0 B18R2.165926 CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O Amb19134071 [0,0,0,0,0,0|1,0,0]=1 1 B18R2.165926 CC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)N=C1N Amb31292937 [0,0,0,0,0,0|2,0,1]=3 2 B18R2.165926 CC1=CN([C@H]2C[C@@H](F)[C@@H](CO)O2)C(=O)NC1=O Amb34915708 [0,0,0,0,0,0|2,0,0]=2 3 B18R2.165926 CC1=CN([C@H]2C[C@@H](N)[C@@H](CO)O2)C(=O)NC1=O Amb34141377 [0,0,0,0,0,0|2,0,0]=2 4 B18R2.165926 CC1=CN([C@H]2C[C@@H](O)[C@@H](CO)O2)C(=O)N=C1N Amb34916714 [0,0,0,0,0,0|2,0,1]=3 5 B18R2.165926 CC1=CN([C@H]2C[C@@H](O)[C@@H](CO)O2)C(=O)NC1=O Amb33830764 [0,0,0,0,0,0|1,0,0]=1 6 B18R2.165926 CC1=CN([C@H]2C[C@H](N)[C@@H](CO)O2)C(=O)NC1=O Amb21855931 [0,0,0,0,0,0|2,0,0]=2 7 B18R2.165926 CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N Amb20243187 [0,0,0,0,0,0|2,0,1]=3 8 B18R2.165926 CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O Amb20242383 [0,0,0,0,0,0|1,0,0]=1 9 B18R2.165926 CC1=CN([C@H]2C[C@H](O)[C@H](CO)O2)C(=O)NC1=O Amb34915696 [0,0,0,0,0,0|1,0,0]=1 10 B18R2.165926 CC1CN(C2CC(O)C(CO)O2)C(=O)NC1=O Amb1970049 [0,0,0,0,0,0|1,0,2]=3 11 B18R2.165926 CC1CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O Amb4489388 [0,0,0,0,0,0|1,0,2]=3 12 B18R2.165926 Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)nc1=O Amb17938147 [0,0,0,0,0,0|1,0,1]=2 13 B18R2.165926 NC1=NC(=O)N(C2CC(O)C(CO)O2)C=C1I Amb19654025 [0,0,0,0,0,0|1,1,1]=3 14 B18R2.165926 NC1=NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1F Amb22745263 [0,0,0,0,0,0|1,0,1]=2 15 B18R2.165926 NC1=NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1I Amb31292798 [0,0,0,0,0,0|1,1,1]=3 16 B18R2.165926 NC1=NC(=O)N([C@H]2C[C@@H](O)[C@@H](CO)O2)C=C1Br Amb34915338 [0,0,0,0,0,0|1,1,1]=3 17 B18R2.165926 NC1=NC(=O)N([C@H]2C[C@@H](O)[C@@H](CO)O2)C=C1I Amb34912248 [0,0,0,0,0,0|1,1,1]=3 18 B18R2.165926 NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1F Amb20243213 [0,0,0,0,0,0|1,0,1]=2 19 B18R2.165926 NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1I Amb20240576 [0,0,0,0,0,0|1,1,1]=3 20 B18R2.165926 O=C1NC(=O)N(C2CC(O)C(CO)O2)C=C1Cl Amb20662470 [0,0,0,0,0,0|0,1,0]=1 21 B18R2.165926 O=C1NC(=O)N(C2CC(O)C(CO)O2)C=C1F Amb19514520 [0,0,0,0,0,0|0,0,0]=0 22 B18R2.165926 O=C1NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1I Amb22744855 [0,0,0,0,0,0|0,1,0]=1 23 B18R2.165926 O=C1NC(=O)N([C@H]2C[C@@H](O)[C@@H](CO)O2)C=C1Br Amb19130957 [0,0,0,0,0,0|0,1,0]=1 24 B18R2.165926 O=C1NC(=O)N([C@H]2C[C@@H](O)[C@@H](CO)O2)C=C1F Amb19132326 [0,0,0,0,0,0|0,0,0]=0 25 B18R2.165926 O=C1NC(=O)N([C@H]2C[C@@H](O)[C@@H](CO)O2)C=C1I Amb19132780 [0,0,0,0,0,0|0,1,0]=1 26 B18R2.165926 O=C1NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1Br