0 B8R0.11 CCCCC(CC)CBr HR122889 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.11 CCCCC(CC)CCl HR126592 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.11 CCCCC(CC)CO HR130189 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.11 CCCCC(CC)CS HR130372 [0,0,0,0,0,0|0,1,3]=4 4 B8R0.11 CCC\C=C(/C=O)CC HR103170 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.3 C=CC(=O)OCCC HR144889 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.3 CCCCC(=O)NN HR113250 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.3 CCCCC(O)CC HR100535 [1,0,0,0,0,0|0,0,3]=4 8 B7R0.3 CCCC\C(C)=N/O HR101112 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.3 CCCOC(=O)CC HR127273 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.3 COC(=O)CCCBr HR134912 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 COC(=O)CCCCl HR131361 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.3 COC(=O)CCCN HR105959 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 COC(=O)\C=C\CBr HR131230 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.3 COCCC(=O)OC HR130750 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.3 CO\C=C\C(=O)OC HR100409 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.3 CO\C=C\C(=O)OC HR123737 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.13 CCCCC(CC)C(=O)Cl HR127161 [0,1,0,0,0,0|0,0,2]=3 18 B9R0.13 CCCCC(CC)C(=O)O HR136822 [0,1,0,0,0,0|0,0,2]=3 19 B9R0.13 CCCCC(CC)C(=O)[O-] HR123660 [0,1,0,0,0,0|0,0,2]=3 20 B9R0.13 CCCCC(CC)C(=O)[O-] HR124197 [0,1,0,0,0,0|0,0,2]=3 21 B9R0.13 CCCCC(CC)C(=O)[O-] HR125577 [0,1,0,0,0,0|0,0,2]=3 22 B9R0.13 CCCCC(CC)C(=O)[O-] HR127819 [0,1,0,0,0,0|0,0,2]=3 23 B9R0.13 CCCCC(CC)C(=O)[O-] HR128285 [0,1,0,0,0,0|0,0,2]=3 24 B9R0.13 CCCCC(CC)C(=O)[O-] HR131557 [0,1,0,0,0,0|0,0,2]=3 25 B9R0.13 CCCCC(CC)C(=O)[O-] HR131824 [0,1,0,0,0,0|0,0,2]=3 26 B9R0.13 CCCCC(CO)C(=O)O HR145751 [0,1,0,0,0,0|1,0,2]=4 27 B9R1.1 CCC1=CC=C(C)C=C1 HR139087 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.1 CCC1=CN=C(C)C=C1 HR10482 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.15 CCC1=CN=CNC1=O HR108550 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.21 CCC1=CC=C(CC)S1 HR138839 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.21 CCN1C=C(C=O)C=N1 HR118609 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.89 O=CC1CCCCCC1 HR146293 [0,0,0,1,0,0|0,0,2]=3 33 B9R1.89 O=CN1CCCNCC1 HR112855 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.132 CC1=C(C=O)C=NN1C HR119293 [0,0,0,1,0,0|2,0,1]=4 35 B6R0.1 C=CC(=O)CCC HR100488 [2,0,0,0,0,0|0,0,2]=4 36 B6R0.1 CCC(=O)CC#N HR104780 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.1 CCC(=O)CSC HR123442 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.1 CCCC(=O)NN HR113429 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.1 CCCC(=O)SC HR136352 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.1 CCCC(=S)OC HR122832 [2,0,0,0,0,0|1,1,0]=4 41 B6R0.1 CCCC(Br)CC HR118696 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.1 CCOC(=O)C=O HR130872 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.1 CCOC(=O)CBr AMJB00601 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.1 CCOC(=O)CCl HR147617 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.1 CCOC(=O)CN HR134743 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.1 CCOC(=O)CO HR127384 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.1 