0 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CN(C)N=C1 4034761 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=CN=C(N)O1 4043735 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC1=CNC(C(=O)O)=N1 4401881 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC1=NC(C(=O)O)=CN1 4018371 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CC1=NC(C(=O)O)=CS1 4087997 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 CC1=NC(C(=O)O)=CS1 4400182 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 CC1=NOC(C(=O)O)=C1 4402542 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CN1C=C(C(=O)O)C=N1 4005269 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 CN1C=CC(C(=O)O)=N1 4401286 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 NC(=O)C1=CC(Br)=CS1 9071903 [0,0,0,0,0,0|3,1,0]=4 11 B9R1.35 NC(=O)C1=CC=C(Br)O1 9071676 [0,0,0,0,0,0|3,1,0]=4 12 B9R1.35 NC(=O)C1=CC=C(Br)S1 6131131 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.35 NC(=O)C1=NC(Cl)=NN1 4040265 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 NC(=O)C1=NNC(N)=C1 4036122 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 NC1=CC(C(=O)O)=NN1 4016158 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 O=C(O)C1=CC(Br)=CN1 4029556 [0,0,0,0,0,0|2,1,0]=3 17 B9R1.35 O=C(O)C1=CC(Cl)=CN1 4029972 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.35 O=C(O)C1=CC(Cl)=NO1 4036344 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.35 O=C(O)C1=CC(O)=NO1 4010290 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.35 O=C(O)C1=CC=C(Br)S1 3001713 [0,0,0,0,0,0|2,1,0]=3 21 B9R1.35 O=C(O)C1=CC=C(Cl)O1 4029336 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 O=C(O)C1=CC=C(Cl)S1 3002594 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.35 O=C(O)C1=CN=C(S)N1 7113240 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.35 O=C(O)C1=NNC(Br)=N1 4103273 [0,0,0,0,0,0|3,1,0]=4 25 B9R1.35 O=C(O)C1=NNC(Cl)=N1 4013433 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 O=C1C=C(C(=O)O)NN1 4031886 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 O=C1NC=C(C(=O)O)N1 4004252 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.35 O=C1NN=C(C(=O)O)N1 2402302 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 CC1=CC(C=O)=NN1 4002200 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.1 CC1=CC=C(C=O)N1 4036670 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.1 CC1=NC(CO)=CS1 4016970 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.1 CC1=NOC(C=O)=C1 4034847 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.1 CN1C=CC(C=O)=C1 4300823 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.1 O=CC1=CC(Br)=CN1 4004367 [1,0,0,0,0,0|2,1,0]=4 35 B8R1.1 OCC1=CSC(Br)=N1 4030768 [1,0,0,0,0,0|1,1,1]=4 36 B8R1.7 CC(N)C1=CSC=C1 4100800 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.7 O=C(O)C1=CC=NS1 4031031 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.7 O=C(O)C1=CN=NN1 4401560 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 O=C(O)C1=CSC=N1 2402329 [1,0,0,0,0,0|1,0,0]=2 40 B8R1.7 O=C(O)C1=CSN=C1 4402356 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.7 O=C(O)C1=NNC=C1 3001705 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.7 O=C(O)C1=NOC=C1 2402252 [1,0,0,0,0,0|1,1,0]=3 43 B8R1.7 O=C(O)C1=NON=C1 4401609 [1,0,0,0,0,0|2,1,0]=4 44 B10R1.14 COC(=O)C1=CC(Br)=NO1 4110577 [0,1,0,0,0,0|2,1,0]=4 45 B10R1.14 COC(=O)C1=NC(Cl)=NN1 4035581 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.14 COC(=O)C1=NNC(N)=C1 4040251 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.31 C=CN1C=C(C(=O)O)C=N1 4028151 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.31 CC(=O)C1=CC(CCl)=CS1 4003189 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.31 CCC1=CC(C(=O)O)=NO1 4402580 [0,1,0,0,0,0|2,1,0]=4 50 B10R1.31 CCC1=CC=C(C(=O)O)S1 4402392 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.31 CCC1=NNC(C(=O)O)=C1 4003315 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.31 CCC1=NOC(C(=O)O)=C1 4402567 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.31 CCN1C=C(C(=O)O)C=N1 4003135 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.31 