0 B10R1.15 C=CC(=O)N1CCOCC1 31999 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 COC(=O)C1=CCCCC1 11031 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.15 COC(=O)C1CCCCC1 11146 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.15 COC(=O)C1CCCCN1 9441 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.15 COC(=O)C1CCCCO1 19541 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.15 COC(=O)C1CCCNC1 11756 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.15 COC(=O)C1CCNCC1 7745 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.15 COC(=O)C1CCOCC1 9715 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.15 COC(=O)N1CCNCC1 45137 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 COC(=O)[C@H]1CCCCN1 24184 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 N#C[C@@H](O)C1CCCCC1 17484 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.15 N#C[C@H](O)C1CCCCC1 17482 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.15 NCC(=O)N1CCCCC1 9268 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.15 O=C(CCl)N1CCCCC1 8026 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 CC(=O)C1CCNCC1 23348 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 CC(=O)C1CCOCC1 23581 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.6 CC(=O)N1CCCCC1 7729 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.6 CC(=O)N1CCNCC1 8565 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 CC(=O)N1CCOCC1 35160 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.6 CN(C)C1CCCNC1 6751 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.6 CN(C)C1CCNCC1 19773 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.6 CN(C)C1CCNCC1 6749 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.6 CN(C)C1CCOCC1 26061 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.6 NC(=O)C1CCCCN1 11795 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 NC(=O)C1CCCNC1 11797 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 NC(=O)C1CCNCC1 9754 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.6 NC(=O)C1CCOCC1 9735 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.6 O=C(Cl)C1CCCCC1 35229 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.6 O=C(Cl)C1CCOCC1 12437 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 O=C(Cl)N1CCOCC1 36111 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.6 O=C(O)C1=CCCCO1 19588 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.6 O=C(O)C1CC=CCC1 11032 [1,0,0,0,0,0|0,0,2]=3 32 B9R1.6 O=C(O)C1CCCCC1 10570 [1,0,0,0,0,0|0,0,0]=1 33 B9R1.6 O=C(O)C1CCCCN1 7628 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.6 O=C(O)C1CCCCN1 7717 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.6 O=C(O)C1CCCCO1 19589 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.6 O=C(O)C1CCCNC1 6793 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.6 O=C(O)C1CCCOC1 19540 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.6 O=C(O)C1CCNCC1 7718 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.6 