0 B10R1.4 C=CCC1=C(O)C=CC=C1 2827010 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.4 CC1=C(N=C=O)C=CC=C1 1055563 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.4 CC1=CC=CC=C1CC#N 1287073 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.4 CCOC1=C(O)C=CC=C1 2827244 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.4 CCOC1=CC=CC=C1N 1314577 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.4 CCOC1=CC=CN=C1N 1515223 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.4 FC1=C(N=C=S)C=CC=C1 1055686 [0,0,0,0,0,0|2,1,1]=4 7 B10R1.4 N#CCC1=C(F)C=CC=C1 1519443 [0,0,0,0,0,0|0,1,2]=3 8 B10R1.4 NCCC1=C(O)C=CC=C1 2227237 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.4 NCCC1=CC=CC=C1F 6051017 [0,0,0,0,0,0|0,1,0]=1 10 B9R1.8 BrCCC1=CC=CC=C1 2889217 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 CCCC1=CC=CC=C1 2826136 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 CCNC1=CC=CC=C1 1220427 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 CCOC1=CC=CC=C1 2826174 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 CNCC1=CC=CC=C1 1268163 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 ClCCC1=CC=CC=C1 2827551 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.8 N#CCC1=CC=CC=C1 1519434 [1,0,0,0,0,0|0,0,2]=3 17 B9R1.8 N#CCC1=NC=CC=C1 1287098 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.8 NCCC1=CC=CC=C1 1038619 [1,0,0,0,0,0|0,0,0]=1 19 B9R1.8 NNCC1=CC=CC=C1 1972969 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 O=C=NC1=CC=CC=C1 1051736 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 O=CCC1=CC=CC=C1 1204419 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.8 O=CNC1=CC=CC=C1 2826151 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 OCCC1=CC=CC=C1 1204382 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.8 OCCC1=CC=CC=N1 1204379 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 [C]=NCC1=CC=CC=C1 5679156 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.15 BrCC1=C(Br)C=CC=C1 4435191 [1,0,0,0,0,0|1,1,0]=3 27 B9R1.15 CC1=C(C#N)C=CC=C1 1901688 [1,0,0,0,0,0|1,0,2]=4 28 B9R1.15 CC1=C(C=O)C=CC=C1 1901705 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.15 CC1=C(CCl)C=CC=C1 2048751 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.15 CC1=C(CN)C=CC=C1 1038609 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.15 CC1=C(CO)N=CC=C1 2817350 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.15 CC1=CC=CN=C1NN 1033422 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.15 CCC1=C(N)C=CC=C1 2826161 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.15 CCC1=C(O)C=CC=C1 2826180 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.15 CNC1=CC=CC=C1N 6871417 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.15 COC1=C(Br)C=CC=C1 1287441 [1,0,0,0,0,0|1,1,0]=3 37 B9R1.15 COC1=C(C)C=CC=C1 2826177 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.15 COC1=C(Cl)C=CC=C1 2827881 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.15 COC1=C(F)C=CC=C1 2826313 [1,0,0,0,0,0|1,1,0]=3 40 B9R1.15 COC1=C(N)C=CC=C1 1314580 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.15 COC1=C(O)C=CC=C1 2826229 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.15 COC1=CC=CN=C1N 1514805 