0 B8R1.22 N[C@@H]1CCCCNC1 22272 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.22 O=C1CCCCCC1 15555 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.22 O=C1CCCCCN1 32271 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.22 O=C1CCCCCO1 15924 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.22 O=C1CCCNCC1 17662 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.24 C1CNCCNC1 8556 [1,0,0,0,0,0|1,0,1]=3 6 B7R1.24 C1CNCCOC1 25220 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.5 CN1CCCCCC1=O 36383 [0,1,0,0,0,0|0,0,0]=1 8 B9R1.5 NC1CCCCNC1=O 20137 [0,1,0,0,0,0|0,0,0]=1 9 B9R1.5 N[C@@H]1CCCCNC1=O 30434 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.5 N[C@H]1CCCCNC1=O 14097 [0,1,0,0,0,0|0,0,0]=1 11 B9R1.48 O=C1CCCCC(=O)C1 20261 [0,1,0,0,0,0|1,0,1]=3 12 B9R1.49 CN1CCCC(=O)CC1 2442 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.49 CN1CCCC(=O)CC1 2443 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.49 CN1CCCC(N)CC1 35580 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.49 CN1CCCC(O)CC1 2444 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.89 O=CC1CCCCCC1 16219 [0,1,0,0,0,0|1,0,1]=3 17 B9R1.89 OCC1CCCCCC1 16220 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.1 BrCCCCCCBr 3894 [0,0,1,0,0,0|2,0,1]=4 19 B7R0.1 C#CCCCCCC 13059 [0,0,1,0,0,0|2,0,1]=4 20 B7R0.1 C#CCCCCCO 13080 [0,0,1,0,0,0|2,0,1]=4 21 B7R0.1 C=CCCCCC=C 36540 [0,0,1,0,0,0|2,0,1]=4 22 B7R0.1 C=CCCCCCBr 26398 [0,0,1,0,0,0|2,0,0]=3 23 B7R0.1 C=CCCCCCCl 25249 [0,0,1,0,0,0|2,0,0]=3 24 B7R0.1 CCCCCCCBr 3775 [0,0,1,0,0,0|2,0,1]=4 25 B7R0.1 CCCCCCCI 3944 [0,0,1,0,0,0|2,0,1]=4 26 B7R0.1 ICCCCCCI 3846 [0,0,1,0,0,0|2,0,1]=4 27 B7R0.1 N#CCCCCCBr 12505 [0,0,1,0,0,0|2,0,1]=4 28 B7R0.1 NCCCCCCO 13750 [0,0,1,0,0,0|0,0,2]=3 29 B7R0.1 O=CCCCCC=O 21301 [0,0,1,0,0,0|1,0,1]=3 30 B7R0.1 OCCCCCCCl 16921 [0,0,1,0,0,0|1,0,2]=4 31 B7R0.3 COC(=O)CCC#N 12831 [0,0,1,0,0,0|2,0,1]=4 32 B7R0.3 COC(=O)CCC=O 29717 [0,0,1,0,0,0|2,0,1]=4 33 B7R0.4 C#CCCCC(=O)O 35033 [0,0,1,0,0,0|1,0,2]=4 34 B7R0.4 CC(=O)CCCCCl 29051 [0,0,1,0,0,0|2,0,0]=3 35 B7R0.4 CCCCCB(O)O 27260 [0,0,1,0,0,0|2,0,1]=4 36 B7R0.4 CCCCCC(=O)Cl 21359 [0,0,1,0,0,0|1,0,0]=2 37 B7R0.4 CCCCCC(C)O 3094 [0,0,1,0,0,0|1,0,2]=4 38 B7R0.4 CCCCC[C@@H](C)O 6739 [0,0,1,0,0,0|1,0,2]=4 39 B7R0.4 CCCCC[C@H](C)O 6736 [0,0,1,0,0,0|1,0,2]=4 40 B7R0.4 CCC\C=C\C(C)=O 18920 [0,0,1,0,0,0|1,0,1]=3 41 B7R0.4 COCCOC(=O)Cl 12774 [0,0,1,0,0,0|3,0,0]=4 42 B7R0.4 NCCCCC(=O)O 18964 [0,0,1,0,0,0|2,0,0]=3 43 B7R0.4 NCCCCC(=O)O 31880 [0,0,1,0,0,0|2,0,0]=3 44 B7R0.4 O=C(Cl)CCCCBr 