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)O1 4043735 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.35 CC(=O)C1=NC(C)=CN1 4041054 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC1=CC=C(C(=N)N)O1 4042651 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.35 CC1=CNC(C(=O)O)=N1 4401881 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CC1=NC(C(=O)O)=CN1 4018371 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC1=NC(C(=O)O)=CS1 4087997 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CC1=NC(C(=O)O)=CS1 4400182 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CC1=NOC(C(=O)O)=C1 4402542 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 CN1C=C(C(=O)O)C=N1 4005269 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 CN1C=CC(C(=O)O)=N1 4401286 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 CN1C=NC(C(=O)O)=N1 4110445 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 NC(=O)C1=CC(Br)=CS1 9071903 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.35 NC(=O)C1=CC=C(Br)O1 9071676 [0,0,0,0,0,0|1,2,0]=3 14 B9R1.35 NC(=O)C1=CC=C(Br)S1 6131131 [0,0,0,0,0,0|1,1,0]=2 15 B9R1.35 NC(=O)C1=NC(Cl)=NN1 4040265 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 NC1=CC(C(=O)O)=NN1 4016158 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 O=C(O)C1=CC(Br)=CN1 4029556 [0,0,0,0,0,0|2,1,0]=3 18 B9R1.35 O=C(O)C1=CC(Cl)=CN1 4029972 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.35 O=C(O)C1=CC(Cl)=NO1 4036344 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.35 O=C(O)C1=CC(O)=NO1 4010290 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 O=C(O)C1=CC=C(Br)S1 3001713 [0,0,0,0,0,0|0,1,0]=1 22 B9R1.35 O=C(O)C1=CC=C(Cl)O1 4029336 [0,0,0,0,0,0|0,1,0]=1 23 B9R1.35 O=C(O)C1=CC=C(Cl)S1 3002594 [0,0,0,0,0,0|0,0,0]=0 24 B9R1.35 O=C(O)C1=CN=C(S)N1 7113240 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.35 O=C(O)C1=NNC(Br)=N1 4103273 [0,0,0,0,0,0|3,1,0]=4 26 B9R1.35 O=C(O)C1=NNC(Cl)=N1 4013433 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 O=C1C=C(C(=O)O)NN1 4031886 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 O=C1NC=C(C(=O)O)N1 4004252 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.35 O=C1NN=C(C(=O)O)N1 2402302 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 CC1=CC=C(C=O)N1 4036670 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.1 CC1=CC=C(CN)S1 4100660 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.1 CC1=CNC(C=O)=N1 4301882 [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 NCC1=CC=C(Br)S1 4089738 [1,0,0,0,0,0|1,1,1]=4 35 B8R1.1 NCC1=CC=C(Br)S1 4191314 [1,0,0,0,0,0|1,1,1]=4 36 B8R1.1 O=CC1=CC(Br)=CN1 4004367 [1,0,0,0,0,0|2,1,0]=4 37 B8R1.7 CC(=O)C1=NC=CN1 4040695 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 CC(N)C1=CC=CS1 4100658 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.7 N=C(N)C1=CC=CO1 4030998 [1,0,0,0,0,0|2,1,0]=4 40 B8R1.7 O=C(O)C1=CC=NS1 4031031 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.7 O=C(O)C1=CN=NN1 4401560 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 O=C(O)C1=CSC=N1 2402329 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.7 O=C(O)C1=CSN=C1 4402356 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.7 O=C(O)C1=NNC=C1 3001705 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.7 O=C(O)C1=NOC=C1 2402252 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.7 O=C(O)C1=NON=C1 4401609 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.14 CC1=CC=C(C(=O)NN)O1 4043578 [0,1,0,0,0,0|2,1,0]=4 48 B10R1.14 CC1=CC=C(\C(N)=N\O)O1 4042580 [0,1,0,0,0,0|2,1,0]=4 49 B10R1.14 CCC(=O)C1=CC=C(Br)S1 4303054 [0,1,0,0,0,0|1,1,0]=3 50 B10R1.14 CCC(=O)C1=CC=C(C)S1 4303052 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.14 CNC(=O)C1=CC=C(Br)O1 7344619 [0,1,0,0,0,0|1,2,0]=4 52 B10R1.14 CNC(=O)C1=CC=C(Br)S1 9071495 [0,1,0,0,0,0|1,1,0]=3 53 B10R1.14 COC(=O)C1=NC(Cl)=NN1 4035581 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.31 CC(=O)C1=CC(CCl)=CS1 4003189 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.31 