smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(O)C1CCN(Cc2ccc3nc(-c4c5cc[nH]c5ccc4F)nc(N4CCOCC4)c3n2)CC1 ZINC000072316390 553647356 /nfs/dbraw/zinc/64/73/56/553647356.db2.gz ONEJEIKQLAZPNN-UHFFFAOYSA-N 0 1 504.610 4.132 20 0 in-vitro KIADMN Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868914 721189111 /nfs/dbraw/zinc/18/91/11/721189111.db2.gz OZJIVJFZIWXIRR-LEWJYISDSA-N 0 1 500.006 4.129 20 0 KIADMN Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868936 721188775 /nfs/dbraw/zinc/18/87/75/721188775.db2.gz OZJIVJFZIWXIRR-NHCUHLMSSA-N 0 1 500.006 4.129 20 0 KIADMN Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868939 721188530 /nfs/dbraw/zinc/18/85/30/721188530.db2.gz OZJIVJFZIWXIRR-RTWAWAEBSA-N 0 1 500.006 4.129 20 0 KIADMN Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868941 721188805 /nfs/dbraw/zinc/18/88/05/721188805.db2.gz OZJIVJFZIWXIRR-SFTDATJTSA-N 0 1 500.006 4.129 20 0 KIADMN