0 B10R0.1 CCOC(=O)CCCCCBr 3953 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.5 CCCCCC(=O)OCC 15737 [1,0,0,0,0,0|0,0,0]=1 2 B9R0.5 CCOC(=O)CCCCBr 3955 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.5 CCOC(=O)CCCCN 31885 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.5 CCOC(=O)CCN=C=O 30451 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.5 CCO\C=C\C(=O)OCC 12909 [1,0,0,0,0,0|1,0,2]=4 6 B9R0.5 CCO\C=C\C(=O)OCC 27595 [1,0,0,0,0,0|1,0,2]=4 7 B9R0.45 CCCCCCC#CCO 13067 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.45 CCCCCCCCCBr 3809 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.45 CCCCCCCCCI 3958 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.46 CCC(C)CCCCCBr 18977 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.46 CCCCCCC(C)CBr 18952 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.46 CCCCCCC(O)CO 36051 [1,0,0,0,0,0|1,0,2]=4 13 B9R0.46 COC(=O)CCCCCBr 16910 [1,0,0,0,0,0|1,0,0]=2 14 B11R0.155 CCOC(=O)[C@@H](N)CCCCN 18980 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.16 CCOC(=O)C1CCCCC1 36040 [0,0,0,1,0,0|0,0,0]=1 16 B11R1.16 CCOC(=O)C1CCCCN1 17507 [0,0,0,1,0,0|1,0,0]=2 17 B11R1.16 CCOC(=O)C1CCCCN1 7720 [0,0,0,1,0,0|1,0,0]=2 18 B11R1.16 CCOC(=O)C1CCCNC1 7719 [0,0,0,1,0,0|1,0,0]=2 19 B11R1.16 CCOC(=O)C1CCNCC1 26169 [0,0,0,1,0,0|1,0,0]=2 20 B11R1.16 CCOC(=O)C1CCNCC1 7219 [0,0,0,1,0,0|1,0,0]=2 21 B11R1.16 CCOC(=O)C1CNCCO1 32242 [0,0,0,1,0,0|2,0,0]=3 22 B11R1.16 CCOC(=O)C1SCCCS1 22055 [0,0,0,1,0,0|2,0,0]=3 23 B11R1.16 CCOC(=O)N1CCNCC1 15287 [0,0,0,1,0,0|2,0,0]=3 24 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 23481 [0,0,0,1,0,0|1,0,0]=2 25 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 11757 [0,0,0,1,0,0|1,0,0]=2 26 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 16883 [0,0,0,1,0,0|1,0,0]=2 27 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 5874 [0,0,0,1,0,0|1,0,0]=2 28 B11R1.16 CCOC(=O)[C@H]1CCCNC1 11758 [0,0,0,1,0,0|1,0,0]=2 29 B11R1.16 CCOC(=O)[C@H]1CCCNC1 11760 [0,0,0,1,0,0|1,0,0]=2 30 B11R1.16 CNCC(=O)N1CCCCC1 8029 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.30 CCOC(=O)CC1CCCO1 15629 [0,0,0,1,0,0|1,0,0]=2 