0 B8R0.7 CC(=O)OCCCCCl 13100 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.7 CCCCCCB(O)O 29486 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.7 CCCCCCC(C)=O 26418 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.7 CCCCCCC(C)O 21480 [0,0,0,0,0,0|0,0,2]=2 4 B8R0.7 CCCCCC[C@@H](C)N 6754 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.7 CCCCCC[C@@H](C)O 6072 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.7 CCCCCC[C@H](C)N 6748 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.7 CCCCCC[C@H](C)O 17259 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.7 CCCCCC[C@H](C)O 6073 [0,0,0,0,0,0|0,0,2]=2 9 B8R0.7 COCCOCC(=O)Cl 36078 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.7 COCCOCC(=O)O 31986 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.7 N=C(N)NCCCCN 15220 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.7 NCCCCCC(=O)O 35821 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.7 O=C(O)CCCCCBr 3777 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.1 BrCCCCCCBr 3894 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.1 C#CCCCCCC 13059 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.1 C#CCCCCCO 13080 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.1 C=CCCCCC=C 36540 [1,0,0,0,0,0|0,0,3]=4 18 B7R0.1 C=CCCCCCBr 26398 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.1 C=CCCCCCCl 25249 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.1 CCCCCCCBr 3775 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.1 CCCCCCCI 3944 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.1 CCOCCCCCl 1933 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.1 ICCCCCCI 3846 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.1 N#CCCCCCBr 12505 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.1 NCCCCCCO 13750 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.1 O=CCCCCC=O 21301 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.1 OCCCCCCCl 16921 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.4 C#CCCCC(=O)O 35033 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.4 CC(=O)CCCCCl 29051 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.4 CC(C)CCCCBr 35107 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.4 CCCCCB(O)O 27260 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.4 CCCCCC(=O)Cl 21359 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.4 CCCCCC(C)O 3094 [1,0,0,0,0,0|0,0,2]=3 34 B7R0.4 CCCCC[C@@H](C)O 6739 [1,0,0,0,0,0|0,0,2]=3 35 B7R0.4 CCCCC[C@H](C)O 6736 [1,0,0,0,0,0|0,0,2]=3 36 B7R0.4 CCC\C=C\C(C)=O 18920 [1,0,0,0,0,0|0,0,2]=3 37 B7R0.4 COCCOC(=O)Cl 12774 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.4 NCCCCC(=O)O 18964 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.4 NCCCCC(=O)O 31880 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.4 O=C(Cl)CCCCBr 36169 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.4 O=C(Cl)CCCCCl 10919 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.4 O=C(O)CCCCBr 3843 [1,0,0,0,0,0|2,0,0]=3 