0 B10R0.71 C=C\C=C\C=C\CCCCC HR145099 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.71 CCCCCCCCCC=O HR134642 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.71 CCCCCCC\C=C\C=O HR128736 [0,0,0,0,0,0|0,0,2]=2 3 B10R0.71 CCCCCCC\C=C\C=O HR131473 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.71 CCCCC\C=C\C=C\C=O HR115428 [0,0,0,0,0,0|0,0,0]=0 5 B10R0.71 CCCCC\C=C\C=C\C=O HR141503 [0,0,0,0,0,0|0,0,0]=0 6 B10R0.71 CCCCC\C=C\C=C\CO HR127508 [0,0,0,0,0,0|0,0,2]=2 7 B9R0.45 CCCCCCCCC=O HR129436 [1,0,0,0,0,0|0,0,3]=4 8 B9R0.45 CCCCCCCOC=O HR112750 [1,0,0,0,0,0|1,0,2]=4 9 B9R0.45 CCCCCC\C=C\C=O HR102101 [1,0,0,0,0,0|0,0,1]=2 10 B9R0.45 CCCCCC\C=C\C=O HR125439 [1,0,0,0,0,0|0,0,1]=2 11 B9R0.45 CCCCCC\C=C\CO HR110285 [1,0,0,0,0,0|0,0,3]=4 12 B9R0.45 CCCCC\C=C\CC=O HR101775 [1,0,0,0,0,0|0,0,1]=2 13 B9R0.45 CCCC\C=C\C=C\C=O HR129759 [1,0,0,0,0,0|0,0,0]=1 14 B9R0.45 CC\C=C\CC\C=C\C=O HR140716 [1,0,0,0,0,0|0,0,3]=4 15 B11R0.3 CCCCCCCC\C=C\C=O HR113538 [0,1,0,0,0,0|0,0,2]=3 16 B11R0.3 CCCCCCCC\C=C\C=O HR127942 [0,1,0,0,0,0|0,0,2]=3 17 B11R0.3 CCCCCCCC\C=C\C=O HR145487 [0,1,0,0,0,0|0,0,2]=3 18 B11R0.3 CCCCCC\C=C\C=C\C=O HR107761 [0,1,0,0,0,0|0,0,0]=1 19 B11R0.40 CCCCCC\C=C\C(=O)OC HR132906 [0,1,0,0,0,0|2,0,1]=4 20 B11R0.140 C\C=C\C=C\C(=O)OCCCC HR122289 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.4 CCCCCCC1=CC=CS1 HR112963 [0,0,0,1,0,0|0,1,1]=3 22 B11R1.4 CCCCCCC1=CSC=C1 HR132471 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.17 CCCOC1=C(O)C=CC=C1 HR13203 [0,0,0,1,0,0|1,0,2]=4 24 B11R1.17 NCCCN1C=CC=CC1=O HR118226 [0,0,0,1,0,0|2,0,0]=3 25 B11R1.17 OCCCC1=C(Br)C=CC=C1 HR116391 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.28 BrCCCCC1=CC=CC=C1 HR127944 [0,0,0,1,0,0|2,0,0]=3 27 B11R1.28 BrCCCOC1=CC=CC=C1 HR131909 [0,0,0,1,0,0|3,0,0]=4 28 B11R1.28 BrCCOCC1=CC=CC=C1 HR128662 [0,0,0,1,0,0|3,0,0]=4 29 B11R1.28 CCCCCC1=CC=CC=C1 HR16788 [0,0,0,1,0,0|1,0,0]=2 30 B11R1.28 CCCCCC1=NC=CC=C1 HR126861 [0,0,0,1,0,0|1,0,0]=2 31 B11R1.28 CCCCCc1ccccc1 HR125033 [0,0,0,1,0,0|1,0,0]=2 32 B11R1.28 CCCCCc1ccccc1 HR144114 [0,0,0,1,0,0|1,0,0]=2 33 B11R1.28 CCCCOC1=CC=CC=C1 HR126122 [0,0,0,1,0,0|2,0,0]=3 34 B11R1.28 CCCNCC1=CC=CC=C1 