CCOC(=O)CS HR136673 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.1 CCOC(=O)OC HR138173 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.1 CCSC(=O)CC HR138214 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.1 CNCC(=O)OC HR130436 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.1 COC(=O)CCBr HR133552 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.1 COC(=O)CCN HR135038 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.1 COC(=O)CCS HR133169 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.1 COCC(=O)OC HR147666 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.1 C\C=C\C(=O)CC HR108073 [2,0,0,0,0,0|0,0,1]=3 56 B6R0.4 C=C(C)CNCC HR128262 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.4 CC(=O)CCCBr HR147487 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.4 CC(=O)CCCCl HR100024 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.4 CC(=O)CCCO HR136959 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.4 CC(=O)NCCN HR128075 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.4 CC(=O)NCCO HR100613 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.4 CC(=O)OCCBr HR131354 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.4 CCCCC(=O)Cl HR147689 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.4 CCCCC(=O)[O-] HR143929 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.4 CCCCC(N)=O HR110039 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.4 CCCSC(C)=O HR137881 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.4 CO\C=C\C(C)=O HR138997 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.4 CSCCC(C)=O HR133952 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.6 CCCCNCC HR125662 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.6 CCCC[Mg]CC HR115887 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.6 CCCSSCC HR130845 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.6 CCC\C=C\C=O HR127670 [2,0,0,0,0,0|0,0,0]=2 73 B6R0.6 CCC\C=C\CO HR127397 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.6 CC\C=C\CCO HR100849 [2,0,0,0,0,0|1,0,0]=3 75 B6R0.6 CC\C=C\CCO HR130305 [2,0,0,0,0,0|1,0,0]=3 76 B6R0.6 C\C=C\C=C\C=O HR122495 [2,0,0,0,0,0|0,0,2]=4 77 B6R0.6 C\C=C\CCCC HR145495 [2,0,0,0,0,0|0,0,2]=4 78 B6R0.9 CCN(C=O)CC HR124940 [2,0,0,0,0,0|1,0,0]=3 79 B8R0.1 CCCC(=O)OCSC HR128277 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.1 CCCOC(=O)CCS HR117505 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.1 CCOC(=O)CCCBr HR133499 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.1 CCOC(=O)CCCN HR142861 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.1 CCOC(=O)CCC[Zn+] HR140860 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.1 CCOC(=O)NCCCl HR139857 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.1 CCOC(=O)\C=C\CBr HR131502 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.1 C\C=C\C(=O)CCCC HR108746 [1,1,0,0,0,0|0,0,2]=4 87 B8R0.3 C=C(CBr)C(=O)OCC HR109438 [1,1,0,0,0,0|2,0,0]=4 88 B8R0.3 C=C(CCl)C(=O)OCC HR112979 [1,1,0,0,0,0|2,0,0]=4 89 B8R0.3 C=C(CO)C(=O)OCC HR110396 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.3 CCCC(Br)C(=O)OC HR135374 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.3 CCCC(N)C(=O)OC HR141930 [1,1,0,0,0,0|1,0,1]=4 92 B8R0.3 CCOC(=O)C(=O)CBr NSJB02101 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.3 