0 B9R1.12 C=NCCC1=CC=CS1 HR118796 [0,0,0,0,0,0|1,1,1]=3 1 B9R1.12 CCCCC1=CC=CS1 HR153368 [0,0,0,0,0,0|0,1,0]=1 2 B9R1.12 CCCCC1=CSC=C1 HR104000 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.12 CCCCN1C=CC=N1 HR153200 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.12 CCCCN1C=CN=C1 HR147152 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.12 CCCCn1cnnc1 HR126358 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.12 CCNCC1=CC=CS1 HR115954 [0,0,0,0,0,0|1,1,0]=2 7 B9R1.12 CSSCC1=CC=CO1 HR131545 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.12 N#CCCN1C=CC=C1 HR142479 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.12 NCCCN1C=CN=C1 HR127677 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.12 O=C\C=C\C1=CC=CO1 HR124236 [0,0,0,0,0,0|1,0,3]=4 11 B9R1.12 O=C\C=C\C1=CC=CO1 HR138531 [0,0,0,0,0,0|1,0,3]=4 12 B9R1.12 OCCCC1=CC=CS1 HR103357 [0,0,0,0,0,0|1,1,0]=2 13 B9R1.12 OCCCC1=CN=CN1 HR34117 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.12 OCCCC1=CON=C1 HR106355 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.12 S=COCC1=CC=CO1 HR125026 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.8 BrCCC1=CC=CS1 HR139597 [1,0,0,0,0,0|1,1,0]=3 17 B8R1.8 CCCC1=CSC=C1 HR111780 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.8 CCCC1=NC=CN1 HR125523 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.8 CCCC1=NC=CS1 HR129777 [1,0,0,0,0,0|1,1,0]=3 20 B8R1.8 CCCN1C=CC=N1 HR153199 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.8 CCCc1cccs1 HR132275 [1,0,0,0,0,0|0,1,0]=2 22 B8R1.8 CCOC1=NC=CS1 HR132829 [1,0,0,0,0,0|2,1,0]=4 23 B8R1.8 CNCC1=CC=CS1 HR110963 [1,0,0,0,0,0|1,1,0]=3 24 B8R1.8 CNCC1=CC=CS1 HR117241 [1,0,0,0,0,0|1,1,0]=3 25 B8R1.8 CNCC1=CC=NN1 HR111449 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.8 CNCC1=CC=NO1 HR110883 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.8 CNCC1=NC=CS1 HR111086 [1,0,0,0,0,0|2,1,0]=4 28 B8R1.8 CNCC1=NOC=C1 HR104509 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.8 COCC1=CC=CS1 HR153359 [1,0,0,0,0,0|1,1,0]=3 30 B8R1.8 CSCC1=CC=CO1 HR129428 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.8 ClCCC1=CC=CS1 HR118860 [1,0,0,0,0,0|1,1,0]=3 32 B8R1.8 ClCCC1=NC=CN1 HR104772 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.8 N#CCC1=CC=CS1 HR134457 [1,0,0,0,0,0|1,1,1]=4 34 B8R1.8 NCCC1=CC=CO1 HR118527 [1,0,0,0,0,0|1,0,0]=2 35 B8R1.8 NCCC1=CC=CS1 HR127239 [1,0,0,0,0,0|1,1,0]=3 36 B8R1.8 NCCC1=CNC=N1 HR122599 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.8 NCCC1=CNC=N1 HR135573 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.8 NCCC1=CNC=N1 HR135577 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.8 NCCC1=CSC=C1 HR108024 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.8 NCCN1C=CC=N1 HR108678 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.8 NCCc1ccsc1 HR118216 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.8 O=CCC1=CC=CS1 HR104291 [1,0,0,0,0,0|1,1,1]=4 43 B8R1.8 OCCC1=CC=CS1 HR126977 [1,0,0,0,0,0|1,1,0]=3 44 