Amb19668027 [0,0,0,0,0,0|0,1,0]=1 27 B18R2.165926 O=C1NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1I Amb20240644 [0,0,0,0,0,0|0,1,0]=1 28 B18R2.165926 O=c1nc(=O)n(C2CC(O)C(CO)O2)cc1Br Amb1970050 [0,0,0,0,0,0|0,1,1]=2 29 B18R2.165926 O=c1nc(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1F Amb10839744 [0,0,0,0,0,0|0,0,1]=1 30 B18R2.165926 O=c1nc(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1Br Amb9809248 [0,0,0,0,0,0|0,1,1]=2 31 B18R2.165926 O=c1nc(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1F Amb9814144 [0,0,0,0,0,0|0,0,1]=1 32 B18R2.165926 [13CH3]C1=CN([C@@H]2CC(O)[C@H](CO)O2)C(=O)NC1=O Amb24180750 [0,0,0,0,0,0|1,0,0]=1 33 B17R2.10947 NC1=NC(=O)N(C2CC(O)C(CO)O2)C=C1 Amb18363428 [1,0,0,0,0,0|1,0,1]=3 34 B17R2.10947 NC1=NC(=O)N(C2C[C@H](O)[C@@H](CO)O2)C=N1 Amb34913413 [1,0,0,0,0,0|2,0,1]=4 35 B17R2.10947 NC1=NC(=O)N([C@@H]2CC(O)[C@@H](CO)O2)C=N1 Amb31308247 [1,0,0,0,0,0|2,0,1]=4 36 B17R2.10947 NC1=NC(=O)N([C@@H]2CC(O)[C@H](CO)O2)C=C1 Amb22800681 [1,0,0,0,0,0|1,0,1]=3 37 B17R2.10947 NC1=NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1 Amb28974624 [1,0,0,0,0,0|1,0,1]=3 38 B17R2.10947 NC1=NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=N1 Amb31292252 [1,0,0,0,0,0|2,0,1]=4 39 B17R2.10947 NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1 Amb20240537 [1,0,0,0,0,0|1,0,1]=3 40 B17R2.10947 NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=N1 Amb20240580 [1,0,0,0,0,0|2,0,1]=4 41 B17R2.10947 N[C@H]1C[C@H](n2ccc(=O)nc2=O)O[C@@H]1CO Amb24061834 [1,0,0,0,0,0|1,0,1]=3 42 B17R2.10947 Nc1ccn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1 Amb17611826 [1,0,0,0,0,0|1,0,1]=3 43 B17R2.10947 Nc1ccn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)n1 Amb16232202 [1,0,0,0,0,0|2,0,1]=4 44 B17R2.10947 Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 Amb2715305 [1,0,0,0,0,0|1,0,1]=3 45 B17R2.10947 Nc1ncn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1 Amb17608602 [1,0,0,0,0,0|2,0,1]=4 46 B17R2.10947 O=C1C=CN([C@@H]2C[C@@H](F)[C@@H](CO)O2)C(=O)N1 Amb34915148 [1,0,0,0,0,0|1,0,0]=2 47 B17R2.10947 O=C1C=CN([C@H]2C[C@@H](O)[C@@H](CO)O2)C(=O)N1 Amb19131571 [1,0,0,0,0,0|0,0,0]=1 48 B17R2.10947 O=C1C=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1 Amb20240532 [1,0,0,0,0,0|0,0,0]=1 49 B17R2.10947 O=C1CCN(C2CC(O)C(CO)O2)C(=O)N1 Amb22352092 [1,0,0,0,0,0|0,0,2]=3 50 B17R2.10947 [NH3+]C1=NC(=O)N([C@H]2C[C@@H](O)[C@@H](CO)O2)C=C1 Amb22049499 [1,0,0,0,0,0|1,0,1]=3 51 B17R2.96300 CC1=CN(C2CCC(CO)O2)C(=O)NC1=O Amb19891279 [1,0,0,0,0,0|1,0,0]=2 52 B17R2.96300 CC1=CN([C@@H]2C=C[C@H](CO)O2)C(=O)NC1=O Amb19133923 [1,0,0,0,0,0|1,0,2]=4 53 B17R2.96300 CC1=CN([C@@H]2CC[C@H](CO)O2)C(=O)NC1=O