36169 [0,0,1,0,0,0|2,0,0]=3 45 B7R0.4 O=C(Cl)CCCCCl 10919 [0,0,1,0,0,0|2,0,0]=3 46 B7R0.4 O=C(O)CCCCBr 3843 [0,0,1,0,0,0|2,0,0]=3 47 B7R0.7 C=C(OCC)OCC 32224 [0,0,1,0,0,0|3,0,0]=4 48 B7R0.7 CC#CC(=O)OCC 45161 [0,0,1,0,0,0|1,0,2]=4 49 B7R0.7 CCCC(N)CCC 12594 [0,0,1,0,0,0|2,0,1]=4 50 B7R0.7 CCOC(=O)CCBr 25427 [0,0,1,0,0,0|2,0,0]=3 51 B7R0.7 CCOC(=O)CCN 10927 [0,0,1,0,0,0|2,0,0]=3 52 B7R0.7 CCOC(=O)CNC 10917 [0,0,1,0,0,0|2,0,0]=3 53 B7R0.7 CCOC(=O)CNN 2459 [0,0,1,0,0,0|3,0,0]=4 54 B7R0.7 O=C(CCCl)CCCl 2482 [0,0,1,0,0,0|3,0,0]=4 55 B7R0.7 [C-]#[N+]CC(=O)OCC 2345 [0,0,1,0,0,0|2,0,1]=4 56 B7R1.3 BrC1=CCCCC1 29716 [0,0,0,0,1,0|1,0,1]=3 57 B7R1.3 BrC1CCCCN1 6734 [0,0,0,0,1,0|1,0,1]=3 58 B7R1.3 BrC1CCCNC1 6733 [0,0,0,0,1,0|2,0,1]=4 59 B7R1.3 BrC1CCNCC1 9060 [0,0,0,0,1,0|2,0,1]=4 60 B7R1.3 BrC1CCOCC1 13108 [0,0,0,0,1,0|2,0,1]=4 61 B7R1.3 CC1CCCCN1 7704 [0,0,0,0,1,0|1,0,1]=3 62 B7R1.3 CC1CCCNC1 7705 [0,0,0,0,1,0|2,0,1]=4 63 B7R1.3 CC1CCNCC1 7707 [0,0,0,0,1,0|2,0,1]=4 64 B7R1.3 CC1CNCCN1 8560 [0,0,0,0,1,0|2,0,1]=4 65 B7R1.3 CC1COCCN1 14221 [0,0,0,0,1,0|2,0,1]=4 66 B7R1.3 CC1COCCN1 17245 [0,0,0,0,1,0|2,0,1]=4 67 B7R1.3 CN1CCCCC1 7703 [0,0,0,0,1,0|2,0,0]=3 68 B7R1.3 CN1CCNCC1 15033 [0,0,0,0,1,0|3,0,0]=4 69 B7R1.3 CN1CCNCC1 8561 [0,0,0,0,1,0|3,0,0]=4 70 B7R1.3 CN1CCOCC1 17627 [0,0,0,0,1,0|3,0,0]=4 71 B7R1.3 CN1CCOCC1 18300 [0,0,0,0,1,0|3,0,0]=4 72 B7R1.3 C[C@@H]1CCCCN1 14248 [0,0,0,0,1,0|1,0,1]=3 73 B7R1.3 C[C@@H]1CNCCN1 13111 [0,0,0,0,1,0|2,0,1]=4 74 B7R1.3 C[C@@H]1CNCCN1 15034 [0,0,0,0,1,0|2,0,1]=4 75 B7R1.3 C[C@@H]1COCCN1 11363 [0,0,0,0,1,0|2,0,1]=4 76 B7R1.3 C[C@@H]1COCCN1 17244 [0,0,0,0,1,0|2,0,1]=4 77 B7R1.3 C[C@H]1CCCCN1 15597 [0,0,0,0,1,0|1,0,1]=3 78 B7R1.3 C[C@H]1CNCCN1 15035 [0,0,0,0,1,0|2,0,1]=4 79 B7R1.3 C[C@H]1COCCN1 11364 [0,0,0,0,1,0|2,0,1]=4 80 B7R1.3 C[C@H]1COCCN1 17226 [0,0,0,0,1,0|2,0,1]=4 81 B7R1.3 ClC1CCCCN1 6738 [0,0,0,0,1,0|1,0,1]=3 82 B7R1.3 ClC1CCNCC1 30446 [0,0,0,0,1,0|2,0,1]=4 83 B7R1.3 ClC1CCNCC1 6744 [0,0,0,0,1,0|2,0,1]=4 84 B7R1.3 ClC1CCOCC1 36112 [0,0,0,0,1,0|2,0,1]=4 85 B7R1.3 FC1CCCNC1 24370 [0,0,0,0,1,0|2,0,1]=4 86 B7R1.3 FC1CCNCC1 44985 [0,0,0,0,1,0|2,0,1]=4 87 B7R1.3 F[C@@H]1CCCNC1 24371 [0,0,0,0,1,0|2,0,1]=4 88 B7R1.3 F[C@H]1CCCNC1 24372 [0,0,0,0,1,0|2,0,1]=4 89 B7R1.3 IC1CCOCC1 44921 [0,0,0,0,1,0|2,0,1]=4 90 B7R1.3 NC1CCCCN1 6729 [0,0,0,0,1,0|1,0,1]=3 91 B7R1.3 NC1CCCNC1 6731 [0,0,0,0,1,0|2,0,1]=4 92 B7R1.3 NC1CCCNC1 6755 [0,0,0,0,1,0|2,0,1]=4 93 B7R1.3 NC1CCCOC1 20424 [0,0,0,0,1,0|2,0,1]=4 94 B7R1.3 NC1CCNCC1 6727 [0,0,0,0,1,0|2,0,1]=4 95 B7R1.3 NC1CCNCC1 