CNC1=NC(C(=O)O)=CS1 4036176 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.31 CSC1=NC(C(=O)O)=CS1 4402639 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.31 N#CC1=CNC(C(=O)O)=C1 4045693 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.31 NCC1=CC=C(C(=O)O)O1 4141271 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.31 NCC1=CC=C(C(=O)O)S1 4003254 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.31 O=C(O)C1=CC=C(CO)O1 4004044 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 5107408 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 4028825 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 4088023 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 9072017 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 4047669 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.59 CC1=C(C(=O)O)NC(N)=N1 4035484 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 4040661 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 4141810 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 3002948 [0,1,0,0,0,0|1,1,0]=3 69 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 4032427 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.59 CC1=NC(C(=O)O)=C(C)N1 4044986 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 4401488 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 4400228 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.59 CC1=NN(C)C=C1C(=O)O 4030471 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.59 CN1C=C(C(=O)O)C(N)=N1 4049817 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.59 CN1C=C(Cl)C=C1C(=O)O 4045702 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.194 CC1=C(C(=O)O)C=CN1C 4045412 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.194 CC1=C(C(=O)O)C=NN1C 4003644 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.194 CC1=NNC(C(=O)O)=C1Br 4013432 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.194 CC1=NNC(C(=O)O)=C1Cl 4041494 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.194 CN1C(C(=O)O)=CN=C1Br 4038952 [0,1,0,0,0,0|2,1,0]=4 81 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4025309 [0,0,0,0,0,1|2,0,0]=3 83 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4087896 [0,0,0,0,0,1|2,0,0]=3 84 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4089129 [0,0,0,0,0,1|2,0,1]=4 85 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4201816 [0,0,0,0,0,1|2,0,1]=4 86 B10R1.54 CC1=NC(CC(=O)O)=CS1 4400881 [0,0,0,0,0,1|2,0,0]=3 87 B10R1.54 NC(=O)CC1=CSC(N)=N1 4031388 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 4031737 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.113 CC1=NC(C(=O)O)=CC=N1 4029632 [0,0,0,0,0,1|3,0,0]=4 90 B10R1.113 NC(=O)C1=CC(I)=NC=C1 4030202 [0,0,0,0,0,1|2,1,0]=4 91 B10R1.113 NC(=O)C1=CN=CC(O)=C1 5511865 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.113 NC(=O)C1=NC(Cl)=CN=C1 4035919 [0,0,0,0,0,1|3,0,0]=4 93 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4015121 [0,0,0,0,0,1|2,0,0]=3 94 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4089569 [0,0,0,0,0,1|2,0,0]=3 95 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 4108289 [0,0,0,0,0,1|1,0,0]=2 96 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 4028732 [0,0,0,0,0,1|2,0,0]=3 97 B7R1.1 NCC1=CSC=C1 4089439 [2,0,0,0,0,0|1,0,1]=4 98 B7R1.1 NCC1=CSC=C1 4100798 [2,0,0,0,0,0|1,0,1]=4 99 B9R1.21 N#CC1=CC(C=O)=CN1 4045511 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.21 O=CC1=CC(CCl)=CS1 4035342 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.22 CC1=CC(C=O)=C(C)N1 4027546 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.11 COC(=O)C1=NNC=C1 4027720 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.41 CC1=C(C(=O)O)C=CN1 4043878 [1,1,0,0,0,0|1,0,0]=3 104 B9R1.41 CC1=C(C(=O)O)C=NO1 3001678 [1,1,0,0,0,0|1,1,0]=4 105 B9R1.41 CC1=C(C(=O)O)N=CN1 4108169 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.41 CC1=C(C(=O)O)N=CN1 4402344 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.41 CC1=C(C(=O)O)N=CO1 4015603 [1,1,0,0,0,0|1,1,0]=4 108 B9R1.41 CC1=C(C(=O)O)SC=N1 4402151 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.41 