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.15 CSC1=CC=CC=C1Br 22430606 [1,0,0,0,0,0|1,1,0]=3 44 B9R1.15 ClCC1=C(Cl)C=CC=C1 2048846 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.15 FC1=CC=CC=C1CCl 2048768 [1,0,0,0,0,0|1,1,0]=3 46 B9R1.15 N#CC1=C(N)C=CC=C1 2826071 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.15 N#CC1=CC=CC=C1Cl 7119850361 [1,0,0,0,0,0|0,0,2]=3 48 B9R1.15 N#CC1=CC=CC=C1F 1901709 [1,0,0,0,0,0|0,1,2]=4 49 B9R1.15 N#CC1=CC=CC=C1O 2129603 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.15 N#CC1=CC=CN=C1Cl 2827314 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.15 NCC1=C(Cl)C=CC=C1 1038613 [1,0,0,0,0,0|0,0,0]=1 52 B9R1.15 NCC1=C(F)C=CC=C1 7020330618 [1,0,0,0,0,0|0,1,0]=2 53 B9R1.15 NCC1=C(F)C=CC=N1 5027490 [1,0,0,0,0,0|1,1,0]=3 54 B9R1.15 NNC1=C(Cl)C=CC=C1 1156642 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.15 NNC1=C(F)C=CC=C1 2832682 [1,0,0,0,0,0|1,1,0]=3 56 B9R1.15 O=CC1=C(Cl)C=CC=C1 1901923 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.15 O=CC1=C(Cl)N=CC=C1 3667461 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.15 O=CC1=C(F)C=CC=C1 1901718 [1,0,0,0,0,0|1,1,1]=4 59 B9R1.15 O=CC1=C(O)C=CC=C1 2129572 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.15 O=CC1=CC=CC=C1Br 1904102 [1,0,0,0,0,0|1,1,1]=4 61 B9R1.15 OCC1=C(Cl)C=CC=C1 2048757 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.15 OCC1=C(Cl)N=CC=C1 2819188 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.15 OCC1=CC=CC=C1Br 2049225 [1,0,0,0,0,0|1,1,0]=3 64 B9R1.15 OCC1=NC=CC=C1Br 11186520 [1,0,0,0,0,0|2,1,0]=4 65 B11R1.17 BrCCCC1=CC=CC=C1Br 6184625 [0,1,0,0,0,0|1,1,0]=3 66 B11R1.17 CC1=C(OCCN)C=CC=C1 7020330515 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.17 CC1=C(OCCN)C=CC=C1 970475 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.17 CC1=CC=CC=C1OCC#N 7020402309 [0,1,0,0,0,0|1,0,2]=4 69 B11R1.17 CCCNC1=C(Cl)C=CC=C1 1367451 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.17 CCCOC1=CC=CN=C1N 1515217 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.17 FC1=CC=CC=C1CCCCl 1275126 [0,1,0,0,0,0|1,1,0]=3 72 B11R1.17 N#CCOC1=C(Cl)C=CC=C1 7020687423 [0,1,0,0,0,0|0,0,2]=3 73 B11R1.17 OCCCC1=CC=CC=C1F 1204349 [0,1,0,0,0,0|1,1,0]=3 74 B11R1.41 COC1=C(CC#N)C=CC=C1 1779153 [0,1,0,0,0,0|1,0,2]=4 75 B11R1.41 COC1=CC=CC=C1CCO 1204389 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.81 N#CCC1=C(Cl)C=C(Cl)C=C1 1519439 [0,1,0,0,0,0|0,0,2]=3 77 B11R1.81 N#CCC1=CC=C(Cl)C=C1F 3674004 [0,1,0,0,0,0|0,1,2]=4 78 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 1779236 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 0104540046 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.86 CC1=CC=CC=C1NC(=N)N 2125462 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.86 NC(=S)NC1=CC=CC=C1F 1001120 [0,1,0,0,0,0|1,1,1]=4 82 B11R1.86 O=C(O)CC1=CC=CC=C1F 7020330565 [0,1,0,0,0,0|1,1,1]=4 83 B11R1.182 C=CCC1=CC(Cl)=CC=C1O 1392641 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.182 CCOC1=CC(Br)=CC=C1O 7020688452 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.222 CC1=C(C(C)CN)C=CC=C1 1779212 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.222 CCC(=O)C1=CC=CC=C1Br 1909091 [0,1,0,0,0,0|1,1,1]=4 87 B11R1.222 CCC(C)C1=C(N)C=CC=C1 