Amb17933812 [1,0,0,0,0,0|1,0,0]=2 54 B17R2.96300 CC1=CN([C@H]2C=C[C@@H](CO)O2)C(=O)NC1=O Amb20242439 [1,0,0,0,0,0|1,0,2]=4 55 B17R2.96300 CC1=CN([C@H]2CC[C@@H](CO)O2)C(=O)NC1=O Amb22337720 [1,0,0,0,0,0|1,0,0]=2 56 B17R2.96300 NC1=NC(=O)N(C2CSC(CO)O2)C=C1F Amb28536249 [1,0,0,0,0,0|2,0,1]=4 57 B17R2.96300 NC1=NC(=O)N([C@@H]2CS[C@H](CO)O2)C=C1F Amb20243251 [1,0,0,0,0,0|2,0,1]=4 58 B17R2.96300 O=C1NC(=O)N([C@H]2CC[C@@H](CO)O2)C=C1I Amb22347749 [1,0,0,0,0,0|0,1,0]=2 59 B19R2.23561 CC1=CN(C2CC(O)C(CO)O2)C(=O)N(C)C1=O Amb19520710 [0,1,0,0,0,0|1,0,0]=2 60 B19R2.279485 NC1=NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1[Hg]Cl Amb28463581 [0,1,0,0,0,0|1,1,1]=4 61 B19R2.279485 O=C1NC(=O)N(C2CC(O)C(CO)O2)C=C1CO Amb20246480 [0,1,0,0,0,0|1,0,0]=2 62 B19R2.279485 O=C1NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1CO Amb22169765 [0,1,0,0,0,0|1,0,0]=2 63 B19R2.279485 O=CC1=CN([C@H]2C[C@@H](O)[C@@H](CO)O2)C(=O)NC1=O Amb34916266 [0,1,0,0,0,0|1,0,0]=2 64 B19R2.279485 O=Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1=O Amb24059391 [0,1,0,0,0,0|1,0,1]=3 65 B19R2.3613666 CC1=CN(C2OC(CO)C(O)C2O)C(=O)NC1=O Amb20246757 [0,1,0,0,0,0|1,0,0]=2 66 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)C(=O)NC1=O Amb22745986 [0,1,0,0,0,0|1,0,0]=2 67 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)C(=O)NC1=O Amb22169430 [0,1,0,0,0,0|1,0,0]=2 68 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N=C1N Amb19930491 [0,1,0,0,0,0|2,0,1]=4 69 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O Amb20240534 [0,1,0,0,0,0|1,0,0]=2 70 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C(=O)N=C1N Amb34915512 [0,1,0,0,0,0|2,0,1]=4 71 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C(=O)NC1=O Amb34915185 [0,1,0,0,0,0|1,0,0]=2 72 B19R2.3613666 CC1=CN([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)C(=O)NC1=O Amb20240747 [0,1,0,0,0,0|1,0,0]=2 73 B19R2.3613666 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)C=C1I Amb32405112 [0,1,0,0,0,0|1,1,1]=4 74 B19R2.3613666 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1Br Amb22746197 [0,1,0,0,0,0|1,1,1]=4 75 B19R2.3613666 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1F Amb19883992 [0,1,0,0,0,0|1,0,1]=3 76 B19R2.3613666 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1I Amb20242410 [0,1,0,0,0,0|1,1,1]=4 77 B19R2.3613666 Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1F Amb10842032 [0,1,0,0,0,0|1,0,1]=3 78 B19R2.3613666 O=C1NC(=O)N(C2OC(CO)C(O)C2O)C=C1F Amb20246817 [0,1,0,0,0,0|0,0,0]=1 79 B19R2.3613666 O=C1NC(=O)N(C2OC(CO)C(O)C2O)C=C1I Amb20661490 [0,1,0,0,0,0|0,1,0]=2 80 B19R2.3613666 O=C1NC(=O)N(C2O[C@H](CO)[C@@H](O)[C@H]2F)C=C1I Amb33872131 [0,1,0,0,0,0|0,1,0]=2 81 B19R2.3613666 O=C1NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C=C1I Amb33872132 [0,1,0,0,0,0|0,1,0]=2 82 B19R2.3613666 O=C1NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1Br Amb20671276 [0,1,0,0,0,0|0,1,0]=2 83 B19R2.3613666 O=C1NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1Cl Amb20240874 [0,1,0,0,0,0|0,1,0]=2 84 B19R2.3613666 O=C1NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1F Amb19883814 [0,1,0,0,0,0|0,0,0]=1 85 B19R2.3613666 O=C1NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1I Amb22336746 [0,1,0,0,0,0|0,1,0]=2 86 B19R2.3613666 O=C1NC(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C=C1Br Amb34916650 [0,1,0,0,0,0|0,1,0]=2 87 B19R2.3613666 O=C1NC(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C=C1I Amb34916167 [0,1,0,0,0,0|0,1,0]=2 88 B19R2.3613666 O=C1NC(=O)N([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)C=C1F Amb30866949 [0,1,0,0,0,0|0,0,0]=1 89 B19R2.3613666 O=C1NC(=O)N([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)C=C1Br Amb22745337 [0,1,0,0,0,0|0,1,0]=2 90 B19R2.3613666 O=C1NC(=O)N([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)C=C1Cl Amb22746246 [0,1,0,0,0,0|0,1,0]=2 91 B19R2.3613666 O=C1NC(=O)N([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)C=C1F Amb24273742 [0,1,0,0,0,0|0,0,0]=1 92 B19R2.3613666 O=C1NC(=O)N([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)C=C1I Amb32411791 [0,1,0,0,0,0|0,1,0]=2 93 B19R2.3613666 O=C1NC(=O)N([C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)C=C1F Amb32414669 [0,1,0,0,0,0|0,0,0]=1 94 B19R2.3613666 O=c1nc(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1F Amb10839961 [0,1,0,0,0,0|0,0,1]=2 95 B19R2.3613666 O=c1nc(O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1O Amb4091043 [0,1,0,0,0,0|1,0,2]=4 96 B19R3.12958058 CC1=CN2C(=NC1=O)O[C@H]3[C@@H](O)[C@@H](CO)O[C@H]32 Amb34915711 [0,0,0,1,0,0|1,0,2]=4 97 B19R3.12958058 CC1=CN2C(=NC1=O)O[C@H]3[C@H](O)[C@@H](CO)O[C@H]32 Amb22168371 [0,0,0,1,0,0|1,0,2]=4 98 B16R2.2335 NC1=NC(=O)N([C@@H]2CC[C@H](CO)O2)C=C1 Amb22745292 [2,0,0,0,0,0|1,0,1]=4 99 B16R2.2335 NC1=NC(=O)N([C@H]2CC[C@@H](CO)O2)C=C1 Amb22045224 [2,0,0,0,0,0|1,0,1]=4 100 B16R2.2335 O=C1C=CN([C@H]2CC[C@@H](CO)O2)C(=O)N1 Amb22347839 [2,0,0,0,0,0|0,0,0]=2 101 B16R2.2335 O=c1ccn([C@@H]2CC[C@H](CO)O2)c(=O)n1 Amb3997231 [2,0,0,0,0,0|0,0,1]=3 102 B18R2.16852 NC1=NC(=O)N(C2OC(CO)C(O)C2O)C=C1 Amb19737280 [1,1,0,0,0,0|1,0,1]=4 103 B18R2.16852 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)C=C1 Amb22747195 [1,1,0,0,0,0|1,0,1]=4 104 B18R2.16852 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C=C1 Amb19516151 [1,1,0,0,0,0|1,0,1]=4 105 B18R2.16852 