0 B11R1.24 CC1=CC(OCC#N)=CC=C1 7020687451 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.24 CC1=CC(OCCBr)=CC=C1 7110952512 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.24 CC1=CC(OCCN)=CC=C1 7020330517 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.24 CC1=CC=CC(CCC#N)=C1 1512385 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.24 CC1=CC=CC(CCCN)=C1 1038709 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.24 CCCOC1=CC=CC(N)=C1 1285059 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.24 N#CCCC1=CC=CC(Cl)=C1 1512409 [0,0,0,0,0,0|2,1,0]=3 7 B11R1.24 NC1=CC=CC(OCCO)=C1 7110952747 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.24 NCCCC1=CC(O)=CC=C1 1271094 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.24 NCCCC1=CC=CC(Cl)=C1 1038718 [0,0,0,0,0,0|2,1,0]=3 10 B11R1.24 NCCNC1=CC(Cl)=CC=C1 1142656 [0,0,0,0,0,0|3,1,0]=4 11 B10R1.10 CC1=CC=CC(CC#N)=C1 1287074 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.10 CC1=CC=CC(CCN)=C1 1038621 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.10 CCNC1=CC=CC(C)=C1 1220439 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.10 CNCC1=CC(O)=CC=C1 1268164 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.10 CNCC1=CC=CC(O)=C1 3644490 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.10 CSCC1=CC(O)=CC=C1 7575917 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.10 C\N=C\C1=CC=CC(O)=C1 3644500 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.10 FC1=CC=CC(N=C=S)=C1 1055710 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.10 N#CCC1=CC=CC(Cl)=C1 1519438 [1,0,0,0,0,0|0,1,2]=4 20 B10R1.10 NCCC1=CC(Br)=CC=C1 1786240 [1,0,0,0,0,0|0,1,0]=2 21 B10R1.10 NCCC1=CC(Cl)=CC=C1 1038630 [1,0,0,0,0,0|0,1,0]=2 22 B10R1.17 BrCCCC1=CC=CC=C1 1275152 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.17 BrCCOC1=CC=CC=C1 7110952510 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.17 CCCCC1=CC=CC=C1 2827024 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.17 CCNCC1=CC=CC=C1 1366645 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.17 CNCCC1=CC=NC=C1 7020420399 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.17 CNCCC1=NC=CC=C1 4347309 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.17 N#CCCC1=CC=CC=C1 1512383 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.17 N#CCCC1=NC=CC=C1 1973037 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 N#CCOC1=CC=CC=C1 7020402308 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.17 N=C=[SH]CC1=CC=CC=C1 22430371 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.17 NCCCC1=CC=CN=C1 1038705 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.17 NCCOC1=CC=CC=C1 7020330514 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.17 NCCSC1=CC=CC=C1 6137840 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.17 NNCCC1=CC=CC=C1 9080668 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.17 O=C=NCC1=CC=CC=C1 1055530 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.17 O=CCCC1=CC=CC=C1 1191525 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.17 OCCNC1=CC=CC=C1 1866520 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.17 OCCOC1=CC=CC=C1 1275759 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.17 SCCOC1=CC=CC=C1 1310591 