smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ncnc2c1nc(NN=Cc1ccc(O)cc1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000008740504 569061260 /nfs/dbraw/zinc/06/12/60/569061260.db2.gz UUWMKIXWBJBBFG-VGKAJPLXSA-N 0 1 401.383 -0.828 40 30 HBEBMN Nc1ncnc2c1nc(NN=Cc1ccc(O)cc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000008740505 569061215 /nfs/dbraw/zinc/06/12/15/569061215.db2.gz UUWMKIXWBJBBFG-BSYMZFDZSA-N 0 1 401.383 -0.828 40 30 HBEBMN Nc1ncnc2c1nc(NN=Cc1ccc(O)cc1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000008740506 527574977 /nfs/dbraw/zinc/57/49/77/527574977.db2.gz UUWMKIXWBJBBFG-YGFHNYTESA-N 0 1 401.383 -0.828 40 30 HBEBMN Nc1ncnc2c1nc(NN=Cc1ccc(O)cc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000008740507 569061234 /nfs/dbraw/zinc/06/12/34/569061234.db2.gz UUWMKIXWBJBBFG-VDTYJOMKSA-N 0 1 401.383 -0.828 40 30 HBEBMN Nc1ncnc2c1nc(NN=Cc1cccc(O)c1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000008964830 569061323 /nfs/dbraw/zinc/06/13/23/569061323.db2.gz QVEZFXOWNFUOJL-VGKAJPLXSA-N 0 1 401.383 -0.828 40 30 HBEBMN Nc1ncnc2c1nc(NN=Cc1cccc(O)c1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000008964831 569061280 /nfs/dbraw/zinc/06/12/80/569061280.db2.gz QVEZFXOWNFUOJL-BSYMZFDZSA-N 0 1 401.383 -0.828 40 30 HBEBMN Nc1ncnc2c1nc(NN=Cc1cccc(O)c1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000008964832 569061339 /nfs/dbraw/zinc/06/13/39/569061339.db2.gz QVEZFXOWNFUOJL-YGFHNYTESA-N 0 1 401.383 -0.828 40 30 HBEBMN Nc1ncnc2c1nc(NN=Cc1cccc(O)c1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000008964833 569061337 /nfs/dbraw/zinc/06/13/37/569061337.db2.gz QVEZFXOWNFUOJL-VDTYJOMKSA-N 0 1 401.383 -0.828 40 30 HBEBMN Nc1ncnc2c1nc(N=NCc1ccccc1O)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000008964842 569061282 /nfs/dbraw/zinc/06/12/82/569061282.db2.gz NVRAPKHZDCSSSJ-VGKAJPLXSA-N 0 1 401.383 -0.828 40 30 HBEBMN Nc1ncnc2c1nc(N=NCc1ccccc1O)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000008964843 569061289 /nfs/dbraw/zinc/06/12/89/569061289.db2.gz NVRAPKHZDCSSSJ-BSYMZFDZSA-N 0 1 401.383 -0.828 40 30 HBEBMN Nc1ncnc2c1nc(N=NCc1ccccc1O)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000008964844 569061343 /nfs/dbraw/zinc/06/13/43/569061343.db2.gz NVRAPKHZDCSSSJ-YGFHNYTESA-N 0 1 401.383 -0.828 40 30 HBEBMN Nc1ncnc2c1nc(N=NCc1ccccc1O)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000008964845 569061295 /nfs/dbraw/zinc/06/12/95/569061295.db2.gz NVRAPKHZDCSSSJ-VDTYJOMKSA-N 0 1 401.383 -0.828 40 30 HBEBMN NC(=[NH2+])NCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)[O-] ZINC000039811036 560818175 /nfs/dbraw/zinc/81/81/75/560818175.db2.gz NTUPOKHATNSWCY-OWCLPIDISA-N 0 1 418.498 -0.830 40 30 HBEBMN