smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100500810 717143252 /nfs/dbraw/zinc/14/32/52/717143252.db2.gz GLYGSLXGLNPNEQ-WMZOPIPTSA-O 0 0 362.962 4.838 40 50 FJGBRN CCCCCCCCCCCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100500806 717143334 /nfs/dbraw/zinc/14/33/34/717143334.db2.gz GLYGSLXGLNPNEQ-FUHWJXTLSA-O 0 0 362.962 4.838 40 50 FJGBRN CCCCCCCCCCCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100500803 717143244 /nfs/dbraw/zinc/14/32/44/717143244.db2.gz GLYGSLXGLNPNEQ-SJLPKXTDSA-O 0 0 362.962 4.838 40 50 FJGBRN CCCCCCCCCCCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100500808 717143326 /nfs/dbraw/zinc/14/33/26/717143326.db2.gz GLYGSLXGLNPNEQ-AEFFLSMTSA-O 0 0 362.962 4.838 40 50 FJGBRN