smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCC[C@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C[NH3+])C(=O)[O-] ZINC000039817543 213242536 /nfs/dbraw/zinc/24/25/36/213242536.db2.gz MVORZMQFXBLMHM-WDEREUQCSA-N 2 1 340.384 -1.066 40 30 in-man EAEBMP