0 B10R1.30 CC1=CC=C(O)C(C=O)=N1 4034766 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.30 CCC1=C(Br)C=CC(O)=C1 4054989 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.30 CCC1=C(C)C=CC(Cl)=N1 4044942 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.30 CCC1=C(N)C=CC(I)=C1 9071544 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.30 CCC1=CC(Cl)=CC=C1N 4040870 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.30 CCC1=NC(C)=CC=C1O 5170366 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.30 COC1=C(F)C=NC(=O)N1 4044333 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.30 COC1=C(F)C=NC(Cl)=N1 4044389 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.30 N#CC1=C(O)C=CC(N)=C1 4044158 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.30 N#CC1=CC(N)=CC=C1Br 4030306 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.2 C#CC1=CC(C)=CC=N1 4035992 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.2 C#CC1=CC=CC(C)=N1 4036372 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.2 C=CC1=CC=CC(O)=C1 4081750 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.2 CC1=CC(CN)=NC=C1 4018186 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.2 CC1=CC(NN)=NC=C1 4085298 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.2 CC1=CC=CC(CCl)=N1 4006197 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.2 CC1=CC=CC(CCl)=N1 4087831 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.2 CC1=CC=CC(CN)=N1 4102566 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.2 CC1=CC=CC(NN)=N1 4033592 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.2 CC1=NC=CC(CCl)=C1 4046381 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.2 CC1=NC=CC(CN)=C1 4019509 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.2 CC1=NC=CC(NN)=C1 4019583 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.2 COC1=CC(Cl)=NC=N1 4016719 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.2 CSC1=NC(Cl)=CC=C1 4030827 [1,0,0,0,0,0|2,1,0]=4 27 B9R1.15 CNC1=C(N)C=CC=N1 4045715 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.15 COC1=C(Cl)N=CC=C1 4034759 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.15 CSC1=CC=CN=C1Br 4074696 [1,0,0,0,0,0|2,1,0]=4 30 B9R1.15 NCC1=CC=CC=C1Br 4108297 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 4108304 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.69 CC1=C(C)N=C(Br)C=C1 4036062 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.69 CC1=C(C)N=C(Cl)C=C1 4031009 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.69 CC1=C(C)N=CC(O)=C1 4042425 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.69 CC1=C(C)NC(=O)C=C1 4034896 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.69 CC1=CN=C(C)C=C1Cl 4055511 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.69 CC1=CN=C(N)C(C)=C1 4043653 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.69 CC1=CN=C(O)C=C1C 4051285 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.69 CC1=NC(Cl)=CC=C1Cl 4050886 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.69 CC1=NC(N)=CC=C1I 4029456 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.69 CC1=NC=C(Cl)C(O)=N1 4047922 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.8 CC1=CC(C=O)=C(O)C(C)=C1 4016411 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.8 O=CC1=CC(Cl)=CC(I)=C1O 6448206 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.37 COC1=C(C#N)C=C(N)C=C1 4031545 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.37 COC1=CC(C)=CC=C1C=O 4004828 [0,1,0,0,0,0|0,0,1]=2 46 B11R1.37 COC1=CC=C(C)N=C1C=O 4034767 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.37 COC1=CC=C(Cl)C=C1C=O 3014153 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.37 COC1=CC=C(Cl)C=C1NN 4006265 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.37 COC1=CC=C(Cl)C=C1NN 4089436 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.37 COC1=CC=C(O)C=C1C=O 9070716 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.37 COC1=NC(C)=CC=C1C#N 4042836 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.167 CC1=CC(C(=O)O)=C(O)C=N1 4066855 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.167 CC1=CC=C(C)C(B(O)O)=C1 4003297 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.167 CC1=CC=C(C)C(C(C)N)=C1 4003778 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.167 CC1=CC=C(C)C([C@@H](C)N)=C1 4107485 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.167 CC1=CC=C(C)C([C@H](C)N)=C1 4101576 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.167 CC1=CC=C(N)C=C1N(C)C 4031464 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.48 C=C(C)\C=C\C(=O)OCC 4074677 [0,0,1,0,0,0|2,0,1]=4 59 B11R2.36 BrC1=CC2=C(C=C1)CCO2 4070587 [0,0,0,1,0,0|2,0,0]=3 60 B11R2.36 CC1=CC=C2NN=CC2=C1 4028132 [0,0,0,1,0,0|3,0,0]=4 61 B11R2.36 OC1=CC=C2C=NOC2=C1 4036298 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.4 CC1=CC(O)=NN=C1 4108288 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.4 CC1=CC=NC(O)=N1 4040424 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.4 CC1=CC=NC(O)=N1 4089730 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.4 CC1=NC=CC(Br)=C1 4014101 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.5 CC1=C(Br)C=CN=C1 4014100 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.5 CC1=C(Br)C=CN=C1 4090923 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.5 CC1=C(O)N=CN=C1 4043028 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.5 NC1=CC=CN=C1O 4034758 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.3 CC1=CN=C(O)N=C1 4044366 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.3 OC1=CC=C(O)N=C1 4030644 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.2 COC1=C(Br)C(C)=NC=N1 4048808 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.10 CC1=CC=CC(CCN)=N1 4002941 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.10 CC1=NC(CCBr)=CC=C1 4030426 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.113 CC(C)C1=CC=CC(Br)=C1 4045144 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.113 CC1=CC(B(O)O)=CC=C1 4200594 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.113 CC1=CC(C(C)N)=NC=C1 4033261 