7722 [0,0,0,0,1,0|2,0,1]=4 96 B7R1.3 NC1CCOCC1 22240 [0,0,0,0,1,0|2,0,1]=4 97 B7R1.3 NC1CCOCC1 26069 [0,0,0,0,1,0|2,0,1]=4 98 B7R1.3 NC1CCOCC1 9558 [0,0,0,0,1,0|2,0,1]=4 99 B7R1.3 NC1CCOCC1 9675 [0,0,0,0,1,0|2,0,1]=4 100 B7R1.3 NC1CCSCC1 18748 [0,0,0,0,1,0|2,0,1]=4 101 B7R1.3 NN1CCCCC1 23024 [0,0,0,0,1,0|2,0,0]=3 102 B7R1.3 NN1CCCCC1 23261 [0,0,0,0,1,0|2,0,0]=3 103 B7R1.3 NN1CCOCC1 14486 [0,0,0,0,1,0|3,0,0]=4 104 B7R1.3 N[C@@H]1CCCNC1 3013 [0,0,0,0,1,0|2,0,1]=4 105 B7R1.3 N[C@@H]1CCCOC1 19625 [0,0,0,0,1,0|2,0,1]=4 106 B7R1.3 N[C@@H]1CCCOC1 22289 [0,0,0,0,1,0|2,0,1]=4 107 B7R1.3 N[C@H]1CCCNC1 11476 [0,0,0,0,1,0|2,0,1]=4 108 B7R1.3 N[C@H]1CCCOC1 19623 [0,0,0,0,1,0|2,0,1]=4 109 B7R1.3 N[C@H]1CCCOC1 22290 [0,0,0,0,1,0|2,0,1]=4 110 B7R1.3 O=C1CCCCN1 16892 [0,0,0,0,1,0|0,0,0]=1 111 B7R1.3 O=C1CCCCO1 20208 [0,0,0,0,1,0|1,0,0]=2 112 B7R1.3 O=C1CCCNC1 24362 [0,0,0,0,1,0|1,0,0]=2 113 B7R1.3 O=C1CCCNC1 26624 [0,0,0,0,1,0|1,0,0]=2 114 B7R1.3 O=C1CCCOC1 15125 [0,0,0,0,1,0|1,0,0]=2 115 B7R1.3 O=C1CCCOC1 19912 [0,0,0,0,1,0|1,0,0]=2 116 B7R1.3 O=C1CCNCC1 6789 [0,0,0,0,1,0|1,0,0]=2 117 B7R1.3 O=C1CCNCC1 7756 [0,0,0,0,1,0|1,0,0]=2 118 B7R1.3 O=C1CCOCC1 9557 [0,0,0,0,1,0|1,0,0]=2 119 B7R1.3 O=C1CCSCC1 18603 [0,0,0,0,1,0|1,0,0]=2 120 B7R1.3 O=C1CNCCN1 23093 [0,0,0,0,1,0|1,0,0]=2 121 B7R1.3 O=C1CNCCN1 8557 [0,0,0,0,1,0|1,0,0]=2 122 B7R1.3 O=C1CNCCO1 27815 [0,0,0,0,1,0|2,0,0]=3 123 B7R1.3 O=C1COCCN1 25157 [0,0,0,0,1,0|1,0,0]=2 124 B7R1.3 O=C1COCCO1 14989 [0,0,0,0,1,0|2,0,0]=3 125 B7R1.3 O=C1NCCCN1 12422 [0,0,0,0,1,0|1,0,0]=2 126 B7R1.3 O=S1OCCCO1 21949 [0,0,0,0,1,0|3,0,0]=4 127 B7R1.3 OC1CCCCN1 6787 [0,0,0,0,1,0|0,0,2]=3 128 B7R1.3 OC1CCCNC1 6782 [0,0,0,0,1,0|1,0,2]=4 129 B7R1.3 OC1CCCNC1 6818 [0,0,0,0,1,0|1,0,2]=4 130 B7R1.3 OC1CCCOC1 20064 [0,0,0,0,1,0|1,0,2]=4 131 B7R1.3 OC1CCNCC1 6780 [0,0,0,0,1,0|1,0,2]=4 132 B7R1.3 OC1CCNCC1 7714 [0,0,0,0,1,0|1,0,2]=4 133 B7R1.3 OC1CCOCC1 10170 [0,0,0,0,1,0|1,0,2]=4 134 B7R1.3 O[C@@H]1CCCNC1 11310 [0,0,0,0,1,0|1,0,2]=4 135 B7R1.3 O[C@@H]1CCCNC1 24363 [0,0,0,0,1,0|1,0,2]=4 136 B7R1.3 O[C@@H]1CCCOC1 24398 [0,0,0,0,1,0|1,0,2]=4 137 B7R1.3 O[C@H]1CCCNC1 11309 [0,0,0,0,1,0|1,0,2]=4 138 B7R1.3 O[C@H]1CCCNC1 24364 [0,0,0,0,1,0|1,0,2]=4 139 B7R1.3 O[C@H]1CCCOC1 24399 [0,0,0,0,1,0|1,0,2]=4 140 B6R0.6 BrCCCCCBr 3909 [1,0,1,0,0,0|2,0,0]=4 141 B6R0.6 C#CCCCCC 13058 [1,0,1,0,0,0|1,0,1]=4 142 B6R0.6 CCCCCC=O 3077 [1,0,1,0,0,0|0,0,0]=2 143 B6R0.6 CCCCCCBr 3776 [1,0,1,0,0,0|1,0,1]=4 144 B6R0.6 CCCCCCI 3945 [1,0,1,0,0,0|1,0,1]=4 145 B6R0.6 CCCCNCC 10254 [1,0,1,0,0,0|0,0,1]=3 146 