HR116670 [0,0,0,1,0,0|2,0,0]=3 35 B11R1.28 CCOCCC1=CC=CC=C1 HR133449 [0,0,0,1,0,0|2,0,0]=3 36 B11R1.28 CNCCCC1=CC=CC=C1 HR143705 [0,0,0,1,0,0|2,0,0]=3 37 B11R1.28 CNCCCC1=NC=CC=C1 HR108234 [0,0,0,1,0,0|2,0,0]=3 38 B11R1.28 ClCCCCc1ccncc1 HR111365 [0,0,0,1,0,0|3,0,0]=4 39 B11R1.28 ClCCNCC1=CC=CC=C1 HR104191 [0,0,0,1,0,0|3,0,0]=4 40 B11R1.28 NCCCCC1=CC=CC=C1 HR135987 [0,0,0,1,0,0|2,0,0]=3 41 B11R1.28 NCCNCC1=CC=CC=C1 HR133429 [0,0,0,1,0,0|3,0,0]=4 42 B11R1.28 NCCOCC1=CC=CC=C1 HR104976 [0,0,0,1,0,0|3,0,0]=4 43 B11R1.28 OCCCCC1=CC=CC=C1 HR124038 [0,0,0,1,0,0|2,0,0]=3 44 B11R1.28 OCCCCC1=CC=NC=C1 HR124072 [0,0,0,1,0,0|3,0,0]=4 45 B11R1.28 OCCCCC1=NC=CC=C1 HR106714 [0,0,0,1,0,0|2,0,0]=3 46 B11R1.28 OCCCOC1=CC=CC=C1 HR130374 [0,0,0,1,0,0|3,0,0]=4 47 B11R1.28 OCCNCC1=CC=CC=C1 EDCQ03601 [0,0,0,1,0,0|3,0,0]=4 48 B11R1.28 OCCOCC1=CC=CC=C1 HR1939 [0,0,0,1,0,0|3,0,0]=4 49 B11R1.28 OCCSCC1=CC=CC=C1 HR139277 [0,0,0,1,0,0|3,0,0]=4 50 B11R1.41 CCOC1=C(C=O)C=CC=C1 HR142460 [0,0,0,1,0,0|1,0,2]=4 51 B11R1.41 CCOC1=NC=CC=C1C=O HR152456 [0,0,0,1,0,0|2,0,1]=4 52 B11R1.41 O=CC1=C(CCBr)C=CC=C1 HR129654 [0,0,0,1,0,0|1,0,2]=4 53 B8R0.4 CCCCCCCC=O HR138555 [2,0,0,0,0,0|0,0,2]=4 54 B8R0.4 CCCCC\C=C\C=O HR133342 [2,0,0,0,0,0|0,0,0]=2 55 B8R0.4 CCC\C=C\C=C\C=O HR129261 [2,0,0,0,0,0|0,0,0]=2 56 B8R0.4 CCC\C=C\C=C\C=O HR144535 [2,0,0,0,0,0|0,0,0]=2 57 B10R0.91 C=CCOC(=O)CCCCC HR122509 [1,1,0,0,0,0|1,0,1]=4 58 B12R0.5 CCCCCCCCC\C=C\C=O HR128478 [0,2,0,0,0,0|0,0,2]=4 59 B12R0.5 CCCCCCC\C=C\C=C\C=O HR105608 [0,2,0,0,0,0|0,0,0]=2 60 B12R0.5 C\C=C\C=C\CCCCCCCO HR140246 [0,2,0,0,0,0|1,0,1]=4 61 B12R0.234 CCCCCCC\C=C\CC(C)=O HR112059 [0,2,0,0,0,0|0,0,2]=4 62 B12R0.234 O=C(O)\C=C\CCCCCCCO HR135287 [0,2,0,0,0,0|0,0,2]=4 63 B12R0.234 O=C(O)\C=C\CCCCCCCO HR136848 [0,2,0,0,0,0|0,0,2]=4 64 B12R0.248 CCCCC\C=C\C=C\C(=O)OC HR101031 [0,2,0,0,0,0|0,0,0]=2 65 B10R1.4 CCCC1=C(N)C=CC=C1 HR101743 [1,0,0,1,0,0|1,0,1]=4 66 B10R1.4 NCCN1C=CC=CC1=O HR118539 [1,0,0,1,0,0|2,0,0]=4 67 B10R1.4 O=C1C=CC=CN1CCCl HR112700 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.17 BrCCCC1=CC=CC=C1 HR106413 [1,0,0,1,0,0|1,0,1]=4 69 B10R1.17 CCCCC1=NC=CC=C1 HR130041 [1,0,0,1,0,0|1,0,0]=3 70 