0 B17R2.96300 CC1=CN(C2C=CC(CO)O2)C(=O)N=C1O Amb22557676 [0,0,0,0,0,0|0,0,2]=2 1 B17R2.96300 CC1=CN(C2C=CC(CO)O2)C(=O)NC1=O Amb21914942 [0,0,0,0,0,0|0,0,0]=0 2 B17R2.96300 CC1=CN(C2CCC(CO)O2)C(=O)NC1=O Amb19891279 [0,0,0,0,0,0|0,0,2]=2 3 B17R2.96300 CC1=CN([C@@H]2C=C[C@H](CO)O2)C(=O)NC1=O Amb19133923 [0,0,0,0,0,0|0,0,0]=0 4 B17R2.96300 CC1=CN([C@@H]2CC[C@H](CO)O2)C(=O)NC1=O Amb17933812 [0,0,0,0,0,0|0,0,2]=2 5 B17R2.96300 CC1=CN([C@H]2C=C[C@@H](CO)O2)C(=O)NC1=O Amb20242439 [0,0,0,0,0,0|0,0,0]=0 6 B17R2.96300 CC1=CN([C@H]2CC[C@@H](CO)O2)C(=O)NC1=O Amb22337720 [0,0,0,0,0,0|0,0,2]=2 7 B17R2.96300 Cc1cn(C2OC(C=C2)CO)c(=O)[nH]c1=O Amb1271269 [0,0,0,0,0,0|0,0,0]=0 8 B17R2.96300 NC1=NC(=O)N(C=C1F)C2C=CC(CO)O2 Amb19132077 [0,0,0,0,0,0|2,0,1]=3 9 B17R2.96300 NC1=[15N][13C](=O)[15N](C=C1F)C2C=CC(CO)O2 Amb19132078 [0,0,0,0,0,0|2,0,1]=3 10 B17R2.96300 OC[C@@H]1CC[C@@H](O1)N2C=C(Br)C(=O)NC2=O Amb22800396 [0,0,0,0,0,0|1,0,2]=3 11 B17R2.96300 OC[C@@H]1CC[C@@H](O1)N2C=C(I)C(=O)NC2=O Amb22347749 [0,0,0,0,0,0|1,0,2]=3 12 B17R2.96300 OC[C@@H]1CC[C@@H](O1)n2cc(Br)c(=O)[nH]c2=O Amb16204107 [0,0,0,0,0,0|1,0,2]=3 13 B17R2.96300 OC[C@@H]1CC[C@@H](O1)n2cc(I)c(=O)[nH]c2=O Amb16204100 [0,0,0,0,0,0|1,0,2]=3 14 B16R2.2335 OC[C@@H]1CC[C@@H](O1)N2C=CC(=O)NC2=O Amb22347839 [1,0,0,0,0,0|0,0,2]=3 15 B18R2.165926 CC1=CN(C2CC(Cl)C(CO)O2)C(=O)NC1=O Amb23566754 [0,1,0,0,0,0|0,0,2]=3 16 B18R2.165926 CC1=CN(C2CC(O)C(CN)O2)C(=O)NC1=O Amb22362830 [0,1,0,0,0,0|1,0,2]=4 17 B18R2.165926 CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O Amb19134071 [0,1,0,0,0,0|0,0,2]=3 18 B18R2.165926 CC1=CN([C@@H]2CC(O)[C@H](CN)O2)C(=O)NC1=O Amb22800317 [0,1,0,0,0,0|1,0,2]=4 19 B18R2.165926 CC1=CN([C@@H]2C[C@@H](F)[C@H](CO)O2)C(=O)NC1=O Amb22800332 [0,1,0,0,0,0|0,0,2]=3 20 B18R2.165926 CC1=CN([C@@H]2C[C@@H](N)[C@H](CO)O2)C(=O)NC1=O Amb22800912 [0,1,0,0,0,0|0,0,2]=3 21 B18R2.165926 CC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)NC1=S Amb22801439 [0,1,0,0,0,0|0,1,2]=4 22 B18R2.165926 CC1=CN([C@@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O Amb22744899 [0,1,0,0,0,0|0,0,2]=3 23 