smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CCO[Si](C)(C)C(C)(C)C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001598497933 992389444 /nfs/dbraw/zinc/38/94/44/992389444.db2.gz KNQGBQYMWJUKQI-HNNXBMFYSA-N 0 2 341.499 3.905 20 50 EHGDLN C[N@@H+](CCO[Si](C)(C)C(C)(C)C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001598497933 992389448 /nfs/dbraw/zinc/38/94/48/992389448.db2.gz KNQGBQYMWJUKQI-HNNXBMFYSA-N 0 2 341.499 3.905 20 50 EHGDLN C[N@H+](CCO[Si](C)(C)C(C)(C)C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001598497935 992389849 /nfs/dbraw/zinc/38/98/49/992389849.db2.gz KNQGBQYMWJUKQI-OAHLLOKOSA-N 0 2 341.499 3.905 20 50 EHGDLN C[N@@H+](CCO[Si](C)(C)C(C)(C)C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001598497935 992389858 /nfs/dbraw/zinc/38/98/58/992389858.db2.gz KNQGBQYMWJUKQI-OAHLLOKOSA-N 0 2 341.499 3.905 20 50 EHGDLN C[N@H+](CCO[Si](C)(C)C(C)(C)C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598498047 992389467 /nfs/dbraw/zinc/38/94/67/992389467.db2.gz NSQQDMYXBIKWQM-MRXNPFEDSA-N 0 2 348.519 3.638 20 50 EHGDLN C[N@@H+](CCO[Si](C)(C)C(C)(C)C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598498047 992389470 /nfs/dbraw/zinc/38/94/70/992389470.db2.gz NSQQDMYXBIKWQM-MRXNPFEDSA-N 0 2 348.519 3.638 20 50 EHGDLN C[N@H+](CCO[Si](C)(C)C(C)(C)C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598498041 992390063 /nfs/dbraw/zinc/39/00/63/992390063.db2.gz NSQQDMYXBIKWQM-INIZCTEOSA-N 0 2 348.519 3.638 20 50 EHGDLN C[N@@H+](CCO[Si](C)(C)C(C)(C)C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598498041 992390070 /nfs/dbraw/zinc/39/00/70/992390070.db2.gz NSQQDMYXBIKWQM-INIZCTEOSA-N 0 2 348.519 3.638 20 50 EHGDLN