43 B9R0.1 COC(=O)CCCC(=O)Cl 14033 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.2 CC(=O)OCCCCCCl 3676 [0,1,0,0,0,0|1,0,0]=2 45 B9R0.2 CC(C)CCCCCCBr 18956 [0,1,0,0,0,0|1,0,1]=3 46 B9R0.2 CCCCCCCC(=O)[O-] 12870 [0,1,0,0,0,0|1,0,0]=2 47 B9R0.4 CSCC[C@H](N)CC(=O)O 30081 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.38 CCCCCCS(=O)(=O)[O-] 25499 [0,1,0,0,0,0|2,0,0]=3 49 B9R0.46 CCC(C)CCCCCBr 18977 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.46 CCCCCCC(C)CBr 18952 [0,1,0,0,0,0|1,0,1]=3 51 B9R0.46 CCCCCCC(O)CO 36051 [0,1,0,0,0,0|0,0,2]=3 52 B9R0.46 COC(=O)CCCCCBr 16910 [0,1,0,0,0,0|1,0,0]=2 53 B9R0.47 NCCCCC(N)C(=O)O 12390 [0,1,0,0,0,0|2,0,0]=3 54 B9R0.47 NCCCCC(N)C(=O)O 12448 [0,1,0,0,0,0|2,0,0]=3 55 B9R0.47 NCCCC[C@@H](N)C(=O)O 13028 [0,1,0,0,0,0|2,0,0]=3 56 B9R0.47 NCCCC[C@@H](N)C(=O)O 17982 [0,1,0,0,0,0|2,0,0]=3 57 B9R0.47 NCCCC[C@@H](N)C(=O)O 6286 [0,1,0,0,0,0|2,0,0]=3 58 B9R0.47 NCCCC[C@@H](N)C(N)=O 35109 [0,1,0,0,0,0|2,0,0]=3 59 B9R0.47 NCCCC[C@H](N)C(=O)O 23203 [0,1,0,0,0,0|2,0,0]=3 60 B9R0.47 NCCCC[C@H](N)C(=O)O 36140 [0,1,0,0,0,0|2,0,0]=3 61 B9R0.47 NCCCC[C@H](N)C(=O)O 36361 [0,1,0,0,0,0|2,0,0]=3 62 B9R0.47 NCCCC[C@H](N)C(=O)O 7967 [0,1,0,0,0,0|2,0,0]=3 63 B9R0.47 N[C@@H](CCCCO)C(=O)O 29947 [0,1,0,0,0,0|2,0,0]=3 64 B9R0.48 CCOC(=O)CCC(=O)Cl 44764 [0,1,0,0,0,0|2,0,1]=4 65 B9R0.48 CCOC(=O)CCC(C)=O 11220 [0,1,0,0,0,0|1,0,1]=3 66 B9R0.55 O=C(Cl)CCCCC(=O)Cl 13242 [0,1,0,0,0,0|2,0,1]=4 67 B9R0.55 O=C([O-])CCCCC(=O)[O-] 35724 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.2 CCN1CCCC(Cl)C1 6737 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.2 CCN1CCCC(O)C1 7716 [0,0,0,1,0,0|1,0,2]=4 70 B9R1.2 CN1CCCC(CO)C1 8874 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.6 CC(=O)C1CCNCC1 23348 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.6 CC(=O)C1CCOCC1 23581 [0,0,0,1,0,0|1,0,0]=2 73 B9R1.6 CC(=O)N1CCCCC1 7729 [0,0,0,1,0,0|1,0,0]=2 74 B9R1.6 CC(=O)N1CCNCC1 8565 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.6 CC(=O)N1CCOCC1 35160 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.6 CN(C)C1CCCNC1 6751 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.6 CN(C)C1CCNCC1 19773 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.6 CN(C)C1CCNCC1 6749 [0,0,0,1,0,0|3,0,0]=4 79 B9R1.6 CN(C)C1CCOCC1 26061 [0,0,0,1,0,0|3,0,0]=4 80 B9R1.6 NC(=O)C1CCCCN1 11795 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.6 NC(=O)C1CCCNC1 11797 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.6 NC(=O)C1CCNCC1 9754 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.6 NC(=O)C1CCOCC1 9735 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.6 O=C(Cl)C1CCCCC1 35229 [0,0,0,1,0,0|1,0,0]=2 85 B9R1.6 O=C(Cl)C1CCOCC1 12437 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.6 O=C(Cl)N1CCOCC1 36111 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.6 O=C(O)C1CC=CCC1 11032 [0,0,0,1,0,0|1,0,2]=4 88 B9R1.6 O=C(O)C1CCCCC1 10570 [0,0,0,1,0,0|1,0,0]=2 89 B9R1.6 O=C(O)C1CCCCN1 7628 [0,0,0,1,0,0|2,0,0]=3 