2829031 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.222 COC(=O)C1=CC=CC=C1Cl 2084248 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.222 NCC(O)C1=CC=CC=C1O 4670414 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.222 NNC(=O)C1=CC=CC=C1Br 7119846925 [0,1,0,0,0,0|1,1,1]=4 91 B11R1.222 NNC(=O)C1=CC=CC=C1F 7119846922 [0,1,0,0,0,0|1,1,1]=4 92 B11R1.222 NNC(=O)C1=CC=CC=C1N 974743 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 3015492 [0,1,0,0,0,0|1,1,1]=4 94 B11R2.10 CC1CC2=C(C=CC=C2)N1 14991776 [0,0,0,1,0,0|2,0,0]=3 95 B11R2.10 NC1=NC2=CC=CC=C2N1 7119850621 [0,0,0,1,0,0|2,0,1]=4 96 B11R2.10 O=C1CC2=CC=CC=C2C1 15296930 [0,0,0,1,0,0|2,0,1]=4 97 B11R2.10 O=C1CC2=CC=CC=C2N1 7017680945 [0,0,0,1,0,0|2,0,1]=4 98 B11R2.20 C1=CC2=C(C=C1)CNCC2 1038831 [0,0,0,1,0,0|1,0,0]=2 99 B11R2.20 C1=CC=C2CCCCC2=C1 2826907 [0,0,0,1,0,0|2,0,0]=3 100 B11R2.20 C1=CC=C2NCCCC2=C1 2048736 [0,0,0,1,0,0|2,0,0]=3 101 B11R2.20 C1=CC=C2OCCNC2=C1 1217659 [0,0,0,1,0,0|3,0,0]=4 102 B11R2.20 C1=CC=C2OCCOC2=C1 2827086 [0,0,0,1,0,0|3,0,0]=4 103 B11R2.106 ClC1=C2C=NNC2=CC=C1 6850312 [0,0,0,1,0,0|1,0,1]=3 104 B11R2.106 ClC1=C2NC=CC2=CC=C1 4061562 [0,0,0,1,0,0|2,0,1]=4 105 B11R2.106 NC1=C2C=CNC2=CC=C1 15386188 [0,0,0,1,0,0|1,0,2]=4 106 B11R2.106 NC1=C2COCC2=CC=C1 3666344 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.33 CC1=NC=CN1CCN 7138653 [0,0,0,0,1,0|3,0,0]=4 108 B9R1.33 CN1C=NC=C1CCN 6850082 [0,0,0,0,1,0|3,0,0]=4 109 B9R1.33 NCCC1=C(Br)N=CN1 6095770 [0,0,0,0,1,0|2,1,0]=4 110 B8R1.2 BrCC1=CC=CC=C1 2844339 [2,0,0,0,0,0|1,0,0]=3 111 B8R1.2 CCC1=CC=CC=C1 2825676 [2,0,0,0,0,0|0,0,0]=2 112 B8R1.2 CNC1=CC=CC=C1 1366528 [2,0,0,0,0,0|1,0,0]=3 113 B8R1.2 COC1=CC=CC=C1 2825706 [2,0,0,0,0,0|1,0,0]=3 114 B8R1.2 CSC1=CC=CC=C1 2826254 [2,0,0,0,0,0|1,0,0]=3 115 B8R1.2 ClCC1=CC=CC=C1 1778716 [2,0,0,0,0,0|1,0,0]=3 116 B8R1.2 N#CC1=CC=CC=C1 1778585 [2,0,0,0,0,0|0,0,2]=4 117 B8R1.2 NCC1=CC=CC=C1 1038608 [2,0,0,0,0,0|0,0,0]=2 118 B8R1.2 NCC1=CC=CC=C1 6057147 [2,0,0,0,0,0|0,0,0]=2 119 B8R1.2 NCC1=CC=CN=C1 1038606 [2,0,0,0,0,0|1,0,0]=3 120 B8R1.2 NCC1=CC=NC=C1 1038607 [2,0,0,0,0,0|1,0,0]=3 121 B8R1.2 NNC1=CC=CC=C1 1156632 [2,0,0,0,0,0|1,0,0]=3 122 B8R1.2 NNC1=CC=CC=C1 6057168 [2,0,0,0,0,0|1,0,0]=3 123 B8R1.2 NNC1=NC=CC=C1 1060375 [2,0,0,0,0,0|2,0,0]=4 124 B8R1.2 O=CC1=CC=CC=C1 988591 [2,0,0,0,0,0|1,0,1]=4 125 B8R1.2 OCC1=CC=CC=C1 1778593 [2,0,0,0,0,0|1,0,0]=3 126 B8R1.2 SCC1=CC=CC=C1 1972971 [2,0,0,0,0,0|1,0,0]=3 127 B8R1.5 CC1=C(Br)C=CC=C1 1287408 [2,0,0,0,0,0|0,1,0]=3 128 B8R1.5 CC1=C(Br)N=CC=C1 2835840 [2,0,0,0,0,0|1,1,0]=4 129 B8R1.5 CC1=C(C)C=CC=C1 2825679 [2,0,0,0,0,0|1,0,0]=3 130 B8R1.5 CC1=C(Cl)C=CC=C1 2826368 [2,0,0,0,0,0|0,0,0]=2 131 B8R1.5 CC1=C(Cl)N=CC=C1 2817631 [2,0,0,0,0,0|1,0,0]=3 132 B8R1.5 CC1=C(N)C=CC=C1 2825687 [2,0,0,0,0,0|1,0,0]=3 133 B8R1.5 CC1=C(O)C=CC=C1 2825709 [2,0,0,0,0,0|1,0,0]=3 134 B8R1.5 CC1=CC=CC=C1F 2825751 [2,0,0,0,0,0|0,1,0]=3 135 B8R1.5 CC1=CC=CC=C1N 3585807 [2,0,0,0,0,0|1,0,0]=3 136 B8R1.5 CC1=CC=CN=C1N 2825713 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.5 CC1=CC=CNC1=O 1298063 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.5 ClC1=C(Br)C=CC=N1 7110952626 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.5 ClC1=C(Cl)C=CC=C1 2828763 [2,0,0,0,0,0|1,0,0]=3 140 B8R1.5 FC1=C(Br)C=CC=C1 1287411 [2,0,0,0,0,0|1,1,0]=4 141 B8R1.5 FC1=C(F)C=CC=C1 2825885 [2,0,0,0,0,0|1,1,0]=4 142 B8R1.5 NC1=C(Br)C=CC=N1 7110951380 [2,0,0,0,0,0|1,1,0]=4 143 B8R1.5 NC1=C(Cl)C=CC=N1 7110951381 [2,0,0,0,0,0|1,0,0]=3 144 B8R1.5 NC1=C(Cl)N=CC=C1 7110951374 [2,0,0,0,0,0|1,0,0]=3 145 B8R1.5 NC1=C(F)C=CC=C1 2825775 [2,0,0,0,0,0|0,1,0]=3 146 B8R1.5 NC1=C(N)C=CC=C1 22430366 [2,0,0,0,0,0|1,0,0]=3 147 B8R1.5 NC1=C(N)C=CC=C1 2825714 [2,0,0,0,0,0|1,0,0]=3 148 B8R1.5 NC1=C(O)C=CC=C1 2129098 [2,0,0,0,0,0|1,0,0]=3 149 B8R1.5 NC1=CC=CC=C1Br 1362091 [2,0,0,0,0,0|0,1,0]=3 150 B8R1.5 NC1=CC=CC=C1Cl 2826458 [2,0,0,0,0,0|0,0,0]=2 151 B8R1.5 NC1=CC=CC=C1I 7020410063 [2,0,0,0,0,0|0,1,0]=3 152 B8R1.5 NC1=CC=CC=C1N 5753508 [2,0,0,0,0,0|1,0,0]=3 153 B8R1.5 NC1=NC=CC=C1O 1514722 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.5 OC1=C(Br)C=CC=C1 1287430 [2,0,0,0,0,0|1,1,0]=4 155 B8R1.5 OC1=C(Cl)C=CC=C1 2826547 [2,0,0,0,0,0|1,0,0]=3 156 B8R1.5 OC1=C(F)C=CC=C1 22430483 [2,0,0,0,0,0|1,1,0]=4 157 B8R1.5 OC1=C(I)C=CC=C1 3191832 [2,0,0,0,0,0|1,1,0]=4 158 B8R1.5 OC1=C(O)C=CC=C1 2825747 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 5662452 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.1 CC1=CC=C(CC#N)C=C1 1287072 [1,1,0,0,0,0|0,0,2]=4 161 B10R1.1 CC1=CC=C(CCCl)C=C1 1277178 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.1 CC1=CC=C(CCN)C=C1 1038622 [1,1,0,0,0,0|0,0,0]=2 163 B10R1.1 CCCC1=CC=C(O)C=C1 2818223 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.1 CCOC1=CC=C(N)C=C1 1314575 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.1 CCOC1=CC=C(O)C=C1 1506720 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.1 N#CCC1=CC=C(Br)C=C1 1287071 [1,1,0,0,0,0|0,0,2]=4 167 B10R1.1 N#CCC1=CC=C(Cl)C=C1 1519435 [1,1,0,0,0,0|0,0,2]=4 168 B10R1.1 N#CCC1=CC=C(F)C=C1 1519437 [1,1,0,0,0,0|0,0,2]=4 169 B10R1.1 NCCC1=CC=C(F)C=C1 1038624 [1,1,0,0,0,0|0,0,0]=2 170 B10R1.1 NCCC1=CC=C(O)C=C1 3463715 [1,1,0,0,0,0|0,0,0]=2 171 B10R1.1 OCCC1=CC=C(Br)C=C1 1204413 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.10 CC1=CC=CC(CC#N)=C1 1287074 [1,1,0,0,0,0|0,0,2]=4 173 B10R1.10 CC1=CC=CC(CCN)=C1 1038621 [1,1,0,0,0,0|0,0,0]=2 174 B10R1.10 CCNC1=CC=CC(C)=C1 1220439 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.10 CNCC1=CC(O)=CC=C1 1268164 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.10 CNCC1=CC=CC(O)=C1 3644490 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.10 CSCC1=CC(O)=CC=C1 7575917 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.10 N#CCC1=CC=CC(Cl)=C1 1519438 [1,1,0,0,0,0|0,0,2]=4 179 B10R1.10 NCCC1=CC(Br)=CC=C1 1786240 [1,1,0,0,0,0|0,0,0]=2 180 B10R1.10 NCCC1=CC(Cl)=CC=C1 1038630 [1,1,0,0,0,0|0,0,0]=2 181 B10R1.15 CC(C#N)C1=CC=CC=C1 1204062 [1,1,0,0,0,0|0,0,2]=4 182 B10R1.15 CC(CN)C1=NC=CC=C1 1883428 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.15 CC(NO)C1=CC=CC=C1 1204024 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.15 CCC(=O)C1=CC=CC=C1 1043816 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.15 CCC(C)C1=CC=CC=C1 2827022 [1,1,0,0,0,0|1,0,0]=3 186 B10R1.15 CCC(N)C1=CC=CC=C1 1146635 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.15 NCC(=O)C1=CC=CC=C1 1042947 [1,1,0,0,0,0|0,0,1]=3 188 