32 B11R1.199 CCOC(=O)C1CCCC1=O 14157 [0,0,0,1,0,0|1,0,1]=3 33 B11R1.199 CCOC(=O)C1COCC1=O 35513 [0,0,0,1,0,0|2,0,1]=4 34 B8R0.1 C=COC(=O)CCCC 13121 [2,0,0,0,0,0|0,0,2]=4 35 B8R0.1 CCOC(=O)CCC#N 31621 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.1 CCOC(=O)CCCBr 3949 [2,0,0,0,0,0|1,0,0]=3 37 B8R0.1 CCOC(=O)CCCI 35852 [2,0,0,0,0,0|1,0,0]=3 38 B8R0.1 CCOC(=O)NCCCl 23479 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.4 CCCCCCCCI 3959 [2,0,0,0,0,0|1,0,1]=4 40 B8R0.4 CCCCC\C=C\CO 18916 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.6 CCCSCC(=O)OC 28955 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.6 COC(=O)CCCCN 31883 [2,0,0,0,0,0|1,0,0]=3 43 B8R0.7 CC(=O)OCCCCCl 13100 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.7 CCCCCCB(O)O 29486 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.7 CCCCCCC(C)=O 26418 [2,0,0,0,0,0|0,0,0]=2 46 B8R0.7 CCCCCCC(C)O 21480 [2,0,0,0,0,0|0,0,2]=4 47 B8R0.7 CCCCCC[C@@H](C)N 6754 [2,0,0,0,0,0|1,0,1]=4 48 B8R0.7 CCCCCC[C@@H](C)O 6072 [2,0,0,0,0,0|0,0,2]=4 49 B8R0.7 CCCCCC[C@H](C)N 6748 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.7 CCCCCC[C@H](C)O 17259 [2,0,0,0,0,0|0,0,2]=4 51 B8R0.7 CCCCCC[C@H](C)O 6073 [2,0,0,0,0,0|0,0,2]=4 52 B8R0.7 COCCOCC(=O)O 31986 [2,0,0,0,0,0|2,0,0]=4 53 B8R0.7 NCCCCCC(=O)O 35821 [2,0,0,0,0,0|1,0,0]=3 54 B8R0.7 O=C(O)CCCCCBr 3777 [2,0,0,0,0,0|1,0,0]=3 55 B10R0.2 CCOC(=O)CC(=O)OCC 23745 [1,1,0,0,0,0|1,0,1]=4 56 B10R0.2 CCOC(=O)C[C@@H](O)CC#N 21112 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.2 CCOC(=O)C[C@H](O)CC#N 5748 [1,1,0,0,0,0|1,0,1]=4 58 B10R0.3 CCOC(=O)CCCC(=O)Cl 16647 [1,1,0,0,0,0|1,0,1]=4 59 B10R0.3 CCOC(=O)CCCC(C)=O 27277 [1,1,0,0,0,0|0,0,1]=3 60 B10R0.19 CCCCC(=O)C(=O)OCC 18138 [1,1,0,0,0,0|0,0,1]=3 61 B10R0.19 CCOC(=O)[C@@H](N)CCSC 14924 [1,1,0,0,0,0|1,0,0]=3 62 B10R0.71 CCCCCCC#CCCO 13074 [1,1,0,0,0,0|1,0,1]=4 63 B10R0.71 CCCCCCCCCCBr 2457 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.71 CCCCCCCCCCI 3942 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.71 CCCCOCCOCCO 12838 [1,1,0,0,0,0|1,0,1]=4 66 B12R0.125 CC(C)(C)OC(=O)NCCCCN 25541 [0,2,0,0,0,0|2,0,0]=4 67 B12R0.125 