B8R1.8 OCCC1=CNC=N1 HR138319 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.8 OCCC1=CSC=C1 HR122222 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.11 CCOC(=O)C1=CC=CN1 HR14843 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.11 CCOC(=O)C1=CC=CO1 HR131883 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.11 CCOC(=O)C1=CC=CS1 HR123759 [0,1,0,0,0,0|1,1,1]=4 49 B10R1.11 CCOC(=O)C1=CN=CO1 HR120344 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.11 CCOC(=O)C1=NC=CO1 HR102588 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.11 CCOC(C)N1C=CC=N1 HR153261 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.16 CCCCC1CCC(=O)O1 HR131845 [0,1,0,0,0,0|0,0,3]=4 53 B10R1.16 CCCCN1C=C(Br)C=N1 HR118525 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.16 CCCC[N+]1=CN(C)C=C1 HR107051 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.16 CCCC[N+]1=CN(C)C=C1 HR110613 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.16 CCCC[N+]1=CN(C)C=C1 HR122131 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.16 CCCC[N+]1=CN(C)C=C1 HR122399 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.16 CCCC[N+]1=CN(C)C=C1 HR122929 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.16 CCCC[N+]1=CN(C)C=C1 HR123002 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.16 CCCC[N+]1=CN(C)C=C1 HR138752 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.16 CCCC[N+]1=CN(C)C=C1 HR141475 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.16 CCCCn1cc[n+](C)c1 HR104762 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.16 CCCCn1cc[n+](C)c1 HR113482 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.16 CCCCn1cc[n+](C)c1 HR116622 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.16 CCCCn1cc[n+](C)c1 HR141426 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.16 CSSCc1ccc(C)o1 HR121074 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.16 NCCCC1=CN=C(N)N1 HR119174 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.21 CCCCCC1=CC=CO1 HR126128 [0,1,0,0,0,0|0,0,0]=1 69 B10R1.21 CCCCCC1=CC=CS1 HR130563 [0,1,0,0,0,0|0,1,0]=2 70 B10R1.21 CCCCCC1=CSC=C1 HR112097 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.21 CCCCCN1C=CN=C1 HR34005 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.27 COC(=O)CC1=CC=CS1 HR114379 [0,1,0,0,0,0|1,1,1]=4 73 B10R1.29 CCCCC1=C(Br)SC=C1 HR116115 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.66 CC(=O)OCC1=CC=CO1 HR128138 [0,1,0,0,0,0|1,0,1]=3 75 B10R1.66 CC(=S)OCC1=CC=CO1 HR138137 [0,1,0,0,0,0|1,0,1]=3 76 B10R1.66 CC(C)SCC1=CC=CO1 HR129515 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.66 O=C(O)CCC1=CC=CN1 HR147312 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.66 O=C(O)CCC1=CC=CO1 HR138114 [0,1,0,0,0,0|1,0,1]=3 79 B10R1.66 O=C(O)CCC1=CC=CS1 HR133338 [0,1,0,0,0,0|1,1,1]=4 80 B8R0.1 C\C=C\C(=O)CCCC HR108746 [0,0,1,0,0,0|0,0,2]=3 81 B8R0.4 CCCCC\C=C\C=O HR133342 [0,0,1,0,0,0|0,0,2]=3 82 B8R0.4 CCC\C=C\C=C\C=O HR129261 [0,0,1,0,0,0|0,0,2]=3 83 B8R0.4 CCC\C=C\C=C\C=O HR144535 [0,0,1,0,0,0|0,0,2]=3 84 B8R0.4 CCC\C=C\CCCC HR142398 [0,0,1,0,0,0|1,0,2]=4 85 B10R2.7 C1=C2CCCCC2=CN1 HR105160 [0,0,0,1,0,0|2,0,0]=3 86 B10R2.7 C1=CC2=C(CCNC2)O1 HR32649 [0,0,0,1,0,0|1,0,0]=2 87 B10R2.7 C1=CC2=C(CCNC2)S1 HR133289 [0,0,0,1,0,0|1,1,0]=3 88 B10R2.7 C1=CC2=C(CCNC2)S1 HR146569 [0,0,0,1,0,0|1,1,0]=3 89 B10R2.7 C1=CC2=C(CNCC2)O1 HR32648 [0,0,0,1,0,0|1,0,0]=2 90 B10R2.7 C1=CC2=C(CNCC2)S1 HR106224 [0,0,0,1,0,0|1,1,0]=3 91 B10R2.7 C1=CC2=C(CNCC2)S1 HR146494 [0,0,0,1,0,0|1,1,0]=3 92 B10R2.7 C1=CN2CCNCC2=N1 HR107393 [0,0,0,1,0,0|3,0,0]=4 93 B10R2.7 C1=NC2=C(CNCC2)N1 HR32650 [0,0,0,1,0,0|3,0,0]=4 94 B10R2.7 C1=NC2=C(CNCC2)S1 HR147404 [0,0,0,1,0,0|2,1,0]=4 95 B10R2.7 C1=NC2=C(CNCC2)S1 HR32688 [0,0,0,1,0,0|2,1,0]=4 96 B10R2.7 C1=NC=C2CNCCN12 HR148273 [0,0,0,1,0,0|3,0,0]=4 97 B10R2.7 C1=NN2CCCNC2=C1 HR121133 [0,0,0,1,0,0|3,0,0]=4 98 B10R2.7 C1=NNC2=C1CCNC2 HR149336 [0,0,0,1,0,0|3,0,0]=4 99 B10R2.7 C1=NNC2=C1CNCC2 HR146487 [0,0,0,1,0,0|3,0,0]=4 100 B10R2.7 C1=NNC2=C1CNCC2 HR32636 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.17 BrCCCC1=CC=CC=C1 HR106413 [0,0,0,0,0,1|2,0,0]=3 102 B10R1.17 BrCCOC1=CC=CC=C1 HR153436 [0,0,0,0,0,1|3,0,0]=4 103 B10R1.17 BrCCOC1=CC=CC=C1 HR3152 [0,0,0,0,0,1|3,0,0]=4 104 B10R1.17 CCCCC1=NC=CC=C1 HR130041 [0,0,0,0,0,1|1,0,0]=2 105 B10R1.17 CCCCC1=NC=CN=C1 HR117547 [0,0,0,0,0,1|1,0,0]=2 106 B10R1.17 CCCC[N+]1=CC=CC=C1 HR129252 [0,0,0,0,0,1|2,0,0]=3 107 B10R1.17 CCCC[N+]1=CC=CC=C1 HR133271 [0,0,0,0,0,1|2,0,0]=3 108 B10R1.17 CCCC[n+]1ccccc1 HR102811 [0,0,0,0,0,1|2,0,0]=3 109 B10R1.17 CCCC[n+]1ccccc1 HR113588 [0,0,0,0,0,1|2,0,0]=3 110 B10R1.17 CCCNC1=CC=CC=C1 HR129739 [0,0,0,0,0,1|2,0,0]=3 111 B10R1.17 CCCOC1=CC=CC=C1 HR112246 [0,0,0,0,0,1|2,0,0]=3 112 B10R1.17 CCNCC1=CC=CC=C1 HR126061 [0,0,0,0,0,1|2,0,0]=3 113 B10R1.17 CCNCC1=CC=CN=C1 HR144925 [0,0,0,0,0,1|2,0,0]=3 114 B10R1.17 CCNCC1=CC=NC=C1 HR123024 [0,0,0,0,0,1|2,0,0]=3 115 B10R1.17 CCOCC1=CC=CC=C1 HR135944 [0,0,0,0,0,1|2,0,0]=3 116 B10R1.17 CNCCC1=CC=NC=C1 HR145120 [0,0,0,0,0,1|2,0,0]=3 117 B10R1.17 CNCCc1ccccc1 HR117849 [0,0,0,0,0,1|2,0,0]=3 118 B10R1.17 CNCCc1ccccn1 HR108850 [0,0,0,0,0,1|2,0,0]=3 119 B10R1.17 CNCCc1ccccn1 HR138471 [0,0,0,0,0,1|2,0,0]=3 120 B10R1.17 CNCCc1ccccn1 HR138733 [0,0,0,0,0,1|2,0,0]=3 121 B10R1.17 COCCC1=CC=CC=C1 HR133177 [0,0,0,0,0,1|2,0,0]=3 122 B10R1.17 CSSCC1=CC=CC=C1 HR127315 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.17 ClCCCC1=CC=CC=C1 HR126996 [0,0,0,0,0,1|2,0,0]=3 124 B10R1.17 ClCCOC1=CC=CC=C1 HR138715 [0,0,0,0,0,1|3,0,0]=4 125 B10R1.17 ClCCSC1=CC=CC=C1 HR140822 [0,0,0,0,0,1|3,0,0]=4 126 B10R1.17 Cl[Mg]CCC1=CC=CC=C1 HR118419 [0,0,0,0,0,1|3,0,0]=4 127 B10R1.17 N#CCCC1=CC=CC=C1 HR100817 [0,0,0,0,0,1|2,0,1]=4 128 B10R1.17 N#CCCC1=CC=NC=C1 HR131271 [0,0,0,0,0,1|2,0,1]=4 129 B10R1.17 NCCCC1=CC=CC=C1 HR143725 [0,0,0,0,0,1|2,0,0]=3 130 B10R1.17 NCCCC1=NC=CC=C1 HR110635 [0,0,0,0,0,1|2,0,0]=3 131 B10R1.17 NCCNC1=CC=CC=C1 HR124669 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.17 NCCOC1=CC=CC=C1 HR138452 [0,0,0,0,0,1|3,0,0]=4 133 B10R1.17 NNCCC1=CC=CC=C1 HR100277 [0,0,0,0,0,1|3,0,0]=4 134 B10R1.17 O=CCCc1ccccc1 ECCQ01303 [0,0,0,0,0,1|2,0,1]=4 135 B10R1.17 OCCCC1=CC=CC=C1 HR132460 [0,0,0,0,0,1|2,0,0]=3 136 B10R1.17 OCCCC1=CC=NC=C1 HR135105 [0,0,0,0,0,1|2,0,0]=3 137 B10R1.17 OCCCc1ccccn1 HR136000 [0,0,0,0,0,1|2,0,0]=3 138 B10R1.17 OCCNC1=CC=CC=C1 HR138206 [0,0,0,0,0,1|3,0,0]=4 139 B10R1.17 OCCOC1=CC=CC=C1 HR135852 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.17 OCCSC1=CC=CC=C1 HR133868 [0,0,0,0,0,1|3,0,0]=4 141 B10R1.17 OCOCC1=CC=CC=C1 HR100600 [0,0,0,0,0,1|3,0,0]=4 142 B7R0.1 C=CCOCCCC HR129962 [1,0,1,0,0,0|0,0,1]=3 143 B7R0.1 C=COCCCCO HR134521 [1,0,1,0,0,0|1,0,1]=4 144 B7R0.1 CCCC\C=C\C=O HR129000 [1,0,1,0,0,0|0,0,1]=3 145 B7R0.1 CC\C=C\C=C\C=O HR130022 [1,0,1,0,0,0|0,0,2]=4 146 B7R0.1 CC\C=C\CCCC HR100327 [1,0,1,0,0,0|0,0,2]=4 147 B7R0.3 C=CC(=O)OCCC HR144889 [1,0,1,0,0,0|1,0,1]=4 148 B7R1.1 BrCC1=CC=CS1 HR107794 [2,0,0,0,0,0|1,1,0]=4 149 B7R1.1 BrCC1=CC=NO1 HR111380 [2,0,0,0,0,0|2,0,0]=4 150 B7R1.1 CCC1=CC=CO1 HR125873 [2,0,0,0,0,0|0,0,0]=2 151 B7R1.1 CCC1=CC=CS1 HR111385 [2,0,0,0,0,0|0,1,0]=3 152 B7R1.1 CCC1=CSC=C1 HR124094 [2,0,0,0,0,0|2,0,0]=4 153 B7R1.1 CCC1=NC=CN1 HR15972 [2,0,0,0,0,0|2,0,0]=4 154 B7R1.1 CCC1=NC=CS1 HR130841 [2,0,0,0,0,0|1,1,0]=4 155 B7R1.1 CCN1C=CC=C1 HR125020 [2,0,0,0,0,0|2,0,0]=4 156 B7R1.1 CCN1C=CC=N1 HR102255 [2,0,0,0,0,0|2,0,0]=4 157 B7R1.1 CNC1=CN=CO1 HR119721 [2,0,0,0,0,0|2,0,0]=4 158 B7R1.1 COC1=CC=CS1 HR128854 [2,0,0,0,0,0|1,1,0]=4 159 B7R1.1 CSC1=CC=CS1 HR119424 [2,0,0,0,0,0|1,1,0]=4 160 B7R1.1 ClCC1=CC=CS1 HR130983 [2,0,0,0,0,0|1,1,0]=4 161 B7R1.1 ClCC1=CC=NO1 HR106390 [2,0,0,0,0,0|2,0,0]=4 162 B7R1.1 ClCC1=CN=CO1 HR116607 [2,0,0,0,0,0|2,0,0]=4 163 B7R1.1 ClCC1=NC=CO1 HR106973 [2,0,0,0,0,0|2,0,0]=4 164 B7R1.1 N#CC1=CC=CO1 HR105593 [2,0,0,0,0,0|1,0,1]=4 165 B7R1.1 NCC1=CC=CN1 HR148675 [2,0,0,0,0,0|2,0,0]=4 166 B7R1.1 NCC1=CC=CS1 HR128270 [2,0,0,0,0,0|1,1,0]=4 167 B7R1.1 NCC1=CC=NO1 HR104828 [2,0,0,0,0,0|2,0,0]=4 168 B7R1.1 NCC1=CN=CO1 HR146908 [2,0,0,0,0,0|2,0,0]=4 169 B7R1.1 NCC1=NC=CO1 HR121937 [2,0,0,0,0,0|2,0,0]=4 170 B7R1.1 NCc1ccno1 HR111646 [2,0,0,0,0,0|2,0,0]=4 171 B7R1.1 O=CC1=CC=CO1 HR147284 [2,0,0,0,0,0|1,0,1]=4 172 B7R1.1 OCC1=CC=CO1 HR147620 [2,0,0,0,0,0|1,0,0]=3 173 B7R1.1 OCC1=CC=CS1 HR136423 [2,0,0,0,0,0|1,1,0]=4 174 B7R1.1 OCC1=CC=NO1 HR105454 [2,0,0,0,0,0|2,0,0]=4 175 B7R1.1 OCC1=CN=CO1 HR120976 [2,0,0,0,0,0|2,0,0]=4 176 B7R1.1 OCC1=NC=CO1 HR105529 [2,0,0,0,0,0|2,0,0]=4 177 B7R1.1 SCC1=CC=CS1 HR139099 [2,0,0,0,0,0|1,1,0]=4 178 B9R0.2 CCCCC\C=C\C(C)=O HR136203 [0,1,1,0,0,0|0,0,2]=4 179 B9R0.45 CCCCCC\C=C\C=O HR102101 [0,1,1,0,0,0|0,0,2]=4 180 B9R0.45 CCCCCC\C=C\C=O HR125439 [0,1,1,0,0,0|0,0,2]=4 181 B9R0.45 CCCCCC\C=C\CO HR110285 [0,1,1,0,0,0|0,0,2]=4 182 B9R0.45 CCCCC\C=C\CC=O HR101775 [0,1,1,0,0,0|0,0,2]=4 183 B9R0.45 CCCC\C=C\C=C\C=O HR129759 [0,1,1,0,0,0|0,0,1]=3 184 B9R0.46 C=CC(=O)OCCCCO HR100523 [0,1,1,0,0,0|1,0,1]=4 185 B9R0.46 C=CC(=O)OCCOCC HR128339 [0,1,1,0,0,0|1,0,1]=4 186 