CCOC(=O)C(=O)CC HR105760 [1,1,0,0,0,0|1,0,0]=3 94 B8R0.3 CCOC(=O)C(C)C=O HR112338 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.3 C\C=C(\C)C(=O)OCC HR128479 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.6 CCCCCC(=O)CI HR120235 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.6 CCCCCC(=O)SC HR105293 [1,1,0,0,0,0|1,0,1]=4 98 B8R0.6 CCCCNC(=O)CCl HR147680 [1,1,0,0,0,0|1,0,1]=4 99 B8R0.6 CCCCOC(=O)CO HR135884 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.6 CCCCOC(=O)CS HR123589 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.6 CCC\C=C\C(=O)OC HR101945 [1,1,0,0,0,0|1,0,0]=3 102 B8R0.6 CCC\C=C\C(=O)OC HR138885 [1,1,0,0,0,0|1,0,0]=3 103 B8R0.6 COC(=O)CCCCBr HR132792 [1,1,0,0,0,0|1,0,1]=4 104 B8R0.6 COC(=O)CCCCCl HR117426 [1,1,0,0,0,0|1,0,1]=4 105 B8R0.6 COCCCC(=O)OC HR115734 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.8 C=C(C)C(=O)OCCC HR115069 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.8 CCCCC(=O)C(C)=O HR133012 [1,1,0,0,0,0|0,0,2]=4 108 B8R0.8 CCCCC(C)C(=O)O HR121647 [1,1,0,0,0,0|0,0,2]=4 109 B8R0.8 CCCOC(=O)C(C)O HR104314 [1,1,0,0,0,0|1,0,0]=3 110 B8R0.8 CCCOC(=O)C(C)O HR143626 [1,1,0,0,0,0|1,0,0]=3 111 B8R0.9 CCC(=O)CCC(C)=O HR121178 [1,1,0,0,0,0|0,0,2]=4 112 B8R0.9 COC(=O)CCC(C)O HR125584 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.19 CCC(=O)CC(=O)CC HR138277 [1,1,0,0,0,0|0,0,2]=4 114 B8R0.19 CCC(O)CC(=O)OC HR111480 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.16 CO\C(C=O)=C/N(C)C HR106210 [1,1,0,0,0,0|2,0,0]=4 116 B8R0.20 CCC([SiH3])=C(CC)CC HR139685 [1,1,0,0,0,0|1,0,1]=4 117 B8R0.22 CCCC(CC=O)SC HR125808 [1,1,0,0,0,0|1,0,1]=4 118 B10R0.84 CC(C)C\C=C(\C=O)C(C)C HR134526 [0,2,0,0,0,0|0,0,0]=2 119 B10R0.85 CCCCC(CC)C(=O)OC HR143546 [0,2,0,0,0,0|0,0,2]=4 120 B10R0.101 CCOC(=O)C(CC)C(C)=O HR128092 [0,2,0,0,0,0|1,0,1]=4 121 B10R0.16 CCCCN(C=O)CCCC HR131153 [0,2,0,0,0,0|1,0,1]=4 122 B8R1.1 CCC1=CCC(C)=C1 HR108113 [1,0,0,1,0,0|0,0,1]=3 123 B8R1.1 CCC1CCC(=O)O1 HR137195 [1,0,0,1,0,0|1,0,0]=3 124 B8R1.1 CCN1CCC(=O)C1 HR113880 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.1 O=C1CCC(CBr)N1 HR147112 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.1 O=C1CCC(CO)N1 HR107754 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.1 O=C1CCC(CO)N1 HR126441 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.1 O=C1CCC(CO)N1 HR130096 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.1 O=C1CCC(CO)O1 HR113766 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.1 O=C1CCC(CO)O1 HR145842 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.1 O=C1CCC(CO)O1 HR145872 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.2 COC1=CCCCC1 HR108356 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.2 O=CC1=CCCCC1 HR124654 [1,0,0,1,0,0|0,0,0]=2 134 B8R1.2 O=CC1=CCCOC1 HR106218 [1,0,0,1,0,0|1,0,0]=3 135 B8R1.2 O=CC1CCCCC1 HR3082 [1,0,0,1,0,0|0,0,2]=4 136 B8R1.2 O=CN1CCCCC1 HR135142 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.3 C=C1CCN(C)CC1 HR107962 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.3 CC1CCC(=O)CC1 HR123899 [1,0,0,1,0,0|0,0,1]=3 139 B8R1.3 CC1CNC(=O)CO1 HR148882 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.3 CN1CCC(=O)CC1 HR128468 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.3 NC1CCC(=O)CC1 HR108450 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.3 NC1CCC(=O)NC1 