B10R1.15 NNC(=O)C1=CC=CC=C1 1778868 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.15 O=C(CBr)C1=CC=CC=C1 2125402 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.15 OC(CCl)C1=CC=CC=C1 1500436 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.17 BrCCCC1=CC=CC=C1 1275152 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.17 BrCCOC1=CC=CC=C1 7110952510 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.17 CCCCC1=CC=CC=C1 2827024 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.17 CCNCC1=CC=CC=C1 1366645 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.17 CNCCC1=CC=NC=C1 7020420399 [1,1,0,0,0,0|1,0,0]=3 196 B10R1.17 CNCCC1=NC=CC=C1 4347309 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.17 ClC\C=C\C1=CC=CC=C1 5970146 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.17 N#CCCC1=CC=CC=C1 1512383 [1,1,0,0,0,0|0,0,1]=3 199 B10R1.17 N#CCCC1=NC=CC=C1 1973037 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.17 N#CCOC1=CC=CC=C1 7020402308 [1,1,0,0,0,0|0,0,2]=4 201 B10R1.17 N=C=[SH]CC1=CC=CC=C1 22430371 [1,1,0,0,0,0|0,0,2]=4 202 B10R1.17 NCCCC1=CC=CN=C1 1038705 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.17 NCCNC1=NC=CC=N1 15298417 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.17 NCCOC1=CC=CC=C1 7020330514 [1,1,0,0,0,0|0,0,0]=2 205 B10R1.17 NCCSC1=CC=CC=C1 6137840 [1,1,0,0,0,0|0,0,0]=2 206 B10R1.17 NNCCC1=CC=CC=C1 9080668 [1,1,0,0,0,0|0,0,0]=2 207 B10R1.17 O=C=NCC1=CC=CC=C1 1055530 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.17 O=CCCC1=CC=CC=C1 1191525 [1,1,0,0,0,0|1,0,0]=3 209 B10R1.17 OCCNC1=CC=CC=C1 1866520 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.17 OCCOC1=CC=CC=C1 1275759 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.17 SCCOC1=CC=CC=C1 1310591 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 2818083 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.18 CC(C)NC1=CC=CC=C1 1220423 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.18 CN(C)CC1=CC=CC=C1 2827061 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.18 FC(F)SC1=CC=CC=C1 1779696 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.18 NC(=O)NC1=CC=CC=C1 1778870 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.18 NC(=S)CC1=CC=CC=C1 7018890438 [1,1,0,0,0,0|0,0,1]=3 218 B10R1.18 NC(=S)NC1=CC=CC=C1 1001333 [1,1,0,0,0,0|1,0,1]=4 219 B10R1.18 O=C(Cl)CC1=CC=CC=C1 1051728 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.18 O=C(O)CC1=CC=CC=C1 1500423 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.2 CC1=C(NN)C=CC=C1Cl 1366953 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.2 CCC1=C(N)C(C)=CC=C1 2827065 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.2 OCC1=CC=CC(F)=C1Br 6956894 [1,1,0,0,0,0|1,1,0]=4 224 B10R1.20 BrCC1=CC=CC=C1CBr 3585819 [1,1,0,0,0,0|1,1,0]=4 225 B10R1.20 COC1=C(C#N)C=CC=C1 1778845 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.20 COC1=C(C=O)C=CC=C1 1180631 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.20 COC1=C(CO)C=CC=C1 1778903 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.20 COC1=C(OC)C=CC=C1 2827242 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.20 COC1=CC=CC=C1NN 5009392 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.20 CSC1=C(CCl)C=CC=C1 