0 B17R2.96300 CC1=CN(C2C=CC(CO)O2)C(=O)N=C1O Amb22557676 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.96300 CC1=CN(C2CCC(CO)O2)C(=O)NC1=O Amb19891279 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.96300 CC1=CN([C@@H]2CC[C@H](CO)O2)C(=O)NC1=O Amb17933812 [0,0,0,0,0,0|3,0,1]=4 3 B17R2.96300 CC1=CN([C@H]2CC[C@@H](CO)O2)C(=O)NC1=O Amb22337720 [0,0,0,0,0,0|3,0,1]=4 4 B17R2.96300 NC1=NC(=O)N(C=C1F)C2C=CC(CO)O2 Amb19132077 [0,0,0,0,0,0|1,0,1]=2 5 B17R2.96300 NC1=NC(=O)N(C=C1F)[C@@H]2CS[C@H](CO)O2 Amb20243251 [0,0,0,0,0,0|0,0,0]=0 6 B17R2.96300 NC1=[15N][13C](=O)[15N](C=C1F)C2C=CC(CO)O2 Amb19132078 [0,0,0,0,0,0|1,0,1]=2 7 B17R2.96300 Nc1nc(=O)n(cc1Br)[C@H]2CC[C@H](O2)CO Amb16204108 [0,0,0,0,0,0|1,1,0]=2 8 B17R2.96300 OC[C@@H]1CC[C@@H](O1)N2C=C(Br)C(=O)NC2=O Amb22800396 [0,0,0,0,0,0|2,1,1]=4 9 B17R2.96300 OC[C@@H]1CC[C@@H](O1)N2C=C(I)C(=O)NC2=O Amb22347749 [0,0,0,0,0,0|2,1,1]=4 10 B17R2.96300 OC[C@@H]1CC[C@@H](O1)n2cc(Br)c(=O)[nH]c2=O Amb16204107 [0,0,0,0,0,0|2,1,1]=4 11 B17R2.96300 OC[C@@H]1CC[C@@H](O1)n2cc(I)c(=O)[nH]c2=O Amb16204100 [0,0,0,0,0,0|2,1,1]=4 12 B16R2.2335 N=C1C=CN(C2CSC(CO)O2)C(O)=N1 Amb23566679 [1,0,0,0,0,0|0,0,2]=3 13 B16R2.2335 NC=1C=CN(C2CCC(CO)O2)C(=O)N1 Amb22352189 [1,0,0,0,0,0|1,0,0]=2 14 B16R2.2335 NC=1C=CN([C@@H]2CC[C@H](CO)O2)C(=O)N1 Amb22745292 [1,0,0,0,0,0|1,0,0]=2 15 B16R2.2335 NC=1C=CN([C@@H]2CO[C@H](CO)O2)C(=O)N1 Amb22750665 [1,0,0,0,0,0|0,1,0]=2 16 B16R2.2335 NC=1C=CN([C@@H]2CO[C@H](CO)S2)C(=O)N1 Amb22747874 [1,0,0,0,0,0|0,2,0]=3 17 B16R2.2335 NC=1C=CN([C@@H]2CS[C@H](CO)O2)C(=O)N1 Amb19372824 [1,0,0,0,0,0|0,0,0]=1 18 B16R2.2335 NC=1C=CN([C@@H]2CS[C@H](CO)O2)C(=O)N1 Amb22168064 [1,0,0,0,0,0|0,0,0]=1 19 B16R2.2335 NC=1C=CN([C@H]2CC[C@@H](CO)O2)C(=O)N1 Amb22045224 [1,0,0,0,0,0|1,0,0]=2 20 B16R2.2335 NC=1C=CN([C@H]2CS[C@@H](CO)O2)C(=O)N1 Amb21855909 [1,0,0,0,0,0|0,0,0]=1 21 B16R2.2335 Nc1ccn(c(=O)n1)C2CC[C@H](O2)CO Amb2444071 [1,0,0,0,0,0|1,0,0]=2 22 B16R2.2335 OC[C@@H]1CC[C@@H](O1)N2C=CC(=O)NC2=O Amb22347839 [1,0,0,0,0,0|2,0,1]=4 23 B18R2.165926 CC1=CN([C@@H]2CC(O)[C@H](CO)O2)C(=O)N=C1N Amb22801642 [0,1,0,0,0,0|2,0,0]=3 24 B18R2.165926 CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N Amb20243187 [0,1,0,0,0,0|2,0,0]=3 25 B18R2.165926 NC1=NC(=O)N(C=C1Br)[C@@H]2C[C@@H](O)[C@H](CO)O2 