B9R1.7 CCCC1=CC(N)=NN1 HR102903 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.7 CCCC1=CSC(N)=N1 HR120059 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.7 CCCN1C=C(Br)C=N1 HR156684 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.7 COCC1=CC=C(Br)S1 HR153353 [1,1,0,0,0,0|1,1,0]=4 190 B9R1.7 NCCC1=CC=C(Br)S1 HR104636 [1,1,0,0,0,0|1,1,0]=4 191 B9R1.7 NCCc1ccc(Cl)s1 HR120576 [1,1,0,0,0,0|1,1,0]=4 192 B9R1.11 CCC(=O)C1=CC=CN1 HR132813 [1,1,0,0,0,0|1,0,1]=4 193 B9R1.11 CCC(=O)C1=CC=CS1 HR133080 [1,1,0,0,0,0|0,1,1]=4 194 B9R1.11 COC(=O)C1=CC=CO1 HR131617 [1,1,0,0,0,0|1,0,1]=4 195 B9R1.11 O=C(CBr)C1=CC=CO1 HR107121 [1,1,0,0,0,0|1,0,1]=4 196 B9R1.13 CC(C)CC1=NC=CS1 HR134446 [1,1,0,0,0,0|1,1,0]=4 197 B9R1.13 CC(C)CN1C=CC=N1 HR153288 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.13 CC(N)CC1=CC=CS1 HR106138 [1,1,0,0,0,0|0,1,0]=3 199 B9R1.13 CC(N)CC1=CC=NN1 HR108621 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.13 O=C(O)CC1=CC=CO1 HR17310 [1,1,0,0,0,0|1,0,1]=4 201 B9R1.33 CCOC1=C(C)N=CO1 HR8651 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.1 CCCCC1=CC=C(Br)C=C1 HR123909 [0,1,0,0,0,1|1,0,0]=3 203 B11R1.1 CCCCC1=CC=C(I)C=C1 HR129489 [0,1,0,0,0,1|1,0,0]=3 204 B11R1.1 CCCCC1=CC=C(N)C=C1 HR124226 [0,1,0,0,0,1|1,0,0]=3 205 B11R1.1 CCCCC1=CC=C(O)C=C1 HR123850 [0,1,0,0,0,1|1,0,0]=3 206 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 HR108110 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.1 CCCC[n+]1ccc(C)cc1 HR142536 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.1 CCCC[n+]1ccc(C)cc1 HR142930 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.1 CCCCc1cnc(Cl)nc1 HR113725 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.1 CCCOC1=CC=C(Br)C=C1 HR153427 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.1 CCCOC1=CC=C(N)C=C1 HR144025 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.1 CCCOC1=CC=C(N)N=N1 HR120965 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.1 CCCOC1=CC=C(O)C=C1 HR130673 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.1 CCCOC1=NC=C(Cl)C=C1 HR152728 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.1 CCNCC1=CC=C(Cl)C=C1 HR116589 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.1 CCOCC1=CC=C(Br)C=C1 HR154827 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.1 CNCCC1=CC=C(O)C=C1 HR120214 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.1 CNCCC1=CC=C(O)C=C1 HR15214 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.1 COCCC1=CC=C(O)C=C1 HR136030 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.1 OCCCC1=CC=C(Br)C=C1 HR3984 [0,1,0,0,0,1|2,0,0]=4 221 B11R1.1 OCCCC1=CC=C(O)C=C1 HR117766 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.1 OCCCc1ccc(Cl)cc1 HR125666 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.16 CCCC(=O)C1=CC=CN=C1 HR33915 [0,1,0,0,0,1|1,0,1]=4 224 B11R1.16 CCCC(C)C1=CC=CC=C1 HR141702 [0,1,0,0,0,1|1,0,0]=3 225 B11R1.16 NC(CCO)C1=CC=CC=C1 HR118366 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.16 NC(CCO)C1=CC=CC=C1 