7020542491 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.20 CSC1=C(CO)C=CC=C1 7020542492 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.20 ClCC1=C(CCl)C=CC=C1 2837943 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.20 N#CC1=C(CCl)C=CC=C1 2829304 [1,1,0,0,0,0|0,0,2]=4 234 B10R1.20 N#CC1=CC=CC=C1CBr 7212550795 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.25 CC1=CC(C)=C(CBr)C=C1 2413490 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.25 CC1=CC(C)=C(CO)C=C1 1778879 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.25 COC1=C(Cl)C=C(N)C=C1 1366978 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.25 COC1=C(N)C=C(C)C=C1 1366672 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.25 COC1=C(N)C=C(Cl)C=C1 1366976 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.25 COC1=CC=C(I)C=C1O 3479995 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 2049523 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.25 NNC1=NC=C(Cl)C=C1Cl 2848562 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.25 O=CC1=CC=C(Cl)C=C1Cl 1903199 [1,1,0,0,0,0|1,0,1]=4 244 B10R1.30 CCC1=CC(Br)=CC=C1O 7020688456 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.30 COC1=C(C)C=CC(F)=C1 5042942 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.30 COC1=C(N)C=CC(C)=C1 1366673 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.30 COC1=C(O)C=CC(C)=C1 2827243 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.30 COC1=CC(N)=CC=C1Cl 1902326 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.30 CSC1=CC(O)=CC=C1N 6641948 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 1287341 [1,1,0,0,0,0|0,0,1]=3 251 B10R1.61 CC(=O)C1=C(O)C=CC=C1 1778867 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.61 CC(=O)C1=CC=CC=C1N 2827048 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.61 CC(C)C1=C(N)C=CC=C1 2827067 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.61 CC(C)C1=C(O)C=CC=C1 2827124 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.61 CC(O)C1=C(F)C=NC=C1 6902371 [1,1,0,0,0,0|1,1,0]=4 256 B10R1.61 CC1=C(C(N)=O)C=CC=C1 1375207 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.61 CC1=CC=CC=C1C(N)=S 1288011 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.61 CN(C)C1=C(Br)C=CC=C1 3485526 [1,1,0,0,0,0|1,1,0]=4 259 B10R1.61 N=C(N)C1=C(F)C=CC=C1 3515450 [1,1,0,0,0,0|0,1,1]=4 260 B10R1.61 NC(=O)C1=CC=CC=C1N 0125330235 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.61 NC(=O)C1=CC=CC=C1O 2131902 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.61 NC(=S)C1=C(Cl)C=CC=C1 7020331321 [1,1,0,0,0,0|0,0,1]=3 263 B10R1.61 NC(=S)C1=C(F)C=CC=C1 7020331314 [1,1,0,0,0,0|0,1,1]=4 264 B10R1.61 O=C(Cl)C1=CC=CC=C1Cl 1051740 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 1902292 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CC=C1 2830993 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.245 CC1=CC=CC(C)=C1CCl 2048808 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.245 ClCC1=C(Cl)C=CC=C1Cl 2961678 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.245 FC1=CC=CC(Cl)=C1CCl 2849004 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.245 N#CC1=C(Cl)C=CC=C1Cl 2845093 [1,1,0,0,0,0|0,0,2]=4 271 B10R1.245 O=CC1=C(Cl)C=CC=C1Cl 