CCC1=CC=C(C(=O)O)S1 4402392 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.31 CCN1C=CC(C(=O)O)=N1 4029168 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.31 CNC1=NC(C(=O)O)=CS1 4036176 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.31 CSC1=NC(C(=O)O)=CS1 4402639 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.31 N#CC1=CNC(C(=O)O)=C1 4045693 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.31 NCC1=CC=C(C(=O)O)O1 4141271 [0,1,0,0,0,0|1,1,0]=3 61 B10R1.31 NCC1=CC=C(C(=O)O)S1 4003254 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.31 O=C(O)C1=CC=C(CO)O1 4004044 [0,1,0,0,0,0|1,1,0]=3 63 B10R1.55 CC1=CC=C(S(=O)(=O)Cl)S1 4004665 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 5107408 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 4047669 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.59 CC1=C(C(=O)O)NC(N)=N1 4035484 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 4040661 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 4141810 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 3002948 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 4032427 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.59 CC1=NC(C(=O)O)=C(C)N1 4044986 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 4401488 [0,1,0,0,0,0|2,1,0]=4 73 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 4031778 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.59 CN1C=C(Cl)C=C1C(=O)O 4045702 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.194 CC1=C(C(=O)O)C=CN1C 4045412 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.194 CN1C(C(=O)O)=CN=C1Br 4038952 [0,1,0,0,0,0|2,1,0]=4 77 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4025309 [0,0,0,0,0,1|3,0,0]=4 79 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4087896 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4089129 [0,0,0,0,0,1|2,0,1]=4 81 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4201816 [0,0,0,0,0,1|2,0,1]=4 82 B10R1.54 CC1=NC(CC(=O)O)=CS1 4400881 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.54 CC1=NN(CC(=O)O)C=C1 4400226 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 4031737 [0,0,0,0,0,1|2,0,0]=3 85 B10R1.113 CC1=NC(C(=O)O)=CC=N1 4029632 [0,0,0,0,0,1|2,0,0]=3 86 B10R1.113 NC(=O)C1=CC(I)=NC=C1 4030202 [0,0,0,0,0,1|2,1,0]=4 87 B10R1.113 NC(=O)C1=CN=CC(O)=C1 5511865 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.113 NC(=O)C1=NC(Cl)=CN=C1 4035919 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4015121 [0,0,0,0,0,1|2,0,0]=3 90 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4089569 [0,0,0,0,0,1|2,0,0]=3 91 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 4108289 [0,0,0,0,0,1|1,0,0]=2 92 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 4028732 [0,0,0,0,0,1|1,0,0]=2 93 B7R0.4 C=CCSCC(=O)O 4026839 [1,0,1,0,0,0|0,0,2]=4 94 B9R1.21 N1C(C=O)=CC=C1CC 4043976 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.21 O=CC1=CC(CCl)=CS1 4035342 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.132 CC1=CC=C(C=O)N1C 4029722 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.11 COC(=O)C1=NNC=C1 4027720 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.11 N\C(=N/O)C1=CC=CO1 4031756 [1,1,0,0,0,0|1,1,0]=4 99 B9R1.41 CC(=O)C1=C(C)N=CS1 4006179 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.41 CC1=C(C(=O)O)C=CN1 4043878 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.41 CC1=C(C(=O)O)N=CN1 4108169 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.41 CC1=C(C(=O)O)N=CN1 4402344 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.41 CC1=C(C(=O)O)N=CO1 4015603 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.41 CC1=C(C(=O)O)SC=N1 4402151 [1,1,0,0,0,0|1,0,0]=3 105 B9R1.41 CN1N=CC=C1C(=O)O 4401287 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.41 NC1=CSN=C1C(=O)O 4108475 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.41 O=C(O)C1=C(Br)C=NN1 4029787 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.41 O=C(O)C1=NNC=C1Cl 4029915 