0 B16R2.2335 N=C1C=CN(C2CSC(CO)O2)C(O)=N1 Amb23566679 [0,0,0,0,0,0|0,0,2]=2 1 B16R2.2335 NC=1C=CN(C2CCC(CO)O2)C(=O)N1 Amb22352189 [0,0,0,0,0,0|1,0,0]=1 2 B16R2.2335 NC=1C=CN([C@@H]2CC[C@H](CO)O2)C(=O)N1 Amb22745292 [0,0,0,0,0,0|1,0,0]=1 3 B16R2.2335 NC=1C=CN([C@@H]2CO[C@H](CO)O2)C(=O)N1 Amb22750665 [0,0,0,0,0,0|0,1,0]=1 4 B16R2.2335 NC=1C=CN([C@@H]2CO[C@H](CO)S2)C(=O)N1 Amb22747874 [0,0,0,0,0,0|0,2,0]=2 5 B16R2.2335 NC=1C=CN([C@@H]2CS[C@H](CO)O2)C(=O)N1 Amb19372824 [0,0,0,0,0,0|0,0,0]=0 6 B16R2.2335 NC=1C=CN([C@@H]2CS[C@H](CO)O2)C(=O)N1 Amb22168064 [0,0,0,0,0,0|0,0,0]=0 7 B16R2.2335 NC=1C=CN([C@H]2CC[C@@H](CO)O2)C(=O)N1 Amb22045224 [0,0,0,0,0,0|1,0,0]=1 8 B16R2.2335 NC=1C=CN([C@H]2CS[C@@H](CO)O2)C(=O)N1 Amb21855909 [0,0,0,0,0,0|0,0,0]=0 9 B16R2.2335 Nc1ccn(c(=O)n1)C2CC[C@H](O2)CO Amb2444071 [0,0,0,0,0,0|1,0,0]=1 10 B16R2.2335 OC[C@@H]1CC[C@@H](O1)N2C=CC(=O)NC2=O Amb22347839 [0,0,0,0,0,0|2,0,1]=3 11 B15R2.275 Nc1ccc(c[n]1)C2CCC(CO)O2 Amb25347924 [1,0,0,0,0,0|2,0,0]=3 12 B15R2.1153 NC=1C=CN(C2CSC(O)O2)C(=O)N1 Amb22261451 [1,0,0,0,0,0|0,0,0]=1 13 B15R2.1153 NC=1C=CN([C@@H]2CS[C@H](O)O2)C(=O)N1 Amb25175870 [1,0,0,0,0,0|0,0,0]=1 14 B15R2.1153 NC=1C=CN([C@@H]2C[C@H](O)C=C2)C(=O)N1 Amb25374061 [1,0,0,0,0,0|2,0,1]=4 15 B15R2.1153 NC=1C=CN([C@H]2C[C@@H](O)C=C2)C(=O)N1 Amb24692637 [1,0,0,0,0,0|2,0,1]=4 16 B17R2.10947 NC1=NC(=O)N(C=N1)[C@@H]2C[C@H](O)[C@H](CO)O2 Amb19130602 [0,1,0,0,0,0|2,0,0]=3 17 B17R2.10947 NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2 Amb20240580 [0,1,0,0,0,0|2,0,0]=3 18 B17R2.10947 NC=1C=CN(C2CC(O)C(CO)O2)C(=O)N1 Amb18363428 [0,1,0,0,0,0|1,0,0]=2 19 B17R2.10947 NC=1C=CN(C2CC(O)C(CO)O2)C(=O)N1 Amb20665332 [0,1,0,0,0,0|1,0,0]=2 20 B17R2.10947 NC=1C=CN([C@@H]2CC(O)[C@H](CO)O2)C(=O)N1 Amb22800681 [0,1,0,0,0,0|1,0,0]=2 21 B17R2.10947 NC=1C=CN([C@@H]2CC(O)[C@H](CO)O2)C(=O)N1 Amb22801762 [0,1,0,0,0,0|1,0,0]=2 22 B17R2.10947 NC=1C=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)N1 Amb24273748 [0,1,0,0,0,0|1,0,0]=2 23 B17R2.10947 NC=1C=CN([C@@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1 Amb22752774 [0,1,0,0,0,0|1,0,0]=2 24 B17R2.10947 NC=1C=CN([C@@H]2C[C@H](O)[C@H](CO)O2)C(=O)N1 Amb19131511 [0,1,0,0,0,0|1,0,0]=2 25 B17R2.10947 NC=1C=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1 Amb20240537 [0,1,0,0,0,0|1,0,0]=2 26 B17R2.10947 NC=1C=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1 