B10R1.17 CCCCC1=NC=CN=C1 HR117547 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.17 CCCC[N+]1=CC=CC=C1 HR129252 [1,0,0,1,0,0|1,0,0]=3 72 B10R1.17 CCCC[N+]1=CC=CC=C1 HR133271 [1,0,0,1,0,0|1,0,0]=3 73 B10R1.17 CCCC[n+]1ccccc1 HR102811 [1,0,0,1,0,0|1,0,0]=3 74 B10R1.17 CCCC[n+]1ccccc1 HR113588 [1,0,0,1,0,0|1,0,0]=3 75 B10R1.17 CCCNC1=CC=CC=C1 HR129739 [1,0,0,1,0,0|1,0,1]=4 76 B10R1.17 CCCOC1=CC=CC=C1 HR112246 [1,0,0,1,0,0|1,0,1]=4 77 B10R1.17 CCNCC1=CC=CC=C1 HR126061 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.17 CCOCC1=CC=CC=C1 HR135944 [1,0,0,1,0,0|1,0,1]=4 79 B10R1.17 CNCCc1ccccc1 HR117849 [1,0,0,1,0,0|1,0,1]=4 80 B10R1.17 CNCCc1ccccn1 HR108850 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.17 CNCCc1ccccn1 HR138471 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.17 CNCCc1ccccn1 HR138733 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.17 COCCC1=CC=CC=C1 HR133177 [1,0,0,1,0,0|1,0,1]=4 84 B10R1.17 ClCCCC1=CC=CC=C1 HR126996 [1,0,0,1,0,0|1,0,1]=4 85 B10R1.17 NCCCC1=CC=CC=C1 HR143725 [1,0,0,1,0,0|1,0,1]=4 86 B10R1.17 NCCCC1=NC=CC=C1 HR110635 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.17 OCCCC1=CC=CC=C1 HR132460 [1,0,0,1,0,0|1,0,1]=4 88 B10R1.17 OCCCc1ccccn1 HR136000 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.20 CCC1=C(C=O)C=CC=C1 HR3074 [1,0,0,1,0,0|0,0,2]=4 90 B10R1.21 CCCCCC1=CC=CO1 HR126128 [1,0,0,1,0,0|0,0,1]=3 91 B10R1.21 CCCCCC1=CC=CS1 HR130563 [1,0,0,1,0,0|0,1,0]=3 92 B10R1.21 CCCCCC1=CSC=C1 HR112097 [1,0,0,1,0,0|1,0,0]=3 93 B10R1.21 CCCCCN1C=CN=C1 HR34005 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.29 CCCCC1=C(Br)SC=C1 HR116115 [1,0,0,1,0,0|2,0,0]=4 95 B12R1.8 BrCCCCCC1=CC=CC=C1 HR125680 [0,1,0,1,0,0|1,0,0]=3 96 B12R1.8 BrCCCCOC1=CC=CC=C1 HR142753 [0,1,0,1,0,0|2,0,0]=4 97 B12R1.8 BrCCCOCC1=CC=CC=C1 HR114819 [0,1,0,1,0,0|2,0,0]=4 98 B12R1.8 CCCCCCC1=CC=CC=C1 HR143920 [0,1,0,1,0,0|1,0,0]=3 99 B12R1.8 CCCCCCC1=NC=CC=C1 HR126066 [0,1,0,1,0,0|1,0,0]=3 100 B12R1.8 CCCCCC[N+]1=CC=CC=C1 HR102492 [0,1,0,1,0,0|1,0,1]=4 101 B12R1.8 CCCCOCC1=CC=CC=C1 HR130481 [0,1,0,1,0,0|1,0,0]=3 102 B12R1.8 ClCCCCOC1=CC=CC=C1 HR125879 [0,1,0,1,0,0|2,0,0]=4 103 B12R1.8 NCCCNCC1=CC=CC=C1 