Amb22745174 [0,1,0,0,0,0|1,1,0]=3 26 B18R2.165926 NC1=NC(=O)N(C=C1Cl)C2CC(O)C(CO)O2 Amb22731210 [0,1,0,0,0,0|1,1,0]=3 27 B18R2.165926 NC1=NC(=O)N(C=C1F)C2C[C@H](O)[C@@H](CO)O2 Amb22364414 [0,1,0,0,0,0|1,0,0]=2 28 B18R2.165926 NC1=NC(=O)N(C=C1F)[C@@H]2C[C@@H](O)[C@H](CO)O2 Amb22745263 [0,1,0,0,0,0|1,0,0]=2 29 B18R2.165926 NC1=NC(=O)N(C=C1F)[C@H]2C[C@H](O)[C@@H](CO)O2 Amb20243213 [0,1,0,0,0,0|1,0,0]=2 30 B18R2.165926 NC1=NC(=O)N(C=C1I)C2CC(O)C(CO)O2 Amb19654025 [0,1,0,0,0,0|1,1,0]=3 31 B18R2.165926 NC1=NC(=O)N(C=C1I)[C@H]2C[C@H](O)[C@@H](CO)O2 Amb20240576 [0,1,0,0,0,0|1,1,0]=3 32 B18R2.165926 OC1=NC(=O)N(C=C1I)C2CC(O)C(CO)O2 Amb19802364 [0,1,0,0,0,0|2,1,0]=4 33 B18R2.165926 OC1CC(OC1CO)N2C=C(F)C(=O)NC2=O Amb19514520 [0,1,0,0,0,0|2,0,1]=4 34 B18R2.165926 OCC1OC(CC1O)n2cc(I)c(nc2=O)N Amb2099553 [0,1,0,0,0,0|1,1,0]=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|2,0,1]=4 36 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|2,0,1]=4 37 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|2,0,1]=4 38 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|2,0,1]=4 39 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|2,0,1]=4 40 B15R2.275 Nc1ccc(c[n]1)C2CCC(CO)O2 Amb25347924 [2,0,0,0,0,0|2,0,0]=4 41 B15R2.1153 NC=1C=CN(C2CSC(O)O2)C(=O)N1 Amb22261451 [2,0,0,0,0,0|0,0,0]=2 42 B15R2.1153 NC=1C=CN([C@@H]2CS[C@H](O)O2)C(=O)N1 Amb25175870 [2,0,0,0,0,0|0,0,0]=2 43 B15R2.15599 NC1=NC(=O)N(C=C1Br)C2CCCO2 Amb25065594 [2,0,0,0,0,0|1,1,0]=4 44 B15R2.15599 NC1=NC(=O)N(C=C1F)C2CCNO2 Amb24447040 [2,0,0,0,0,0|2,0,0]=4 45 B15R2.15599 NC1=NC(=O)N(C=C1F)[C@@H]2CCNO2 Amb24427418 [2,0,0,0,0,0|2,0,0]=4 46 B17R2.10947 NC1=NC(=O)N(C=N1)[C@@H]2C[C@H](O)[C@H](CO)O2 Amb19130602 [1,1,0,0,0,0|2,0,0]=4 47 B17R2.10947 NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2 Amb20240580 [1,1,0,0,0,0|2,0,0]=4 48 B17R2.10947 NC=1C=CN(C2CC(O)C(CO)O2)C(=O)N1 Amb18363428 [1,1,0,0,0,0|1,0,0]=3 49 B17R2.10947 NC=1C=CN(C2CC(O)C(CO)O2)C(=O)N1 Amb20665332 [1,1,0,0,0,0|1,0,0]=3 50 B17R2.10947 NC=1C=CN([C@@H]2CC(O)[C@H](CO)O2)C(=O)N1 Amb22800681 [1,1,0,0,0,0|1,0,0]=3 51 B17R2.10947 NC=1C=CN([C@@H]2CC(O)[C@H](CO)O2)C(=O)N1 Amb22801762 [1,1,0,0,0,0|1,0,0]=3 52 B17R2.10947 NC=1C=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)N1 