smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNS(=O)(=O)NCC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000822824533 1075050462 /nfs/dbraw/zinc/05/04/62/1075050462.db2.gz YPJJYNMWJLSTGH-UHFFFAOYSA-N 1 1 385.490 -1.013 20 10 GACDMO CN(Cc1ccccc1O)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001331834325 1075005366 /nfs/dbraw/zinc/00/53/66/1075005366.db2.gz RXQWNIZNCOBVBU-UHFFFAOYSA-N 1 1 396.469 -1.204 20 10 GACDMO