HR116988 [0,1,0,1,0,0|2,0,0]=4 104 B12R1.8 NNCCCCC1=NC=CC=C1 HR106402 [0,1,0,1,0,0|2,0,0]=4 105 B12R1.8 OCCCCCC1=CC=CC=C1 HR33287 [0,1,0,1,0,0|1,0,0]=3 106 B12R1.8 OCCCNCC1=CC=CC=C1 HR105111 [0,1,0,1,0,0|2,0,0]=4 107 B12R1.8 OCCCNCC1=CC=CC=C1 HR116188 [0,1,0,1,0,0|2,0,0]=4 108 B12R1.8 OCCCOCC1=CC=CC=C1 HR130376 [0,1,0,1,0,0|2,0,0]=4 109 B12R1.37 CCCCCCCC1=CC=CO1 HR129439 [0,1,0,1,0,0|0,0,2]=4 110 B12R1.267 CCCCNC1=CC=CC=C1N HR107257 [0,1,0,1,0,0|1,0,1]=4 111 B12R1.267 CCCCOC1=C(Br)C=CC=C1 HR153850 [0,1,0,1,0,0|1,0,1]=4 112 B12R1.372 CCCCCCC1=C(Br)SC=C1 HR113451 [0,1,0,1,0,0|1,0,1]=4 113 B12R1.28 CCCCCC1=CC=CC(=O)O1 HR121158 [0,1,0,1,0,0|0,0,0]=2 114 B12R1.28 CCCCCC1=CC=CC(O)=C1 HR140145 [0,1,0,1,0,0|0,0,1]=3 115 B12R1.28 CCCCNC1=CC(C)=CC=C1 HR134976 [0,1,0,1,0,0|2,0,0]=4 116 B12R1.28 CCCNCC1=CC(Br)=CC=C1 HR154395 [0,1,0,1,0,0|2,0,0]=4 117 B12R1.32 COCC(N)Cc1ccccc1 HR111544 [0,1,0,1,0,0|2,0,0]=4 118 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 HR33193 [0,1,0,1,0,0|0,0,2]=4 119 B12R1.1 CCCCCC1=CC=C(N)C=C1 HR135511 [0,1,0,1,0,0|1,0,0]=3 120 B12R1.1 CCCCCC1=CC=C(O)C=C1 HR134136 [0,1,0,1,0,0|1,0,0]=3 121 B12R1.1 CCCCCc1ccc(Br)cc1 HR133194 [0,1,0,1,0,0|1,0,0]=3 122 B12R1.1 CCCCOC1=CC=C(Br)C=C1 HR100212 [0,1,0,1,0,0|2,0,0]=4 123 B12R1.1 CCCCOC1=CC=C(N)C=C1 HR124060 [0,1,0,1,0,0|2,0,0]=4 124 B12R1.1 CCCCOC1=CC=C(O)C=C1 HR134177 [0,1,0,1,0,0|2,0,0]=4 125 B12R1.1 CCCCOC1=NC=C(Br)C=C1 HR121911 [0,1,0,1,0,0|2,0,0]=4 126 B12R1.7 CCCCCCC1=CC=C(Br)S1 HR153352 [0,1,0,1,0,0|0,1,1]=4 127 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HR134818 [0,1,0,1,0,0|1,0,1]=4 128 B12R1.30 CCCCC(O)C1=CC=CC=C1 HR142459 [0,1,0,1,0,0|1,0,0]=3 129 B12R1.30 CNCCC(O)C1=CC=CC=C1 HR103608 [0,1,0,1,0,0|2,0,0]=4 130 B12R1.30 CNCCC(O)C1=CC=CC=C1 HR130508 [0,1,0,1,0,0|2,0,0]=4 131 B12R1.30 CNCCC(O)C1=CC=CC=C1 HR137217 [0,1,0,1,0,0|2,0,0]=4 132 B12R1.30 CNCCC(O)c1ccccc1 HR100179 [0,1,0,1,0,0|2,0,0]=4 133 B12R1.567 CCCCCC1=C(C)CCC1=O HR137008 [0,1,0,1,0,0|0,0,2]=4 134 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HR146298 [0,1,0,1,0,0|1,0,1]=4 135 B12R1.252 CC(O)COCc1ccccc1 HR109733 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.2 C1=CC=C(C2CCCN2)C=C1 