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](Cc1c[nH]c[nH+]1)NC(=O)C[NH3+])C(=O)[O-] ZINC000013507674 374255292 /nfs/dbraw/zinc/25/52/92/374255292.db2.gz MVORZMQFXBLMHM-QWRGUYRKSA-N 2 2 340.384 -1.066 50 30 world EAEALP [NH3+]CCCC[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[NH3+])C(=O)[O-] ZINC000013507674 374255282 /nfs/dbraw/zinc/25/52/82/374255282.db2.gz MVORZMQFXBLMHM-QWRGUYRKSA-N 2 2 340.384 -1.066 50 30 world EAEALP