90 B9R1.6 O=C(O)C1CCCCN1 7717 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.6 O=C(O)C1CCCCO1 19589 [0,0,0,1,0,0|2,0,0]=3 92 B9R1.6 O=C(O)C1CCCNC1 6793 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.6 O=C(O)C1CCCOC1 19540 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.6 O=C(O)C1CCNCC1 7718 [0,0,0,1,0,0|2,0,0]=3 95 B9R1.6 O=C(O)C1CCOCC1 9730 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.6 O=C(O)C1CNCCN1 8582 [0,0,0,1,0,0|3,0,0]=4 97 B9R1.6 O=C(O)C1CSCCN1 11027 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.6 O=C(O)N1CCCCC1 6791 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.6 O=C(O)[C@@H]1CC=CCC1 24718 [0,0,0,1,0,0|1,0,2]=4 100 B9R1.6 O=C(O)[C@@H]1CCCCN1 5567 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.6 O=C(O)[C@@H]1CCCNC1 5658 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.6 O=C(O)[C@@H]1CNCCN1 13115 [0,0,0,1,0,0|3,0,0]=4 103 B9R1.6 O=C(O)[C@@H]1CNCCN1 15229 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.6 O=C(O)[C@H]1CCCCN1 5635 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.6 O=C(O)[C@H]1CCCNC1 5657 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.6 O=C(O)[C@H]1CNCCN1 13117 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.6 O=C(O)[C@H]1CNCCN1 6078 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.6 O=C(O)[C@H]1COCCN1 27275 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.6 OB(O)C1CCCCC1 6024 [0,0,0,1,0,0|2,0,1]=4 110 B9R1.13 O=C(Cl)OC1CCCC1 25250 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.13 O=C(O)CC1C=CCC1 31950 [0,0,0,1,0,0|1,0,2]=4 112 B9R1.13 O=C(O)CC1CCCO1 15380 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.13 O=C(O)C[C@@H]1CCCN1 15697 [0,0,0,1,0,0|2,0,0]=3 114 B9R1.41 CC(=O)C1CCOC1=O 6957 [0,0,0,1,0,0|2,0,1]=4 115 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 23256 [0,0,0,1,0,0|2,0,0]=3 116 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 19520 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 23258 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 23259 [0,0,0,1,0,0|2,0,0]=3 119 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 27193 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 23257 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.48 O=C1CCCCC(=O)C1 20261 [0,0,0,1,0,0|1,0,1]=3 122 B6R0.6 BrCCCCCBr 3909 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.6 C#CCCCCC 13058 [2,0,0,0,0,0|0,0,2]=4 124 B6R0.6 CCCCCC=O 3077 [2,0,0,0,0,0|0,0,0]=2 125 B6R0.6 CCCCCCBr 3776 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.6 CCCCCCI 3945 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.6 CCCCNCC 10254 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.6 CCCCOCC 12525 [2,0,0,0,0,0|1,0,0]=3 129 B6R0.6 CCCOCCCl 14348 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.6 CCOCCCO 1937 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.6 COCCCCCl 1935 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.6 COCCCCO 1938 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.6 