0 B9R1.41 CC(=O)C1=C(C)N=CS1 4006179 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.41 CC(=O)C1=C(C)NN=C1 4017057 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.41 CC(=O)C1=CC=NN1C 4030373 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.41 CC(=O)C1=NC=NN1C 4026611 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.41 CC(=O)C1=NON=C1C 4031228 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.41 CC(N)C1=NC=NN1C 4019940 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.41 CC(N)C1=NN=CN1C 4016222 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.41 CC(N)C1=NN=CN1C 4087874 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.41 CC1=C(C(=O)O)C=CN1 4043878 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.41 CC1=C(C(=O)O)C=NO1 3001678 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.41 CC1=C(C(=O)O)N=CN1 4108169 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.41 CC1=C(C(=O)O)N=CN1 4402344 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.41 CC1=C(C(=O)O)N=CO1 4015603 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.41 CC1=C(C(=O)O)SC=N1 4402151 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.41 CN1N=CC=C1B(O)O 4003213 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.41 CN1N=CC=C1C(=O)O 4401287 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.41 CN1N=CN=C1C(=O)O 4027955 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.7 CC(=O)C1=NC=CN1 4040695 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.7 CC(=O)C1=NC=NN1 4040504 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 CC(N)C1=CC=CS1 4100658 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.7 CC(N)C1=NC=CN1 4040236 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.7 N=C(N)C1=CC=CO1 4030998 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 O=C(O)C1=CC=NS1 4031031 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.7 O=C(O)C1=CN=NN1 4401560 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.7 O=C(O)C1=CSC=N1 2402329 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.7 O=C(O)C1=NNC=C1 3001705 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.7 O=C(O)C1=NOC=C1 2402252 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.11 CC1=C(C=O)SC=N1 3001799 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.11 CN1C=CN=C1C#N 4035968 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.11 CN1C=CN=C1CBr 4040171 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.11 CN1C=CN=C1CN 4101359 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.11 CN1C=NC=C1CCl 4016579 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.11 CN1N=CC=C1C#N 4034886 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.11 CN1N=CC=C1CCl 4045487 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.11 CN1N=CC=C1NN 4065102 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.11 O=CC1=CSC=C1Br 4300332 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.39 CCN1N=CC=C1C(=O)O 4029462 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 4028825 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 4088023 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 9072017 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.59 CC(=O)C1=CN(C)N=C1C 4087767 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 3002948 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 4400228 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.59 CN1C=C(Cl)C=C1C(=O)O 4045702 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.59 CN1N=C(Br)N=C1C(=O)[O-] 4086102 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.59 CN1N=C(Br)N=C1C(N)=O 4085673 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.59 CN1N=C(Cl)N=C1C(=O)[O-] 4085732 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.149 CC1=C(C(=O)NN)C=CO1 3000098 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.149 CC1=C(C(=O)NN)SC=C1 4033736 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.149 CCC(=O)C1=CC=NN1C 4025891 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.149 CCC(=O)C1=NC=NN1C 4026613 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.149 CN1C=CC=C1\C(N)=N\O 4042959 [0,1,0,0,0,0|1,0,1]=3 52 B10R1.149 CN1C=CN=C1C(=O)NN 4031467 