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](CC[NH+](CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-] ZINC000031601388 372790025 /nfs/dbraw/zinc/79/00/25/372790025.db2.gz YHHGTMLHFCJTHJ-MRVPVSSYSA-N -2 2 320.298 -1.293 40 0 DAABLL C[C@@H](CC[NH+](CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-] ZINC000001587884 372761928 /nfs/dbraw/zinc/76/19/28/372761928.db2.gz YHHGTMLHFCJTHJ-QMMMGPOBSA-N -2 2 320.298 -1.293 40 0 DAABLL