0 B18R2.165926 C1C(C(OC1N2C=C(C(=NC2=O)N)Br)CO)O B122929 [0,0,0,0,0,0|2,0,1]=3 1 B18R2.165926 C1C(C(OC1N2C=C(C(=NC2=O)N)Cl)CO)O C349859 [0,0,0,0,0,0|2,0,1]=3 2 B18R2.165926 C1C(C(OC1N2C=C(C(=NC2=O)N)F)CO)O F118567 [0,0,0,0,0,0|2,0,1]=3 3 B18R2.165926 C1C(C(OC1N2C=C(C(=NC2=O)N)I)CO)O I119526 [0,0,0,0,0,0|2,0,1]=3 4 B18R2.165926 C1C(C(OC1N2C=C(C(=O)NC2=O)Br)CO)O B110731 [0,0,0,0,0,0|1,0,0]=1 5 B18R2.165926 C1C(C(OC1N2C=C(C(=O)NC2=O)Br)CO)O B424934 [0,0,0,0,0,0|1,0,0]=1 6 B18R2.165926 C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O F110732 [0,0,0,0,0,0|1,0,0]=1 7 B18R2.165926 C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O I101755 [0,0,0,0,0,0|1,0,0]=1 8 B18R2.165926 C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O I424638 [0,0,0,0,0,0|1,0,0]=1 9 B18R2.165926 CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O D122897 [0,0,0,0,0,0|1,0,1]=2 10 B18R2.165926 CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O D426177 [0,0,0,0,0,0|1,0,1]=2 11 B18R2.165926 CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O M355890 [0,0,0,0,0,0|1,0,1]=2 12 B18R2.165926 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CI)O D341386 [0,0,0,0,0,0|1,0,0]=1 13 B18R2.165926 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)F D132868 [0,0,0,0,0,0|1,0,0]=1 14 B18R2.165926 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N A122927 [0,0,0,0,0,0|1,0,0]=1 15 B18R2.165926 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O T104771 [0,0,0,0,0,0|0,0,0]=0 16 B18R2.165926 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O T129668 [0,0,0,0,0,0|0,0,0]=0 17 B18R2.165926 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O T349612 [0,0,0,0,0,0|0,0,0]=0 18 B18R2.165926 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O T423497 [0,0,0,0,0,0|0,0,0]=0 19 B18R2.165926 CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O T407939 [0,0,0,0,0,0|0,0,0]=0 20 B18R2.165926 OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O F408736 [0,0,0,0,0,0|1,0,0]=1 21 B17R2.10947 C1C(C(OC1N2C=CC(=NC2=O)N)CO)O D104773 [1,0,0,0,0,0|1,0,1]=3 22 B17R2.10947 C1C(C(OC1N2C=CC(=NC2=O)N)CO)O D121845 [1,0,0,0,0,0|1,0,1]=3 23 B17R2.10947 C1C(C(OC1N2C=CC(=O)NC2=O)CO)F D357191 [1,0,0,0,0,0|1,0,0]=2 24 B17R2.10947 C1C(C(OC1N2C=CC(=O)NC2=O)CO)O D100363 [1,0,0,0,0,0|0,0,0]=1 25 B17R2.10947 C1C(C(OC1N2C=CC(=O)NC2=O)CO)O D338781 [1,0,0,0,0,0|0,0,0]=1 26 B17R2.10947 C1C(C(OC1N2C=CC(=O)NC2=O)CO)O D427065 [1,0,0,0,0,0|0,0,0]=1 27 B17R2.10947 C1C(C(OC1N2C=NC(=NC2=O)N)CO)O A119533 [1,0,0,0,0,0|2,0,1]=4 28 B17R2.10947 C1CN(C(=O)NC1=O)C2CC(C(O2)CO)O D333228 [1,0,0,0,0,0|0,0,2]=3 29 B17R2.10947 NC1=NC(=O)N(C=N1)C2CC(O)C(CO)O2 D408747 [1,0,0,0,0,0|2,0,1]=4 30 B17R2.42384 CC1C(CC(O1)N2C=C(C(=O)NC2=O)C)O D349614 [1,0,0,0,0,0|0,0,0]=1 31 B17R2.96300 C1C(OC(S1)CO)N2C=C(C(=O)NC2=O)F C345132 [1,0,0,0,0,0|2,0,0]=3 32 B17R2.96300 C1CC(OC1CO)N2C=C(C(=O)NC2=O)I D468554 [1,0,0,0,0,0|1,0,0]=2 33 B17R2.96300 CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO S129783 [1,0,0,0,0,0|0,0,2]=3 34 B17R2.96300 CC1=CN(C(=O)NC1=O)C2CCC(O2)CO D119468 [1,0,0,0,0,0|0,0,0]=1 35 B17R2.96300 CC1=CN(C2OC(CO)C=C2)C(=O)NC1=O S407803 [1,0,0,0,0,0|0,0,2]=3 36 B19R2.279485 C#CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O E156345 [0,1,0,0,0,0|1,0,2]=4 37 B19R2.279485 C#CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O E131265 [0,1,0,0,0,0|0,0,1]=2 38 B19R2.279485 C#CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O E425062 [0,1,0,0,0,0|0,0,1]=2 39 B19R2.279485 C1C(C(OC1N2C=C(C(=NC2=O)N)CO)CO)O H276536 [0,1,0,0,0,0|1,0,1]=3 40 B19R2.3613666 C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)Cl C333663 [0,1,0,0,0,0|2,0,1]=4 41 B19R2.3613666 C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F F103232 [0,1,0,0,0,0|2,0,1]=4 42 B19R2.3613666 C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)I I122936 [0,1,0,0,0,0|2,0,1]=4 43 B19R2.3613666 C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)F)I D122949 [0,1,0,0,0,0|1,0,0]=2 44 B19R2.3613666 C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)Br B122934 [0,1,0,0,0,0|1,0,0]=2 45 B19R2.3613666 C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F F169520 [0,1,0,0,0,0|1,0,0]=2 46 B19R2.3613666 C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)I I119472 [0,1,0,0,0,0|1,0,0]=2 47 B19R2.3613666 CC1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O