O=C(O)C1CCOCC1 9730 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.6 O=C(O)C1CNCCN1 8582 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.6 O=C(O)C1CSCCN1 11027 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 O=C(O)N1CCCCC1 6791 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.6 O=C(O)[C@@H]1CC=CCC1 24718 [1,0,0,0,0,0|0,0,2]=3 44 B9R1.6 O=C(O)[C@@H]1CC=CCN1 22632 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.6 O=C(O)[C@@H]1CC=CCN1 22633 [1,0,0,0,0,0|1,0,2]=4 46 B9R1.6 O=C(O)[C@@H]1CCCCN1 5567 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.6 O=C(O)[C@@H]1CCCNC1 5658 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.6 O=C(O)[C@@H]1CNCCN1 13115 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 O=C(O)[C@@H]1CNCCN1 15229 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 O=C(O)[C@H]1CCCCN1 5635 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.6 O=C(O)[C@H]1CCCNC1 5657 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.6 O=C(O)[C@H]1CNCCN1 13117 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 O=C(O)[C@H]1CNCCN1 6078 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.6 O=C(O)[C@H]1COCCN1 27275 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 OB(O)C1CCCCC1 6024 [1,0,0,0,0,0|1,0,1]=3 56 B9R1.8 CCCC1CCNCC1 2452 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 CCCC1CCNCC1 2489 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.8 CCC[C@@H]1CCCCN1 15600 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 CCC[C@H]1CCCCN1 15602 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 CCOC1CCCNC1 31884 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.8 CCOC1CCNCC1 9355 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.8 COCC1CCCCN1 17613 [1,0,0,0,0,0|1,0,1]=3 63 B9R1.8 N#CCC1CCCCC1 31720 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.16 CCOC(=O)C1CCCCC1 36040 [0,1,0,0,0,0|0,0,0]=1 65 B11R1.16 CCOC(=O)C1CCCCN1 17507 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.16 CCOC(=O)C1CCCCN1 7720 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.16 CCOC(=O)C1CCCNC1 7719 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.16 CCOC(=O)C1CCNCC1 26169 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.16 CCOC(=O)C1CCNCC1 7219 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.16 CCOC(=O)C1CNCCO1 32242 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.16 CCOC(=O)C1SCCCS1 22055 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.16 CCOC(=O)N1CCNCC1 15287 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 23481 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 11757 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 16883 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 5874 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.16 CCOC(=O)[C@H]1CCCNC1 11758 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.16 CCOC(=O)[C@H]1CCCNC1 11760 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.16 