smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NC=C1C(=O)[N-]C(=O)NC1=O 96930168 166255997 /nfs/dbraw/zinc/25/59/97/166255997.db2.gz IHFPTLWMIKIYEA-UHFFFAOYSA-N -1 0 197.150 -0.787 1 10 ABCFRM O=NN(O)N1CCC[C@H]1C(=O)[O-] 3874753 169346875 /nfs/dbraw/zinc/34/68/75/169346875.db2.gz FKMOQUQNBOAPOT-ZPFUWANQSA-N -1 0 175.144 -0.198 1 10 ABCFRM