0 B6R0.6 BrCCCCCBr 3909 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCCCC 13058 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 C#CCCCCO 13078 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 CC#CCCCO 13089 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 CCCC#CCO 13064 [0,0,0,0,0,0|1,1,2]=4 5 B6R0.6 CCCCCC=O 3077 [0,0,0,0,0,0|1,1,1]=3 6 B6R0.6 CCCCCCBr 3776 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.6 CCCCCCI 3945 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 CCCCNCC 10254 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.6 CCCCOCC 12525 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.6 CCCOCCCl 14348 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.6 CCC\C=C\CO 18917 [0,0,0,0,0,0|1,1,2]=4 12 B6R0.6 CCOCCC#N 24829 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.6 CCOCCCO 1937 [0,0,0,0,0,0|2,1,1]=4 14 B6R0.6 COCCCCCl 1935 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 COCCCCO 1938 [0,0,0,0,0,0|2,1,1]=4 16 B6R0.6 COCCOCCl 10093 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.6 ClCCCCCBr 15271 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 ICCCCCI 3853 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 N#CCCCCBr 26949 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 N#CCCCCCl 25473 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.6 O=CCCCCCl 27418 [0,0,0,0,0,0|2,1,1]=4 22 B6R0.6 OCCCCCBr 22989 [0,0,0,0,0,0|2,1,1]=4 23 B5R0.2 BrCCCCBr 3870 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 C#CCCCC 13057 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.2 C#CCCCCl 34956 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 C#CCCCO 2025 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.2 CCCC#CO 13063 [1,0,0,0,0,0|0,1,2]=4 28 B5R0.2 CCCCCI 3960 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.2 CCCNCC 10270 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.2 CCOCCBr 12476 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 CCOCCCl 1932 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.2 CNCCCN 26279 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 CNCCCO 30456 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.2 CNCCNC 31976 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 COCCC#N 24839 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 COCCC=O 24309 [1,0,0,0,0,0|1,1,1]=4 37 B5R0.2 COCCCBr 11240 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 COCCCCl 18632 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 COCCCN 16804 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.2 COCCCO 1936 [1,0,0,0,0,0|1,1,1]=4 41 B5R0.2 COCCOC 18652 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 ClCCCCBr 36136 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 ICCCCI 3842 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 N#CCCCBr 28726 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 N#CCCCCl 26537 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.2 NCCCCN 