0 B10R0.71 NCCCCCCCCCO P42705 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.71 [N-]=[N+]=NCCCCCCCN P35662 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.71 [N-]=[N+]=NCCCCCCCO P37319 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.45 C#CCCCCCCCI Q66055 [1,0,0,0,0,0|1,0,2]=4 4 B9R0.45 COCCNCCCCO Q69506 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.45 NCCCCCCCCO P40196 [1,0,0,0,0,0|1,0,1]=3 6 B11R0.3 NCCCCCCCCCCO P39512 [0,1,0,0,0,0|0,0,2]=3 7 B11R0.3 [N-]=[N+]=NCCCCCCCCN P35661 [0,1,0,0,0,0|3,0,0]=4 8 B11R0.3 [N-]=[N+]=NCCCCCCCCN P41404 [0,1,0,0,0,0|3,0,0]=4 9 B11R0.3 [N-]=[N+]=NCCCCCCCCO P37318 [0,1,0,0,0,0|3,0,0]=4 10 B11R0.4 CCCCCCCN(C)CCO Q66065 [0,1,0,0,0,0|1,0,2]=4 11 B11R0.148 NCCOCCOCCC(=O)O P36036 [0,1,0,0,0,0|3,0,0]=4 12 B11R0.148 O=C(O)CCOCCOCCO P41642 [0,1,0,0,0,0|3,0,0]=4 13 B11R0.148 [N-]=[N+]=NCCCCCCC(=O)O P41527 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.4 NCCCCCN1CCCC1 P36467 [0,0,0,1,0,0|2,0,1]=4 15 B11R1.4 NCCCCCN1CCCC1 Q61772 [0,0,0,1,0,0|2,0,1]=4 16 B11R1.28 BrCCCCC1CCOCC1 Q61434 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.28 CCCCNC1CCCSC1 Q57936 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.28 CNCCCC1CCCCC1 P37923 [0,0,0,1,0,0|2,0,0]=3 19 B11R1.28 CNCCCC1CCCCC1 P40072 [0,0,0,1,0,0|2,0,0]=3 20 B11R1.28 NCCCCN1CCCCC1 P36333 [0,0,0,1,0,0|2,0,1]=4 21 B8R0.4 NCCCCCCCO P40165 [2,0,0,0,0,0|1,0,1]=4 22 B10R0.1 CCCCCCN(C)CCO Q66066 [1,1,0,0,0,0|1,0,1]=4 23 B10R0.4 CCCCCCCCB(O)O Q66526 [1,1,0,0,0,0|1,0,1]=4 24 B10R0.4 NCCCCCCCC(=O)O P43125 [1,1,0,0,0,0|1,0,0]=3 25 B12R0.1 CCCCCCCCN(C)CCO Q66067 [0,2,0,0,0,0|0,0,2]=4 26 B12R0.5 NCCCCCCCCCCCO P39114 [0,2,0,0,0,0|0,0,2]=4 27 B12R0.5 [N-]=[N+]=NCCCCCCCCCN P41355 [0,2,0,0,0,0|2,0,0]=4 28 B12R0.5 [N-]=[N+]=NCCCCCCCCCN P41356 [0,2,0,0,0,0|2,0,0]=4 29 B12R0.5 [N-]=[N+]=NCCCCCCCCCO P37317 [0,2,0,0,0,0|2,0,0]=4 30 B12R0.234 COCCOCCOCCC(=O)O P39838 [0,2,0,0,0,0|2,0,0]=4 31 B12R0.248 COC(=O)CCCCCCCCBr P36645 [0,2,0,0,0,0|1,0,0]=3 32 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O P41285 [0,2,0,0,0,0|0,0,2]=4 33 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O P42531 [0,2,0,0,0,0|0,0,2]=4 34 B12R0.251 CCCCCCCCC(N)C(=O)O P40474 [0,2,0,0,0,0|0,0,0]=2 35 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O P35862 [0,2,0,0,0,0|0,0,0]=2 36 B12R0.251 CCCCCCCC[C@H](N)C(=O)O P35861 [0,2,0,0,0,0|0,0,0]=2 37 B10R1.4 CCOC1CCCCC1N Q59678 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.4 CNCC1CCCCC1O Q59596 [1,0,0,1,0,0|1,0,1]=4 