B18R2.165926 CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O Amb22338834 [0,1,0,0,0,0|0,0,2]=3 24 B18R2.165926 CC1=CN([C@H]2C[C@H](N)[C@@H](CO)O2)C(=O)NC1=O Amb21855931 [0,1,0,0,0,0|0,0,2]=3 25 B18R2.165926 CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O Amb20242383 [0,1,0,0,0,0|0,0,2]=3 26 B18R2.165926 CC1=C[15N]([C@@H]2C[C@H](O)[C@H](CO)O2)[13C](=O)[15NH]C1=O Amb19134072 [0,1,0,0,0,0|0,0,2]=3 27 B18R2.165926 Cc1c[n](C2CC(O)C(CS)O2)c(=O)[nH]c1=O Amb24064423 [0,1,0,0,0,0|0,1,2]=4 28 B18R2.165926 Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O Amb17938147 [0,1,0,0,0,0|0,0,2]=3 29 B18R2.165926 OC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O Amb22731950 [0,1,0,0,0,0|1,0,2]=4 30 B18R2.165926 OC1CC(OC1CO)N2C=C(Cl)C(=O)NC2=O Amb20662470 [0,1,0,0,0,0|1,0,2]=4 31 B18R2.165926 OC1CC(OC1CO)N2C=C(F)C(=O)NC2=O Amb19514520 [0,1,0,0,0,0|1,0,2]=4 32 B18R2.165926 OC1CC(OC1CO)N2C=C(I)C(=O)NC2=O Amb21934348 [0,1,0,0,0,0|1,0,2]=4 33 B18R2.165926 OC[C@H]1O[C@@H](C[C@H]1O)n2cc(Br)c(=O)[nH]c2=O Amb10072209 [0,1,0,0,0,0|1,0,2]=4 34 B18R2.165926 OC[C@H]1O[C@@H](C[C@H]1O)n2cc(C)c(=O)[nH]c2=O Amb10072554 [0,1,0,0,0,0|0,0,2]=3 35 B18R2.165926 OC[C@H]1O[C@@H](C[C@H]1O)n2cc(F)c(=O)[nH]c2=O Amb10839744 [0,1,0,0,0,0|1,0,2]=4 36 B18R2.165926 OC[C@H]1O[C@H](CC1O)n2cc(Br)c(=O)[nH]c2=O Amb17772977 [0,1,0,0,0,0|1,0,2]=4 37 B18R2.165926 O[C@@H]1CC(O[C@H]1CO)[N@]2C=C(I)C(=O)NC2=O Amb24273615 [0,1,0,0,0,0|1,0,2]=4 38 B18R2.165926 O[C@@H]1C[C@@H](O[C@@H]1CO)N2C=C(Br)C(=O)NC2=O Amb19130957 [0,1,0,0,0,0|1,0,2]=4 39 B18R2.165926 O[C@@H]1C[C@@H](O[C@@H]1CO)N2C=C(Cl)C(=O)NC2=O Amb19131208 [0,1,0,0,0,0|1,0,2]=4 40 B18R2.165926 O[C@@H]1C[C@@H](O[C@@H]1CO)N2C=C(F)C(=O)NC2=O Amb19132326 [0,1,0,0,0,0|1,0,2]=4 41 B18R2.165926 O[C@@H]1C[C@@H](O[C@@H]1CO)N2C=C(I)C(=O)NC2=O Amb19132780 [0,1,0,0,0,0|1,0,2]=4 42 B18R2.165926 O[C@@H]1C[C@@H](O[C@@H]1CO)[15N]2C=C(F)C(=O)[15NH][13C]2=O Amb19132327 [0,1,0,0,0,0|1,0,2]=4 43 B18R2.165926 O[C@@H]1C[C@H](O[C@H]1CO)N2C=C(F)C(=O)NC2=O Amb19413948 [0,1,0,0,0,0|1,0,2]=4 44 B18R2.165926 O[C@@H]1C[C@H](O[C@H]1CO)N2C=C(I)C(=O)NC2=O