ClCCCCCBr 15271 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.6 ICCCCCI 3853 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.6 O=CCCCCCl 27418 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.6 OCCCCCBr 22989 [2,0,0,0,0,0|1,0,1]=4 137 B6R0.4 C=C(C)CNCC 10272 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.4 CC(=O)CCCCl 17207 [2,0,0,0,0,0|1,0,0]=3 139 B6R0.4 CC(=O)NCCN 19141 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.4 CC(=O)OCCBr 19081 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.4 CCCCC(=O)Cl 21358 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.4 CCCCC(=O)[O-] 27064 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.4 CCCC[C@@H](C)N 6753 [2,0,0,0,0,0|1,0,1]=4 144 B6R0.4 CCCC[C@@H](C)O 6730 [2,0,0,0,0,0|0,0,2]=4 145 B6R0.4 CCCC[C@H](C)N 6750 [2,0,0,0,0,0|1,0,1]=4 146 B6R0.4 CCCC[C@H](C)O 6732 [2,0,0,0,0,0|0,0,2]=4 147 B6R0.4 CCNCC(=O)O 23122 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.4 CC\C=C\C(C)=O 32068 [2,0,0,0,0,0|0,0,2]=4 149 B6R0.4 O=C(Cl)CCCCl 32347 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.4 O=C(O)CCCBr 3754 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.4 O=C(O)CCCS 36247 [2,0,0,0,0,0|2,0,0]=4 152 B8R0.4 BrCCCCCCCBr 3887 [1,1,0,0,0,0|1,0,1]=4 153 B8R0.4 C#CCCCCCCC 13060 [1,1,0,0,0,0|0,0,2]=4 154 B8R0.4 CCCCCC#CCO 13066 [1,1,0,0,0,0|0,0,2]=4 155 B8R0.4 CCCCCCCCI 3959 [1,1,0,0,0,0|0,0,1]=3 156 B8R0.4 CCCCC\C=C\CO 18916 [1,1,0,0,0,0|0,0,1]=3 157 B8R0.4 CCCOCCCCCl 1931 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.4 OCCCCCCCO 11489 [1,1,0,0,0,0|0,0,2]=4 159 B8R0.6 C#CC(O)CCCCC 11033 [1,1,0,0,0,0|0,0,2]=4 160 B8R0.5 CCOC(=O)CC(C)=O 14160 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.5 COCC(C)OC(C)=O 4049 [1,1,0,0,0,0|2,0,0]=4 162 B8R0.8 CCCC[C@@H](N)C(=O)O 27353 [1,1,0,0,0,0|1,0,0]=3 163 B8R0.8 CCCC[C@H](N)C(=O)O 21410 [1,1,0,0,0,0|1,0,0]=3 164 B8R0.8 CSCCC(N)C(=O)O 20205 [1,1,0,0,0,0|2,0,0]=4 165 B8R0.8 CSCC[C@H](N)C(=O)O 14349 [1,1,0,0,0,0|2,0,0]=4 166 B8R0.8 CSCC[C@H](N)C(=O)O 18503 [1,1,0,0,0,0|2,0,0]=4 167 B8R0.8 C[Se]CC[C@H](N)C(=O)O 13834 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.8 NCCCC(N)C(=O)O 36401 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.8 NCCC[C@@H](N)C(=O)O 12441 [1,1,0,0,0,0|2,0,0]=4 170 B8R0.8 NCCC[C@H](N)C(=O)O 13024 [1,1,0,0,0,0|2,0,0]=4 171 B8R0.8 NCCC[C@H](N)C(=O)O 21979 [1,1,0,0,0,0|2,0,0]=4 172 B8R0.21 CCCCCS(=O)(=O)[O-] 25498 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.28 CC(=O)CCC=C(C)C 35423 [1,1,0,0,0,0|0,0,2]=4 174 B8R0.28 CC(C)CCCC(=O)O 36049 [1,1,0,0,0,0|1,0,0]=3 175 B8R0.28 CN(C)CCCC(=O)O 35953 [1,1,0,0,0,0|2,0,0]=4 176 B10R0.3 CC(C)=CCCC(C)CCO 35065 [0,2,0,0,0,0|1,0,1]=4 177 B10R0.3 CCOC(=O)CCCC(=O)Cl 16647 [0,2,0,0,0,0|1,0,1]=4 178 B10R0.3 CCOC(=O)CCCC(C)=O 27277 [0,2,0,0,0,0|0,0,1]=3 179 B10R0.65 CCC(C)(O)CCCC(C)C 35062 [0,2,0,0,0,0|1,0,1]=4 180 B10R0.98 CC(=O)OCCC(Cl)C(C)=O 36260 [0,2,0,0,0,0|1,0,1]=4 181 B10R0.98 CC(C)CCC[C@H](N)C(=O)O 29990 [0,2,0,0,0,0|1,0,0]=3 