Amb24273748 [1,1,0,0,0,0|1,0,0]=3 53 B17R2.10947 NC=1C=CN([C@@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1 Amb22752774 [1,1,0,0,0,0|1,0,0]=3 54 B17R2.10947 NC=1C=CN([C@@H]2C[C@H](O)[C@H](CO)O2)C(=O)N1 Amb19131511 [1,1,0,0,0,0|1,0,0]=3 55 B17R2.10947 NC=1C=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1 Amb20240537 [1,1,0,0,0,0|1,0,0]=3 56 B17R2.10947 NC=1C=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1 Amb22348235 [1,1,0,0,0,0|1,0,0]=3 57 B17R2.10947 NC=1C=C[15N]([C@@H]2C[C@H](O)[C@H](CO)O2)[13C](=O)[15N]1 Amb19131512 [1,1,0,0,0,0|1,0,0]=3 58 B17R2.10947 OC=1C=CN(C2CC(O)C(CO)O2)C(=O)N1 Amb19803066 [1,1,0,0,0,0|2,0,0]=4 59 B17R2.10947 OCC1OC(CC1O)n2ccc(nc2=O)[NH3+] Amb10553761 [1,1,0,0,0,0|1,0,1]=4 60 B17R2.10947 OC[C@H]1O[C@H](C[C@@H]1N)n2ccc(nc2=O)N Amb16232202 [1,1,0,0,0,0|1,0,0]=3 61 B19R2.279485 NC1=NC(=O)N(C=C1CO)[C@@H]2C[C@@H](O)[C@H](CO)O2 Amb22748281 [0,2,0,0,0,0|2,0,0]=4 62 B19R2.1622678 CC1=CN(C2CC(O)C(CO)O2)C(=O)N=C1NC Amb20666269 [0,2,0,0,0,0|2,0,0]=4 63 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N=C1N Amb19930491 [0,2,0,0,0,0|2,0,0]=4 64 B19R2.3613666 NC1=NC(=O)N(C=C1Br)C2OC(CO)C(O)C2O Amb19802399 [0,2,0,0,0,0|1,1,0]=4 65 B19R2.3613666 NC1=NC(=O)N(C=C1Br)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Amb22746197 [0,2,0,0,0,0|1,1,0]=4 66 B19R2.3613666 NC1=NC(=O)N(C=C1Cl)C2OC(CO)C(O)C2O Amb22350112 [0,2,0,0,0,0|1,1,0]=4 67 B19R2.3613666 NC1=NC(=O)N(C=C1Cl)[C@@H]2O[C@H](CO)C(O)[C@@H]2O Amb19131201 [0,2,0,0,0,0|1,1,0]=4 68 B19R2.3613666 NC1=NC(=O)N(C=C1F)C2OC(CO)C(O)C2O Amb20621268 [0,2,0,0,0,0|1,0,0]=3 69 B19R2.3613666 NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Amb19883992 [0,2,0,0,0,0|1,0,0]=3 70 B19R2.3613666 NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](CO)[C@H](O)C2O Amb19132345 [0,2,0,0,0,0|1,0,0]=3 71 B19R2.3613666 NC1=NC(=O)N(C=C1I)[C@@H]2O[C@H](CO)C(O)[C@@H]2O Amb19132791 [0,2,0,0,0,0|1,1,0]=4 72 B19R2.3613666 NC1=NC(=O)N(C=C1I)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F Amb20240738 [0,2,0,0,0,0|1,1,0]=4 73 B19R2.3613666 NC1=NC(=O)N(C=C1I)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Amb20242410 [0,2,0,0,0,0|1,1,0]=4 74 B19R2.3613666 OC1=NC(=O)N(C=C1F)C2OC(CO)C(O)C2O Amb19803174 [0,2,0,0,0,0|2,0,0]=4