smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000216807773 571598564 /nfs/dbraw/zinc/59/85/64/571598564.db2.gz AMIXPOOVOFZNKW-UHFFFAOYSA-N 1 2 690.469 4.522 40 70 KJIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000216808118 571598535 /nfs/dbraw/zinc/59/85/35/571598535.db2.gz APAHJLKAKKZJRD-UHFFFAOYSA-N 1 2 690.469 4.522 40 70 KJIBLO