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.113 CC1=CC=CC(C(C)N)=N1 4034468 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 4098754 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.172 COC1=CC(CCl)=NC=C1 4016648 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.172 COC1=NC=CC(C=O)=C1 4029564 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.172 CSC1=CC=CC(C=O)=C1 4002911 [1,1,0,0,0,0|0,1,1]=4 86 B10R1.172 CSC1=CC=CC(CN)=C1 4002912 [1,1,0,0,0,0|0,1,0]=3 87 B10R1.172 N#CC1=CC(CN)=CC=C1 4044429 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.172 NCC1=CC=CC(CO)=C1 4035214 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.176 COC1=CC=C(N)C(F)=C1 4030309 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.176 COC1=CC=C(N)C(F)=C1 4088880 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.4 CCOC1=CC=CN=C1N 4027510 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.4 CCSC1=CC=CC=C1N 4091232 [1,1,0,0,0,0|1,1,0]=4 96 B10R1.4 CCSC1=CC=CC=C1N 9071805 [1,1,0,0,0,0|1,1,0]=4 97 B10R1.4 CNCC1=CC=CC=C1C 4028163 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.20 COC1=CC=CN=C1CCl 4036580 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.20 COC1=NC=CC=C1C#N 4036733 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.20 COC1=NC=CC=C1CCl 4038448 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.25 COC1=C(Br)C=C(C)N=C1 4056264 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.25 COC1=C(Br)N=C(C)C=C1 4030251 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.25 NCC1=C(O)C=C(O)C=C1 4026995 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4102676 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.61 CC(N)C1=C(O)C=CC=C1 4027030 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.61 CN(C)C1=C(N)C=CC=C1 5657224 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 4107864 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 4096051 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.245 COC1=C(Cl)C=CN=C1C 4082425 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.245 COC1=C(Cl)C=CN=C1Cl 4066686 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.245 COC1=C(N)C=CN=C1C 4077002 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.245 COC1=C(N)C=CN=C1Cl 4110612 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.245 CSC1=C(O)C=CC=C1C 4031718 [1,1,0,0,0,0|0,1,0]=3 116 B10R1.22 CC1=CC(=O)N(N)C(C)=C1 4004642 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.22 CC1=CC(C)=C(N)C(C)=N1 4014908 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.22 CC1=CC(Cl)=CC(N)=C1N 4030835 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.22 CC1=CC(Cl)=CC(N)=C1N 4087918 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.22 CC1=CC(N)=C(N)C(C)=C1 4031189 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.22 CC1=CC(N)=CC(C)=C1O 4035123 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.22 CC1=NC(C)=C(O)C(C)=N1 9070994 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.118 CC1=C(C)C=C(O)C(N)=C1 4030316 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.118 CC1=C(Cl)C=C(N)C(N)=C1 4043707 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.118 CC1=C(F)C=C(N)C(N)=C1 4086897 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.118 CC1=C(O)C=C(F)C(Br)=C1 4064018 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.118 CC1=CC(=O)C(O)=CN1C 4045527 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.118 CC1=NC(C)=C(C)C=C1N 4086097 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.119 CC1=C(Cl)C(N)=CC=C1Cl 4028034 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.119 CC1=C(O)C(Br)=CC=C1F 4061539 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.119 CC1=C(O)C=CC(Br)=C1C 4085475 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.119 CC1=C(O)C=CC(Br)=C1F 4051121 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.119 CC1=CC=C(N)C(O)=C1C 4033632 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.119 OC1=C(Cl)C(Cl)=C(Br)C=C1 4078114 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.234 COC1=C(C)C=C(C)C=C1C=O 4016822 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.234 COC1=NC(C)=CC(C)=C1CN 4018195 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.46 COC1=CC=C(C)C=C1B(O)O 4008663 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.268 CNCC1=CC(Br)=CC=C1OC 4091221 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.268 CNCC1=CC(Br)=CC=C1OC 5539963 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.268 CNCC1=CC(Cl)=CC=C1OC 4089865 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.268 CNCC1=CC(Cl)=CC=C1OC 9071851 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.654 COC1=C(C)C(CN)=NC=C1C 4030682 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.354 CC1=CC=C(C)C(C(=O)CCl)=C1 4033225 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.354 CCC(=O)C1=CC(C)=CC=C1C 4303056 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=C1 9070975 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.127 FC1=C(OC(F)F)C=C(Br)C=C1 4108255 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.127 FC1=CC(OC(F)F)=C(Br)C=C1 4108258 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.374 CC1=CC(OCCN)=C(C)C=C1 4030944 [0,2,0,0,0,0|1,0,0]=3 149 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 4027897 [0,2,0,0,0,0|0,0,1]=3 150 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 4034699 [0,2,0,0,0,0|0,0,0]=2 151 B12R2.24 OC1=CC=C2OCCOC2=C1 4003146 [0,1,0,1,0,0|1,0,0]=3 152 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 4007276 [0,1,0,1,0,0|1,0,1]=4 153 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 4013733 [0,1,0,1,0,0|2,0,0]=4 154 B12R2.606 CC1=CC=C2N=C(N)OC2=C1 4035547 [0,1,0,1,0,0|1,0,1]=4 155 B12R2.606 CC1=CC=C2OC(=O)NC2=C1 4035617 [0,1,0,1,0,0|1,0,1]=4 156 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 5195235 [0,1,0,1,0,0|2,0,0]=4 157 B12R2.606 CC1=NC2=CC(Br)=CC=C2O1 4003334 [0,1,0,1,0,0|2,0,0]=4 158 B12R2.606 CC1CC2=CC(N)=CC=C2O1 4018330 [0,1,0,1,0,0|2,0,0]=4 159 B12R2.100 CC1=CC2=C(C=C1N)OCO2 9071726 [0,1,0,1,0,0|0,0,0]=2 160 B12R2.44 NNC1=CC=C2OCOC2=C1 4003163 [0,1,0,1,0,0|1,0,0]=3