Amb22744855 [0,1,0,0,0,0|1,0,2]=4 45 B18R2.165926 O[C@H]1CC(O[C@@H]1CO)N2C=C(I)C(=O)NC2=O Amb22348248 [0,1,0,0,0,0|1,0,2]=4 46 B18R2.165926 O[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(Br)C(=O)NC2=O Amb19668027 [0,1,0,0,0,0|1,0,2]=4 47 B18R2.165926 O[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(Cl)C(=O)NC2=O Amb22349964 [0,1,0,0,0,0|1,0,2]=4 48 B18R2.165926 O[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(F)C(=O)NC2=O Amb19883864 [0,1,0,0,0,0|1,0,2]=4 49 B18R2.165926 O[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(I)C(=O)NC2=O Amb20240644 [0,1,0,0,0,0|1,0,2]=4 50 B18R2.165926 [13CH3]C1=CN([C@@H]2CC(O)[C@H](CO)O2)C(=O)NC1=O Amb24180750 [0,1,0,0,0,0|0,0,2]=3 51 B18R2.168088 CC1=CN([C@@H]2O[C@@H](C[C@H]2O)CO)C(=O)NC1=O Amb22752772 [0,1,0,0,0,0|0,0,2]=3 52 B16R1.11844 CC1=CN(COC(CCl)CBr)C(=O)NC1=O Amb19703116 [0,0,1,0,0,0|2,0,1]=4 53 B18R3.949659 CC1=CN(C2CC3OCC3O2)C(=O)NC1=O Amb19519894 [0,0,0,1,0,0|0,0,2]=3 54 B18R3.949659 CC1=CN([C@@H]2C[C@H]3OC[C@@H]3O2)C(=O)NC1=O Amb23401190 [0,0,0,1,0,0|0,0,2]=3 55 B18R3.949659 CC1=CN([C@H]2C[C@@H]3OC[C@H]3O2)C(=O)NC1=O Amb20243224 [0,0,0,1,0,0|0,0,2]=3 56 B15R1.8398 CC1=CN(C\C=C\C(O)=O)C(=O)NC1=O Amb24345293 [1,0,1,0,0,0|0,0,2]=4 57 B15R2.2243 OC[C@@H]1C=C[C@@H](O1)N2C=CN=CC2=O Amb24588383 [2,0,0,0,0,0|2,0,0]=4 58 B15R2.15599 CC1=CN(C2CC=CO2)C(=O)NC1=O Amb24760330 [2,0,0,0,0,0|0,0,2]=4 59 B17R2.10947 N[C@H]1C[C@@H](O[C@@H]1CO)[n]2ccc(=O)[nH]c2=O Amb24061834 [1,1,0,0,0,0|0,0,2]=4 60 B17R2.10947 OC[C@@H]1O[C@@H](C[C@H]1F)N2C=CC(=O)NC2=O Amb22800713 [1,1,0,0,0,0|0,0,2]=4 61 B17R2.10947 OC[C@@H]1O[C@@H](C[C@H]1O)n2ccc(=O)[nH]c2=O Amb17938049 [1,1,0,0,0,0|0,0,2]=4 62 B17R2.10947 OC[C@H]1O[C@H](C[C@@H]1F)N2C=CC(=O)NC2=O Amb22347838 [1,1,0,0,0,0|0,0,2]=4 63 B17R2.10947 O[C@@H]1C[C@@H](O[C@@H]1CO)N2C=CC(=O)NC2=O Amb19131571 [1,1,0,0,0,0|0,0,2]=4 64 B17R2.10947 O[C@@H]1C[C@@H](O[C@@H]1CO)[15N]2C=CC(=O)[15NH][13C]2=O Amb19131572 [1,1,0,0,0,0|0,0,2]=4 65 B17R2.10947 O[C@@H]1C[C@@H](O[C@H]1CO)N2C=CC(=O)NC2=O Amb22752775 [1,1,0,0,0,0|0,0,2]=4 66 B17R2.10947 