CNCC(=O)N1CCCCC1 8029 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.22 COC(=O)C1CCC(=O)CC1 14010 [0,1,0,0,0,0|0,0,1]=2 81 B11R1.22 COC(=O)C1CCC(O)CC1 18773 [0,1,0,0,0,0|0,0,0]=1 82 B11R1.22 COC(=O)C1CCN(C)CC1 11772 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 31722 [0,1,0,0,0,0|0,0,0]=1 84 B11R1.23 COC(=O)C1=CCCN(C)C1 36060 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.23 COC(=O)C1CCCN(C)C1 11771 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.23 COC(=O)C1CCNC(=O)C1 26662 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 31810 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 31809 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 31811 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.36 CN(C)C(=O)C1CCCNC1 33699 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.222 COC(=O)C1CNCCC1=O 12958 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.222 COC(=O)C1CNCCC1=O 30448 [0,1,0,0,0,0|1,0,1]=3 93 B11R1.222 COC(=O)[C@H]1COCC[C@H]1N 19309 [0,1,0,0,0,0|1,0,0]=2 94 B9R0.8 COC(=O)[C@@H](N)CCCN 18996 [0,0,1,0,0,0|2,0,0]=3 95 B9R0.8 COC(=O)[C@@H](N)CCSC 14925 [0,0,1,0,0,0|2,0,0]=3 96 B9R0.46 COC(=O)CCCCCBr 16910 [0,0,1,0,0,0|1,0,0]=2 97 B11R2.1 O=C1CCC2CNCCN12 16147 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.11 COC(=O)C1=CCCC1 2487 [0,0,0,0,1,0|0,0,2]=3 99 B9R1.11 COC(=O)C1CCCO1 2380 [0,0,0,0,1,0|1,0,0]=2 100 B9R1.11 COC(=O)C1CCNC1 18897 [0,0,0,0,1,0|1,0,0]=2 101 B9R1.11 COC(=O)[C@@H]1CCCN1 10887 [0,0,0,0,1,0|1,0,0]=2 102 B9R1.11 COC(=O)[C@@H]1CCNC1 20164 [0,0,0,0,1,0|1,0,0]=2 103 B9R1.11 COC(=O)[C@H]1CCCN1 10888 [0,0,0,0,1,0|1,0,0]=2 104 B9R1.11 NCC(=O)N1CCCC1 26419 [0,0,0,0,1,0|3,0,0]=4 105 B11R1.40 COC(=O)CC1CCCCC1 20243 [0,0,0,0,0,1|0,0,0]=1 106 B11R1.40 COC(=O)CC1CCCNC1 11376 [0,0,0,0,0,1|1,0,0]=2 107 B11R1.40 COC(=O)CC1CCNCC1 14078 [0,0,0,0,0,1|1,0,0]=2 108 B11R1.40 COC(=O)CC1CCNCC1 14079 [0,0,0,0,0,1|1,0,0]=2 109 B11R1.40 COC(=O)CC1COCCN1 24086 [0,0,0,0,0,1|2,0,0]=3 110 B11R1.40 COC(=O)C[C@@H]1CCCNC1 11381 [0,0,0,0,0,1|1,0,0]=2 111 B11R1.40 COC(=O)C[C@@H]1COCCN1 17872 [0,0,0,0,0,1|2,0,0]=3 112 B11R1.40 COC(=O)C[C@H]1CCCNC1 11385 [0,0,0,0,0,1|1,0,0]=2 113 B8R0.3 CCC[C@H](N)C(=O)OC 10951 [1,0,1,0,0,0|1,0,0]=3 114 B8R0.6 CCCSCC(=O)OC 28955 [1,0,1,0,0,0|1,0,0]=3 115 B8R0.6 COC(=O)CCCCN 31883 [1,0,1,0,0,0|1,0,0]=3 116 B8R0.8 CCCC[C@@H](N)C(=O)O 27353 [1,0,1,0,0,0|1,0,0]=3 117 B8R0.8 CCCC[C@H](N)C(=O)O 21410 [1,0,1,0,0,0|1,0,0]=3 118 B8R0.8 CSCCC(N)C(=O)O 20205 [1,0,1,0,0,0|2,0,0]=4 119 B8R0.8 CSCC[C@H](N)C(=O)O 14349 [1,0,1,0,0,0|2,0,0]=4 120 B8R0.8 CSCC[C@H](N)C(=O)O 18503 [1,0,1,0,0,0|2,0,0]=4 121 B8R0.8 C[Se]CC[C@H](N)C(=O)O 13834 [1,0,1,0,0,0|2,0,0]=4 122 B8R0.8 NCCCC(N)C(=O)O 36401 [1,0,1,0,0,0|2,0,0]=4 123 B8R0.8 NCCC[C@@H](N)C(=O)O 12441 [1,0,1,0,0,0|2,0,0]=4 124 B8R0.8 NCCC[C@H](N)C(=O)O 13024 [1,0,1,0,0,0|2,0,0]=4 125 B8R0.8 NCCC[C@H](N)C(=O)O 21979 [1,0,1,0,0,0|2,0,0]=4 126 B8R0.7 CC(=O)OCCCCCl 13100 [1,0,1,0,0,0|2,0,0]=4 127 B8R0.7 CCCCCCB(O)O 