYSA-N 0 1 500.002 5.402 20 30 KKEDMN CCC(CC)c1cc[n+](C(C(=S)N=C2C=CC(C(N)=O)=CC2)=C([O-])c2ccc3c(c2)CCCC3)cc1 ZINC000726569474 1072908022 /nfs/dbraw/zinc/90/80/22/1072908022.db2.gz ABDMCTRGWINTBL-UHFFFAOYSA-O 0 1 500.688 6.263 20 30 KKEDMN