smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(Cl)cc2Cl)[nH+]1 ZINC000216849294 132271724 /nfs/dbraw/zinc/27/17/24/132271724.db2.gz IAYXTMKIIDVRCX-UHFFFAOYSA-N 2 2 352.269 3.587 40 70 FHIBLP Cc1nc(N2CC[NH+](C)CC2)cc(Nc2cc(Cl)cc(Cl)c2)[nH+]1 ZINC000216849368 132271742 /nfs/dbraw/zinc/27/17/42/132271742.db2.gz VLIRXRKZUMVEAN-UHFFFAOYSA-N 2 2 352.269 3.587 40 70 FHIBLP Cc1nc(N2CC[NH+](C)CC2)cc(Nc2cccc(Cl)c2Cl)[nH+]1 ZINC000216849252 132271497 /nfs/dbraw/zinc/27/14/97/132271497.db2.gz YFJOVUYSECSWCL-UHFFFAOYSA-N 2 2 352.269 3.587 40 70 FHIBLP Cc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000216849332 132271597 /nfs/dbraw/zinc/27/15/97/132271597.db2.gz QMCAWQBWWKSLEM-UHFFFAOYSA-N 2 2 352.269 3.587 40 70 FHIBLP CSc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(C(C)C)cc2)[nH+]1 ZINC000216850950 526215451 /nfs/dbraw/zinc/21/54/51/526215451.db2.gz MCRHHEAKNUPBGL-UHFFFAOYSA-N 2 2 357.527 3.817 40 70 FHIBLP