smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(-c2cn([C@@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000043201897 554297724 /nfs/dbraw/zinc/29/77/24/554297724.db2.gz AAHNBILIYONQLX-JOCHJYFZSA-N 1 2 514.483 4.670 30 0 KJACLO COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000043201898 554298147 /nfs/dbraw/zinc/29/81/47/554298147.db2.gz AAHNBILIYONQLX-QFIPXVFZSA-N 1 2 514.483 4.670 30 0 KJACLO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6ccc(O)c(I)c6)[nH]c5c4)nc3c2)CC1 ZINC000100363187 1067211578 /nfs/dbraw/zinc/21/15/78/1067211578.db2.gz ZGUNSONXLSTYPT-UHFFFAOYSA-N 1 2 550.404 4.835 30 0 KJACLO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(O)c(I)c6)nc5c4)nc3c2)CC1 ZINC000100363187 1067211563 /nfs/dbraw/zinc/21/15/63/1067211563.db2.gz ZGUNSONXLSTYPT-UHFFFAOYSA-N 1 2 550.404 4.835 30 0 KJACLO