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 2818083 [1,0,0,0,0,0|2,0,1]=4 42 B12R1.17 CNCC(O)C1=CC(Cl)=CC=C1 1055898 [0,1,0,0,0,0|0,1,0]=2 43 B12R1.17 CNCC(O)C1=CC=CC(O)=C1 7133118 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.25 NCCCC1=CC=CC(F)=C1Br 5835123 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.28 CC1=CC(OCCC#N)=CC=C1 1519471 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.28 CC1=CC=CC(OCCCBr)=C1 7110952518 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.28 COCCOC1=CC=CC(O)=C1 1367379 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.28 N#CCCOC1=CC=CC(Br)=C1 3112175 [0,1,0,0,0,0|2,1,0]=4 49 B12R1.28 NCCCCC1=CC(Cl)=CC=C1 1038749 [0,1,0,0,0,0|1,1,0]=3 50 B12R1.226 CC(=O)CCC1=CC(Cl)=CC=C1 1974704 [0,1,0,0,0,0|1,1,0]=3 51 B12R1.226 CC(=O)COC1=CC=CC(Br)=C1 1655091 [0,1,0,0,0,0|2,1,0]=4 52 B12R1.226 CC(C)OCC1=CC(N)=CC=C1 2269335 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.226 CC(C)OCC1=CC=CC(O)=C1 7801647 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 2084084 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 7020400394 [0,1,0,0,0,0|2,1,0]=4 56 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 1310637 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 7020400392 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.382 CCCOC1=CC=CC(C=O)=C1 7020401739 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.382 COC1=CC(CCC#N)=CC=C1 1512397 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.382 COC1=CC=CC(CCCBr)=C1 1275160 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.382 COC1=CC=CC(CCCN)=C1 1038715 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.382 COC1=CC=CC(CCCO)=C1 1204353 [0,1,0,0,0,0|3,0,0]=4 63 B12R2.24 FC1=CC2=C(C=C1)OCCO2 6641921 [0,0,0,1,0,0|3,0,0]=4 64 B12R2.24 NC1=CC=C2CCCNC2=C1 1202146 [0,0,0,1,0,0|3,0,0]=4 65 B12R2.24 NC1=CC=C2CCNCC2=C1 6641961 [0,0,0,1,0,0|3,0,0]=4 66 B12R2.24 NC1=CC=C2NCCCC2=C1 1202147 [0,0,0,1,0,0|3,0,0]=4 67 B12R2.24 OC1=CC=C2CCCCC2=C1 1507475 [0,0,0,1,0,0|2,0,0]=3 68 B12R2.612 CN1C=CC2=CC(N)=CC=C21 2204817 [0,0,0,1,0,0|1,0,2]=4 69 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 15386140 [0,0,0,1,0,0|2,0,1]=4 70 B12R2.1081 NC1=C2NCCCC2=CC=C1 1055742 [0,0,0,1,0,0|3,0,0]=4 71 B12R2.1081 OC1=C2CCCCC2=CC=C1 2819875 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.2 CC1=CC=CC(CCl)=C1 2048752 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.2 CC1=CC=CC(CN)=C1 1038610 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.2 CCC1=CC(O)=CC=C1 2826182 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.2 CNC1=CC(O)=CC=C1 2225858 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.2 COC1=CC(N)=CC=C1 1314579 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.2 COC1=CC=CC(Br)=C1 1287416 [2,0,0,0,0,0|1,1,0]=4 78 B9R1.2 COC1=CC=CC(O)=C1 1366571 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.2 ClCC1=CC(Cl)=CC=C1 2048847 [2,0,0,0,0,0|1,1,0]=4 80 B9R1.2 FC1=CC(CCl)=CC=C1 2048769 [2,0,0,0,0,0|1,0,0]=3 81 B9R1.2 N#CC1=CC=CC(F)=C1 1901710 [2,0,0,0,0,0|0,0,2]=4 82 B9R1.2 NCC1=CC=CC(N)=C1 6922927 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.2 NNC1=CC(Cl)=CC=C1 1156640 [2,0,0,0,0,0|1,1,0]=4 84 B9R1.2 NNC1=CC(Cl)=CC=C1 3585957 [2,0,0,0,0,0|1,1,0]=4 85 B9R1.2 