HR130927 [0,0,0,2,0,0|2,0,0]=4 137 B12R2.2 C1=CC=C(C2CCCN2)C=C1 HR145937 [0,0,0,2,0,0|2,0,0]=4 138 B12R2.2 C1=CC=C(C2CCNC2)C=C1 HR103831 [0,0,0,2,0,0|2,0,0]=4 139 B12R2.2 C1=CC=C(C2CCNC2)C=C1 HR121198 [0,0,0,2,0,0|2,0,0]=4 140 B12R2.2 C1=CC=C(C2CCNC2)C=C1 HR140405 [0,0,0,2,0,0|2,0,0]=4 141 B12R2.2 C1=CC=C(N2CCCC2)C=C1 HR133219 [0,0,0,2,0,0|2,0,0]=4 142 B12R2.2 C1=CN=C(C2CCNC2)C=C1 HR114944 [0,0,0,2,0,0|2,0,0]=4 143 B12R2.2 C1=CN=C(N2CCCC2)C=C1 HR110359 [0,0,0,2,0,0|2,0,0]=4 144 B12R2.2 c1ccc(C2CCNC2)cc1 HR145168 [0,0,0,2,0,0|2,0,0]=4 145 B12R2.41 C1=CC2=C(C=C1)CCNCC2 HR112939 [0,0,0,2,0,0|2,0,0]=4 146 B12R2.41 C1=CC2=C(C=C1)CNCCC2 HR148128 [0,0,0,2,0,0|2,0,0]=4 147 B12R2.41 C1=CC2=C(C=C1)NCCCC2 HR105009 [0,0,0,2,0,0|1,0,1]=4 148 B12R2.41 c1cnc2c(c1)CCCCC2 HR115625 [0,0,0,2,0,0|1,0,0]=3 149 B12R2.24 CC1CCC2=CC=CC=C2N1 HR140133 [0,0,0,2,0,0|1,0,1]=4 150 B12R2.1081 CC1CCNC2=CC=CC=C21 HR114938 [0,0,0,2,0,0|2,0,0]=4 151 B12R2.1081 CC1NCCC2=CC=CC=C21 HR111108 [0,0,0,2,0,0|2,0,0]=4 152 B12R2.1081 CN1CCCC2=CC=CC=C21 HR138488 [0,0,0,2,0,0|2,0,0]=4 153 B12R2.1081 NC1=CC=CC2=C1CCCC2 HR146646 [0,0,0,2,0,0|1,0,1]=4 154 B12R2.1081 NC1CCCC2=C1C=CC=N2 HR104803 [0,0,0,2,0,0|2,0,0]=4 155 B12R2.1081 NC1CCCC2=C1C=CC=N2 HR116300 [0,0,0,2,0,0|2,0,0]=4 156 B12R2.1081 NC1CCCC2=CC=CC=C21 DAJL01506 [0,0,0,2,0,0|2,0,0]=4 157 B12R2.1081 NC1CCCC2=CC=CC=C21 HR115497 [0,0,0,2,0,0|2,0,0]=4 158 B12R2.1081 NC1CCCc2ccccc21 HR11534 [0,0,0,2,0,0|2,0,0]=4 159 B12R2.1081 O=C1C=CC=C2NCCCN12 HR32000 [0,0,0,2,0,0|2,0,0]=4 160 B12R2.1081 O=C1CCCC2=C1C=CC=N2 HR104993 [0,0,0,2,0,0|1,0,1]=4 161 B12R2.1081 O=C1CCCC2=CC=CC=C12 HR132797 [0,0,0,2,0,0|0,0,2]=4 162 B12R2.1081 OC1=CC=CC2=C1CCCC2 HR144211 [0,0,0,2,0,0|0,0,2]=4 163 B12R2.1081 OC1CCCC2=CC=CC=C21 HR128181 [0,0,0,2,0,0|2,0,0]=4 164 B12R2.1081 OC1CCCC2=CC=CC=C21 HR144110 [0,0,0,2,0,0|2,0,0]=4 165 B12R2.1 NCC1CCC2=CC=CC=C21 HR120867 [0,0,0,2,0,0|2,0,0]=4 166 B12R2.44 O=CC1=CC=C2CCCC2=C1 HR106974 [0,0,0,2,0,0|0,0,2]=4 167 B12R2.2058 C1=CC=C(SC2CCC2)C=C1 HR105832 [0,0,0,2,0,0|2,0,0]=4 168 B12R2.18 CC1CC2=CC=CC=C2C1=O HR122000 [0,0,0,2,0,0|0,0,2]=4 169 B12R2.2048 O=CC1=C(C2CC2)C=CC=C1 HR154164 [0,0,0,2,0,0|0,0,2]=4