CC1=NSN=C1C(=O)O 4040150 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.41 CN1N=CC=C1C(=O)O 4401287 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.41 NC1=C(C(=O)O)C=NN1 6690708 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.41 NC1=CSN=C1C(=O)O 4108475 [1,1,0,0,0,0|1,0,0]=3 113 B9R1.41 NC1=NSC=C1C(=O)O 4047031 [1,1,0,0,0,0|1,0,0]=3 114 B9R1.41 O=C(O)C1=C(Br)C=NN1 4029787 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.41 O=C(O)C1=NNC=C1Cl 4029915 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 4032345 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 4025310 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 4025320 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.3 COC1=NC=C(C(=O)O)C=N1 4016813 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 4016801 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 4035889 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4041103 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.21 CN1C=C(C(=O)O)C=CC1=O 4022851 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 4001614 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.21 O=C(O)C1=CC(O)=C(O)C=N1 4001616 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl 4029816 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 4002882 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4400687 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 4019260 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.166 CC1=NC(N)=NC=C1C(=O)O 4030807 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.166 CC1=NC(O)=C(C(=O)O)C=N1 4108285 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.166 CC1=NC=C(C(=O)O)C(=O)N1 4030825 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N 4033628 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.166 NC1=NC(O)=NC=C1C(=O)O 4028564 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 4041390 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.23 CNC(=O)C1=CC(Cl)=NC=C1 4027632 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.23 COC(=O)C1=CC(N)=NC=C1 4015127 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 4028395 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.23 COC(=O)C1=NC=NC(Cl)=C1 4066002 [0,1,0,0,0,1|1,0,0]=3 140 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 4045249 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.74 CC1=CC(=O)C=C(C(=O)O)O1 4045251 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 4088020 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 7556668 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.74 CC1=CC(C(=O)O)=NC(C)=N1 4002748 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.74 CC1=CC(C(=O)O)=NC(N)=N1 4004177 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.167 CC1=CC(C(=O)O)=C(O)C=N1 4066855 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 4004240 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 4088790 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.225 CCC(=O)C1=C(C)SC(C)=C1 4012560 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 4141722 [0,2,0,0,0,0|1,0,0]=3 151 B11R1.124 CCCC1=NC(C(=O)O)=CS1 4025712 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.175 CC(=O)C1=CC(C(=O)O)=CS1 4003187 [0,2,0,0,0,0|1,0,0]=3 153 B11R1.175 CC(C)C1=NC(C(=O)O)=CS1 4003979 [0,2,0,0,0,0|2,0,0]=4 154 B11R1.673 CC1=C(C)C(C(=O)O)=C(N)S1 4024953 [0,2,0,0,0,0|1,0,0]=3 155 B11R1.673 CC1=C(C)C(C(N)=O)=C(N)S1 4133060 [0,2,0,0,0,0|2,0,0]=4 156 B9R1.2 O=CC1=CC(Br)=CN=C1 4011095 [1,0,0,0,0,1|1,1,0]=4 157 B9R1.2 OCC1=CC(Cl)=NC=C1 4031779 [1,0,0,0,0,1|1,0,1]=4 158 B9R1.2 OCC1=NC=CC(Cl)=C1 4014670 [1,0,0,0,0,1|1,0,1]=4 159 B9R1.13 O=C(O)CC1=CC=NN1 4004807 [1,0,0,0,0,1|2,0,0]=4 160 B9R1.13 O=C(O)CC1=CSC=N1 2402341 [1,0,0,0,0,1|1,0,0]=3 161 B9R1.13 O=C(O)CN1C=CC=C1 4027952 [1,0,0,0,0,1|2,0,0]=4 162 B9R1.13 O=C(O)CN1C=CN=C1 4400175 [1,0,0,0,0,1|2,0,0]=4 163 B11R1.75 CC1=NC(CCC(=O)O)=CS1 4014755 [0,0,0,0,0,2|2,0,0]=4 164 B11R1.75 NC1=NC(CCC(=O)O)=CS1 4013562 [0,0,0,0,0,2|2,0,0]=4 165 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 4002889 [0,0,0,0,0,2|2,0,0]=4