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C=C1 Amb20240612 [1,1,0,0,0,0|1,0,1]=4 106 B18R2.16852 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2Cl)C=C1 Amb22168433 [1,1,0,0,0,0|1,0,1]=4 107 B18R2.16852 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)C=C1 Amb19515760 [1,1,0,0,0,0|1,0,1]=4 108 B18R2.16852 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)C=C1 Amb22899415 [1,1,0,0,0,0|1,0,1]=4 109 B18R2.16852 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)C=C1 Amb22745390 [1,1,0,0,0,0|1,0,1]=4 110 B18R2.16852 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1 Amb20240536 [1,1,0,0,0,0|1,0,1]=4 111 B18R2.16852 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1 Amb22801147 [1,1,0,0,0,0|1,0,1]=4 112 B18R2.16852 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@H](O)C2O)C=C1 Amb19131372 [1,1,0,0,0,0|1,0,1]=4 113 B18R2.16852 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)C=C1 Amb34915505 [1,1,0,0,0,0|1,0,1]=4 114 B18R2.16852 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@H]2F)C=C1 Amb34915341 [1,1,0,0,0,0|1,0,1]=4 115 B18R2.16852 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C=C1 Amb34915506 [1,1,0,0,0,0|1,0,1]=4 116 B18R2.16852 NC1=NC(=O)N([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)C=C1 Amb34915025 [1,1,0,0,0,0|1,0,1]=4 117 B18R2.16852 NC1=NC(=O)N([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)C=C1 Amb34915635 [1,1,0,0,0,0|1,0,1]=4 118 B18R2.16852 NC1=NC(=O)N([C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)C=C1 Amb33871650 [1,1,0,0,0,0|1,0,1]=4 119 B18R2.16852 N[C@@H]1[C@@H](N2C=CC(=O)NC2=O)O[C@@H](CO)[C@@H]1O Amb22745392 [1,1,0,0,0,0|0,0,0]=2 120 B18R2.16852 Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 Amb10843374 [1,1,0,0,0,0|1,0,1]=4 121 B18R2.16852 O=C1C=CN(C2OC(CO)C(O)C2Cl)C(=O)N1 Amb31308317 [1,1,0,0,0,0|0,0,0]=2 122 B18R2.16852 O=C1C=CN(C2OC(CO)C(O)C2O)C(=O)N1 Amb19748304 [1,1,0,0,0,0|0,0,0]=2 123 B18R2.16852 O=C1C=CN([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)C(=O)N1 Amb22746465 [1,1,0,0,0,0|0,0,0]=2 124 B18R2.16852 O=C1C=CN([C@@H]2O[C@H](CO)C(O)C2O)C(=O)N1 Amb33757803 [1,1,0,0,0,0|0,0,0]=2 125 B18R2.16852 O=C1C=CN([C@@H]2O[C@H](CO)C(O)C2O)C(=S)N1 Amb22800109 [1,1,0,0,0,0|0,1,0]=3 126 B18R2.16852 O=C1C=CN([C@@H]2O[C@H](CO)C(O)[C@@H]2O)C(=O)N1 Amb33758039 [1,1,0,0,0,0|0,0,0]=2 127 B18R2.16852 O=C1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)N1 Amb20240610 [1,1,0,0,0,0|0,0,0]=2 128 B18R2.16852 O=C1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2Cl)C(=O)N1 Amb22168432 [1,1,0,0,0,0|0,0,0]=2 129 B18R2.16852 O=C1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)C(=O)N1 Amb20240756 [1,1,0,0,0,0|0,0,0]=2 