smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000150340972 571458035 /nfs/dbraw/zinc/45/80/35/571458035.db2.gz KHWBGXHWQUFMJM-MQCSYFBCSA-N -1 0 666.732 2.152 10 5 KEBERM CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000150341007 571458075 /nfs/dbraw/zinc/45/80/75/571458075.db2.gz XQBYPOPFIAQLGF-ZYEMSUIVSA-N -1 0 666.732 2.152 10 5 KEBERM