25424 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 OCCCCCl 17292 [1,0,0,0,0,0|1,1,1]=4 48 B5R0.2 OCCCCCl 23235 [1,0,0,0,0,0|1,1,1]=4 49 B7R0.1 BrCCCCCCBr 3894 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.1 C#CCCCCCC 13059 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.1 C#CCCCCCO 13080 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.1 C=CCCCCCBr 26398 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.1 C=CCCCCCCl 25249 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.1 CCCCC#CCO 13065 [0,1,0,0,0,0|1,1,1]=4 55 B7R0.1 CCCCCCCBr 3775 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.1 CCCCCCCI 3944 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.1 CCCC\C=C\CO 18918 [0,1,0,0,0,0|1,1,1]=4 58 B7R0.1 CCOCCCCCl 1933 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.1 ICCCCCCI 3846 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.1 N#CCCCCCBr 12505 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.1 NCCCCCCO 13750 [0,1,0,0,0,0|1,1,1]=4 62 B7R0.1 OCCCCCCCl 16921 [0,1,0,0,0,0|1,1,1]=4 63 B7R0.3 CCCCC(Br)CBr 3891 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.4 CC(C)CCCCBr 35107 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.4 CCCCCB(O)O 27260 [0,1,0,0,0,0|2,1,0]=4 66 B7R0.4 CCCCCC(=O)Cl 21359 [0,1,0,0,0,0|1,1,1]=4 67 B7R0.4 CCCCCC(C)O 3094 [0,1,0,0,0,0|1,1,1]=4 68 B7R0.4 CCCCC[C@@H](C)O 6739 [0,1,0,0,0,0|1,1,1]=4 69 B7R0.4 CCCCC[C@H](C)O 6736 [0,1,0,0,0,0|1,1,1]=4 70 B7R0.7 CCCC(N)CCC 12594 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.7 CCOC(=O)N=C=O 35995 [0,1,0,0,0,0|1,1,1]=4 72 B7R0.7 CCOC(=O)N=C=S 11182 [0,1,0,0,0,0|1,0,1]=3 73 B7R1.1 BrCC1CCCC1 3104 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.1 CCN1CCCC1 36488 [0,0,0,1,0,0|1,0,2]=4 75 B7R1.1 N#CC1CCCC1 28731 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.1 NNC1CCCC1 16307 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.1 O=CC1CCCC1 27475 [0,0,0,1,0,0|1,1,1]=4 78 B7R1.1 OCC1CCCC1 3097 [0,0,0,1,0,0|1,1,1]=4 79 B7R1.3 BrC1=CCCCC1 29716 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.3 BrC1CCCCN1 6734 [0,0,0,1,0,0|1,0,2]=4 81 B7R1.3 CC1CCCCN1 7704 [0,0,0,1,0,0|1,0,2]=4 82 B7R1.3 CC1CCCNC1 7705 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.3 CC1CCNCC1 7707 [0,0,0,1,0,0|1,0,2]=4 84 B7R1.3 CN1CCCCC1 7703 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.3 C[C@@H]1CCCCN1 14248 [0,0,0,1,0,0|1,0,2]=4 86 B7R1.3 C[C@H]1CCCCN1 15597 [0,0,0,1,0,0|1,0,2]=4 87 B7R1.3 ClC1CCCCN1 6738 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.3 NC1CCCCN1 6729 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.3 NN1CCCCC1 23024 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.3 NN1CCCCC1 23261 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.3 O=C1CCCCN1 16892 [0,0,0,1,0,0|0,1,2]=4 92 B7R1.3 O=C1CCCCO1 20208 [0,0,0,1,0,0|1,1,1]=4 93 B7R1.3 OC1CCCCN1 6787 [0,0,0,1,0,0|0,1,2]=4 94 B7R1.4 CC1CCNC1=O 18075 [0,0,0,1,0,0|0,1,2]=4 95 B4R0.2 CCCCBr 