0 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 4028825 [0,0,0,0,0,0|1,1,0]=2 1 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 4088023 [0,0,0,0,0,0|2,1,0]=3 2 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 9072017 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.59 CC(=O)C1=CN(C)N=C1C 4087767 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 4047669 [0,0,0,0,0,0|3,1,0]=4 5 B10R1.59 CC1=C(C(=O)O)NC(N)=N1 4035484 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 4040661 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 4141810 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 3002948 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 4032427 [0,0,0,0,0,0|2,1,0]=3 10 B10R1.59 CC1=NC(C(=O)O)=C(C)N1 4044986 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.59 CC1=NC(C(C)N)=C(C)S1 4102468 [0,0,0,0,0,0|2,1,1]=4 12 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 4401488 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 4400228 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.59 CC1=NN(C)C=C1C(=O)O 4030471 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.59 CN1C=C(C(=O)O)C(N)=N1 4049817 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.59 CN1C=C(Cl)C=C1C(=O)O 4045702 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.22 CC1=CC(C#N)=C(C)N1 4042899 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.22 CC1=CC(C=O)=C(C)N1 4027546 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.22 CC1=CC(CO)=C(C)O1 4034575 [1,0,0,0,0,0|0,0,2]=3 20 B9R1.22 CC1=NN(C)C=C1C=O 4300328 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.35 CC(=O)C1=CN(C)N=C1 4034761 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.35 CC(=O)C1=CN=C(N)O1 4043735 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.35 CC(=O)C1=NC(C)=CN1 4041054 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.35 CC1=NC(C(=O)O)=CN1 4018371 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.35 CC1=NC(C(=O)O)=CS1 4087997 [1,0,0,0,0,0|2,1,0]=4 27 B9R1.35 CC1=NC(C(=O)O)=CS1 4400182 [1,0,0,0,0,0|2,1,0]=4 28 B9R1.35 CC1=NOC(C(=O)O)=C1 4402542 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.35 CN1C=C(C(=O)O)C=N1 4005269 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.41 CC(=O)C1=C(C)N=CS1 4006179 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.41 CC(=O)C1=C(C)NN=C1 4017057 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.41 CC(=O)C1=CC=NN1C 4030373 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.41 CC(=O)C1=NC=NN1C 4026611 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.41 CC(=O)C1=NON=C1C 4031228 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.41 CC1=C(C(=O)O)C=CN1 4043878 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.41 CC1=C(C(=O)O)C=NO1 3001678 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.41 CC1=C(C(=O)O)N=CN1 4108169 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.41 CC1=C(C(=O)O)N=CN1 4402344 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.41 CC1=C(C(=O)O)N=CO1 4015603 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.41 CC1=C(C(=O)O)SC=N1 4402151 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.41 CN1N=CC=C1C(=O)O 4401287 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 4033750 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.50 CCC1=NC(C)=C(C(=O)O)O1 4015617 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.50 CCC1=NC(C)=C(C(=O)O)S1 4025717 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.50 CCC1=NN(C)C(C(=O)O)=C1 4402465 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.50 CCN1C=C(C(=O)O)C(C)=N1 4028311 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.50 COC1=NC(C)=C(C(=O)O)S1 4029473 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.225 CC1=NC(C)=C(C(=O)NN)O1 4035837 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.225 CCC(=O)C1=C(C)SC(C)=C1 4012560 [0,1,0,0,0,0|0,1,0]=2 50 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 4141722 [0,1,0,0,0,0|1,1,0]=3 51 B11R1.673 CC(=O)C1=C(C)N(C)N=C1C 4002435 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.673 CC1=C(C)C(C(=O)O)=C(N)S1 4024953 [0,1,0,0,0,0|2,1,0]=4 53 B11R1.673 CC1=C(C)C(C(N)=O)=C(N)S1 4133060 [0,1,0,0,0,0|2,1,0]=4 54 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl 4040780 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.673 CC1=NN(C)C(N)=C1C(N)=O 4042787 [0,1,0,0,0,0|3,0,0]=4 56 B9R0.48 C=C(C)\C=C\C(=O)OCC 4074677 [0,0,1,0,0,0|2,0,1]=4 57 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 4045249 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.74 CC1=CC(=O)C=C(C(=O)O)O1 4045251 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 4088020 [0,0,0,0,0,1|2,0,0]=3 60 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 7556668 [0,0,0,0,0,1|2,0,0]=3 61 B11R1.74 CC1=CC(C(=O)O)=NC(C)=N1 4002748 [0,0,0,0,0,1|2,0,0]=3 62 B11R1.74 CC1=CC(C(=O)O)=NC(N)=N1 4004177 [0,0,0,0,0,1|3,0,0]=4 63 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl 4029816 [0,0,0,0,0,1|3,0,0]=4 64 B11R1.166 CC(=O)C1=CNC(=O)N=C1C 4033476 [0,0,0,0,0,1|2,0,0]=3 65 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 4002882 [0,0,0,0,0,1|3,0,0]=4 66 