smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccccc2O)[NH2+]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000095548705 562759417 /nfs/dbraw/zinc/75/94/17/562759417.db2.gz COVHZOULUFTKLG-UBGIYFBASA-N 2 1 817.949 -0.464 1 10 KBCFMP