B6R0.6 CCCCOCC 12525 [1,0,1,0,0,0|1,0,1]=4 147 B6R0.6 CCC\C=C\CO 18917 [1,0,1,0,0,0|2,0,0]=4 148 B6R0.6 ClCCCCCBr 15271 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.6 ICCCCCI 3853 [1,0,1,0,0,0|2,0,0]=4 150 B6R0.6 NCCOCCN 31824 [1,0,1,0,0,0|2,0,0]=4 151 B6R0.6 NCCOCCN 31825 [1,0,1,0,0,0|2,0,0]=4 152 B6R0.6 O=CCCCCCl 27418 [1,0,1,0,0,0|1,0,0]=3 153 B6R0.6 OCCCCCBr 22989 [1,0,1,0,0,0|1,0,1]=4 154 B6R0.1 CCOC(=O)CF 23757 [1,0,1,0,0,0|2,0,0]=4 155 B6R0.1 CCOC(=O)CN 10926 [1,0,1,0,0,0|2,0,0]=4 156 B6R0.1 CCOC(=O)NO 12451 [1,0,1,0,0,0|2,0,0]=4 157 B6R0.1 CNCC(=O)OC 10901 [1,0,1,0,0,0|2,0,0]=4 158 B6R0.1 COC(=O)CCBr 19970 [1,0,1,0,0,0|2,0,0]=4 159 B6R0.1 COC(=O)CCN 10900 [1,0,1,0,0,0|2,0,0]=4 160 B6R0.1 O=C(CBr)CCBr 35308 [1,0,1,0,0,0|2,0,0]=4 161 B6R0.4 C=C(C)CNCC 10272 [1,0,1,0,0,0|2,0,0]=4 162 B6R0.4 CC(=O)CCCCl 17207 [1,0,1,0,0,0|1,0,0]=3 163 B6R0.4 CC(=O)NCCN 19141 [1,0,1,0,0,0|1,0,0]=3 164 B6R0.4 CC(=O)OCCBr 19081 [1,0,1,0,0,0|2,0,0]=4 165 B6R0.4 CCCCC(=O)Cl 21358 [1,0,1,0,0,0|1,0,0]=3 166 B6R0.4 CCCCC(=O)[O-] 27064 [1,0,1,0,0,0|1,0,0]=3 167 B6R0.4 CCCC[C@@H](C)N 6753 [1,0,1,0,0,0|1,0,1]=4 168 B6R0.4 CCCC[C@@H](C)O 6730 [1,0,1,0,0,0|0,0,2]=4 169 B6R0.4 CCCC[C@H](C)N 6750 [1,0,1,0,0,0|1,0,1]=4 170 B6R0.4 CCCC[C@H](C)O 6732 [1,0,1,0,0,0|0,0,2]=4 171 B6R0.4 CCNCC(=O)O 23122 [1,0,1,0,0,0|2,0,0]=4 172 B6R0.4 CC\C=C\C(C)=O 32068 [1,0,1,0,0,0|0,0,2]=4 173 B6R0.4 O=C(Cl)CCCCl 32347 [1,0,1,0,0,0|2,0,0]=4 174 B6R0.4 O=C(O)CCCBr 3754 [1,0,1,0,0,0|2,0,0]=4 175 B6R0.4 O=C(O)CCCS 36247 [1,0,1,0,0,0|2,0,0]=4 176 B8R0.4 CCCCC\C=C\CO 18916 [0,1,1,0,0,0|1,0,1]=4 177 B8R0.7 CC(=O)OCCCCCl 13100 [0,1,1,0,0,0|2,0,0]=4 178 B8R0.7 CCCCCCC(C)=O 26418 [0,1,1,0,0,0|1,0,0]=3 179 B8R0.7 CCCCCC[C@@H](C)N 6754 [0,1,1,0,0,0|1,0,1]=4 180 B8R0.7 CCCCCC[C@H](C)N 6748 [0,1,1,0,0,0|1,0,1]=4 181 B8R0.7 N=C(N)NCCCCN 15220 [0,1,1,0,0,0|2,0,0]=4 182 B8R0.7 NCCCCCC(=O)O 35821 [0,1,1,0,0,0|0,0,0]=2 183 B8R0.7 O=C(O)CCCCCBr 3777 [0,1,1,0,0,0|1,0,0]=3 184 B8R0.3 CCC[C@H](N)C(=O)OC 10951 [0,1,1,0,0,0|1,0,0]=3 185 B8R0.3 CCOC(=O)C(=O)CC 24313 [0,1,1,0,0,0|2,0,0]=4 186 B8R0.19 CCC(=O)CC(=O)CC 21961 [0,1,1,0,0,0|1,0,1]=4 187 B8R0.19 CCC(=O)CC(=O)OC 18684 [0,1,1,0,0,0|1,0,1]=4 188 B8R0.19 CC[C@@H](N)CC(=O)OC 23281 [0,1,1,0,0,0|1,0,0]=3 189 B8R0.19 CC[C@H](O)CC(=O)OC 21119 [0,1,1,0,0,0|1,0,0]=3 190 B8R0.19 COC(=O)CC(O)CCl 21114 [0,1,1,0,0,0|2,0,0]=4 191 B8R0.19 COC(=O)C[C@H](O)CBr 15563 [0,1,1,0,0,0|2,0,0]=4 192 B8R0.5 CCOC(=O)CC(N)=O 33632 [0,1,1,0,0,0|1,0,1]=4 193 B8R0.5 COCC(C)OC(C)=O 4049 [0,1,1,0,0,0|2,0,0]=4 194 B8R0.21 