182 B10R0.4 C=CCCCCCCC(=O)O 27146 [0,2,0,0,0,0|1,0,0]=3 183 B10R0.4 CCCCCCCCN(C)C 35306 [0,2,0,0,0,0|2,0,0]=4 184 B10R0.4 NCCCCCCCC(=O)O 13165 [0,2,0,0,0,0|1,0,0]=3 185 B10R0.4 NCCOCCOCC(=O)O 33692 [0,2,0,0,0,0|2,0,0]=4 186 B10R0.6 COCCOC(=O)CC(C)=O 35975 [0,2,0,0,0,0|1,0,1]=4 187 B10R0.6 NCCCC[C@H](N)CC(=O)O 30079 [0,2,0,0,0,0|1,0,0]=3 188 B10R0.22 CCCCCCCS(=O)(=O)[O-] 25500 [0,2,0,0,0,0|2,0,0]=4 189 B10R0.74 CCCCCC#CC(=O)OC 45055 [0,2,0,0,0,0|0,0,1]=3 190 B10R0.75 CNCCCCC(N)C(=O)O 27554 [0,2,0,0,0,0|1,0,0]=3 191 B10R0.97 CC(C)CCSCCC(C)C 21970 [0,2,0,0,0,0|1,0,1]=4 192 B10R0.97 O=C(O)CCCCCC(=O)O 20083 [0,2,0,0,0,0|1,0,1]=4 193 B10R0.81 CCCCC(N)C(O)C(=O)O 24556 [0,2,0,0,0,0|1,0,0]=3 194 B10R0.81 CCCC[C@@H](N)[C@@H](O)C(=O)O 24511 [0,2,0,0,0,0|1,0,0]=3 195 B10R0.81 CCCC[C@@H](N)[C@H](O)C(=O)O 24509 [0,2,0,0,0,0|1,0,0]=3 196 B10R0.81 CCCC[C@H](N)[C@@H](O)C(=O)O 24565 [0,2,0,0,0,0|1,0,0]=3 197 B10R0.1 CCOC(=O)CCCCCBr 3953 [0,2,0,0,0,0|1,0,0]=3 198 B10R0.83 COC(=O)[C@@H](N)CCCCN 18979 [0,2,0,0,0,0|1,0,0]=3 199 B8R1.2 BrCC1CCCCC1 3103 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.2 CCC1CCCCN1 6758 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.2 CCN1CCCCC1 7713 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.2 CC[C@@H]1CCCCN1 15599 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.2 CC[C@@H]1COCCN1 11361 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.2 CC[C@@H]1COCCN1 17027 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.2 CC[C@H]1CCCCN1 15598 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.2 CC[C@H]1CNCCO1 11357 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.2 CC[C@H]1CNCCO1 17498 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.2 CC[C@H]1COCCN1 11362 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.2 CC[C@H]1COCCN1 17024 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.2 CNC1CCCNC1 6874 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.2 CNC1CCOCC1 17652 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.2 COC1CCNCC1 8024 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.2 ClCC1CCCCC1 9647 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.2 NCC1CCCCC1 20540 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.2 NCC1CCCNC1 35502 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.2 NCC1CCCNC1 6723 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.2 NCC1CCCOC1 14606 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.2 NCC1CCCOC1 16813 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.2 NNC1CCCCC1 24152 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.2 NNC1CCCCC1 33541 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.2 NNC1CCCCC1 33542 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.2 O=CC1CCCCC1 3082 [1,0,0,1,0,0|0,0,0]=2 223 B8R1.2 O=CC1CCCCN1 18309 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.2 O=CC1CCCCN1 6773 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.2 O=CC1CCCOC1 23588 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.2 