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.149 CN1N=CC=C1C(=O)NN 4030120 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.149 CNC(=O)C1=C(N)C=CS1 4035467 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.149 COC(=O)C1=C(C)NC=N1 4108201 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.192 CC(=O)C1=C(Br)C=NN1C 4030024 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.192 CC(=O)C1=C(C)NN=C1C 4300300 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.192 CC(=O)C1=C(N)NN=C1C 4043949 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.192 CC(=O)C1=C(N)SN=C1C 4031562 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.192 CC(=O)C1=C(N)SN=C1C 4090921 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.192 CC1=C(C(=O)O)N(C)C=N1 4030150 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.192 CN1N=CC(Br)=C1C(=O)O 4033665 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.192 CN1N=CC(Cl)=C1C(=O)O 4030210 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.192 CN1N=CC(I)=C1C(=O)O 4029192 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.192 CN1N=CC(N)=C1C(N)=O 4034516 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.194 CC1=C(C(=O)O)C=CN1C 4045412 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.194 CN1C(C(=O)O)=CN=C1Br 4038952 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.61 CC(=O)C1=CC=CNC1=O 4048059 [0,0,0,0,0,1|2,0,0]=3 69 B10R1.61 CC1=C(C(N)=S)C=CC=C1 4009956 [0,0,0,0,0,1|2,1,0]=4 70 B10R1.61 CC1=CC=CN=C1C(C)N 4027822 [0,0,0,0,0,1|2,0,1]=4 71 B10R1.61 CC1=NC=NC=C1C(=O)O 4026899 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.61 O=C(O)C1=C(S)N=CC=C1 3001563 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.64 CC(=O)CN1C=CN=C1C 4027991 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.64 CC(=O)CN1C=CN=C1C 4088877 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 4031737 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.113 CC1=CC=CC(C(C)N)=N1 4034468 [0,0,0,0,0,1|2,0,1]=4 77 B10R1.113 CC1=NC(C(=O)O)=CC=N1 4029632 [0,0,0,0,0,1|3,0,0]=4 78 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [1,0,1,0,0,0|1,0,1]=4 79 B7R1.4 CN1C=CN=C1N 4034680 [2,0,0,0,0,0|2,0,0]=4 80 B7R1.4 CN1C=CN=C1N 4085296 [2,0,0,0,0,0|2,0,0]=4 81 B7R1.4 CN1C=CNC1=O 4044124 [2,0,0,0,0,0|1,0,0]=3 82 B7R1.4 CN1N=CC=C1Br 4035636 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.11 COC(=O)C1=NNC=C1 4027720 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.11 NNC(=O)C1=CC=NN1 4036018 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [1,1,0,0,0,0|1,0,0]=3 86 B9R1.35 CC(=O)C1=CN=C(N)O1 4043735 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.35 CC(=O)C1=NC(C)=CN1 4041054 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.35 CC1=CNC(C(=O)O)=N1 4401881 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.35 NC(=O)C1=CC(Br)=CS1 9071903 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.35 NC(=O)C1=CC=C(Br)O1 9071676 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.35 NC(=O)C1=CC=C(Br)S1 6131131 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.35 O=C(O)C1=CC(Br)=CN1 4029556 [1,1,0,0,0,0|1,0,0]=3 93 B9R1.35 O=C(O)C1=CC(Cl)=CN1 4029972 [1,1,0,0,0,0|1,0,0]=3 94 B9R1.35 O=C(O)C1=CC=C(Br)S1 3001713 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.35 O=C(O)C1=CC=C(Cl)O1 4029336 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.35 O=C(O)C1=CC=C(Cl)S1 3002594 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.35 O=C(O)C1=CN=C(S)N1 7113240 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.35 O=C1C=C(C(=O)O)NN1 4031886 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.35 O=C1NC=C(C(=O)O)N1 4004252 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.14 C(=O)C1=CN=CN1CC 4013830 [1,1,0,0,0,0|1,0,0]=3 101 B9R1.14 CCN1C=CC=C1C#N 4043432 [1,1,0,0,0,0|1,0,1]=4 102 B9R1.14 CCN1C=CN=C1C=O 4004954 [1,1,0,0,0,0|1,0,0]=3 103 B9R1.14 CCN1N=CN=C1C=O 4028391 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.22 CC1=CC(C=O)=C(C)N1 4027546 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.22 CN1C=C(Br)C=C1C#N 4044791 [1,1,0,0,0,0|1,0,1]=4 106 B9R1.22 CN1N=C(Br)N=C1C=O 4110652 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.27 CCC1=C(Br)C=NN1C 