CCCCCS(=O)(=O)[O-] 25498 [0,1,1,0,0,0|2,0,0]=4 195 B8R0.28 CC(C)CCCC(=O)O 36049 [0,1,1,0,0,0|1,0,0]=3 196 B8R0.28 CN(C)CCCC(=O)O 35953 [0,1,1,0,0,0|2,0,0]=4 197 B8R1.2 BrCC1CCCCC1 3103 [0,1,0,0,1,0|1,0,1]=4 198 B8R1.2 CCC1CCCCN1 6758 [0,1,0,0,1,0|1,0,1]=4 199 B8R1.2 CCN1CCCCC1 7713 [0,1,0,0,1,0|2,0,0]=4 200 B8R1.2 CC[C@@H]1CCCCN1 15599 [0,1,0,0,1,0|1,0,1]=4 201 B8R1.2 CC[C@H]1CCCCN1 15598 [0,1,0,0,1,0|1,0,1]=4 202 B8R1.2 ClCC1CCCCC1 9647 [0,1,0,0,1,0|1,0,1]=4 203 B8R1.2 N#CC1CCCCN1 23031 [0,1,0,0,1,0|1,0,1]=4 204 B8R1.2 NCC1CCCCC1 20540 [0,1,0,0,1,0|1,0,1]=4 205 B8R1.2 NCC1CCCCN1 6725 [0,1,0,0,1,0|1,0,1]=4 206 B8R1.2 NNC1CCCCC1 24152 [0,1,0,0,1,0|1,0,1]=4 207 B8R1.2 NNC1CCCCC1 33541 [0,1,0,0,1,0|1,0,1]=4 208 B8R1.2 NNC1CCCCC1 33542 [0,1,0,0,1,0|1,0,1]=4 209 B8R1.2 O=CC1CCCCC1 3082 [0,1,0,0,1,0|0,0,1]=3 210 B8R1.2 O=CC1CCCCN1 18309 [0,1,0,0,1,0|0,0,1]=3 211 B8R1.2 O=CC1CCCCN1 6773 [0,1,0,0,1,0|0,0,1]=3 212 B8R1.2 O=CC1CCCOC1 23588 [0,1,0,0,1,0|1,0,1]=4 213 B8R1.2 O=CC1CCNCC1 20422 [0,1,0,0,1,0|1,0,1]=4 214 B8R1.2 O=CC1CCNCC1 6774 [0,1,0,0,1,0|1,0,1]=4 215 B8R1.2 O=CC1CCOCC1 9736 [0,1,0,0,1,0|1,0,1]=4 216 B8R1.2 O=CN1CCCCC1 7728 [0,1,0,0,1,0|1,0,0]=3 217 B8R1.2 O=CN1CCNCC1 20982 [0,1,0,0,1,0|2,0,0]=4 218 B8R1.2 O=CN1CCOCC1 15134 [0,1,0,0,1,0|2,0,0]=4 219 B8R1.2 OCC1CCCCC1 3098 [0,1,0,0,1,0|0,0,2]=4 220 B8R1.2 OCC1CCCCN1 6779 [0,1,0,0,1,0|0,0,2]=4 221 B8R1.2 [C-]#[N+]C1CCCCC1 20479 [0,1,0,0,1,0|1,0,1]=4 222 B8R1.3 BrC1CCC(Br)NC1 6747 [0,1,0,0,1,0|1,0,1]=4 223 B8R1.3 CN1CCC(=O)CC1 8508 [0,1,0,0,1,0|1,0,0]=3 224 B8R1.3 CN1CCC(Cl)CC1 2461 [0,1,0,0,1,0|2,0,0]=4 225 B8R1.3 CN1CCC(Cl)CC1 6735 [0,1,0,0,1,0|2,0,0]=4 226 B8R1.3 CN1CCC(N)CC1 3981 [0,1,0,0,1,0|2,0,0]=4 227 B8R1.3 CN1CCC(N)CC1 7619 [0,1,0,0,1,0|2,0,0]=4 228 B8R1.3 CN1CCC(O)CC1 2460 [0,1,0,0,1,0|2,0,0]=4 229 B8R1.3 C[C@H]1CC[C@H](N)CC1 20721 [0,1,0,0,1,0|1,0,1]=4 230 B8R1.3 NC1CCC(Cl)CN1 6752 [0,1,0,0,1,0|1,0,1]=4 231 B8R1.3 N[C@H]1CC[C@@H](N)CC1 15131 [0,1,0,0,1,0|1,0,1]=4 232 B8R1.3 N[C@H]1CC[C@@H](O)CC1 20492 [0,1,0,0,1,0|0,0,2]=4 233 B8R1.3 N[C@H]1CC[C@@H](O)CC1 24009 [0,1,0,0,1,0|0,0,2]=4 234 B8R1.3 N[C@H]1CC[C@@H](O)CC1 24394 [0,1,0,0,1,0|0,0,2]=4 235 B8R1.3 N[C@H]1CC[C@H](N)CC1 15132 [0,1,0,0,1,0|1,0,1]=4 236 B8R1.3 N[C@H]1CC[C@H](O)CC1 19763 [0,1,0,0,1,0|0,0,2]=4 237 B8R1.3 N[C@H]1CC[C@H](O)CC1 5726 [0,1,0,0,1,0|0,0,2]=4 238 B8R1.3 O=C1CCC(=O)CC1 13686 [0,1,0,0,1,0|0,0,1]=3 239 B8R1.3 O=C1CCC(=O)NC1 20071 [0,1,0,0,1,0|0,0,1]=3 240 B8R1.3 O=C1CCC(O)CN1 20072 [0,1,0,0,1,0|0,0,0]=2 241 B8R1.3 O=C1CC[C@@H](O)CN1 20077 [0,1,0,0,1,0|0,0,0]=2 242 B8R1.3 O=C1CC[C@H](O)CN1 20075 [0,1,0,0,1,0|0,0,0]=2 243 B8R1.3 OC1CCC(O)CC1 10843 [0,1,0,0,1,0|0,0,2]=4 244 B8R1.3 O[C@H]1CC[C@H](O)CC1 24603 [0,1,0,0,1,0|0,0,2]=4 245 B8R1.4 BrC1CCCC(Br)N1 6746 [0,1,0,0,1,0|1,0,1]=4 246 B8R1.4 CC1CCNC(C)C1 6757 [0,1,0,0,1,0|1,0,1]=4 247 B8R1.4 CN1CCCC(O)C1 6759 [0,1,0,0,1,0|2,0,0]=4 248 B8R1.4 CN1CCNC(=O)C1 23318 [0,1,0,0,1,0|1,0,0]=3 249 B8R1.4 C[C@H]1CCC[C@@H](C)N1 35553 [0,1,0,0,1,0|1,0,1]=4 250 B8R1.4 NC1=CC(=O)CCC1 14449 [0,1,0,0,1,0|0,0,2]=4 251 B8R1.4 NC1CCCC(O)C1 12673 [0,1,0,0,1,0|0,0,2]=4 252 B8R1.4 NC1CCNC(=O)C1 22226 [0,1,0,0,1,0|0,0,0]=2 253 B8R1.4 N[C@@H]1CCC[C@H](O)C1 19468 [0,1,0,0,1,0|0,0,2]=4 254 B8R1.4 N[C@H]1CCC[C@@H](N)C1 19481 [0,1,0,0,1,0|1,0,1]=4 255 B8R1.4 N[C@H]1CCC[C@H](N)C1 19480 [0,1,0,0,1,0|1,0,1]=4 256 B8R1.4 N[C@H]1CCC[C@H](O)C1 19472 [0,1,0,0,1,0|0,0,2]=4 257 B8R1.4 O=C1CCCC(=O)C1 11104 [0,1,0,0,1,0|0,0,1]=3 258 B8R1.4 O=C1CCCC(=O)O1 36227 [0,1,0,0,1,0|1,0,1]=4 259 B8R1.4 O=C1CCNC(=O)C1 22543 [0,1,0,0,1,0|0,0,1]=3 260 B8R1.4 O=C1CCNC(=O)N1 35825 [0,1,0,0,1,0|1,0,1]=4 261 B8R1.4 O=C1CNCC(=O)N1 22665 [0,1,0,0,1,0|1,0,1]=4 262 B8R1.4 O=C1COCC(=O)C1 23922 [0,1,0,0,1,0|1,0,1]=4 263 B8R1.4 OC1CCCC(O)C1 44853 [0,1,0,0,1,0|0,0,2]=4 264 B8R1.5 CC1=NCCCN1C 14029 [0,1,0,0,1,0|2,0,0]=4 265 B8R1.5 CC1CCCCC1=O 15725 [0,1,0,0,1,0|0,0,0]=2 266 B8R1.5 CC1CCCCC1O 10840 [0,1,0,0,1,0|0,0,2]=4 267 B8R1.5 CC1CCCNC1C 6756 [0,1,0,0,1,0|1,0,1]=4 268 B8R1.5 CC1CNCCC1=O 15830 [0,1,0,0,1,0|1,0,0]=3 269 B8R1.5 CN1CCNCC1=O 23102 [0,1,0,0,1,0|1,0,0]=3 270 B8R1.5 NC1CCCCC1O 35400 [0,1,0,0,1,0|0,0,2]=4 271 B8R1.5 NN1CCCCC1=O 18113 [0,1,0,0,1,0|0,0,0]=2 272 B8R1.5 N[C@@H]1CCCC[C@@H]1O 15185 [0,1,0,0,1,0|0,0,2]=4 273 B8R1.5 N[C@@H]1CCCC[C@H]1N 5751 [0,1,0,0,1,0|1,0,1]=4 274 B8R1.5 N[C@@H]1CCCC[C@H]1O 15120 [0,1,0,0,1,0|0,0,2]=4 275 B8R1.5 N[C@@H]1CCCC[C@H]1O 15180 [0,1,0,0,1,0|0,0,2]=4 276 B8R1.5 N[C@@H]1CCCC[C@H]1O 19553 [0,1,0,0,1,0|0,0,2]=4 277 B8R1.5 N[C@H]1CCCC[C@@H]1N 11249 [0,1,0,0,1,0|1,0,1]=4 278 B8R1.5 N[C@H]1CCCC[C@@H]1N 5753 [0,1,0,0,1,0|1,0,1]=4 279 B8R1.5 N[C@H]1CCCC[C@@H]1O 15181 [0,1,0,0,1,0|0,0,2]=4 280 B8R1.5 N[C@H]1CCCC[C@@H]1O 17368 [0,1,0,0,1,0|0,0,2]=4 281 B8R1.5 N[C@H]1CCCC[C@H]1N 30381 [0,1,0,0,1,0|1,0,1]=4 282 B8R1.5 N[C@H]1CCCC[C@H]1O 14514 [0,1,0,0,1,0|0,0,2]=4 283 B8R1.5 N[C@H]1CCCC[C@H]1O 15183 [0,1,0,0,1,0|0,0,2]=4 284 B8R1.5 N[C@H]1CCCC[C@H]1O 19551 [0,1,0,0,1,0|0,0,2]=4 285 B8R1.5 N[C@H]1CCCNC1=O 17890 [0,1,0,0,1,0|0,0,0]=2 286 B8R1.5 O=C1CCCCC1=O 13287 [0,1,0,0,1,0|0,0,1]=3 287 B8R1.5 O=C1CCCCC1Br 