130 B18R2.16852 O=C1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 Amb20242382 [1,1,0,0,0,0|0,0,0]=2 131 B18R2.16852 O=C1C=CN([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)C(=O)N1 Amb34915848 [1,1,0,0,0,0|0,0,0]=2 132 B18R2.16852 O=C1C=CN([C@@H]2O[C@H](CO)[C@H](O)[C@H]2F)C(=O)N1 Amb34915485 [1,1,0,0,0,0|0,0,0]=2 133 B18R2.16852 O=C1C=CN([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C(=O)N1 Amb34915487 [1,1,0,0,0,0|0,0,0]=2 134 B18R2.16852 O=C1C=CN([C@@H]2S[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 Amb33872133 [1,1,0,0,0,0|0,1,0]=3 135 B18R2.16852 O=C1C=CN([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2F)C(=O)N1 Amb22745014 [1,1,0,0,0,0|0,0,0]=2 136 B18R2.16852 O=C1C=CN([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)C(=O)N1 Amb22752781 [1,1,0,0,0,0|0,0,0]=2 137 B18R2.16852 O=C1C=NN(C2OC(CO)C(O)C2O)C(=O)N1 Amb20665330 [1,1,0,0,0,0|1,0,0]=3 138 B18R2.16852 O=C1C=NN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=S)N1 Amb22352310 [1,1,0,0,0,0|1,1,0]=4 139 B18R2.16852 O=C1C=NN([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)C(=O)N1 Amb22746177 [1,1,0,0,0,0|1,0,0]=3 140 B18R2.16852 O=C1CCN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 Amb24076368 [1,1,0,0,0,0|0,0,2]=4 141 B18R2.16852 O=C1CCN([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)C(=O)N1 Amb33719638 [1,1,0,0,0,0|0,0,2]=4 142 B18R2.16852 O=C1NC(=S)C=CN1[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O Amb34915201 [1,1,0,0,0,0|0,1,0]=3 143 B18R2.16852 O=C1NC(=S)C=CN1[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O Amb33716466 [1,1,0,0,0,0|0,1,0]=3 144 B18R2.16852 O=C1NC=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 Amb22504492 [1,1,0,0,0,0|2,0,0]=4 145 B18R2.16852 O=c1cc(O)ccn1C2OC(CO)C(O)C2O Amb2715202 [1,1,0,0,0,0|1,0,1]=4 146 B18R2.16852 O=c1ccn([C@@H]2O[C@H](CI)[C@@H](O)[C@H]2O)c(=O)n1 Amb30633635 [1,1,0,0,0,0|1,0,1]=4 147 B18R2.16852 O=c1ccn([C@@H]2O[C@H](CO)[C@@H](F)[C@H]2O)c(=O)n1 Amb24087357 [1,1,0,0,0,0|1,0,1]=4 148 B18R2.16852 O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2Br)c(=O)n1 Amb16234209 [1,1,0,0,0,0|0,0,1]=3 149 B18R2.16852 O=c1ccn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 Amb13777281 [1,1,0,0,0,0|0,0,1]=3 150 B18R2.16852 OC[C@H]1O[C@@H](N2C=CC(=S)NC2=S)[C@H](O)[C@@H]1O Amb33857755 [1,1,0,0,0,0|0,2,0]=4 151 B18R2.66696 CC1OC(N2C=C(F)C(=O)NC2=O)C(O)C1O Amb22757817 [1,1,0,0,0,0|0,0,0]=2 152 B18R2.66696 CC1OC(N2C=C(F)C(N)=NC2=O)C(O)C1O Amb28543930 [1,1,0,0,0,0|1,0,1]=4 153 B18R2.66696 C[C@@H]1OC(N2C=C(F)C(=O)NC2=O)[C@@H](O)[C@H]1O Amb28524837 [1,1,0,0,0,0|0,0,0]=2 154 B18R2.66696 C[C@@H]1O[C@H](N2C=C(F)C(=O)NC2=O)C(O)C1O