4045674 [1,1,0,0,0,0|1,0,1]=4 108 B9R1.33 CN1C=CC=C1CC#N 4044903 [1,1,0,0,0,0|0,0,2]=4 109 B9R1.33 CN1C=CC=C1CCN 4004553 [1,1,0,0,0,0|0,0,1]=3 110 B9R1.33 CN1C=CN=C1CCCl 4042694 [1,1,0,0,0,0|1,0,1]=4 111 B9R1.33 CN1C=CN=C1CCN 4029034 [1,1,0,0,0,0|1,0,1]=4 112 B9R1.33 CN1C=CN=C1CCO 4038692 [1,1,0,0,0,0|1,0,1]=4 113 B9R1.33 CN1N=CC=C1CCN 4045441 [1,1,0,0,0,0|1,0,1]=4 114 B9R1.33 CNCC1=NC=CN1C 4101396 [1,1,0,0,0,0|1,0,1]=4 115 B9R1.132 CC1=CC=C(C=O)N1C 4029722 [1,1,0,0,0,0|0,0,0]=2 116 B9R1.132 CC1=NC=C(C=O)N1C 4004294 [1,1,0,0,0,0|1,0,0]=3 117 B11R1.53 CNC1=NC=CC=C1C(=O)O 4020830 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.53 NCC1=CC=CC=C1C(=O)O 4028019 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.156 CC1=C(C(=O)O)C(=O)NC=C1 4044277 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.159 CC1=C(C(N)=O)C=CC=C1N 4029010 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl 4029816 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.166 CC(=O)C1=CNC(=O)N=C1C 4033476 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4400687 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.222 CNC(=O)C1=CC=CC=C1Br 5357048 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.222 CNC(=O)C1=CC=CN=C1Cl 9071187 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.89 CN1C=CC=C1C(=O)C(=O)O 4032639 [0,1,0,0,0,1|1,0,0]=3 127 B11R1.228 CN1C=CC=C1CC(=O)NN 3001503 [0,1,0,0,0,1|1,0,0]=3 128 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4033239 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4091214 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.21 CC1=C(N)C=CC(C(N)=O)=C1 4034074 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.21 CN1C=C(C(=O)O)C=CC1=O 4022851 [0,1,0,0,0,1|1,0,0]=3 132 B11R1.21 CN1N=C(C(=O)O)C=CC1=O 4000134 [0,1,0,0,0,1|1,0,0]=3 133 B11R1.23 CNC(=O)C1=CC(Br)=CC=C1 5651817 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 4045612 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 4045249 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.74 CC1=CC(=O)C=C(C(=O)O)O1 4045251 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.59 CCN1N=CC=C1C(=O)NN 4036182 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.178 CC(C)N1N=CC=C1C(=O)O 7117667 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.178 O=C(O)C1=CC=CN1C(F)F 4045700 [0,2,0,0,0,0|1,0,0]=3 140 B11R1.471 CCN1N=CC(Cl)=C1C(=O)O 4034488 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.50 CCC1=NN(C)C(C(=O)O)=C1 4402465 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.50 CN1C=C(C#N)C=C1C(=O)O 4036268 [0,2,0,0,0,0|1,0,0]=3 143 B11R1.225 CCC(=O)C1=C(C)SC(C)=C1 4012560 [0,2,0,0,0,0|2,0,0]=4 144 B11R1.225 COC(=O)C1=NC(Br)=NN1C 4085426 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.225 COC(=O)C1=NC(Cl)=NN1C 4087518 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl 4040780 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.199 COCC(=O)C1=CC=NN1C 4025897 [0,2,0,0,0,0|1,0,0]=3 148 B11R1.875 CNC(=O)C1=C(N)C=NN1C 4029716 [0,2,0,0,0,0|1,0,0]=3 149 B11R1.875 COC(=O)C1=C(Br)C=NN1C 4033387 [0,2,0,0,0,0|1,0,0]=3 150 B11R1.875 COC(=O)C1=C(C)NC=C1C 4027345 [0,2,0,0,0,0|2,0,0]=4 151 B9R1.13 CC(=O)CN1C=CC=N1 4027130 [0,0,1,1,0,0|1,0,1]=4 152 B9R1.2 CC1=CC=CC(NN)=N1 4033592 [0,0,1,1,0,0|2,0,0]=4 153 B11R2.1 O=C1NCC2=CC=CC=C12 4041876 [0,0,0,1,0,1|2,0,0]=4 154 B11R2.1 O=C1NCC2=CC=CN=C12 4037457 [0,0,0,1,0,1|2,0,0]=4 155 B11R2.106 CC1NCCN2C=CC=C12 4101562 [0,1,0,1,0,0|1,0,1]=4 156 B11R2.106 O=C1NN=CN2C=CC=C12 4025864 [0,1,0,1,0,0|1,0,1]=4 157 B11R1.86 CC(=O)CC1=C(C)C=CC=N1 4002455 [0,0,0,0,0,2|1,0,0]=3 158 B11R1.86 CC(=O)NC1=CC=CN=C1Cl 9070591 [0,0,0,0,0,2|2,0,0]=4 159 B11R1.86 CC(=O)NC1=NC=CC=C1O 4032188 [0,0,0,0,0,2|2,0,0]=4 160 B11R1.86 CC1=C(CC(=O)O)N=CC=C1 4081067 [0,0,0,0,0,2|2,0,0]=4 161 B11R1.90 CN1C=CN=C1SCC(=O)O 4004244 [0,0,0,0,0,2|2,0,0]=4 162 B11R1.90 CN1C=CN=C1SCC(=O)O 4091231 [0,0,0,0,0,2|2,0,0]=4 163 B11R1.90 CN1N=CC=C1CCC(=O)O 4045648 [0,0,0,0,0,2|2,0,0]=4 164 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 4002456 [0,0,0,0,0,2|2,0,0]=4 165 B11R1.157 CC(=O)CC1=CC=CC(C)=N1 4000002 [0,0,0,0,0,2|1,0,0]=3 166 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 5475603 [0,0,0,0,0,2|2,0,0]=4