7014250488 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.245 O=CC1=C(Cl)C=CC=C1F 7018801953 [1,1,0,0,0,0|1,0,1]=4 273 B12R1.25 NCCCC1=CC=CC(F)=C1Br 5835123 [0,2,0,0,0,0|0,1,0]=3 274 B12R1.69 CC1=C(OCCN)C=CC(Cl)=C1 7020330491 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.69 CC1=CC(=O)N(CCCN)C=C1 1324657 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.69 CCCOC1=CC=C(C)C=C1N 1367265 [0,2,0,0,0,0|2,0,0]=4 277 B12R1.121 CCCNC1=C(OC)C=CC=C1 1367252 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.121 CCCOC1=C(C=O)C=CC=C1 2083919 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.121 CNCCC1=C(OC)C=CC=C1 7020694233 [0,2,0,0,0,0|1,0,0]=3 280 B12R1.121 COC1=C(OCCN)C=CC=C1 15298415 [0,2,0,0,0,0|1,0,0]=3 281 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 1512405 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 7113225356 [0,2,0,0,0,0|1,0,1]=4 283 B12R1.125 CC1=C(OCC(N)=S)C=CC=C1 7020331591 [0,2,0,0,0,0|1,0,1]=4 284 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 1376061 [0,2,0,0,0,0|1,0,1]=4 285 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 1512707 [0,2,0,0,0,0|1,1,0]=4 286 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 7020400402 [0,2,0,0,0,0|1,0,0]=3 287 B12R1.125 O=C(O)CCC1=CC=CC=C1F 7020400397 [0,2,0,0,0,0|1,1,0]=4 288 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 0107930010 [0,2,0,0,0,0|1,0,1]=4 289 B12R1.267 CC1=C(CCCCN)C=CC=C1 1038739 [0,2,0,0,0,0|1,0,0]=3 290 B12R1.267 CC1=C(OCCC#N)C=CC=C1 1288008 [0,2,0,0,0,0|1,0,1]=4 291 B12R1.267 N#CCCCC1=C(F)C=CC=C1 5963366 [0,2,0,0,0,0|0,1,1]=4 292 B12R1.267 NCCCCC1=C(Cl)C=CC=C1 1038748 [0,2,0,0,0,0|0,0,0]=2 293 B12R1.267 NCCCCC1=C(Cl)C=CC=C1 7571173 [0,2,0,0,0,0|0,0,0]=2 294 B12R1.267 NCCCCC1=C(F)C=CC=C1 1038742 [0,2,0,0,0,0|0,1,0]=3 295 B12R1.308 CCCC(=O)C1=C(F)C=CC=C1 1505986 [0,2,0,0,0,0|1,1,0]=4 296 B12R1.308 CNCC(O)C1=C(Cl)C=CC=C1 1055897 [0,2,0,0,0,0|0,0,0]=2 297 B12R1.371 CC1=CC=CC=C1OC(=O)CN 1902647 [0,2,0,0,0,0|1,0,1]=4 298 B12R1.371 O=C(CCl)NC1=C(Cl)C=CC=C1 1195624 [0,2,0,0,0,0|1,0,1]=4 299 B12R1.374 N#CCOC1=C(Cl)C=CC(Cl)=C1 7020687433 [0,2,0,0,0,0|0,0,2]=4 300 B12R1.374 NCCCN1C=C(Cl)C=CC1=O 1324660 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.1631 CC1=CC=CC(C)=C1OCCN 7020330478 [0,2,0,0,0,0|1,0,0]=3 302 B12R1.1631 NCCCC1=C(F)C=CC=C1Cl 1038725 [0,2,0,0,0,0|0,0,0]=2 303 B12R1.1631 NOCCC1=C(F)C=CC=C1F 5963277 [0,2,0,0,0,0|0,1,0]=3 304 B12R1.77 COC1=C(C(C)CO)C=CC=C1 1780187 [0,2,0,0,0,0|2,0,0]=4 305 B12R1.233 CN(C)CC1=CC=C(N)C=C1Cl 1133304 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.1123 CC1=CC(O)=C(O)C=C1CCN 4675078 [0,2,0,0,0,0|1,0,0]=3 307 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1Cl 7217890083 [0,2,0,0,0,0|1,0,1]=4 308 B12R1.151 O=S(=O)(Cl)CC1=CC=CC=C1Cl 7020431076 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.354 CCC(=O)C1=CC(Cl)=CC=C1Cl 1313107 [0,2,0,0,0,0|1,0,1]=4 310 B12R1.354 CCC(O)C1=C(C)C=CC(Br)=C1 12481902 [0,2,0,0,0,0|2,0,0]=4 311 B12R1.195 CC(C)(CN)C1=CC=CC=C1F 1059667 [0,2,0,0,0,0|0,1,0]=3 312 B10R2.6 C1=CC=C(C2CN2)C=C1 4194135 [1,0,0,1,0,0|0,0,0]=2 313 B10R2.6 C1=CC=C(C2CO2)C=C1 1205184 [1,0,0,1,0,0|1,0,0]=3 314 B10R2.7 C1=CC2=C(C=C1)NCC2 2826118 [1,0,0,1,0,0|0,0,0]=2 315 B10R2.7 C1=CC2=C(C=C1)OCC2 