CNCCCNC(=O)OC(C)(C)C 18721 [0,2,0,0,0,0|2,0,0]=4 68 B12R0.285 CCOC(=O)CNCC(=O)OCC 12454 [0,2,0,0,0,0|1,0,1]=4 69 B12R0.285 CCOC(=O)CSCC(=O)OCC 13927 [0,2,0,0,0,0|1,0,1]=4 70 B12R0.69 CCCC(=O)CC(=O)C(=O)OCC 34266 [0,2,0,0,0,0|0,0,2]=4 71 B12R0.69 CCOC(=O)C[C@H](N)C(=O)OCC 25011 [0,2,0,0,0,0|1,0,1]=4 72 B10R1.11 CCOC(=O)C1CC=CC1 20010 [1,0,0,1,0,0|0,0,2]=4 73 B10R1.11 CCOC(=O)C1CCCN1 15638 [1,0,0,1,0,0|1,0,0]=3 74 B10R1.11 CCOC(=O)C1CCCO1 7091 [1,0,0,1,0,0|1,0,0]=3 75 B10R1.11 CCOC(=O)C1CCNC1 14291 [1,0,0,1,0,0|1,0,0]=3 76 B10R1.11 CCOC(=O)C1CCNC1 18711 [1,0,0,1,0,0|1,0,0]=3 77 B10R1.11 CCOC(=O)C1CCNC1 20614 [1,0,0,1,0,0|1,0,0]=3 78 B10R1.11 CCOC(=O)[C@H]1CCCN1 45085 [1,0,0,1,0,0|1,0,0]=3 79 B10R1.29 CCCCN1CCCC1=O 9159 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.17 CCCCC1CCNCC1 2453 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.17 CCCCC1CCNCC1 2488 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.17 CCCCN1CCOCC1 16812 [1,0,0,1,0,0|1,0,1]=4 83 B10R1.17 CCOCC1CCCCN1 17612 [1,0,0,1,0,0|1,0,1]=4 84 B10R1.1 CCCC1CCC(=O)CC1 14023 [1,0,0,1,0,0|0,0,0]=2 85 B10R1.1 CCCN1CCC(=O)CC1 2038 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.15 COC(=O)C1=CCCCC1 11031 [1,0,0,1,0,0|0,0,2]=4 87 B10R1.15 COC(=O)C1CCCCC1 11146 [1,0,0,1,0,0|0,0,0]=2 88 B10R1.15 COC(=O)C1CCCCN1 9441 [1,0,0,1,0,0|1,0,0]=3 89 B10R1.15 COC(=O)C1CCCCO1 19541 [1,0,0,1,0,0|1,0,0]=3 90 B10R1.15 COC(=O)C1CCCNC1 11756 [1,0,0,1,0,0|1,0,0]=3 91 B10R1.15 COC(=O)C1CCNCC1 7745 [1,0,0,1,0,0|1,0,0]=3 92 B10R1.15 COC(=O)C1CCOCC1 9715 [1,0,0,1,0,0|1,0,0]=3 93 B10R1.15 COC(=O)N1CCNCC1 45137 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.15 COC(=O)[C@H]1CCCCN1 24184 [1,0,0,1,0,0|1,0,0]=3 95 B10R1.15 NCC(=O)N1CCCCC1 9268 [1,0,0,1,0,0|2,0,0]=4 96 B10R1.15 O=C(CCl)N1CCCCC1 8026 [1,0,0,1,0,0|2,0,0]=4 97 B10R1.149 COC(=O)C1CCCC1O 17158 [1,0,0,1,0,0|1,0,0]=3 98 B12R1.32 CCOC(=O)CC1CCCCC1 20245 [0,1,0,1,0,0|0,0,0]=2 99 B12R1.32 CCOC(=O)CC1CCCNC1 11387 [0,1,0,1,0,0|0,0,0]=2 100 B12R1.32 CCOC(=O)CC1CCCNC1 8013 [0,1,0,1,0,0|0,0,0]=2 101 B12R1.32 CCOC(=O)CC1CCNCC1 11435 [0,1,0,1,0,0|0,0,0]=2 102 B12R1.32 CCOC(=O)CC1CCNCC1 8015 [0,1,0,1,0,0|0,0,0]=2 