17636 [0,1,0,0,1,0|0,0,0]=2 288 B8R1.5 O=C1CCNCC1Br 14523 [0,1,0,0,1,0|1,0,0]=3 289 B8R1.5 O=C1CCOCC1F 26608 [0,1,0,0,1,0|1,0,0]=3 290 B8R1.72 CC1(O)CCCCC1 20381 [0,1,0,0,1,0|0,0,2]=4 291 B8R1.72 CC1(O)CCCCC1 26390 [0,1,0,0,1,0|0,0,2]=4 292 B8R1.72 C[Si]1(C)CCCCC1 27252 [0,1,0,0,1,0|1,1,0]=4 293 B8R1.72 O=S1(=O)CCCCN1 33754 [0,1,0,0,1,0|1,0,0]=3 294 B8R1.72 O=S1(=O)CCCCO1 35222 [0,1,0,0,1,0|2,0,0]=4 295 B8R1.72 O=S1(=O)CCNCC1 10419 [0,1,0,0,1,0|2,0,0]=4 296 B8R1.72 O=S1(=O)CCNCC1 10420 [0,1,0,0,1,0|2,0,0]=4 297 B8R1.72 O=S1(=O)CCNCC1 30342 [0,1,0,0,1,0|2,0,0]=4 298 B10R1.7 NC1CCCCCNC1=O 14099 [0,1,0,0,0,1|0,0,0]=2 299 B8R1.8 COCC1CCCN1 23933 [0,0,1,1,0,0|2,0,0]=4 300 B8R1.8 COC[C@@H]1CCCN1 18171 [0,0,1,1,0,0|2,0,0]=4 301 B8R1.8 COC[C@H]1CCCN1 8186 [0,0,1,1,0,0|2,0,0]=4 302 B8R1.8 NCC[C@H]1CCCN1 20494 [0,0,1,1,0,0|1,0,1]=4 303 B8R1.1 O=C1CCC(CO)N1 21689 [0,0,1,1,0,0|1,0,0]=3 304 B8R1.1 O=C1CCC(CO)O1 21691 [0,0,1,1,0,0|2,0,0]=4 305 B8R1.1 O=C1CC[C@@H](CBr)N1 13850 [0,0,1,1,0,0|1,0,0]=3 306 B8R1.1 O=C1CC[C@@H](CO)N1 13847 [0,0,1,1,0,0|1,0,0]=3 307 B8R1.1 O=C1CC[C@@H](CO)O1 7065 [0,0,1,1,0,0|2,0,0]=4 308 B8R1.1 O=C1CC[C@H](CBr)N1 13849 [0,0,1,1,0,0|1,0,0]=3 309 B8R1.1 O=C1CC[C@H](CO)N1 13848 [0,0,1,1,0,0|1,0,0]=3 310 B8R1.1 O=C1CC[C@H](CO)O1 21692 [0,0,1,1,0,0|2,0,0]=4 311 B8R1.1 O=C1C[C@H](CF)CO1 29192 [0,0,1,1,0,0|2,0,0]=4 312 B8R1.1 O=C1N[C@@H](CI)CO1 19948 [0,0,1,1,0,0|2,0,0]=4 313 B8R1.1 O=C1N[C@H](CO)CO1 26420 [0,0,1,1,0,0|2,0,0]=4 314 B8R1.38 COC(=O)C1CCC1 23839 [0,0,1,1,0,0|1,0,0]=3 315 B8R1.38 COC(=O)C1CCN1 23978 [0,0,1,1,0,0|2,0,0]=4 316 B8R1.38 COC(=O)C1CNC1 18800 [0,0,1,1,0,0|2,0,0]=4 317 B8R1.38 COC(=O)C1CNC1 23516 [0,0,1,1,0,0|2,0,0]=4 318 B8R1.40 NCC(=O)NC1CC1 16649 [0,0,1,1,0,0|1,0,0]=3 319 B8R1.7 CC(=O)C1CCCC1 16480 [0,0,1,1,0,0|1,0,0]=3 320 B8R1.7 NC(=O)[C@@H]1CCCN1 13020 [0,0,1,1,0,0|1,0,0]=3 321 B8R1.7 NC(=O)[C@@H]1CCCN1 5667 [0,0,1,1,0,0|1,0,0]=3 322 B8R1.7 NC(=O)[C@H]1CCCN1 10997 [0,0,1,1,0,0|1,0,0]=3 323 B8R1.7 O=C(Cl)C1CCCC1 13237 [0,0,1,1,0,0|1,0,0]=3 324 B8R1.7 O=C(Cl)C1CCOC1 30317 [0,0,1,1,0,0|2,0,0]=4 325 B8R1.7 O=C(O)C1CCCC1 14153 [0,0,1,1,0,0|1,0,0]=3 326 B8R1.7 O=C(O)C1CCCN1 20613 [0,0,1,1,0,0|2,0,0]=4 327 B8R1.7 O=C(O)C1CCCO1 7088 [0,0,1,1,0,0|2,0,0]=4 328 B8R1.7 O=C(O)C1CCNC1 10439 [0,0,1,1,0,0|2,0,0]=4 329 B8R1.7 O=C(O)C1CCNC1 16223 [0,0,1,1,0,0|2,0,0]=4 330 B8R1.7 O=C(O)C1CCOC1 22077 [0,0,1,1,0,0|2,0,0]=4 331 B8R1.7 O=C(O)[C@@H]1CCCO1 5795 [0,0,1,1,0,0|2,0,0]=4 332 B8R1.7 O=C(O)[C@@H]1CCNC1 11127 [0,0,1,1,0,0|2,0,0]=4 333 B8R1.7 O=C(O)[C@@H]1CCNC1 