smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C1=C[C@@]2([N+](=O)[O-])C[N@H+](CC(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2 ZINC000004574449 303238100 /nfs/dbraw/zinc/23/81/00/303238100.db2.gz OSIZXDQWOJQCCB-WDEREUQCSA-N 0 2 314.254 -1.377 50 5 DABALN NC(=O)C1=C[C@@]2([N+](=O)[O-])C[N@@H+](CC(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2 ZINC000004574449 303238103 /nfs/dbraw/zinc/23/81/03/303238103.db2.gz OSIZXDQWOJQCCB-WDEREUQCSA-N 0 2 314.254 -1.377 50 5 DABALN NC(=O)C1=C[C@]2([N+](=O)[O-])C[N@H+](CC(=O)[O-])C[C@]([N+](=O)[O-])(C1)C2 ZINC000002751478 303238073 /nfs/dbraw/zinc/23/80/73/303238073.db2.gz OSIZXDQWOJQCCB-MNOVXSKESA-N 0 2 314.254 -1.377 50 5 DABALN NC(=O)C1=C[C@]2([N+](=O)[O-])C[N@@H+](CC(=O)[O-])C[C@]([N+](=O)[O-])(C1)C2 ZINC000002751478 303238075 /nfs/dbraw/zinc/23/80/75/303238075.db2.gz OSIZXDQWOJQCCB-MNOVXSKESA-N 0 2 314.254 -1.377 50 5 DABALN