Amb22348235 [0,1,0,0,0,0|1,0,0]=2 27 B17R2.10947 NC=1C=C[15N]([C@@H]2C[C@H](O)[C@H](CO)O2)[13C](=O)[15N]1 Amb19131512 [0,1,0,0,0,0|1,0,0]=2 28 B17R2.10947 N[C@H]1C[C@@H](O[C@@H]1CO)[n]2ccc(=O)[nH]c2=O Amb24061834 [0,1,0,0,0,0|2,0,1]=4 29 B17R2.10947 OC=1C=CN(C2CC(O)C(CO)O2)C(=O)N1 Amb19803066 [0,1,0,0,0,0|2,0,0]=3 30 B17R2.10947 OCC1OC(CC1O)n2ccc(nc2=O)[NH3+] Amb10553761 [0,1,0,0,0,0|1,0,1]=3 31 B17R2.10947 OC[C@@H]1O[C@@H](C[C@H]1F)N2C=CC(=O)NC2=O Amb22800713 [0,1,0,0,0,0|2,0,1]=4 32 B17R2.10947 OC[C@@H]1O[C@@H](C[C@H]1O)n2ccc(=O)[nH]c2=O Amb17938049 [0,1,0,0,0,0|2,0,1]=4 33 B17R2.10947 OC[C@H]1O[C@H](C[C@@H]1F)N2C=CC(=O)NC2=O Amb22347838 [0,1,0,0,0,0|2,0,1]=4 34 B17R2.10947 OC[C@H]1O[C@H](C[C@@H]1N)n2ccc(nc2=O)N Amb16232202 [0,1,0,0,0,0|1,0,0]=2 35 B17R2.10947 O[C@@H]1C[C@@H](O[C@@H]1CO)N2C=CC(=O)NC2=O Amb19131571 [0,1,0,0,0,0|2,0,1]=4 36 B17R2.10947 O[C@@H]1C[C@@H](O[C@@H]1CO)[15N]2C=CC(=O)[15NH][13C]2=O Amb19131572 [0,1,0,0,0,0|2,0,1]=4 37 B17R2.10947 O[C@@H]1C[C@@H](O[C@H]1CO)N2C=CC(=O)NC2=O Amb22752775 [0,1,0,0,0,0|2,0,1]=4 38 B17R2.10947 O[C@H]1C[C@@H](O[C@@H]1CO)N2C=CC(=O)NC2=O Amb20240532 [0,1,0,0,0,0|2,0,1]=4 39 B17R2.61232 NC1=NC(=O)C=CN1C2OC(CC2O)CO Amb22734335 [0,1,0,0,0,0|3,0,0]=4 40 B17R2.61232 OC1CC(CO)OC1N2C=CC(=O)NC2=O Amb22734334 [0,1,0,0,0,0|2,0,1]=4 41 B17R2.96300 CC1=CN(C2C=CC(CO)O2)C(=O)N=C1O Amb22557676 [0,1,0,0,0,0|2,0,1]=4 42 B17R2.96300 CC1=CN(C2CCC(CO)O2)C(=O)NC1=O Amb19891279 [0,1,0,0,0,0|2,0,1]=4 43 B17R2.96300 CC1=CN([C@@H]2CC[C@H](CO)O2)C(=O)NC1=O Amb17933812 [0,1,0,0,0,0|2,0,1]=4 44 B17R2.96300 CC1=CN([C@H]2CC[C@@H](CO)O2)C(=O)NC1=O Amb22337720 [0,1,0,0,0,0|2,0,1]=4 45 B17R2.96300 NC1=NC(=O)N(C=C1F)C2C=CC(CO)O2 Amb19132077 [0,1,0,0,0,0|1,0,1]=3 46 B17R2.96300 NC1=NC(=O)N(C=C1F)[C@@H]2CS[C@H](CO)O2 Amb20243251 [0,1,0,0,0,0|0,0,0]=1 47 B17R2.96300 NC1=[15N][13C](=O)[15N](C=C1F)C2C=CC(CO)O2 Amb19132078 [0,1,0,0,0,0|1,0,1]=3 48 B17R2.96300 Nc1nc(=O)n(cc1Br)[C@H]2CC[C@H](O2)CO Amb16204108 [0,1,0,0,0,0|1,0,0]=2 49 B17R2.96300 OC[C@@H]1CC[C@@H](O1)N2C=C(Br)C(=O)NC2=O Amb22800396 [0,1,0,0,0,0|2,0,1]=4 50 B17R2.96300 OC[C@@H]1CC[C@@H](O1)N2C=C(I)C(=O)NC2=O Amb22347749 [0,1,0,0,0,0|2,0,1]=4 51 B17R2.96300 OC[C@@H]1CC[C@@H](O1)n2cc(Br)c(=O)[nH]c2=O Amb16204107 [0,1,0,0,0,0|2,0,1]=4 52 B17R2.96300 OC[C@@H]1CC[C@@H](O1)n2cc(I)c(=O)[nH]c2=O Amb16204100 [0,1,0,0,0,0|2,0,1]=4 53 