O=CC1=CC=CC(F)=C1 1901720 [2,0,0,0,0,0|1,0,1]=4 86 B9R1.8 BrCCC1=CC=CC=C1 2889217 [2,0,0,0,0,0|1,0,0]=3 87 B9R1.8 CCCC1=CC=CC=C1 2826136 [2,0,0,0,0,0|0,0,0]=2 88 B9R1.8 CCNC1=CC=CC=C1 1220427 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.8 CCOC1=CC=CC=C1 2826174 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.8 CNCC1=CC=CC=C1 1268163 [2,0,0,0,0,0|0,0,0]=2 91 B9R1.8 ClCCC1=CC=CC=C1 2827551 [2,0,0,0,0,0|1,0,0]=3 92 B9R1.8 N#CCC1=CC=CC=C1 1519434 [2,0,0,0,0,0|0,0,2]=4 93 B9R1.8 NCCC1=CC=CC=C1 1038619 [2,0,0,0,0,0|0,0,0]=2 94 B9R1.8 NNCC1=CC=CC=C1 1972969 [2,0,0,0,0,0|1,0,0]=3 95 B9R1.8 O=CCC1=CC=CC=C1 1204419 [2,0,0,0,0,0|1,0,1]=4 96 B9R1.8 OCCC1=CC=CC=C1 1204382 [2,0,0,0,0,0|1,0,0]=3 97 B9R1.8 OCCC1=CC=CC=N1 1204379 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.8 [C]=NCC1=CC=CC=C1 5679156 [2,0,0,0,0,0|0,0,2]=4 99 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 974790 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.23 NC(CO)C1=CC(Br)=CC=C1 1792542 [1,1,0,0,0,0|1,1,0]=4 101 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 2237611 [1,1,0,0,0,0|0,1,1]=4 102 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 1055870 [1,1,0,0,0,0|0,1,0]=3 103 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 1056056 [1,1,0,0,0,0|1,0,1]=4 104 B11R1.157 CC(C)CC1=CC=CC(N)=C1 1366801 [1,1,0,0,0,0|1,0,0]=3 105 B11R1.157 CN(C)CC1=CC(O)=CC=C1 3669154 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 2024108 [1,1,0,0,0,0|1,0,1]=4 107 B11R1.182 CCOC1=CC(Br)=CC=C1O 7020688452 [1,1,0,0,0,0|1,1,0]=4 108 B11R1.189 CCOC1=CC=CC(C=O)=C1 7020401738 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.189 CNCC1=CC(OC)=CC=C1 1268217 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.192 NCCC1=CC=C(N)C(N)=C1 1510025 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.1 CC1=CC=C(CCCO)C=C1 1204348 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.1 CCCCC1=CC=C(N)C=C1 2829025 [1,1,0,0,0,0|1,0,0]=3 113 B11R1.1 CCCOC1=CC=C(N)C=C1 1232813 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.1 ClCCCC1=CC=C(Br)C=C1 1275149 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.1 NCCCC1=CC=C(O)C=C1 1271093 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.16 CC(CCN)C1=CC=CC=C1 1042418 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.16 CNCC(O)C1=CC=NC=C1 1366889 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.17 BrCCCC1=CC=CC=C1Br 6184625 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.17 CCCNC1=C(Cl)C=CC=C1 1367451 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.17 FC1=CC=CC=C1CCCCl 1275126 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.17 OCCCC1=CC=CC=C1F 1204349 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.28 BrCCCOC1=CC=CC=C1 7110952516 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.28 CCNCCC1=CC=NC=C1 7020420400 [1,1,0,0,0,0|1,0,0]=3 124 B11R1.28 N#CCCNC1=CC=CC=C1 1179089 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.28 N#CCCOC1=CC=CC=C1 2828791 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.28 NCCCCC1=CC=CC=C1 1038738 [1,1,0,0,0,0|1,0,0]=3 127 B11R1.28 NCCCCC1=CC=NC=C1 1038737 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.28 NCCCOC1=CC=CC=C1 0125160288 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.28 