15979 [0,0,1,1,0,0|2,0,0]=4 334 B8R1.7 O=C(O)[C@H]1CCCN1 10979 [0,0,1,1,0,0|2,0,0]=4 335 B8R1.7 O=C(O)[C@H]1CCCO1 5796 [0,0,1,1,0,0|2,0,0]=4 336 B8R1.7 O=C(O)[C@H]1CCNC1 11126 [0,0,1,1,0,0|2,0,0]=4 337 B8R1.7 O=C(O)[C@H]1CCNC1 15978 [0,0,1,1,0,0|2,0,0]=4 338 B8R1.37 CCOC(=O)C1CC1 11840 [0,0,1,1,0,0|1,0,0]=3 339 B8R2.25 C1=CCC2OC2C1 32357 [1,0,0,1,0,0|2,0,0]=4 340 B8R2.34 C1CC2CCC1C2 21603 [0,0,0,1,1,0|1,0,1]=4 341 B10R2.2 O=C1C[C@@H]2C=CC[C@@H]2O1 28174 [0,0,0,1,0,1|1,0,1]=4 342 B10R2.42 O=C1OC(=O)C2CCC12 35962 [0,1,0,1,0,0|1,0,1]=4 343 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 17374 [0,1,0,1,0,0|1,0,0]=3 344 B6R1.1 C1=COCCC1 9508 [1,0,0,0,1,0|1,0,1]=4 345 B6R1.1 C1CCNCC1 21964 [1,0,0,0,1,0|0,0,0]=2 346 B6R1.1 C1CCNCC1 7701 [1,0,0,0,1,0|0,0,0]=2 347 B6R1.1 C1CCOCC1 9509 [1,0,0,0,1,0|1,0,0]=3 348 B6R1.1 C1CCSCC1 10562 [1,0,0,0,1,0|1,0,0]=3 349 B6R1.1 C1CNCCN1 19047 [1,0,0,0,1,0|1,0,0]=3 350 B6R1.1 C1CNCCN1 24459 [1,0,0,0,1,0|1,0,0]=3 351 B6R1.1 C1COCCN1 15002 [1,0,0,0,1,0|1,0,0]=3 352 B6R1.1 C1COCCN1 18231 [1,0,0,0,1,0|1,0,0]=3 353 B6R1.1 C1CSCCN1 15746 [1,0,0,0,1,0|1,0,0]=3 354 B6R1.2 BrC1=CCCC1 29715 [0,0,0,0,2,0|1,0,1]=4 355 B6R1.2 CC1=NCCC1 9412 [0,0,0,0,2,0|1,0,1]=4 356 B6R1.2 CC1=NCCN1 10179 [0,0,0,0,2,0|2,0,0]=4 357 B6R1.2 CC1CCCN1 11112 [0,0,0,0,2,0|1,0,1]=4 358 B6R1.2 CC1CCCN1 9410 [0,0,0,0,2,0|1,0,1]=4 359 B6R1.2 CN1CCCC1 11143 [0,0,0,0,2,0|2,0,0]=4 360 B6R1.2 C[C@@H]1CCCN1 11117 [0,0,0,0,2,0|1,0,1]=4 361 B6R1.2 C[C@@H]1CCCN1 15593 [0,0,0,0,2,0|1,0,1]=4 362 B6R1.2 C[C@H]1CCCN1 11115 [0,0,0,0,2,0|1,0,1]=4 363 B6R1.2 C[C@H]1CCCN1 15594 [0,0,0,0,2,0|1,0,1]=4 364 B6R1.2 NC1=NCCC1 32058 [0,0,0,0,2,0|1,0,1]=4 365 B6R1.2 NN1CCCC1 4032 [0,0,0,0,2,0|2,0,0]=4 366 B6R1.2 NN1CCCC1 9801 [0,0,0,0,2,0|2,0,0]=4 367 B6R1.2 O=C1C=CCC1 9803 [0,0,0,0,2,0|0,0,2]=4 368 B6R1.2 O=C1C=CCN1 23871 [0,0,0,0,2,0|0,0,2]=4 369 B6R1.2 O=C1CC=CC1 12654 [0,0,0,0,2,0|0,0,2]=4 370 B6R1.2 O=C1CC=NN1 23623 [0,0,0,0,2,0|1,0,1]=4 371 B6R1.2 O=C1CCCC1 30304 [0,0,0,0,2,0|0,0,0]=2 372 B6R1.2 O=C1CCCN1 19110 [0,0,0,0,2,0|0,0,0]=2 373 B6R1.2 O=C1CCNC1 21931 [0,0,0,0,2,0|1,0,0]=3 374 B6R1.2 O=C1CCOC1 15127 [0,0,0,0,2,0|1,0,0]=3 375 B6R1.2 O=C1CCSC1 5575 [0,0,0,0,2,0|1,0,0]=3 376 B6R1.2 O=C1CNCN1 23395 [0,0,0,0,2,0|1,0,0]=3 377 B6R1.2 O=C1NCCO1 8624 [0,0,0,0,2,0|1,0,0]=3 378 B6R1.2 O=C1NCCS1 14582 [0,0,0,0,2,0|1,0,0]=3 379 B6R1.2 O=S1CCCC1 12544 [0,0,0,0,2,0|1,0,0]=3 380 B6R1.2 OC1CCCC1 20387 [0,0,0,0,2,0|0,0,2]=4 381 B6R1.2 S=C1CCCN1 20272 [0,0,0,0,2,0|0,1,0]=3 382 B6R1.2 S=C1NCCS1 14579 [0,0,0,0,2,0|1,1,0]=4