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 4032345 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.3 COC1=NN=C(C(=O)O)C=C1 4000181 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 4035889 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4041103 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.21 CN1C=C(C(=O)O)C=CC1=O 4022851 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.21 CN1N=C(C(=O)O)C=CC1=O 4000134 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 4001614 [0,1,0,0,0,1|1,1,0]=4 116 B11R1.21 O=C(O)C1=CC(O)=C(O)C=N1 4001616 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl 4029816 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 4002882 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4400687 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N 4033628 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 4041390 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.43 C(=O)C1=CC=C(NC(C)=O)S1 4130382 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.645 CC1=C(CC(=O)O)SC(N)=N1 4034893 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 4402640 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.645 O=C(O)\C=C1/SC(=O)NC1=O 4004602 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.23 CNC(=O)C1=CC(Cl)=NC=C1 4027632 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 4045612 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.23 COC(=O)C1=CC(N)=NC=C1 4015127 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 4028395 [0,1,0,0,0,1|1,0,0]=3 130 B11R1.23 COC(=O)C1=NC=NC(Cl)=C1 4066002 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 4045249 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.74 CC1=CC(=O)C=C(C(=O)O)O1 4045251 [0,1,0,0,0,1|1,1,0]=4 133 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 4088020 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 7556668 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.74 CC1=CC(C(=O)O)=NC(C)=N1 4002748 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.74 CC1=CC(C(=O)O)=NC(N)=N1 4004177 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.167 CC1=CC(C(=O)O)=C(O)C=N1 4066855 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 4004240 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 4088790 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.15 CCCC(=O)C1=CC=C(C)S1 3001487 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.15 CCCC(=O)C1=CC=C(Cl)S1 3001490 [0,2,0,0,0,0|1,0,0]=3 142 B11R1.15 CCNC(=O)C1=CC=C(Br)S1 9071382 [0,2,0,0,0,0|1,1,0]=4 143 B11R1.44 CNC(=O)C1=CC=C(CCl)O1 4032346 [0,2,0,0,0,0|1,1,0]=4 144 B11R1.44 COC(=O)C1=CC=C(CBr)S1 4035563 [0,2,0,0,0,0|0,1,0]=3 145 B11R1.44 COC(=O)C1=CC=C(CN)O1 4016485 [0,2,0,0,0,0|1,1,0]=4 146 B11R1.48 CC1=C(CN)C=C(C(=O)O)O1 7297996 [0,2,0,0,0,0|1,1,0]=4 147 B11R1.50 CCC1=NC(C)=C(C(=O)O)S1 4025717 [0,2,0,0,0,0|2,0,0]=4 148 B11R1.50 COC1=NC(C)=C(C(=O)O)S1 4029473 [0,2,0,0,0,0|2,0,0]=4 149 B11R1.124 CCOC1=CC=C(C(=O)O)O1 7113881 [0,2,0,0,0,0|1,1,0]=4 150 B11R1.124 CCSC1=CC=C(C(=O)O)S1 5119137 [0,2,0,0,0,0|1,0,0]=3 151 B11R1.124 COCC1=CC=C(C(=O)O)O1 4401976 [0,2,0,0,0,0|1,1,0]=4 152 B11R1.124 COCC1=CC=C(C(=O)O)S1 4004231 [0,2,0,0,0,0|1,0,0]=3 153 B11R1.124 CSCC1=CC=C(C(=O)O)O1 4009586 [0,2,0,0,0,0|1,1,0]=4 154 B11R1.175 CC(=O)C1=NC=C(C(=O)O)S1 4076106 [0,2,0,0,0,0|2,0,0]=4 155 B11R1.175 CC(N)C1=NC=C(C(=O)O)S1 4077025 [0,2,0,0,0,0|2,0,0]=4 156 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 4033750 [0,2,0,0,0,0|2,0,0]=4 157 B9R1.2 CC1=NC(C=O)=CC=N1 4086614 [1,0,0,0,0,1|2,0,0]=4 158 B9R1.2 O=CC1=CC(Br)=CN=C1 4011095 [1,0,0,0,0,1|1,1,0]=4 159 B9R1.2 OCC1=CC(Cl)=NC=C1 4031779 [1,0,0,0,0,1|1,0,1]=4 160 B9R1.2 OCC1=NC=CC(Cl)=C1 4014670 [1,0,0,0,0,1|1,0,1]=4 161 B9R1.13 CC(=O)CC1=CC=CS1 4041410 [1,0,0,0,0,1|1,0,0]=3 162 B9R1.13 O=C(O)CC1=CC=NN1 4004807 [1,0,0,0,0,1|2,0,0]=4 163 B9R1.13 O=C(O)CC1=CSC=N1 2402341 [1,0,0,0,0,1|2,0,0]=4 164 B9R1.13 O=C(O)CN1C=CC=C1 4027952 [1,0,0,0,0,1|2,0,0]=4 165 B9R1.13 O=C(O)CN1C=CC=N1 2402291 [1,0,0,0,0,1|2,0,0]=4