HR133247 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.16 NC(CCO)C1=CC=CC=C1 HR139778 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.16 NCCC(O)C1=CC=CC=C1 HR119965 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.16 OC(CCCl)C1=CC=CC=C1 HR119377 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.16 OC(CCCl)C1=CC=CC=C1 HR144241 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.16 OC(CCCl)C1=CC=CC=C1 HR5738 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.16 OCCC(O)C1=CC=NC=C1 MBCQ02905 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.17 CCCCC1=NC=NC=C1Br HR107585 [0,1,0,0,0,1|1,0,0]=3 234 B11R1.17 CCCOC1=C(O)C=CC=C1 HR13203 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.17 OCCCC1=C(Br)C=CC=C1 HR116391 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 HR140803 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.24 CCCC[n+]1cccc(C)c1 HR142446 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.24 CCCC[n+]1cccc(C)c1 HR143032 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.24 CCCOC1=CC=CC(Br)=C1 HR153522 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.24 CCNCC1=CC(F)=CC=C1 HR114070 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.24 CCOCC1=CN=CC(Br)=C1 HR152760 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.28 BrCCCCC1=CC=CC=C1 HR127944 [0,1,0,0,0,1|1,0,0]=3 243 B11R1.28 BrCCCOC1=CC=CC=C1 HR131909 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.28 BrCCOCC1=CC=CC=C1 HR128662 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.28 CCCCCC1=CC=CC=C1 HR16788 [0,1,0,0,0,1|1,0,0]=3 246 B11R1.28 CCCCCC1=NC=CC=C1 HR126861 [0,1,0,0,0,1|1,0,0]=3 247 B11R1.28 CCCCCc1ccccc1 HR125033 [0,1,0,0,0,1|1,0,0]=3 248 B11R1.28 CCCCCc1ccccc1 HR144114 [0,1,0,0,0,1|1,0,0]=3 249 B11R1.28 CCCCOC1=CC=CC=C1 HR126122 [0,1,0,0,0,1|1,0,0]=3 250 B11R1.28 CCCNCC1=CC=CC=C1 HR116670 [0,1,0,0,0,1|1,0,0]=3 251 B11R1.28 CCOCCC1=CC=CC=C1 HR133449 [0,1,0,0,0,1|1,0,0]=3 252 B11R1.28 CNCCCC1=CC=CC=C1 HR143705 [0,1,0,0,0,1|1,0,0]=3 253 B11R1.28 CNCCCC1=NC=CC=C1 HR108234 [0,1,0,0,0,1|1,0,0]=3 254 B11R1.28 ClCCCCc1ccncc1 HR111365 [0,1,0,0,0,1|1,0,0]=3 255 B11R1.28 ClCCNCC1=CC=CC=C1 HR104191 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.28 NCCCCC1=CC=CC=C1 HR135987 [0,1,0,0,0,1|1,0,0]=3 257 B11R1.28 NCCNCC1=CC=CC=C1 HR133429 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.28 NCCOCC1=CC=CC=C1 HR104976 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.28 OCCCCC1=CC=CC=C1 HR124038 [0,1,0,0,0,1|1,0,0]=3 260 B11R1.28 OCCCCC1=CC=NC=C1 HR124072 [0,1,0,0,0,1|1,0,0]=3 261 B11R1.28 OCCCCC1=NC=CC=C1 HR106714 [0,1,0,0,0,1|1,0,0]=3 262 B11R1.28 OCCCOC1=CC=CC=C1 HR130374 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.28 OCCNCC1=CC=CC=C1 EDCQ03601 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.28 OCCOCC1=CC=CC=C1 HR1939 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.28 OCCSCC1=CC=CC=C1 HR139277 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.40 CCC(=O)CC1=CC=CC=C1 HR130193 [0,1,0,0,0,1|1,0,1]=4 267 B11R1.40 CCC(C)CC1=CC=CC=C1 HR111099 [0,1,0,0,0,1|1,0,0]=3 268 B11R1.40 NC(CO)CC1=CC=CC=C1 HR147611 [0,1,0,0,0,1|2,0,0]=4 269 B11R1.40 NC(CO)CC1=CC=CC=C1 R2CQ01701 [0,1,0,0,0,1|2,0,0]=4 270 B11R1.40 NC(CO)Cc1ccccc1 HR123399 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.40 NCC(N)CC1=CC=CC=C1 HR145113 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.40 NCC(O)CC1=CC=CC=C1 HR139580 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.40 NCC(O)CC1=CC=CC=C1 HR146072 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.40 NCC(O)CC1=CC=CC=C1 HR146073 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.91 CC(=O)CCC1=CC=CC=C1 HR131653 [0,1,0,0,0,1|1,0,1]=4 276 B11R1.91 CC(C)NCC1=CC=CC=C1 HR135682 [0,1,0,0,0,1|2,0,0]=4 277 B11R1.91 CC(N)CCC1=CC=CC=C1 HR100540 [0,1,0,0,0,1|1,0,0]=3 278 B11R1.91 CC(N)CCC1=CC=CC=C1 HR129379 [0,1,0,0,0,1|1,0,0]=3 279 B11R1.91 CC(O)CCC1=CC=CC=C1 HR142083 [0,1,0,0,0,1|1,0,0]=3 280 B11R1.91 CC(O)COC1=CC=CC=C1 HR135584 [0,1,0,0,0,1|2,0,0]=4 281 B11R1.15 CCCC(=O)C1=CC=C(Cl)S1 HR111818 [0,2,0,0,0,0|0,1,1]=4 282 B11R1.15 CCOC(=O)C1=CC=C(C)O1 HR108481 [0,2,0,0,0,0|1,0,1]=4 283 B11R1.29 CNCCC(O)C1=CC=CS1 HR104860 [0,2,0,0,0,0|0,1,0]=3 284 B11R1.29 CNCCC(O)C1=CC=CS1 HR143661 [0,2,0,0,0,0|0,1,0]=3 285 B11R1.29 CNCCC(O)c1cccs1 HR107768 [0,2,0,0,0,0|0,1,0]=3 286 B11R1.77 NC(CC(=O)O)C1=CC=CO1 HR122086 [0,2,0,0,0,0|1,0,1]=4 287 B11R1.27 CCCCCC1C=CC(=O)O1 HR118804 [0,2,0,0,0,0|0,0,1]=3 288 B11R1.214 CCCCC1=CC=C(C=O)S1 HR153370 [0,2,0,0,0,0|0,1,0]=3 289 B11R1.214 CCCCC1=CC=C(CO)S1 HR155976 [0,2,0,0,0,0|0,1,0]=3 290 B11R1.214 CCCCC1=NC(C=O)=CN1 HR134981 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.214 CCCCC1=NC(CO)=CN1 HR126494 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.230 CCCCC1=C(Br)SC(Br)=C1 HR115803 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.230 CCCCC1=C(C)SC(C)=C1 HR100399 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.230 CCCCC1OC(=O)NC1=O HR100981 [0,2,0,0,0,0|1,0,1]=4 295 B11R1.4 CCCCCCC1=CC=CS1 HR112963 [0,2,0,0,0,0|0,1,0]=3 296 B11R1.4 CCCCCCC1=CSC=C1 HR132471 [0,2,0,0,0,0|2,0,0]=4 297 B11R1.25 CCC(=O)OCC1=CC=CO1 HR125024 [0,2,0,0,0,0|0,0,1]=3 298 B11R1.25 CCC(=S)OCC1=CC=CO1 HR136091 [0,2,0,0,0,0|0,0,1]=3 299 B11R1.25 COC(=O)CCC1=CC=CN1 HR119634 [0,2,0,0,0,0|1,0,1]=4 300 B11R1.25 COC(=O)CCC1=CC=CS1 HR116533 [0,2,0,0,0,0|0,1,1]=4 301 B11R1.172 CC(=O)CSCc1ccco1 HR100822 [0,2,0,0,0,0|0,0,1]=3 302 B11R1.172 O=C(O)CCCC1=CC=CS1 HR34165 [0,2,0,0,0,0|0,1,1]=4 303 B11R1.35 NC(CC1=CC=CO1)C(=O)O HR128070 [0,2,0,0,0,0|1,0,1]=4 304 B11R1.465 CCCCN1C(=O)C=CC1=O HR116541 [0,2,0,0,0,0|2,0,0]=4 305 B9R1.2 CCC1=CC=CC(O)=C1 HR132582 [0,0,1,1,0,0|0,0,2]=4 306 B9R1.8 C=COC1CCCCC1 HR134783 [0,0,1,1,0,0|0,0,2]=4 307 B9R1.8 CCOC1=CCCCC1 HR107315 [0,0,1,1,0,0|0,0,2]=4 308 B9R1.8 O=CNC1=CCCCC1 HR106493 [0,0,1,1,0,0|2,0,0]=4 309 B9R2.2 C1=CC(C2CC2)=NN1 HR110540 [1,0,0,1,0,0|2,0,0]=4 310 B9R2.2 C1=CNC(C2CC2)=N1 HR104592 [1,0,0,1,0,0|2,0,0]=4 311 B11R2.1 CC1CCC2=NC=CN=C21 HR126840 [0,0,0,1,0,1|1,0,0]=3 312 B11R2.1 ClC1CCC2=CC=CC=C21 HR121717 [0,0,0,1,0,1|2,0,0]=4 313 B11R2.1 NC1CCC2=CC=CC=C21 HR129567 [0,0,0,1,0,1|2,0,0]=4 314 B11R2.1 NC1CCC2=CC=CC=C21 HR130687 [0,0,0,1,0,1|2,0,0]=4 315 B11R2.1 NC1CCC2=CC=CC=C21 HR142302 [0,0,0,1,0,1|2,0,0]=4 316 B11R2.1 NC1CCC2=CC=CN=C21 HR116980 [0,0,0,1,0,1|2,0,0]=4 317 B11R2.1 NC1CCC2=CC=CN=C21 HR117613 [0,0,0,1,0,1|2,0,0]=4 318 B11R2.1 NC1CCC2=NC=CC=C21 HR118244 [0,0,0,1,0,1|2,0,0]=4 319 B11R2.1 NC1CCc2ccccc21 HR109197 [0,0,0,1,0,1|2,0,0]=4 320 B11R2.1 NC1CCc2ccccc21 HR119533 [0,0,0,1,0,1|2,0,0]=4 321 B11R2.1 NC1CCc2ccccc21 HR132129 [0,0,0,1,0,1|2,0,0]=4 322 B11R2.1 OC1CCC2=CC=CC=C21 HR140159 [0,0,0,1,0,1|2,0,0]=4 323 B11R2.1 OC1CCC2=CC=CN=C21 HR117300 [0,0,0,1,0,1|2,0,0]=4 324 B11R2.1 OC1CCC2=CC=CN=C21 HR117929 [0,0,0,1,0,1|2,0,0]=4 325 B11R2.4 NC1CC1C2=CC=CC=C2 HR144421 [0,0,0,1,0,1|2,0,0]=4 326 B11R2.20 C1=CC2=C(C=N1)CCCC2 HR118074 [0,0,0,1,0,1|1,0,0]=3 327 B11R2.20 C1=CC2=C(CCCC2)N=C1 HR5891 [0,0,0,1,0,1|1,0,0]=3 328 B11R2.20 C1=CC2=C(CCNC2)N=C1 HR103858 [0,0,0,1,0,1|2,0,0]=4 329 B11R2.20 C1=CC2=C(CNCC2)N=C1 HR109863 [0,0,0,1,0,1|2,0,0]=4 330 B11R2.20 C1=CC=C2CCCCC2=C1 HR132521 [0,0,0,1,0,1|1,0,0]=3 331 B11R2.20 C1=CC=C2CNCCC2=C1 HR138541 [0,0,0,1,0,1|2,0,0]=4 332 B11R2.20 C1=CC=C2CNCCC2=C1 HR141386 [0,0,0,1,0,1|2,0,0]=4 333 B11R2.20 C1=CC=C2COCCC2=C1 HR124839 [0,0,0,1,0,1|2,0,0]=4 334 B11R2.20 C1=CC=C2NCCCC2=C1 TIJL03001 [0,0,0,1,0,1|2,0,0]=4 335 B11R2.20 C1=NC2=C(CCCC2)N=C1 HR125432 [0,0,0,1,0,1|1,0,0]=3 336 B11R2.20 C1=NC=C2CCNCC2=C1 HR118034 [0,0,0,1,0,1|2,0,0]=4 337 B11R2.20 C1=NC=C2CNCCC2=C1 HR117428 [0,0,0,1,0,1|2,0,0]=4 338 B11R2.20 C1=NC=C2NCCCC2=C1 HR110893 [0,0,0,1,0,1|2,0,0]=4 339 B11R2.20 C1=NC=NC2=C1CCNC2 HR33221 [0,0,0,1,0,1|2,0,0]=4 340 B11R2.20 C1=NC=NC2=C1CNCC2 HR102276 [0,0,0,1,0,1|2,0,0]=4 341 B11R2.20 C1=NC=NC2=C1CNCC2 HR31769 [0,0,0,1,0,1|2,0,0]=4 342 B11R2.238 C1=CC=C(CC2CN2)C=C1 HR113274 [0,0,0,1,0,1|2,0,0]=4 343 B11R2.238 C1=CC=C(SC2CC2)C=C1 HR10736 [0,0,0,1,0,1|2,0,0]=4 344 B11R2.239 C1=CC(C2CNC2)=CC=N1 HR121871 [0,0,0,1,0,1|2,0,0]=4 345 B11R2.239 C1=CC=C(C2COC2)C=C1 HR112494 [0,0,0,1,0,1|2,0,0]=4 346 B11R2.239 c1ccc(C2CNC2)nc1 HR102331 [0,0,0,1,0,1|2,0,0]=4 347 B11R2.239 c1cncc(C2CNC2)c1 HR102014 [0,0,0,1,0,1|2,0,0]=4 348 B11R2.2 C1=CC(C2CCCN2)=CO1 HR111602 [0,1,0,1,0,0|2,0,0]=4 349 B11R2.2 C1=CC(C2CCCN2)=CS1 HR111921 [0,1,0,1,0,0|2,0,0]=4 350 B11R2.2 C1=COC(C2CCCN2)=C1 HR111293 [0,1,0,1,0,0|0,0,0]=2 351 B11R2.2 C1=CSC(C2CCCN2)=C1 HR108382 [0,1,0,1,0,0|0,1,0]=3 352 B11R2.106 CC1NCCN2C=CC=C12 HR147168 [0,1,0,1,0,0|2,0,0]=4 353 B11R2.106 O=C1CCCC2=C1C=CN2 HR143850 [0,1,0,1,0,0|1,0,1]=4 354 B11R2.106 O=C1CCCC2=C1C=CS2 HR112551 [0,1,0,1,0,0|0,1,1]=4 355 B11R2.106 O=C1CCCC2=C1SC=C2 HR106654 [0,1,0,1,0,0|0,1,1]=4 356 B11R2.10 NC1=NC2=C(CCCC2)S1 HR31799 [0,1,0,1,0,0|1,1,0]=4 357 B11R2.10 NC1=NC2=C(CCCC2)S1 HR31800 [0,1,0,1,0,0|1,1,0]=4 358 B11R2.352 NC1=NNC(C2CCC2)=C1 HR110959 [0,1,0,1,0,0|2,0,0]=4 359 B11R2.36 NC1CCC2=NNC=C2C1 HR32402 [0,1,0,1,0,0|2,0,0]=4