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)c1cc2cc(NCc3cc(NC(=O)c4ccc(C[NH+]5CCN(C)CC5)cc4)ccc3C)c[nH]c-2n1 ZINC000217076651 562877500 /nfs/dbraw/zinc/87/75/00/562877500.db2.gz POFMIZPRPLFRFO-UHFFFAOYSA-N 1 2 510.642 4.686 1 70 KJIFLO CC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[NH+](C)CC5)cc4)ccc3C)cnc2[nH]1 ZINC000217076651 562877499 /nfs/dbraw/zinc/87/74/99/562877499.db2.gz POFMIZPRPLFRFO-UHFFFAOYSA-N 1 2 510.642 4.686 1 70 KJIFLO COc1ccccc1-c1c2nc(Nc3ccc(C[NH+]4CCN(C)CC4)cc3OC(C)C)ncc2sc1C(N)=O ZINC000217657209 562877745 /nfs/dbraw/zinc/87/77/45/562877745.db2.gz YUAGJCVZVLZRDP-UHFFFAOYSA-N 1 2 546.697 4.744 1 70 KJIFLO