103 B12R1.32 CCOC(=O)CC1CCOCC1 9731 [0,1,0,1,0,0|0,0,0]=2 104 B12R1.32 CCOC(=O)CC1COCCN1 17653 [0,1,0,1,0,0|1,0,0]=3 105 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 11396 [0,1,0,1,0,0|0,0,0]=2 106 B12R1.308 CCOC(=O)C1CCCCC1N 15632 [0,1,0,1,0,0|0,0,0]=2 107 B12R1.308 CCOC(=O)C1CCCCC1O 20254 [0,1,0,1,0,0|0,0,0]=2 108 B12R1.308 CCOC(=O)C1CCCCN1C 11770 [0,1,0,1,0,0|0,0,0]=2 109 B12R1.308 CCOC(=O)C1CCCNC1=O 20008 [0,1,0,1,0,0|1,0,1]=4 110 B12R1.308 CCOC(=O)C1CCNCC1=O 36023 [0,1,0,1,0,0|1,0,1]=4 111 B12R1.308 CCOC(=O)C1CNCCC1=O 30418 [0,1,0,1,0,0|1,0,1]=4 112 B12R1.318 CCOC(=O)CC1CCCC1=O 23864 [0,1,0,1,0,0|0,0,1]=3 113 B12R1.519 CCOC(=O)CC(=O)C1CCC1 27802 [0,1,0,1,0,0|0,0,1]=3 114 B12R1.1618 CCOC(=O)CC1(C)OCCO1 15736 [0,1,0,1,0,0|2,0,0]=4 115 B12R1.17 CCOC(=O)C1CCCN(C)C1 11774 [0,1,0,1,0,0|1,0,0]=3 116 B12R1.17 CCOC(=O)[C@@H]1CCCN(C)C1 19434 [0,1,0,1,0,0|1,0,0]=3 117 B12R1.30 O=C(NCCO)C1CCNCC1 7627 [0,1,0,1,0,0|2,0,0]=4 118 B12R1.555 CCOC(=O)C(N)CC1CCC1 22628 [0,1,0,1,0,0|0,0,0]=2 119 B12R1.1595 CCOC(=O)C1(C)CCCNC1 13325 [0,1,0,1,0,0|1,0,0]=3 120 B12R1.1595 CCOC(=O)C1(C)CCCNC1 22276 [0,1,0,1,0,0|1,0,0]=3 121 B12R1.1595 CCOC(=O)C1(C)CCNCC1 13324 [0,1,0,1,0,0|1,0,0]=3 122 B12R1.1595 CCOC(=O)C1(C)CCNCC1 16882 [0,1,0,1,0,0|1,0,0]=3 123 B12R1.1595 CCOC(=O)C1(F)CCNCC1 23021 [0,1,0,1,0,0|1,0,0]=3 124 B12R1.1595 CCOC(=O)C1(N)CCCCC1 15635 [0,1,0,1,0,0|0,0,0]=2 125 B12R1.1595 CCOC(=O)[C@]1(C)CCCNC1 27376 [0,1,0,1,0,0|1,0,0]=3 126 B12R1.16 CCOC(=O)C1CCC(=O)CC1 11068 [0,1,0,1,0,0|0,0,1]=3 127 B12R1.16 CCOC(=O)C1CCN(C)CC1 11773 [0,1,0,1,0,0|1,0,0]=3 128 B12R1.16 CCOC(=O)N1CCC(=O)CC1 2430 [0,1,0,1,0,0|1,0,1]=4 129 B12R1.16 CCOC(=O)N1CCC(N)CC1 2064 [0,1,0,1,0,0|1,0,0]=3 130 B12R1.16 CCOC(=O)N1CCC(O)CC1 7618 [0,1,0,1,0,0|1,0,0]=3 131 B12R2.8 O=C1NCCC12CCCNC2 34284 [0,0,0,2,0,0|2,0,0]=4 132 B12R2.8 O=C1OCCC12CCNCC2 20104 [0,0,0,2,0,0|1,0,0]=3 133 B12R2.2028 O=C1OC(=O)[C@@H]2CCCC[C@@H]12 8093 [0,0,0,2,0,0|1,0,1]=4 134 B12R2.2028 O=C1OC(=O)[C@H]2CCCC[C@H]12 8094 [0,0,0,2,0,0|1,0,1]=4 135 B12R2.24 O=C1CN[C@@H]2CCCC[C@H]2N1 27658 [0,0,0,2,0,0|2,0,0]=4 136 B12R2.24 O=C1CN[C@H]2CCCC[C@@H]2N1 27657 [0,0,0,2,0,0|2,0,0]=4