O=CC1CCNCC1 20422 [1,0,0,1,0,0|1,0,0]=3 227 B8R1.2 O=CC1CCNCC1 6774 [1,0,0,1,0,0|1,0,0]=3 228 B8R1.2 O=CC1CCOCC1 9736 [1,0,0,1,0,0|1,0,0]=3 229 B8R1.2 O=CN1CCCCC1 7728 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.2 O=CN1CCNCC1 20982 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.2 O=CN1CCOCC1 15134 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.2 OCC1CCCCC1 3098 [1,0,0,1,0,0|0,0,2]=4 233 B8R1.2 OCC1CCCNC1 6775 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.2 OCC1CCCOC1 35472 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.2 OCC1CCCOC1 35472 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.2 OC[C@@H]1CCCNC1 16103 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.2 OC[C@H]1CCCNC1 16102 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.2 [C-]#[N+]C1CCCCC1 20479 [1,0,0,1,0,0|1,0,1]=4 239 B8R1.5 CC1=NCCCN1C 14029 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.5 CC1CCCCC1=O 15725 [1,0,0,1,0,0|0,0,0]=2 241 B8R1.5 CC1CCCCC1O 10840 [1,0,0,1,0,0|0,0,2]=4 242 B8R1.5 CC1CCCNC1C 6756 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.5 CC1CNCCC1=O 15830 [1,0,0,1,0,0|1,0,0]=3 244 B8R1.5 CC1CNCCN1C 9353 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.5 CN1CCNCC1=O 23102 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.5 NN1CCCCC1=O 18113 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.5 N[C@H]1CCCNC1=O 17890 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.5 O=C1CCCCC1=O 13287 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.5 O=C1CCCCC1Br 17636 [1,0,0,1,0,0|1,0,0]=3 250 B8R1.5 O=C1CCNCC1Br 14523 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.5 O=C1CCOCC1F 26608 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.8 COCC1CCCN1 23933 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.8 COC[C@@H]1CCCN1 18171 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.8 COC[C@H]1CCCN1 8186 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.11 CN1CCCC1CO 9180 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.11 CN1CCC[C@H]1CO 7069 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.22 N[C@@H]1CCCCNC1 22272 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.22 O=C1CCCCCC1 15555 [1,0,0,1,0,0|0,0,0]=2 259 B8R1.22 O=C1CCCCCN1 32271 [1,0,0,1,0,0|1,0,0]=3 260 B8R1.22 O=C1CCCCCO1 15924 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.22 O=C1CCCNCC1 17662 [1,0,0,1,0,0|1,0,0]=3 262 B8R1.1 O=C1CCC(CO)N1 21689 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.1 O=C1CCC(CO)O1 21691 [1,0,0,1,0,0|2,0,0]=4 264 B8R1.1 O=C1CC[C@@H](CBr)N1 13850 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.1 O=C1CC[C@@H](CO)N1 13847 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.1 O=C1CC[C@@H](CO)O1 7065 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.1 O=C1CC[C@H](CBr)N1 13849 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.1 O=C1CC[C@H](CO)N1 13848 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.1 O=C1CC[C@H](CO)O1 21692 