smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([C@H](O)C1NNC([S-])NN1)[C@@H](O)CO ZINC000004018036 183145359 /nfs/dbraw/zinc/14/53/59/183145359.db2.gz LGVKIZKQKNTEPW-HZLVTQRSSA-N -1 3 238.269 -4.126 50 10 BACAHM O=C([C@H](O)C1NNC([S-])NN1)[C@@H](O)CO ZINC000004018038 183144868 /nfs/dbraw/zinc/14/48/68/183144868.db2.gz LGVKIZKQKNTEPW-NUNKFHFFSA-N -1 3 238.269 -4.126 50 10 BACAHM O=C([C@@H](O)CO)[C@@H](O)C1NNC([S-])NN1 ZINC000016102388 183145367 /nfs/dbraw/zinc/14/53/67/183145367.db2.gz LGVKIZKQKNTEPW-PZGQECOJSA-N -1 3 238.269 -4.126 50 10 BACAHM O=C([C@@H](O)CO)[C@@H](O)C1NNC([S-])NN1 ZINC000016102392 183144837 /nfs/dbraw/zinc/14/48/37/183144837.db2.gz LGVKIZKQKNTEPW-YVZJFKFKSA-N -1 3 238.269 -4.126 50 10 BACAHM CN(C)CCNC=C1C(=O)[N-]C(=O)N(C)C1=O ZINC000020023963 384566456 /nfs/dbraw/zinc/56/64/56/384566456.db2.gz VBZMQKLMIDERDO-VOTSOKGWSA-N -1 3 240.263 -1.270 50 10 BACAHM