29486 [1,0,1,0,0,0|1,0,1]=4 128 B8R0.7 CCCCCCC(C)=O 26418 [1,0,1,0,0,0|0,0,0]=2 129 B8R0.7 CCCCCCC(C)O 21480 [1,0,1,0,0,0|0,0,2]=4 130 B8R0.7 CCCCCC[C@@H](C)N 6754 [1,0,1,0,0,0|1,0,1]=4 131 B8R0.7 CCCCCC[C@@H](C)O 6072 [1,0,1,0,0,0|0,0,2]=4 132 B8R0.7 CCCCCC[C@H](C)N 6748 [1,0,1,0,0,0|1,0,1]=4 133 B8R0.7 CCCCCC[C@H](C)O 17259 [1,0,1,0,0,0|0,0,2]=4 134 B8R0.7 CCCCCC[C@H](C)O 6073 [1,0,1,0,0,0|0,0,2]=4 135 B8R0.7 COCCOCC(=O)O 31986 [1,0,1,0,0,0|2,0,0]=4 136 B8R0.7 NCCCCCC(=O)O 35821 [1,0,1,0,0,0|1,0,0]=3 137 B8R0.7 O=C(O)CCCCCBr 3777 [1,0,1,0,0,0|1,0,0]=3 138 B8R1.2 BrCC1CCCCC1 3103 [2,0,0,0,0,0|1,0,1]=4 139 B8R1.2 CCC1CCCCN1 6758 [2,0,0,0,0,0|1,0,1]=4 140 B8R1.2 CCN1CCCCC1 7713 [2,0,0,0,0,0|1,0,1]=4 141 B8R1.2 CC[C@@H]1CCCCN1 15599 [2,0,0,0,0,0|1,0,1]=4 142 B8R1.2 CC[C@H]1CCCCN1 15598 [2,0,0,0,0,0|1,0,1]=4 143 B8R1.2 CNC1CCCNC1 6874 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.2 CNC1CCOCC1 17652 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.2 COC1CCNCC1 8024 [2,0,0,0,0,0|1,0,0]=3 146 B8R1.2 ClCC1CCCCC1 9647 [2,0,0,0,0,0|1,0,1]=4 147 B8R1.2 NCC1CCCCC1 20540 [2,0,0,0,0,0|1,0,1]=4 148 B8R1.2 NNC1CCCCC1 24152 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.2 NNC1CCCCC1 33541 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.2 NNC1CCCCC1 33542 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.2 NOC1CCCCO1 13867 [2,0,0,0,0,0|2,0,0]=4 152 B8R1.2 O=CC1CCCCC1 3082 [2,0,0,0,0,0|0,0,0]=2 153 B8R1.2 O=CC1CCCCN1 18309 [2,0,0,0,0,0|1,0,0]=3 154 B8R1.2 O=CC1CCCCN1 6773 [2,0,0,0,0,0|1,0,0]=3 155 B8R1.2 O=CC1CCCOC1 23588 [2,0,0,0,0,0|1,0,0]=3 156 B8R1.2 O=CC1CCNCC1 20422 [2,0,0,0,0,0|1,0,0]=3 157 B8R1.2 O=CC1CCNCC1 6774 [2,0,0,0,0,0|1,0,0]=3 158 B8R1.2 O=CC1CCOCC1 9736 [2,0,0,0,0,0|1,0,0]=3 159 B8R1.2 O=CN1CCCCC1 7728 [2,0,0,0,0,0|1,0,0]=3 160 B8R1.2 O=CN1CCNCC1 20982 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.2 O=CN1CCOCC1 15134 [2,0,0,0,0,0|2,0,0]=4 162 B8R1.2 OCC1CCCCC1 3098 [2,0,0,0,0,0|0,0,1]=3 163 B8R1.2 OCC1CCCCN1 6779 [2,0,0,0,0,0|1,0,1]=4 164 B8R1.2 OCC1CCCCO1 9734 [2,0,0,0,0,0|1,0,1]=4 165 B8R1.2 OCC1CCCNC1 6775 [2,0,0,0,0,0|1,0,1]=4 166 B8R1.2 OCC1CCCOC1 35472 [2,0,0,0,0,0|1,0,1]=4 167 B8R1.2 OCC1CCCOC1 35472 [2,0,0,0,0,0|1,0,1]=4 168 B8R1.2 OCC1CCNCC1 6777 [2,0,0,0,0,0|1,0,1]=4 169 B8R1.2 OCC1CCNCC1 6819 [2,0,0,0,0,0|1,0,1]=4 170 B8R1.2 OCC1CCOCC1 7872 [2,0,0,0,0,0|1,0,1]=4 171 B8R1.2 OC[C@@H]1CCCNC1 16103 [2,0,0,0,0,0|1,0,1]=4 172 B8R1.2 OC[C@H]1CCCNC1 16102 [2,0,0,0,0,0|1,0,1]=4 173 B8R1.2 [C-]#[N+]C1CCCCC1 20479 [2,0,0,0,0,0|1,0,1]=4 174 B10R0.19 CCCCC(=O)C(=O)OCC 18138 [0,1,1,0,0,0|1,0,1]=4 175 B10R0.19 CCOC(=O)[C@@H](N)CCSC 14924 [0,1,1,0,0,0|2,0,0]=4 176 B10R0.83 COC(=O)[C@@H](N)CCCCN 18979 [0,1,1,0,0,0|1,0,0]=3 177 B10R0.51 CCC(=O)C(CC)C(=O)OC 26272 [0,1,1,0,0,0|0,0,1]=3 178 B10R0.54 CC[C@@H](NC(C)C)C(=O)OC 31751 [0,1,1,0,0,0|1,0,0]=3 179 B10R0.1 CCOC(=O)CCCCCBr 3953 [0,1,1,0,0,0|1,0,0]=3 180 B10R0.74 CCCCCC#CC(=O)OC 45055 [0,1,1,0,0,0|0,0,1]=3 181 B10R1.13 