HR114241 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.3 O=C1CCC(O)CC1 HR132671 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.3 O=C1CCC(O)CN1 HR104378 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.5 CC1CCCCC1=O HR128184 [1,0,0,1,0,0|0,0,1]=3 146 B8R1.5 CC1CNCCC1=O HR102395 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.5 CC1CNCCC1=O HR144741 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.5 CC1COCCC1=O HR108661 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.5 CC1NCCNC1=O HR149053 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.5 CC1OCCNC1=O HR148881 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.5 NC1CCCNC1=O HR103141 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.5 NC1CCCNC1=O HR109690 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.5 NC1CCCNC1=O HR143772 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.5 O=C1CCCCC1=O HR133849 [1,0,0,1,0,0|1,0,1]=4 155 B8R1.5 O=C1CCCCC1Br HR121776 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.5 O=C1CCCCC1Cl HR133138 [1,0,0,1,0,0|1,0,1]=4 157 B8R1.5 O=C1CCCCC1F HR150360 [1,0,0,1,0,0|1,0,1]=4 158 B8R1.5 O=C1NCCCC1F HR149509 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.5 O=C1NCCCC1O HR147038 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.22 O=C1C=CCCCC1 HR146270 [1,0,0,1,0,0|0,0,1]=3 161 B8R1.22 O=C1CCCCCN1 HR129512 [1,0,0,1,0,0|1,0,0]=3 162 B8R1.22 O=C1CCCCCO1 HR107144 [1,0,0,1,0,0|1,0,0]=3 163 B8R1.22 O=C1CCCCCO1 HR120205 [1,0,0,1,0,0|1,0,0]=3 164 B8R1.22 O=C1CCCNCC1 HR107777 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.22 O=C1CCCNCC1 HR136701 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.22 O=C1CCNCCN1 HR101958 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.22 O=C1CCNCCN1 HR113359 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.38 COC(=O)C1CCC1 HR141345 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.40 NCC(=O)NC1CC1 HR145980 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.50 CC1CCC(=O)C1=O HR129446 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.50 CC1CCC(=O)N1C HR142184 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.11 CCN1CCCC1=O HR134739 [1,0,0,1,0,0|1,0,0]=3 173 B10R1.13 CC1CCC(C(=O)O)CC1 HR107029 [0,1,0,1,0,0|0,0,2]=4 174 B10R1.13 CC1CCC(C(=O)O)CC1 HR130857 [0,1,0,1,0,0|0,0,2]=4 175 B10R1.19 C=CN1CCCCCC1=O HR108721 [0,1,0,1,0,0|2,0,0]=4 176 B10R1.29 CCCCN1CCCC1=O HR130366 [0,1,0,1,0,0|1,0,1]=4 177 B10R1.35 CCN1C=C(C=O)C(C)=N1 HR107696 [0,1,0,1,0,0|1,0,1]=4 178 B10R1.61 CC1CCCNC1C(=O)O HR149731 [0,1,0,1,0,0|1,0,1]=4 179 B10R1.348 O=C(Cl)C1CCCCCC1 HR146283 [0,1,0,1,0,0|0,0,2]=4 180 B10R1.348 O=C(O)C1CCCCCC1 HR129293 [0,1,0,1,0,0|0,0,2]=4 181 B10R1.348 O=C(O)C1CCCCCN1 HR121409 [0,1,0,1,0,0|1,0,1]=4 182 B10R1.172 CCc1cccc(CC)c1 HR121574 [0,1,0,1,0,0|1,0,1]=4 183 B10R1.5 CCCC1=C(C=O)C=NN1 HR110824 [0,1,0,1,0,0|1,0,1]=4 184 B10R1.256 COC1=C(C)OC(C)C1=O HR125665 [0,1,0,1,0,0|2,0,0]=4 185 B10R1.258 CCN1N=CC(C=O)=C1C HR107377 [0,1,0,1,0,0|1,0,1]=4 186 B10R1.4 NCCN1CCCCC1=O HR112984 [0,1,0,1,0,0|1,0,1]=4 187 B10R1.16 CCCCC1CCC(=O)O1 HR131845 [0,1,0,1,0,0|0,0,2]=4 188 B10R1.96 CCCC1=CC=C(C=O)S1 HR153372 [0,1,0,1,0,0|0,0,2]=4 189 B10R1.3 CCC1=CN=C(CC)C=N1 HR128999 [0,1,0,1,0,0|1,0,1]=4 190 B10R2.62 O=C1CC2CCC1CC2 HR115155 [0,0,0,2,0,0|0,0,2]=4 191 B10R2.99 O=CC1CC2CCC1C2 HR147687 [0,0,0,2,0,0|0,0,2]=4