3752 [2,0,0,0,0,0|1,0,0]=3 96 B4R0.2 CCCCI 3939 [2,0,0,0,0,0|1,0,0]=3 97 B4R0.2 CCN=C=O 18636 [2,0,0,0,0,0|0,1,0]=3 98 B4R0.2 CCNCC 14036 [2,0,0,0,0,0|1,0,1]=4 99 B4R0.2 CCNCC 17237 [2,0,0,0,0,0|1,0,1]=4 100 B4R0.2 CCOCCl 18683 [2,0,0,0,0,0|2,0,0]=4 101 B4R0.2 CC[B+]CC 26091 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.2 CNCCCl 35179 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.2 CNCCN 4020 [2,0,0,0,0,0|1,0,1]=4 104 B4R0.2 COCCBr 2138 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.2 COCCCl 1911 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.2 COCCO 35138 [2,0,0,0,0,0|1,1,0]=4 107 B4R0.2 CSCCCl 35891 [2,0,0,0,0,0|2,0,0]=4 108 B4R0.2 CSCCN 19131 [2,0,0,0,0,0|1,0,1]=4 109 B4R0.2 CSCCO 10846 [2,0,0,0,0,0|1,1,0]=4 110 B4R0.2 ICCCI 3858 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.2 NCCCBr 18801 [2,0,0,0,0,0|1,0,1]=4 112 B4R0.2 NCCCN 10839 [2,0,0,0,0,0|1,0,1]=4 113 B6R0.1 CCC(C)CCO 35939 [1,1,0,0,0,0|0,1,1]=4 114 B6R0.4 CC(Br)CCCBr 12546 [1,1,0,0,0,0|1,0,1]=4 115 B6R0.4 CCCCB(O)O 1765 [1,1,0,0,0,0|1,1,0]=4 116 B6R0.4 CCCCC(=O)Cl 21358 [1,1,0,0,0,0|0,1,1]=4 117 B6R0.4 CCCCC(=O)[O-] 27064 [1,1,0,0,0,0|0,1,1]=4 118 B6R0.4 CCCC[C@@H](C)N 6753 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.4 CCCC[C@@H](C)O 6730 [1,1,0,0,0,0|0,1,1]=4 120 B6R0.4 CCCC[C@H](C)N 6750 [1,1,0,0,0,0|1,0,1]=4 121 B6R0.4 CCCC[C@H](C)O 6732 [1,1,0,0,0,0|0,1,1]=4 122 B6R0.4 CNCCC(C)C 16229 [1,1,0,0,0,0|0,0,2]=4 123 B6R1.1 C1CCNCC1 21964 [1,0,0,1,0,0|0,0,2]=4 124 B6R1.1 C1CCNCC1 7701 [1,0,0,1,0,0|0,0,2]=4 125 B6R1.1 C1CCOCC1 9509 [1,0,0,1,0,0|0,1,1]=4 126 B6R1.1 C1CCSCC1 10562 [1,0,0,1,0,0|0,0,2]=4 127 B6R1.2 CC1=NCCC1 9412 [1,0,0,1,0,0|1,0,1]=4 128 B6R1.2 CC1CCCN1 11112 [1,0,0,1,0,0|1,0,1]=4 129 B6R1.2 CC1CCCN1 9410 [1,0,0,1,0,0|1,0,1]=4 130 B6R1.2 CC1CCCO1 10841 [1,0,0,1,0,0|0,1,1]=4 131 B6R1.2 CC1CCCS1 12832 [1,0,0,1,0,0|0,0,2]=4 132 B6R1.2 CC1CCNC1 19859 [1,0,0,1,0,0|0,0,2]=4 133 B6R1.2 CN1CCCC1 11143 [1,0,0,1,0,0|0,0,2]=4 134 B6R1.2 C[C@@H]1CCCN1 11117 [1,0,0,1,0,0|1,0,1]=4 135 B6R1.2 C[C@@H]1CCCN1 15593 [1,0,0,1,0,0|1,0,1]=4 136 B6R1.2 C[C@H]1CCCN1 11115 [1,0,0,1,0,0|1,0,1]=4 137 B6R1.2 C[C@H]1CCCN1 15594 [1,0,0,1,0,0|1,0,1]=4 138 B6R1.2 NC1=NCCC1 32058 [1,0,0,1,0,0|1,0,1]=4 139 B6R1.2 NN1CCCC1 4032 [1,0,0,1,0,0|1,0,1]=4 140 B6R1.2 NN1CCCC1 9801 [1,0,0,1,0,0|1,0,1]=4 141 B6R1.2 O=C1CCCC1 30304 [1,0,0,1,0,0|0,1,1]=4 142 B6R1.2 O=S1CCCC1 12544 [1,0,0,1,0,0|1,1,0]=4 143 B6R1.2 OC1CCCC1 20387 [1,0,0,1,0,0|0,1,1]=4 144 B6R1.2 S=C1CCCN1 20272 [1,0,0,1,0,0|0,0,2]=4 145 B6R1.3 N#CCC1CC1 28859 [1,0,0,1,0,0|1,0,1]=4 146 B6R1.3 OCCC1CC1 28819 [1,0,0,1,0,0|0,1,1]=4 147 B6R1.3 S=C=NC1CC1 22785 [1,0,0,1,0,0|0,0,0]=2 148 B6R1.6 BrCC1CCC1 23272 [1,0,0,1,0,0|1,0,1]=4 149 B6R1.6 N#CC1CCC1 25445 [1,0,0,1,0,0|1,0,1]=4 150 B6R1.6 NCC1CCC1 21304 [1,0,0,1,0,0|1,0,1]=4 151 B6R1.6 O=CC1CCC1 23840 [1,0,0,1,0,0|0,1,1]=4 152 B6R1.6 OCC1CCC1 23465 [1,0,0,1,0,0|0,1,1]=4 153 B8R1.5 CC1=NCCCN1C 14029 [0,1,0,1,0,0|1,0,1]=4