smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC(CCCCCC)n1c(=O)c2ccc3c4ccc5c(=O)n([C@@H](Cc6c[nH]c7ccccc67)C(=O)[O-])c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 ZINC001585337419 1073199103 /nfs/dbraw/zinc/19/91/03/1073199103.db2.gz UHFFZPLLEXRHCZ-KDXMTYKHSA-N -1 0 759.903 9.795 20 5 KKBDRM CCCCCCC(CCCCCC)n1c(=O)c2ccc3c4ccc5c(=O)n([C@H](Cc6c[nH]c7ccccc67)C(=O)[O-])c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 ZINC001585337420 1073199072 /nfs/dbraw/zinc/19/90/72/1073199072.db2.gz UHFFZPLLEXRHCZ-LDLOPFEMSA-N -1 0 759.903 9.795 20 5 KKBDRM O=C([O-])CCCC(=O)Nc1cc(Br)c2ccc3c(Br)cc(Br)c4ccc1c2c34 ZINC000261508790 1071190043 /nfs/dbraw/zinc/19/00/43/1071190043.db2.gz WXJSSHUGKVOPJZ-UHFFFAOYSA-N -1 0 568.059 7.065 20 5 KKBDRM