B15R2.1796 OC[C@H]1CC[C@H]1N2C=CC(=O)NC2=O Amb25312076 [0,0,0,0,1,0|2,0,1]=4 54 B15R2.1996 OCC1CC(C1)N2C=CC(=O)NC2=O Amb25664936 [0,0,0,0,1,0|2,0,1]=4 55 B14R2.8 OCC1CCC(O1)c2c[n]ccc2 Amb25706044 [2,0,0,0,0,0|2,0,0]=4 56 B14R2.739 NC=1C=CN(C2C=CCO2)C(=O)N1 Amb18128375 [2,0,0,0,0,0|1,0,1]=4 57 B14R2.739 NC=1C=CN(C2CCCO2)C(=O)N1 Amb18128877 [2,0,0,0,0,0|1,0,0]=3 58 B14R2.739 NC=1C=CN(C2CNCC2)C(=O)N1 Amb25774977 [2,0,0,0,0,0|2,0,0]=4 59 B14R2.739 NC=1C=NN(C2CCCO2)C(=O)N1 Amb20031931 [2,0,0,0,0,0|2,0,0]=4 60 B14R2.739 NC=1C=NN([C@H]2CCCO2)C(=O)N1 Amb24346721 [2,0,0,0,0,0|2,0,0]=4 61 B18R2.166711 NC=1NC(=O)N([C@@H]2C[C@H](O)[C@H](CO)O2)C(=O)N1 Amb19130603 [0,2,0,0,0,0|2,0,0]=4 62 B18R2.16852 NC1=NC(=O)N(C=N1)C2OC(CO)C(O)C2O Amb19654023 [0,2,0,0,0,0|2,0,0]=4 63 B18R2.16852 NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Amb20240535 [0,2,0,0,0,0|2,0,0]=4 64 B18R2.16852 NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@H](O)C2O Amb19130595 [0,2,0,0,0,0|2,0,0]=4 65 B18R2.16852 NC=1C=CN(C2OC(CO)C(O)C2F)C(=O)N1 Amb20247305 [0,2,0,0,0,0|1,0,0]=3 66 B18R2.16852 NC=1C=CN(C2OC(CO)C(O)C2O)C(=O)N1 Amb19737280 [0,2,0,0,0,0|1,0,0]=3 67 B18R2.16852 NC=1C=CN(C2OC(CO)C(O)C2O)C(=O)N1 Amb20659788 [0,2,0,0,0,0|1,0,0]=3 68 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)C(O)C2O)C(=O)N1 Amb21956130 [0,2,0,0,0,0|1,0,0]=3 69 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)C(O)C2O)C(=O)N1 Amb22800495 [0,2,0,0,0,0|1,0,0]=3 70 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)C(O)C2O)C(=S)N1 Amb22799708 [0,2,0,0,0,0|1,1,0]=4 71 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)C(O)[C@H]2O)C(=O)N1 Amb19131368 [0,2,0,0,0,0|1,0,0]=3 72 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)[C@@H](F)[C@H]2O)C(=O)N1 Amb22745738 [0,2,0,0,0,0|1,0,0]=3 73 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)C(=O)N1 Amb22747195 [0,2,0,0,0,0|1,0,0]=3 74 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)N1 Amb19516151 [0,2,0,0,0,0|1,0,0]=3 75 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)N1 Amb20240612 [0,2,0,0,0,0|1,0,0]=3 76 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2Cl)C(=O)N1 Amb22168433 [0,2,0,0,0,0|1,0,0]=3 77 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)C(=O)N1 Amb19515760 [0,2,0,0,0,0|1,0,0]=3 78 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)C(=O)N1 Amb22899415 [0,2,0,0,0,0|1,0,0]=3 