NOCCOC1=CC=CC=C1 1203025 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.28 O=C=NCCC1=CC=CC=C1 1055543 [1,1,0,0,0,0|0,0,2]=4 131 B11R1.28 OCCNCC1=CC=CC=C1 11774163 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.28 OCCNCC1=CC=CC=C1 7116010885 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.40 CC(CN)CC1=CC=CC=C1 1048249 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.40 COC(=O)CC1=CC=CC=C1 1902120 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.40 NC(CO)CC1=CC=CC=C1 7020694207 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.91 C=C(C)COC1=CC=CC=C1 5914055 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.91 CC(=O)CCC1=CC=CC=C1 1043589 [1,1,0,0,0,0|1,0,0]=3 138 B11R1.91 CC(C)NCC1=CC=CC=C1 1366807 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 1051731 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.91 O=C(O)CCC1=CC=CC=C1 7020400414 [1,1,0,0,0,0|2,0,0]=4 141 B13R1.460 CNCC(O)C1=CC(OC)=CC=C1 1055895 [0,2,0,0,0,0|1,0,0]=3 142 B13R1.6 CC1=CC=CC(OCCCCBr)=C1 7110952521 [0,2,0,0,0,0|2,0,0]=4 143 B13R1.666 COC1=CC=CC(CCCCN)=C1 1038746 [0,2,0,0,0,0|2,0,0]=4 144 B13R1.148 CC(=O)C(=O)CC1=CC(F)=CC=C1 5813860 [0,2,0,0,0,0|1,0,1]=4 145 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O 11186706 [0,2,0,0,0,0|2,0,0]=4 146 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O 2886961 [0,2,0,0,0,0|2,0,0]=4 147 B13R1.838 CC(C)(N)CCC1=CC(Cl)=CC=C1 1905968 [0,2,0,0,0,0|1,1,0]=4 148 B13R1.838 CC(C)(O)CCC1=CC(Cl)=CC=C1 1906101 [0,2,0,0,0,0|1,1,0]=4 149 B11R2.36 BrC1=CC2=C(C=C1)NCC2 1362067 [1,0,0,1,0,0|0,1,0]=3 150 B11R2.106 NC1=C2COCC2=CC=C1 3666344 [1,0,0,1,0,0|2,0,0]=4 151 B11R2.1 CN1C=CC2=C1C=CC=C2 2826786 [1,0,0,1,0,0|0,0,2]=4 152 B11R2.1 CN1CCC2=CC=CC=C21 3585918 [1,0,0,1,0,0|0,0,0]=2 153 B11R2.1 O=C1CCC2=CC=CC=C12 1202552 [1,0,0,1,0,0|2,0,0]=4 154 B11R2.20 C1=CC2=C(C=C1)CNCC2 1038831 [1,0,0,1,0,0|0,0,0]=2 155 B11R2.20 C1=CC=C2CCCCC2=C1 2826907 [1,0,0,1,0,0|1,0,0]=3 156 B11R2.20 C1=CC=C2NCCCC2=C1 2048736 [1,0,0,1,0,0|2,0,0]=4 157 B11R2.10 BrC1=CC2=C(CCNC2)N1 6300641 [0,0,0,1,1,0|1,1,0]=4 158 B13R2.13 NC1=CC(N2CCCC2)=CC=C1 1367111 [0,1,0,1,0,0|2,0,0]=4 159 B13R2.136 NCC1CC1C2=CC(F)=CC=C2 2202925 [0,1,0,1,0,0|1,0,0]=3 160 B13R2.162 ClC1=CC=C2CCCC(Cl)C2=C1 1202633 [0,1,0,1,0,0|1,1,0]=4 161 B13R2.162 O=C1CCCC2=CC=C(F)C=C12 1202503 [0,1,0,1,0,0|1,0,1]=4 162 B13R2.162 OC1CCCC2=C1C=C(Cl)C=C2 1202577 [0,1,0,1,0,0|1,1,0]=4 163 B13R2.342 OC1=CC=CC2=C1CCCC2O 2832932 [0,1,0,1,0,0|2,0,0]=4 164 B13R2.662 OCN1CCC2=CC(Br)=CC=C21 6923425 [0,1,0,1,0,0|0,1,0]=3 165 B13R2.3729 ClC1=CC=C2CCCNCC2=C1 2049177 [0,1,0,1,0,0|1,1,0]=4 166 B13R2.3729 FC1=CC=C2CCCNCC2=C1 2048912 [0,1,0,1,0,0|1,0,0]=3 167 B13R2.5179 CN1CCCC2=C1C=CC(Br)=C2 1362070 [0,1,0,1,0,0|0,1,0]=3 168 B13R2.5190 CN1C(=O)CC2=CC(O)=CC=C21 3671974 [0,1,0,1,0,0|1,0,1]=4 169 B13R2.3108 C[N+]1(C)CCC2=C1C=CC(Br)=C2 6849464 [0,1,0,1,0,0|0,1,1]=4 170 B13R2.57 OCC1=CC2=C(C=C1)CCCC2 1779850 [0,1,0,1,0,0|2,0,0]=4 171 B13R2.1613 COC1=C2CNCCC2=CC=C1 6050982 [0,1,0,1,0,0|1,0,0]=3 172 B13R2.2130 CN1CCC2=CC(C=O)=CC=C21 1198513 [0,1,0,1,0,0|1,0,0]=3 173 B9R1.7 NCCC1=CC(Cl)=CS1 11639058 [1,0,0,0,1,0|1,1,0]=4 174 B9R1.12 CNCCC1=CN=CN1 4667144 [1,0,0,0,1,0|2,0,0]=4 175 B9R1.12 CNCCC1=CNC=N1 4667147 [1,0,0,0,1,0|2,0,0]=4