2826125 [1,0,0,1,0,0|1,0,0]=3 316 B10R2.7 C1=CC=C2CCCC2=C1 1778681 [1,0,0,1,0,0|1,0,0]=3 317 B10R2.7 C1=CC=C2CNCC2=C1 2087229 [1,0,0,1,0,0|2,0,0]=4 318 B10R2.7 C1=CC=C2NC=CC2=C1 2826038 [1,0,0,1,0,0|0,0,2]=4 319 B10R2.7 C1=CC=C2NC=NC2=C1 1234652 [1,0,0,1,0,0|1,0,1]=4 320 B10R2.7 C1=CC=C2NN=CC2=C1 1435639 [1,0,0,1,0,0|1,0,1]=4 321 B10R2.7 C1=CC=C2NN=NC2=C1 2030889 [1,0,0,1,0,0|2,0,0]=4 322 B10R2.7 C1=CC=C2OCOC2=C1 2826166 [1,0,0,1,0,0|2,0,0]=4 323 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 6932228 [0,1,0,1,0,0|0,0,1]=3 324 B12R2.1081 NC1=C2NCCCC2=CC=C1 1055742 [0,1,0,1,0,0|2,0,0]=4 325 B12R2.1081 NC1CCCC2=CC=CC=C21 5011931 [0,1,0,1,0,0|2,0,0]=4 326 B12R2.1081 NC1CCOC2=C1C=CC=C2 7020610028 [0,1,0,1,0,0|2,0,0]=4 327 B12R2.1081 O=C1CCCC2=C1C=CC=C2 1202501 [0,1,0,1,0,0|2,0,0]=4 328 B12R2.1081 OC1=C2CCCCC2=CC=C1 2819875 [0,1,0,1,0,0|2,0,0]=4 329 B12R2.1081 OC1CCNC2=CC=CC=C21 3508271 [0,1,0,1,0,0|2,0,0]=4 330 B12R2.1081 OC1CCOC2=CC=CC=C21 1298907 [0,1,0,1,0,0|2,0,0]=4 331 B12R2.24 CC1CNC2=CC=CC=C2C1 1050537 [0,1,0,1,0,0|2,0,0]=4 332 B12R2.24 CC1CNC2=CC=CC=C2O1 1217660 [0,1,0,1,0,0|2,0,0]=4 333 B12R2.24 CC1CNC2=CC=CC=C2O1 2204844 [0,1,0,1,0,0|2,0,0]=4 334 B12R2.24 NC1=CC=C2CCCNC2=C1 1202146 [0,1,0,1,0,0|2,0,0]=4 335 B12R2.24 NC1=CC=C2CCNCC2=C1 6641961 [0,1,0,1,0,0|1,0,0]=3 336 B12R2.24 NC1=CC=C2NCCCC2=C1 1202147 [0,1,0,1,0,0|2,0,0]=4 337 B12R2.24 NC1=NC2=CC=CC=C2CS1 5009562 [0,1,0,1,0,0|1,0,1]=4 338 B12R2.24 NC1COC2=CC=CC=C2C1 1179713 [0,1,0,1,0,0|1,0,0]=3 339 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 2819843 [0,1,0,1,0,0|2,0,0]=4 340 B12R2.24 O=C1CCC2=CC=CC=C2N1 1655132 [0,1,0,1,0,0|2,0,0]=4 341 B12R2.24 OC1=CC=C2CCCCC2=C1 1507475 [0,1,0,1,0,0|2,0,0]=4 342 B12R2.32 BrCC1CC2=CC=CC=C2O1 1118572 [0,1,0,1,0,0|2,0,0]=4 343 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 2214407 [0,1,0,1,0,0|1,0,1]=4 344 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 4347307 [0,1,0,1,0,0|1,0,1]=4 345 B12R2.32 NCC1=NC2=CC=CC=C2N1 1056475 [0,1,0,1,0,0|1,0,1]=4 346 B12R2.32 NCC1=NC2=CC=CC=C2N1 1311660 [0,1,0,1,0,0|1,0,1]=4 347 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 1202565 [0,1,0,1,0,0|1,0,0]=3 348 B12R2.196 O=C1CCC2=C(O)C=CC=C12 2828882 [0,1,0,1,0,0|2,0,0]=4 349 B12R2.1 NCC1=CNC2=CC=CC=C12 7020690230 [0,1,0,1,0,0|1,0,1]=4 350 B12R2.18 NC1CC2=CC=CC=C2C1O 2048787 [0,1,0,1,0,0|1,0,0]=3 351 B12R2.2048 COC1=C(C2CO2)C=CC=C1 1205191 [0,1,0,1,0,0|2,0,0]=4 352 B12R2.88 NC1(C2=CC=CC=C2F)CC1 1059739 [0,1,0,1,0,0|1,1,0]=4 353 B12R2.203 ClC1=C2C(=CC=C1)NN=C2Br 7215204 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.8 NCCC1=CN=CN1 2816948 [1,0,0,0,1,0|2,0,0]=4 355 B8R1.8 NCCC1=CN=CN1 5662517 [1,0,0,0,1,0|2,0,0]=4 356 B8R1.8 NCCC1=CNC=N1 3354315 [1,0,0,0,1,0|2,0,0]=4 357 B8R1.8 NCCC1=CNC=N1 4434673 [1,0,0,0,1,0|2,0,0]=4 358 B8R1.8 NCCC1=CSC=N1 7020691339 [1,0,0,0,1,0|2,0,0]=4 359 B8R1.8 NCCC1=NC=CS1 1059793 [1,0,0,0,1,0|2,0,0]=4 360 B8R1.8 NCCC1=NC=CS1 3851317 [1,0,0,0,1,0|2,0,0]=4 361 B8R1.8 NCCN1C=CC=C1 1048773 [1,0,0,0,1,0|1,0,0]=3 362 B8R1.8 NCCN1C=CC=C1 8916334 [1,0,0,0,1,0|1,0,0]=3 363 B8R1.8 NCCN1C=CC=N1 7138650 [1,0,0,0,1,0|2,0,0]=4 364 B8R1.8 NCCN1C=CN=C1 7138652 [1,0,0,0,1,0|2,0,0]=4 365 B8R1.8 OCCC1=CC=CS1 22430596 [1,0,0,0,1,0|2,0,0]=4