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4400687 [0,0,0,0,0,1|2,0,0]=3 67 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 4019260 [0,0,0,0,0,1|2,0,0]=3 68 B11R1.166 CC1=NC(N)=NC=C1C(=O)O 4030807 [0,0,0,0,0,1|3,0,0]=4 69 B11R1.166 CC1=NC(O)=C(C(=O)O)C=N1 4108285 [0,0,0,0,0,1|3,0,0]=4 70 B11R1.166 CC1=NC=C(C(=O)O)C(=O)N1 4030825 [0,0,0,0,0,1|3,0,0]=4 71 B11R1.167 CC1=CC(C(=O)O)=C(O)C=N1 4066855 [0,0,0,0,0,1|3,0,0]=4 72 B11R1.167 CC1=CC=C(C)C(C(C)N)=C1 4003778 [0,0,0,0,0,1|2,0,1]=4 73 B11R1.167 CC1=CC=C(C)C([C@@H](C)N)=C1 4107485 [0,0,0,0,0,1|2,0,1]=4 74 B11R1.167 CC1=CC=C(C)C([C@H](C)N)=C1 4101576 [0,0,0,0,0,1|2,0,1]=4 75 B11R1.645 CC(=O)CN1N=C(C)C=C1C 4004439 [0,0,0,0,0,1|3,0,0]=4 76 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 4402640 [0,0,0,0,0,1|3,0,0]=4 77 B11R1.645 CC1=NN(C)C=C1CC(=O)O 4040478 [0,0,0,0,0,1|3,0,0]=4 78 B8R1.1 CC1=CC(C=O)=NN1 4002200 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.1 CC1=CC=C(C=O)N1 4036670 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.1 CC1=NOC(C=O)=C1 4034847 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.1 CN1C=CC(C=O)=C1 4300823 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.11 CC1=C(C=O)SC=N1 3001799 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.18 CC1=C(C)OC(=O)N1 4044048 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.18 CC1=C(C)OC(N)=N1 4030804 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.7 O=C(O)C1=NOC=C1 2402252 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.34 CC1=CC(C=O)=C(C)N1C 4032420 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.256 CC1=C(C)C(C=O)=C(C)N1 4035097 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.14 CC1=NC(C(=O)NN)=CO1 4035199 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.14 CCC(=O)C1=CC=C(C)S1 4303052 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.31 CC(=O)C1=CC(CCl)=CS1 4003189 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.31 CCC1=CC(C(=O)O)=NO1 4402580 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.39 CCC1=C(C(=O)O)C=NO1 4043511 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.39 CCC1=C(C(=O)O)N=CO1 4015604 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.149 CC1=C(C(=O)NN)C=CO1 3000098 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.149 CC1=C(C(=O)NN)N=CO1 4042658 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.149 CCC(=O)C1=CC=NN1C 4025891 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.149 COC(=O)C1=C(C)NC=N1 4108201 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.149 COC(=O)C1=C(N)ON=C1 4010434 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.192 CC(=O)C1=C(Br)C=NN1C 4030024 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.192 CC(=O)C1=C(C)NN=C1C 4300300 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.192 CC(=O)C1=C(N)NN=C1C 4043949 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.192 CC(=O)C1=C(N)SN=C1C 4031562 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.192 CC(=O)C1=C(N)SN=C1C 4090921 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.358 CC1=CC(C)=CC(C(=O)NN)=C1 3014933 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.1000 CC1=CC(=O)C(C(=O)O)=C(C)N1 4041457 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(=O)N1 4013458 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(Cl)=N1 4042108 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.1703 CC1=NC(C)=C(C(=O)NN)C=N1 4043838 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.1703 CCC(=O)C1=CC=C(C)C=C1C 4303057 [0,1,0,0,0,1|1,0,0]=3 110 B12R1.46 COC1=C(C(=O)O)C=C(C)N=C1 4053737 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.354 CC1=CC=C(C)C(C(=O)CCl)=C1 4033225 [0,1,0,0,0,1|1,0,0]=3 112 B12R1.354 CCC(=O)C1=CC(C)=CC=C1C 4303056 [0,1,0,0,0,1|1,0,0]=3 113 B12R1.532 CC1=NN(C)C=C1NC(=O)CCl 4029832 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.277 CCCN1C=C(C(C)=O)C(C)=N1 4009476 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.608 CCC1=CC(C(=O)OC)=C(N)S1 4142352 [0,2,0,0,0,0|1,1,0]=4 116 B12R1.1979 CCN1N=C(C)C(C(C)=O)=C1C 4017060 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.313 CCCC(=O)C1=C(C)SC(C)=C1 4012561 [0,2,0,0,0,0|0,1,0]=3 118 B12R1.313 CCOC(=O)C1=C(N)SC(C)=C1 4143064 [0,2,0,0,0,0|1,1,0]=4 119 B12R1.3443 COC(=O)C1=C(Br)C(C)=NN1C 4045491 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.699 CCN1C(C)=CC(C(=O)O)=C1C 4028474 [0,2,0,0,0,0|2,0,0]=4 121 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 4045631 [0,0,0,1,0,1|2,0,0]=4 122 B12R2.202 CC1=CC2=C(CCCC2=O)O1 4004753 [0,1,0,1,0,0|0,0,0]=2 123 B12R2.202 CC1=CC2=C(CCCC2=O)O1 4087819 [0,1,0,1,0,0|0,0,0]=2 124 B10R1.8 CC1=NC(C=O)=CC(O)=N1 4110683 [1,0,0,0,0,1|2,0,0]=4 125 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [1,0,0,0,0,1|2,0,0]=4 126 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [1,0,0,0,0,1|1,0,0]=3 127 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4025309 [1,0,0,0,0,1|2,0,0]=4 128 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4087896 [1,0,0,0,0,1|2,0,0]=4 129 B12R1.233 CC(=O)NC1=C(O)C=C(C)C=C1 4032446 [0,0,0,0,0,2|2,0,0]=4 130 B12R1.233 CC(=O)NC1=CC=C(C)C=C1N 4028039 [0,0,0,0,0,2|2,0,0]=4