CC(=O)N1CCC(=O)CC1 19615 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.13 CC(=O)N1CCC(N)CC1 23358 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.13 CN1CCC(C(=O)O)CC1 7222 [1,1,0,0,0,0|1,0,0]=3 184 B10R1.13 CN1CCC(C(=O)O)CC1 8007 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 2493 [1,1,0,0,0,0|0,0,0]=2 186 B10R1.13 NC(=O)C1CCC(=O)CC1 26304 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.13 NC1CCC(C(=O)O)CC1 23274 [1,1,0,0,0,0|0,0,0]=2 188 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 21310 [1,1,0,0,0,0|0,0,0]=2 189 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 14085 [1,1,0,0,0,0|0,0,0]=2 190 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 4022 [1,1,0,0,0,0|0,0,0]=2 191 B10R1.13 O=C1CCC(C(=O)O)CC1 12606 [1,1,0,0,0,0|0,0,1]=3 192 B10R1.28 CS(=O)(=O)C1CCNCC1 34174 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.61 CC(=O)N1CCCCC1=O 23360 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.61 CN1CCCCC1C(=O)O 8006 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.61 NC1=C(C(=O)O)CCCC1 19544 [1,1,0,0,0,0|0,0,2]=4 196 B10R1.113 CN1CCCC(C(=O)O)C1 8008 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 35803 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 21565 [1,1,0,0,0,0|0,0,0]=2 199 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 21587 [1,1,0,0,0,0|0,0,0]=2 200 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 21566 [1,1,0,0,0,0|0,0,0]=2 201 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 20831 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 16279 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.113 O=C1CCCC(C(=O)O)N1 23449 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 23450 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.363 CC(C)C1(O)CCCCC1 20241 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.363 NC1(C(=O)O)CCCCC1 13882 [1,1,0,0,0,0|0,0,0]=2 207 B10R1.363 NC1(C(=O)O)CCCNC1 24365 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.363 NC1(C(=O)O)CCCNC1 24366 [1,1,0,0,0,0|1,0,0]=3 209 B10R1.363 NC1(C(=O)O)CCCOC1 24400 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.363 NC1(C(=O)O)CCNCC1 4003 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.363 NC1(C(=O)O)CCOCC1 24396 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.363 NC1(C(=O)O)CCOCC1 24397 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.363 N[C@]1(C(=O)O)CCCOC1 24401 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.17 CCOCC1CCCCN1 17612 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.17 COCCC1CCCCN1 23951 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.377 CCCC1(O)CCCCC1 20383 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.11 CCOC(=O)C1CC=CC1 20010 [0,1,0,0,1,0|0,0,2]=4 218 B10R1.11 CCOC(=O)C1CCCN1 15638 [0,1,0,0,1,0|1,0,0]=3 219 B10R1.11 CCOC(=O)C1CCCO1 7091 [0,1,0,0,1,0|1,0,0]=3 220 B10R1.11 CCOC(=O)C1CCNC1 14291 [0,1,0,0,1,0|1,0,0]=3 221 B10R1.11 CCOC(=O)C1CCNC1 18711 [0,1,0,0,1,0|1,0,0]=3 222 B10R1.11 