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.1 O=C1C[C@H](CF)CO1 29192 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.4 CN1CCNC(=O)C1 23318 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.4 C[C@H]1CCC[C@@H](C)N1 35553 [1,0,0,1,0,0|1,0,1]=4 273 B8R1.4 NC1CCNC(=O)C1 22226 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.4 O=C1CCCC(=O)C1 11104 [1,0,0,1,0,0|1,0,1]=4 275 B8R1.7 CC(=O)C1CCCC1 16480 [1,0,0,1,0,0|0,0,0]=2 276 B8R1.7 NC(=O)[C@@H]1CCCN1 13020 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.7 NC(=O)[C@@H]1CCCN1 5667 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.7 NC(=O)[C@H]1CCCN1 10997 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.7 O=C(Cl)C1CCCC1 13237 [1,0,0,1,0,0|1,0,0]=3 280 B8R1.7 O=C(Cl)C1CCOC1 30317 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.7 O=C(O)C1CCCC1 14153 [1,0,0,1,0,0|1,0,0]=3 282 B8R1.7 O=C(O)C1CCCN1 20613 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.7 O=C(O)C1CCCO1 7088 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.7 O=C(O)C1CCNC1 10439 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.7 O=C(O)C1CCNC1 16223 [1,0,0,1,0,0|2,0,0]=4 286 B8R1.7 O=C(O)C1CCOC1 22077 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.7 O=C(O)[C@@H]1CCCO1 5795 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.7 O=C(O)[C@@H]1CCNC1 11127 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.7 O=C(O)[C@@H]1CCNC1 15979 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.7 O=C(O)[C@H]1CCCN1 10979 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.7 O=C(O)[C@H]1CCCO1 5796 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.7 O=C(O)[C@H]1CCNC1 11126 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.7 O=C(O)[C@H]1CCNC1 15978 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.72 CC1(O)CCCCC1 20381 [1,0,0,1,0,0|0,0,2]=4 295 B8R1.72 CC1(O)CCCCC1 26390 [1,0,0,1,0,0|0,0,2]=4 296 B8R1.72 C[Si]1(C)CCCCC1 27252 [1,0,0,1,0,0|1,1,0]=4 297 B10R1.13 CC(=O)N1CCC(=O)CC1 19615 [0,1,0,1,0,0|1,0,1]=4 298 B10R1.13 CC(=O)N1CCC(N)CC1 23358 [0,1,0,1,0,0|1,0,0]=3 299 B10R1.13 CN1CCC(C(=O)O)CC1 7222 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.13 CN1CCC(C(=O)O)CC1 8007 [0,1,0,1,0,0|2,0,0]=4 301 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 2493 [0,1,0,1,0,0|1,0,0]=3 302 B10R1.13 NC(=O)C1CCC(=O)CC1 26304 [0,1,0,1,0,0|1,0,1]=4 303 B10R1.13 NC1CCC(C(=O)O)CC1 23274 [0,1,0,1,0,0|1,0,0]=3 304 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 21310 [0,1,0,1,0,0|1,0,0]=3 305 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 14085 [0,1,0,1,0,0|1,0,0]=3 306 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 4022 [0,1,0,1,0,0|1,0,0]=3 307 B10R1.13 O=C1CCC(C(=O)O)CC1 12606 [0,1,0,1,0,0|1,0,1]=4 308 B10R1.14 COC(=O)C1CCC(=O)C1 15798 [0,1,0,1,0,0|1,0,1]=4 309 B10R1.18 CC(=O)NC1CCNCC1 9227 [0,1,0,1,0,0|1,0,0]=3 310 B10R1.18 CC(=O)OC1CCNCC1 35466 [0,1,0,1,0,0|1,0,0]=3 311 B10R1.18 O=C(O)CC1CCNCC1 30432 [0,1,0,1,0,0|1,0,0]=3 312 B10R1.18 O=C(O)CC1CCOCC1 