79 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)C(=O)N1 Amb22745390 [0,2,0,0,0,0|1,0,0]=3 80 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 Amb20240536 [0,2,0,0,0,0|1,0,0]=3 81 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 Amb22801147 [0,2,0,0,0,0|1,0,0]=3 82 B18R2.16852 NC=1C=CN([C@@H]2O[C@H](CO)[C@H](O)C2O)C(=O)N1 Amb19131372 [0,2,0,0,0,0|1,0,0]=3 83 B18R2.16852 NC=1C=CN([C@@H]2S[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)N1 Amb24076379 [0,2,0,0,0,0|1,1,0]=4 84 B18R2.16852 NC=1C=NN(C2OC(CO)C(O)C2O)C(=O)N1 Amb19115431 [0,2,0,0,0,0|2,0,0]=4 85 B18R2.16852 NC=1C=NN([C@@H]2O[C@H](CO)C(O)C2O)C(=O)N1 Amb22800465 [0,2,0,0,0,0|2,0,0]=4 86 B18R2.16852 N[13C]=1[13CH]=[13CH]N([C@@H]2O[C@H](CO)C(O)[C@H]2O)C(=O)N1 Amb19131369 [0,2,0,0,0,0|1,0,0]=3 87 B18R2.16852 OCC1OC(C(C1O)O)n2cnc(nc2=O)N Amb16226865 [0,2,0,0,0,0|2,0,0]=4 88 B18R2.16852 OCC1OC(C(C1O)O)n2ncc(nc2=O)N Amb1269348 [0,2,0,0,0,0|2,0,0]=4 89 B18R2.16852 OC[C@H]1O[C@@H]([C@H]([C@H]1O)O)n2ccc(nc2=O)N Amb10072313 [0,2,0,0,0,0|1,0,0]=3 90 B18R2.16852 OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n2ccc(nc2=O)N Amb10603741 [0,2,0,0,0,0|1,0,0]=3 91 B18R2.16852 [15NH2]C1=[15N]C(=O)[15N](C=[15N]1)[C@@H]2O[C@H](CO)[C@H](O)C2O Amb19130596 [0,2,0,0,0,0|2,0,0]=4 92 B18R2.165926 CC1=CN([C@@H]2CC(O)[C@H](CO)O2)C(=O)N=C1N Amb22801642 [0,2,0,0,0,0|1,0,0]=3 93 B18R2.165926 CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N Amb20243187 [0,2,0,0,0,0|1,0,0]=3 94 B18R2.165926 NC1=NC(=O)N(C=C1Br)[C@@H]2C[C@@H](O)[C@H](CO)O2 Amb22745174 [0,2,0,0,0,0|1,0,0]=3 95 B18R2.165926 NC1=NC(=O)N(C=C1Cl)C2CC(O)C(CO)O2 Amb22731210 [0,2,0,0,0,0|1,0,0]=3 96 B18R2.165926 NC1=NC(=O)N(C=C1F)C2C[C@H](O)[C@@H](CO)O2 Amb22364414 [0,2,0,0,0,0|1,0,0]=3 97 B18R2.165926 NC1=NC(=O)N(C=C1F)[C@@H]2C[C@@H](O)[C@H](CO)O2 Amb22745263 [0,2,0,0,0,0|1,0,0]=3 98 B18R2.165926 NC1=NC(=O)N(C=C1F)[C@H]2C[C@H](O)[C@@H](CO)O2 Amb20243213 [0,2,0,0,0,0|1,0,0]=3 99 B18R2.165926 NC1=NC(=O)N(C=C1I)C2CC(O)C(CO)O2 Amb19654025 [0,2,0,0,0,0|1,0,0]=3 100 B18R2.165926 NC1=NC(=O)N(C=C1I)[C@H]2C[C@H](O)[C@@H](CO)O2 Amb20240576 [0,2,0,0,0,0|1,0,0]=3 101 B18R2.165926 OC1=NC(=O)N(C=C1I)C2CC(O)C(CO)O2 Amb19802364 [0,2,0,0,0,0|2,0,0]=4 102 B18R2.165926 OCC1OC(CC1O)n2cc(I)c(nc2=O)N Amb2099553 [0,2,0,0,0,0|1,0,0]=3 103 B14R2.4264 NC=1C=CN([C@H]2C[C@H]2CO)C(=O)N1 Amb24741671 [0,0,0,0,2,0|0,0,0]=2