CCOC(=O)C1CCNC1 20614 [0,1,0,0,1,0|1,0,0]=3 223 B10R1.11 CCOC(=O)[C@H]1CCCN1 45085 [0,1,0,0,1,0|1,0,0]=3 224 B10R1.14 COC(=O)C1CCC(=O)C1 15798 [0,1,0,0,1,0|0,0,1]=3 225 B10R1.14 COC(=O)C1CNC(=O)C1 35685 [0,1,0,0,1,0|1,0,1]=4 226 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 10949 [0,1,0,0,1,0|1,0,1]=4 227 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 14917 [0,1,0,0,1,0|1,0,0]=3 228 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 35210 [0,1,0,0,1,0|1,0,1]=4 229 B10R1.23 C[C@H](O)C(=O)N1CCCC1 32044 [0,1,0,0,1,0|2,0,0]=4 230 B10R1.149 COC(=O)C1CCCC1O 17158 [0,1,0,0,1,0|0,0,0]=2 231 B10R1.149 COC(=O)C1CSCC1=O 15771 [0,1,0,0,1,0|1,0,1]=4 232 B10R1.411 COC(=O)C1(N)CCCC1 13876 [0,1,0,0,1,0|0,0,0]=2 233 B12R1.32 CCOC(=O)CC1CCCCC1 20245 [0,1,0,0,0,1|0,0,0]=2 234 B12R1.32 CCOC(=O)CC1CCCNC1 11387 [0,1,0,0,0,1|1,0,0]=3 235 B12R1.32 CCOC(=O)CC1CCCNC1 8013 [0,1,0,0,0,1|1,0,0]=3 236 B12R1.32 CCOC(=O)CC1CCNCC1 11435 [0,1,0,0,0,1|1,0,0]=3 237 B12R1.32 CCOC(=O)CC1CCNCC1 8015 [0,1,0,0,0,1|1,0,0]=3 238 B12R1.32 CCOC(=O)CC1CCOCC1 9731 [0,1,0,0,0,1|1,0,0]=3 239 B12R1.32 CCOC(=O)CC1COCCN1 17653 [0,1,0,0,0,1|2,0,0]=4 240 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 11396 [0,1,0,0,0,1|1,0,0]=3 241 B12R1.118 COC(OC)[SiH2]C1CCCCC1 35609 [0,1,0,0,0,1|0,0,2]=4 242 B12R1.16 CCOC(=O)C1CCC(=O)CC1 11068 [0,2,0,0,0,0|0,0,1]=3 243 B12R1.16 CCOC(=O)C1CCN(C)CC1 11773 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.16 CCOC(=O)N1CCC(=O)CC1 2430 [0,2,0,0,0,0|1,0,1]=4 245 B12R1.16 CCOC(=O)N1CCC(N)CC1 2064 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.16 CCOC(=O)N1CCC(O)CC1 7618 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.17 CCOC(=O)C1CCCN(C)C1 11774 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.17 CCOC(=O)[C@@H]1CCCN(C)C1 19434 [0,2,0,0,0,0|1,0,0]=3 249 B12R1.30 O=C(NCCO)C1CCNCC1 7627 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.308 CCOC(=O)C1CCCCC1N 15632 [0,2,0,0,0,0|0,0,0]=2 251 B12R1.308 CCOC(=O)C1CCCCC1O 20254 [0,2,0,0,0,0|0,0,0]=2 252 B12R1.308 CCOC(=O)C1CCCCN1C 11770 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.308 CCOC(=O)C1CCCNC1=O 20008 [0,2,0,0,0,0|1,0,1]=4 254 B12R1.308 CCOC(=O)C1CCNCC1=O 36023 [0,2,0,0,0,0|1,0,1]=4 255 B12R1.308 CCOC(=O)C1CNCCC1=O 30418 [0,2,0,0,0,0|1,0,1]=4 256 B12R1.1595 CCOC(=O)C1(C)CCCNC1 13325 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.1595 CCOC(=O)C1(C)CCCNC1 22276 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.1595 CCOC(=O)C1(C)CCNCC1 13324 [0,2,0,0,0,0|1,0,0]=3 259 B12R1.1595 CCOC(=O)C1(C)CCNCC1 16882 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.1595 CCOC(=O)C1(F)CCNCC1 23021 [0,2,0,0,0,0|1,0,0]=3 261 B12R1.1595 CCOC(=O)C1(N)CCCCC1 15635 [0,2,0,0,0,0|0,0,0]=2 262 B12R1.1595 CCOC(=O)[C@]1(C)CCCNC1 27376 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.5 COC(=O)C1CCC(C=O)CC1 29314 [0,2,0,0,0,0|0,0,0]=2 264 B12R1.5 COC(=O)[C@H]1CC[C@H](CN)CC1 30406 [0,2,0,0,0,0|0,0,0]=2 265 B12R1.124 CC(C)C(=O)C1CCCCC1=O 