Amb32414619 [1,1,0,0,0,0|0,0,0]=2 155 B18R2.66696 C[C@@H]1O[C@H](N2C=C(F)C(N)=NC2=O)[C@@H](O)[C@H]1O Amb22744729 [1,1,0,0,0,0|1,0,1]=4 156 B18R2.66696 C[C@@H]1O[C@H](n2cc(F)c(=O)nc2=O)[C@@H](O)[C@H]1O Amb16231293 [1,1,0,0,0,0|0,0,1]=3 157 B18R2.66696 C[C@H]1OC(n2cc(F)c(=O)nc2=O)[C@@H](O)C1O Amb8385022 [1,1,0,0,0,0|0,0,1]=3 158 B18R2.66696 C[C@H]1O[C@@H](N2C=C(F)C(=O)NC2=O)[C@H](O)[C@@H]1O Amb20240730 [1,1,0,0,0,0|0,0,0]=2 159 B18R2.66696 C[C@H]1O[C@@H](N2C=C(F)C(N)=NC2=O)[C@H](O)[C@@H]1O Amb20241130 [1,1,0,0,0,0|1,0,1]=4 160 B20R2.1903572 C#CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O Amb22757237 [0,2,0,0,0,0|1,0,0]=3 161 B20R2.3200064 O=C1NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1\C=C\Br Amb22757297 [0,2,0,0,0,0|0,1,0]=3 162 B20R2.3200064 O=C1NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1CCO Amb24099152 [0,2,0,0,0,0|1,0,0]=3 163 B20R2.3200064 O=C1NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1\C=C\Br Amb34915925 [0,2,0,0,0,0|0,1,0]=3 164 B20R2.1420897 CC1=CN([C@@H]2C[C@@H](O)[C@H](CN=[N+]=[N-])O2)C(=O)NC1=O Amb32409598 [0,2,0,0,0,0|2,0,0]=4 165 B20R2.11267199 CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC1=O Amb19130617 [0,2,0,0,0,0|2,0,0]=4 166 B20R2.11267199 CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC1=O Amb35746007 [0,2,0,0,0,0|2,0,0]=4 167 B20R2.11267199 CC1=CN([C@@H]2CC(N=[N+]=[N-])[C@H](CO)O2)C(=O)NC1=O Amb22893546 [0,2,0,0,0,0|2,0,0]=4 168 B20R2.11267199 CC1=CN([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC1=O Amb19372823 [0,2,0,0,0,0|2,0,0]=4 169 B20R2.5521486 CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C=C(C)C(=O)NC2=O Amb22757279 [0,2,0,0,0,0|1,0,0]=3 170 B20R2.5521486 CO[C@H]1[C@@H](N2C=C(C)C(=O)NC2=O)O[C@H](CO)[C@H]1O Amb34915267 [0,2,0,0,0,0|1,0,0]=3 171 B20R2.37513402 CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)C(=O)NC1=O Amb22756295 [0,2,0,0,0,0|1,0,0]=3 172 B18R3.199977 O=C1C=CN2C(=N1)O[C@@H]3[C@@H](O)[C@H](CO)O[C@@H]32 Amb22744887 [1,0,0,1,0,0|0,0,2]=4 173 B18R3.199977 O=C1C=CN2C(=N1)O[C@H]3[C@@H](O)[C@@H](CO)O[C@H]32 Amb34915275 [1,0,0,1,0,0|0,0,2]=4 174 B18R3.199977 O=C1C=CN2C(=N1)O[C@H]3[C@@H](O)[C@H](CO)O[C@@H]32 Amb33715524 [1,0,0,1,0,0|0,0,2]=4 175 B18R3.199977 O=C1C=CN2C(=N1)O[C@H]3[C@@H]2O[C@@H](CO)[C@H]3O Amb34916583 [1,0,0,1,0,0|0,0,2]=4 176 B18R3.199977 O=C1C=CN2C(=N1)O[C@H]3[C@H](O)[C@@H](CO)O[C@H]32 Amb20243215 [1,0,0,1,0,0|0,0,2]=4 177 B18R3.952164 NC1=NC(=O)N([C@@H]2O[C@@H]3CO[C@H]2[C@@H]3O)C=C1 Amb35789572 [1,0,0,1,0,0|1,0,1]=4 178 B18R3.1225624 CC1=CN2C(=NC1=O)OC3CC2OC3CO Amb20251014 [1,0,0,1,0,0|1,0,1]=4 179 B18R3.949659 CC1=CN([C@H]2C[C@@H]3OC[C@H]3O2)C(=O)NC1=O Amb20243224 [1,0,0,1,0,0|1,0,0]=3