O[C@H]1C[C@@H](O[C@@H]1CO)N2C=CC(=O)NC2=O Amb20240532 [1,1,0,0,0,0|0,0,2]=4 67 B17R2.61232 OC1CC(CO)OC1N2C=CC(=O)NC2=O Amb22734334 [1,1,0,0,0,0|0,0,2]=4 68 B17R2.42384 CC1=CN(C2CC(O)C(=C)O2)C(=O)NC1=O Amb19815791 [1,1,0,0,0,0|2,0,0]=4 69 B17R2.42384 CC1=CN([C@@H]2CC(O)[C@H](C)O2)C(=O)NC1=O Amb22800544 [1,1,0,0,0,0|0,0,2]=4 70 B17R2.42384 CC1=CN([C@H]2C[C@H](O)[C@@H](C)O2)C(=O)NC1=O Amb22347840 [1,1,0,0,0,0|0,0,2]=4 71 B17R2.42384 O[C@H]1C[C@@H](O[C@@H]1C)n2cc(C)c(=O)[nH]c2=O Amb16204101 [1,1,0,0,0,0|0,0,2]=4 72 B19R2.279485 CCC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O Amb22349616 [0,2,0,0,0,0|0,0,2]=4 73 B19R2.279485 OC1CC(OC1CO)N2C=C(CO)C(=O)NC2=O Amb20246480 [0,2,0,0,0,0|0,0,2]=4 74 B19R2.279485 O[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(CO)C(=O)NC2=O Amb22169765 [0,2,0,0,0,0|0,0,2]=4 75 B19R2.3613666 CC1=CN(C2OC(CO)C(O)C2O)C(=O)NC1=O Amb20246757 [0,2,0,0,0,0|0,0,2]=4 76 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)C(O)C2O)C(=O)NC1=O Amb22799830 [0,2,0,0,0,0|0,0,2]=4 77 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)C(O)[C@H]2F)C(=O)NC1=O Amb19131294 [0,2,0,0,0,0|0,0,2]=4 78 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)C(=O)NC1=O Amb22745986 [0,2,0,0,0,0|0,0,2]=4 79 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)C(=O)NC1=O Amb22169430 [0,2,0,0,0,0|0,0,2]=4 80 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O Amb20240534 [0,2,0,0,0,0|0,0,2]=4 81 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)[C@H](O)C2O)C(=O)NC1=O Amb19133305 [0,2,0,0,0,0|0,0,2]=4 82 B19R2.3613666 CC1=CN([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)C(=O)NC1=O Amb20240747 [0,2,0,0,0,0|0,0,2]=4 83 B19R2.3613666 OC[C@H]1O[C@H]([C@@H]([C@@H]1O)Br)n2cc(C)c(=O)[nH]c2=O Amb16234217 [0,2,0,0,0,0|0,0,2]=4 84 B15R2.1796 OC[C@H]1CC[C@H]1N2C=CC(=O)NC2=O Amb25312076 [1,0,0,0,1,0|0,0,2]=4 85 B15R2.1996 OCC1CC(C1)N2C=CC(=O)NC2=O Amb25664936 [1,0,0,0,1,0|1,0,1]=4 86 B15R2.20050 CC1=CN(C2CC2CO)C(=O)NC1=O Amb24713375 [0,0,0,0,2,0|0,0,1]=3 87 B15R2.20050 CC1=CN([C@@H]2C[C@@H]2CO)C(=O)NC1=O Amb24642081 [0,0,0,0,2,0|0,0,1]=3