9729 [0,1,0,1,0,0|1,0,0]=3 313 B10R1.18 O=C(O)CN1CCOCC1 10332 [0,1,0,1,0,0|2,0,0]=4 314 B10R1.61 CC(=O)N1CCCCC1=O 23360 [0,1,0,1,0,0|1,0,1]=4 315 B10R1.61 CN1CCCCC1C(=O)O 8006 [0,1,0,1,0,0|1,0,0]=3 316 B10R1.64 O=C(O)CC1NCCC1O 24458 [0,1,0,1,0,0|2,0,0]=4 317 B10R1.64 O=C(O)C[C@@H]1NCC[C@@H]1O 24457 [0,1,0,1,0,0|2,0,0]=4 318 B10R1.64 O=C(O)C[C@@H]1NCC[C@H]1O 24455 [0,1,0,1,0,0|2,0,0]=4 319 B10R1.64 O=C(O)C[C@H]1NCC[C@@H]1O 24453 [0,1,0,1,0,0|2,0,0]=4 320 B10R1.64 O=C(O)C[C@H]1NCC[C@H]1O 24456 [0,1,0,1,0,0|2,0,0]=4 321 B10R1.66 O=C(Cl)CCC1CCCC1 21363 [0,1,0,1,0,0|1,0,0]=3 322 B10R1.28 CS(=O)(=O)C1CCNCC1 34174 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.1 CCCC1CCC(=O)CC1 14023 [0,1,0,1,0,0|0,0,0]=2 324 B10R1.1 CCCN1CCC(=O)CC1 2038 [0,1,0,1,0,0|1,0,0]=3 325 B10R1.7 NC1CCCCCNC1=O 14099 [0,1,0,1,0,0|1,0,0]=3 326 B10R1.15 COC(=O)C1=CCCCC1 11031 [0,1,0,1,0,0|0,0,2]=4 327 B10R1.15 COC(=O)C1CCCCC1 11146 [0,1,0,1,0,0|0,0,0]=2 328 B10R1.15 COC(=O)C1CCCCN1 9441 [0,1,0,1,0,0|1,0,0]=3 329 B10R1.15 COC(=O)C1CCCCO1 19541 [0,1,0,1,0,0|1,0,0]=3 330 B10R1.15 COC(=O)C1CCCNC1 11756 [0,1,0,1,0,0|1,0,0]=3 331 B10R1.15 COC(=O)C1CCNCC1 7745 [0,1,0,1,0,0|1,0,0]=3 332 B10R1.15 COC(=O)C1CCOCC1 9715 [0,1,0,1,0,0|1,0,0]=3 333 B10R1.15 COC(=O)N1CCNCC1 45137 [0,1,0,1,0,0|2,0,0]=4 334 B10R1.15 COC(=O)[C@H]1CCCCN1 24184 [0,1,0,1,0,0|1,0,0]=3 335 B10R1.15 NCC(=O)N1CCCCC1 9268 [0,1,0,1,0,0|1,0,0]=3 336 B10R1.15 O=C(CCl)N1CCCCC1 8026 [0,1,0,1,0,0|1,0,0]=3 337 B10R1.149 COC(=O)C1CCCC1O 17158 [0,1,0,1,0,0|1,0,0]=3 338 B10R1.113 CN1CCCC(C(=O)O)C1 8008 [0,1,0,1,0,0|2,0,0]=4 339 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 35803 [0,1,0,1,0,0|2,0,0]=4 340 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 21565 [0,1,0,1,0,0|1,0,0]=3 341 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 21587 [0,1,0,1,0,0|1,0,0]=3 342 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 21566 [0,1,0,1,0,0|1,0,0]=3 343 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 20831 [0,1,0,1,0,0|2,0,0]=4 344 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 16279 [0,1,0,1,0,0|2,0,0]=4 345 B10R1.363 CC(C)C1(O)CCCCC1 20241 [0,1,0,1,0,0|1,0,1]=4 346 B10R1.363 NC1(C(=O)O)CCCCC1 13882 [0,1,0,1,0,0|1,0,0]=3 347 B10R1.363 NC1(C(=O)O)CCCNC1 24365 [0,1,0,1,0,0|2,0,0]=4 348 B10R1.363 NC1(C(=O)O)CCCNC1 24366 [0,1,0,1,0,0|2,0,0]=4 349 B10R1.363 NC1(C(=O)O)CCCOC1 24400 [0,1,0,1,0,0|2,0,0]=4 350 B10R1.363 NC1(C(=O)O)CCNCC1 4003 [0,1,0,1,0,0|2,0,0]=4 351 B10R1.363 NC1(C(=O)O)CCOCC1 24396 [0,1,0,1,0,0|2,0,0]=4 352 B10R1.363 NC1(C(=O)O)CCOCC1 24397 [0,1,0,1,0,0|2,0,0]=4 353 B10R1.363 N[C@]1(C(=O)O)CCCOC1 24401 [0,1,0,1,0,0|2,0,0]=4 354 B10R2.62 O=C1CN2CCC1CC2 19166 [0,0,0,2,0,0|1,0,0]=3 355 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 17374 [0,0,0,2,0,0|1,0,0]=3 356 B10R2.408 B1C2CCCC1CCC2 18188 [0,0,0,2,0,0|1,0,1]=4 357 B10R2.534 O=C1CCCC2(CC2)N1 32188 [0,0,0,2,0,0|1,0,0]=3 358 B10R2.2 NN1CC2CCCC2C1 20719 [0,0,0,2,0,0|2,0,0]=4 359 B10R2.2 NN1CC2CCCC2C1 36121 [0,0,0,2,0,0|2,0,0]=4