M168577 [0,1,0,0,0,0|1,0,1]=3 48 B19R2.3613666 CC1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O M422586 [0,1,0,0,0,0|1,0,1]=3 49 B19R2.3613666 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F C129367 [0,1,0,0,0,0|0,0,0]=1 50 B19R2.3613666 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F C422005 [0,1,0,0,0,0|0,0,0]=1 51 B19R2.3613666 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F D337123 [0,1,0,0,0,0|0,0,0]=1 52 B19R2.3613666 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O M101429 [0,1,0,0,0,0|0,0,0]=1 53 B19R2.3613666 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O M421691 [0,1,0,0,0,0|0,0,0]=1 54 B19R2.3613666 CC1=CN(C(=S)NC1=O)C2C(C(C(O2)CO)O)O M350280 [0,1,0,0,0,0|0,1,0]=2 55 B19R2.3613666 CN1C=C(C(=O)NC1=O)C2C(C(C(O2)CO)O)O N276158 [0,1,0,0,0,0|2,0,0]=3 56 B19R3.12958058 CC1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O A119512 [0,0,0,1,0,0|0,0,2]=3 57 B16R2.2335 C1CC(OC1CO)N2C=CC(=NC2=O)N D119514 [2,0,0,0,0,0|1,0,1]=4 58 B16R2.2335 C1CC(OC1CO)N2C=CC(=O)NC2=O D119469 [2,0,0,0,0,0|0,0,0]=2 59 B16R2.2335 NC1=NC(=O)N(C=C1)C2CCC(CO)O2 Z408778 [2,0,0,0,0,0|1,0,1]=4 60 B18R2.16852 C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)CO)O)O P302888 [1,1,0,0,0,0|2,0,0]=4 61 B18R2.16852 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F F119524 [1,1,0,0,0,0|1,0,1]=4 62 B18R2.16852 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O C100358 [1,1,0,0,0,0|1,0,1]=4 63 B18R2.16852 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O C100359 [1,1,0,0,0,0|1,0,1]=4 64 B18R2.16852 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O C111218 [1,1,0,0,0,0|1,0,1]=4 65 B18R2.16852 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O C139195 [1,1,0,0,0,0|1,0,1]=4 66 B18R2.16852 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O C348905 [1,1,0,0,0,0|1,0,1]=4 67 B18R2.16852 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O C425580 [1,1,0,0,0,0|1,0,1]=4 68 B18R2.16852 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O L355049 [1,1,0,0,0,0|1,0,1]=4 69 B18R2.16852 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)Br B122939 [1,1,0,0,0,0|0,0,0]=2 70 B18R2.16852 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)Br B339057 [1,1,0,0,0,0|0,0,0]=2 71 B18R2.16852 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)Cl C331286 [1,1,0,0,0,0|0,0,0]=2 72 B18R2.16852 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F D119525 [1,1,0,0,0,0|0,0,0]=2 73 B18R2.16852 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)N A122920 [1,1,0,0,0,0|0,0,0]=2 74 B18R2.16852 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O S192407 [1,1,0,0,0,0|0,0,0]=2 75 B18R2.16852 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O U101145 [1,1,0,0,0,0|0,0,0]=2 76 B18R2.16852 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O U108810 [1,1,0,0,0,0|0,0,0]=2 77 B18R2.16852 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O U108811 [1,1,0,0,0,0|0,0,0]=2 78 B18R2.16852 C1=CN(C(=O)NC1=S)C2C(C(C(O2)CO)O)O T122953 [1,1,0,0,0,0|0,1,0]=3 79 B18R2.16852 NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O C408830 [1,1,0,0,0,0|1,0,1]=4 80 B18R2.16852 NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O C409115 [1,1,0,0,0,0|1,0,1]=4 81 B18R2.16852 OCC1OC(C(O)C1O)N2C=CC(=O)NC2=O U408901 [1,1,0,0,0,0|0,0,0]=2 82 B18R2.66696 CC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O)O D155744 [1,1,0,0,0,0|1,0,0]=3 83 B18R2.66696 CC1OC(C(O)C1O)N2C=C(F)C(=O)NC2=O D407883 [1,1,0,0,0,0|1,0,0]=3 84 B18R2.168088 CC1=CN(C(=O)NC1=O)C2C(CC(O2)CO)O D349865 [1,1,0,0,0,0|0,0,0]=2 85 B20R2.1903572 C#CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O E276476 [0,2,0,0,0,0|0,0,1]=3 86 B20R2.1903572 C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)CO H343530 [0,2,0,0,0,0|1,0,1]=4 87 B20R2.3200064 C1C(C(OC1N2C=C(C(=O)NC2=O)C=CBr)CO)O E425551 [0,2,0,0,0,0|0,0,1]=3 88 B20R2.3200064 C1C(C(OC1N2C=C(C(=O)NC2=O)C=CBr)CO)O I137677 [0,2,0,0,0,0|0,0,1]=3 89 B20R2.11267199 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-] A122924 [0,2,0,0,0,0|1,0,0]=3 90 B20R2.11267199 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-] A423162 [0,2,0,0,0,0|1,0,0]=3 91 B18R3.199977 C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O C101432 [1,0,0,1,0,0|0,0,2]=4 92 B18R3.199977 C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O O423682 [1,0,0,1,0,0|0,0,2]=4