12112 [0,2,0,0,0,0|1,0,1]=4 266 B12R1.3454 COC(=O)C1(CN)CCOCC1 27379 [0,2,0,0,0,0|1,0,0]=3 267 B10R1.7 NC1CCCCCNC1=O 14099 [0,0,1,1,0,0|2,0,0]=4 268 B10R1.29 CCCCN1CCCC1=O 9159 [0,0,1,1,0,0|2,0,0]=4 269 B10R2.62 O=C1CN2CCC1CC2 19166 [1,0,0,1,0,0|1,0,0]=3 270 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 23350 [1,0,0,1,0,0|1,0,1]=4 271 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 9989 [1,0,0,1,0,0|1,0,1]=4 272 B10R2.484 C1CC2(CCN1)COC2 19728 [1,0,0,1,0,0|1,0,1]=4 273 B12R2.24 O=C1CN[C@@H]2CCCC[C@H]2N1 27658 [0,0,0,1,0,1|2,0,0]=4 274 B12R2.24 O=C1CN[C@H]2CCCC[C@@H]2N1 27657 [0,0,0,1,0,1|2,0,0]=4 275 B12R2.2918 O=C1CC2(CCCCC2)CN1 15198 [0,0,0,1,0,1|1,0,0]=3 276 B12R2.2918 O=C1CC2(CCCCC2)CN1 20713 [0,0,0,1,0,1|1,0,0]=3 277 B12R2.2918 O=C1CC2(CCNCC2)CN1 21045 [0,0,0,1,0,1|2,0,0]=4 278 B12R2.2918 O=C1CC2(CCNCC2)CN1 25393 [0,0,0,1,0,1|2,0,0]=4 279 B12R2.1585 COC(=O)C1CCC2OC2C1 21984 [0,0,0,1,0,1|0,0,0]=2 280 B12R2.8 O=C1NCCC12CCCNC2 34284 [0,1,0,1,0,0|2,0,0]=4 281 B12R2.8 O=C1OCCC12CCNCC2 20104 [0,1,0,1,0,0|1,0,0]=3 282 B12R2.13 O=C1CC(=O)C12CCCCC2 26270 [0,1,0,1,0,0|1,0,1]=4 283 B12R2.2028 O=C1NC(=O)C2CCCCC12 19557 [0,1,0,1,0,0|1,0,1]=4 284 B12R2.2028 O=C1OC(=O)[C@@H]2CCCC[C@@H]12 8093 [0,1,0,1,0,0|0,0,1]=3 285 B12R2.2028 O=C1OC(=O)[C@H]2CCCC[C@H]12 8094 [0,1,0,1,0,0|0,0,1]=3 286 B12R2.1596 COC(=O)C1CC2C=CC1C2 21640 [0,1,0,1,0,0|0,0,2]=4 287 B8R1.7 CC(=O)C1CCCC1 16480 [1,0,0,0,1,0|0,0,0]=2 288 B8R1.7 NC(=O)[C@@H]1CCCN1 13020 [1,0,0,0,1,0|2,0,0]=4 289 B8R1.7 NC(=O)[C@@H]1CCCN1 5667 [1,0,0,0,1,0|2,0,0]=4 290 B8R1.7 NC(=O)[C@H]1CCCN1 10997 [1,0,0,0,1,0|2,0,0]=4 291 B8R1.7 O=C(Cl)C1CCCC1 13237 [1,0,0,0,1,0|1,0,0]=3 292 B8R1.7 O=C(Cl)C1CCOC1 30317 [1,0,0,0,1,0|2,0,0]=4 293 B8R1.7 O=C(O)C1CCCC1 14153 [1,0,0,0,1,0|0,0,0]=2 294 B8R1.7 O=C(O)C1CCCN1 20613 [1,0,0,0,1,0|1,0,0]=3 295 B8R1.7 O=C(O)C1CCCO1 7088 [1,0,0,0,1,0|1,0,0]=3 296 B8R1.7 O=C(O)C1CCNC1 10439 [1,0,0,0,1,0|1,0,0]=3 297 B8R1.7 O=C(O)C1CCNC1 16223 [1,0,0,0,1,0|1,0,0]=3 298 B8R1.7 O=C(O)C1CCOC1 22077 [1,0,0,0,1,0|1,0,0]=3 299 B8R1.7 O=C(O)[C@@H]1CCCO1 5795 [1,0,0,0,1,0|1,0,0]=3 300 B8R1.7 O=C(O)[C@@H]1CCNC1 11127 [1,0,0,0,1,0|1,0,0]=3 301 B8R1.7 O=C(O)[C@@H]1CCNC1 15979 [1,0,0,0,1,0|1,0,0]=3 302 B8R1.7 O=C(O)[C@@H]1COCN1 16415 [1,0,0,0,1,0|2,0,0]=4 303 B8R1.7 O=C(O)[C@@H]1CSCN1 8297 [1,0,0,0,1,0|2,0,0]=4 304 B8R1.7 O=C(O)[C@H]1CCCN1 10979 [1,0,0,0,1,0|1,0,0]=3 305 B8R1.7 O=C(O)[C@H]1CCCO1 5796 [1,0,0,0,1,0|1,0,0]=3 306 B8R1.7 O=C(O)[C@H]1CCNC1 11126 [1,0,0,0,1,0|1,0,0]=3 307 B8R1.7 O=C(O)[C@H]1CCNC1 15978 [1,0,0,0,1,0|1,0,0]=3 308 B8R1.7 OB(O)C1CCCC1 7792 [1,0,0,0,1,0|1,0,1]=4 309 B8R1.8 COCC1CCCN1 23933 [1,0,0,0,1,0|1,0,1]=4 310 B8R1.8 COC[C@@H]1CCCN1 18171 [1,0,0,0,1,0|1,0,1]=4 311 B8R1.8 COC[C@H]1CCCN1 8186 [1,0,0,0,1,0|1,0,1]=4 312 B8R1.38 COC(=O)C1CCC1 23839 [0,0,0,0,2,0|0,0,0]=2 313 B8R1.38 COC(=O)C1CCN1 23978 [0,0,0,0,2,0|1,0,0]=3 314 B8R1.38 COC(=O)C1CNC1 18800 [0,0,0,0,2,0|1,0,0]=3 315 B8R1.38 COC(=O)C1CNC1 23516 [0,0,0,0,2,0|1,0,0]=3