39 B10R1.4 O=C1CCCCN1CCO L19233 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.17 BrCCCC1CCCCC1 P38702 [1,0,0,1,0,0|1,0,0]=3 41 B10R1.17 BrCCCC1CCOCC1 Q61433 [1,0,0,1,0,0|2,0,0]=4 42 B10R1.17 CCCCC1CCNCC1 M23876 [1,0,0,1,0,0|1,0,1]=4 43 B10R1.17 CNCCC1CCCCC1 P34718 [1,0,0,1,0,0|1,0,1]=4 44 B10R1.17 CNCCC1CCCCC1 P35769 [1,0,0,1,0,0|1,0,1]=4 45 B10R1.17 ICCCC1CCCCC1 P41134 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.17 NCCCC1CCCCC1 P34722 [1,0,0,1,0,0|1,0,0]=3 47 B10R1.17 NCCCC1CCOCC1 Q57757 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.17 NCCCC1CCOCC1 Q57758 [1,0,0,1,0,0|2,0,0]=4 49 B10R1.17 NCCCN1CCCCC1 P39451 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.17 NNCCC1CCCCC1 Q59501 [1,0,0,1,0,0|2,0,0]=4 51 B10R1.17 O=CCCC1CCNCC1 Q53388 [1,0,0,1,0,0|1,0,0]=3 52 B10R1.17 O=CCCC1CCOCC1 Q57776 [1,0,0,1,0,0|1,0,0]=3 53 B10R1.17 OCCCC1CCCCC1 P42600 [1,0,0,1,0,0|0,0,1]=3 54 B10R1.17 OCCCC1CCNCC1 P36532 [1,0,0,1,0,0|1,0,1]=4 55 B10R1.17 OCCCC1CCOCC1 Q57775 [1,0,0,1,0,0|1,0,1]=4 56 B10R1.17 OCCCN1CCCCC1 Q55769 [1,0,0,1,0,0|1,0,1]=4 57 B10R1.20 CCC1CCCCC1CN Q59835 [1,0,0,1,0,0|1,0,0]=3 58 B10R1.20 COC1CCCCC1CO P40621 [1,0,0,1,0,0|1,0,1]=4 59 B10R1.20 COC1COCCC1C=O Q61466 [1,0,0,1,0,0|2,0,0]=4 60 B10R1.20 NCC1CCCCC1CF Q59508 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.21 CCCCCC1CCCN1 Q59373 [1,0,0,1,0,0|1,0,0]=3 62 B10R1.21 CCCCCC1CCCN1 Q59374 [1,0,0,1,0,0|1,0,0]=3 63 B10R1.21 CNCCCC1CCCC1 P40842 [1,0,0,1,0,0|1,0,1]=4 64 B10R1.21 CNCCCC1CCCC1 P42969 [1,0,0,1,0,0|1,0,1]=4 65 B10R1.21 OCCCOC1CCCC1 Q59134 [1,0,0,1,0,0|1,0,1]=4 66 B10R1.29 CCCC[C@@H]1CNC[C@H]1O Q62157 [1,0,0,1,0,0|1,0,1]=4 67 B10R1.85 N#CCC1CCCCCC1 P37516 [1,0,0,1,0,0|1,0,1]=4 68 B10R1.85 NCCC1CCCCCC1 P38052 [1,0,0,1,0,0|1,0,0]=3 69 B12R1.8 CCCCCNC1CCCSC1 Q57934 [0,1,0,1,0,0|2,0,0]=4 70 B12R1.8 CNCCCCN1CCCCC1 Q66153 [0,1,0,1,0,0|2,0,0]=4 71 B12R1.8 N#CCCCNC1CCCCC1 L21117 [0,1,0,1,0,0|1,0,1]=4 72 B12R1.8 NCCCCCN1CCCCC1 P36530 [0,1,0,1,0,0|1,0,1]=4 73 B12R1.8 OCCCNCC1CCCCC1 Q59630 [0,1,0,1,0,0|0,0,2]=4 74 B12R1.18 NCCCN1CCCCCC1=O L21024 [0,1,0,1,0,0|1,0,0]=3 75 B12R1.121 CCC1CCCCC1OCCO Q59796 [0,1,0,1,0,0|0,0,2]=4 76 B12R1.267 CC1CCCCC1NCCCO Q59627 [0,1,0,1,0,0|0,0,2]=4 77 B12R1.267 O=C1CCCCC1CNCCBr L20757 [0,1,0,1,0,0|1,0,0]=3 78 B12R1.308 CCOC(=O)C1CCCCC1=O P43404 [0,1,0,1,0,0|1,0,1]=4 79 B12R1.27 CCC(N)CCC1CCCCC1 Q59705 [0,1,0,1,0,0|1,0,1]=4 80 B12R1.371 COC(=O)CC1CCCCC1=O P48593 [0,1,0,1,0,0|1,0,1]=4 81 B12R1.125 C=C(C)CNC1CCCCC1C Q59666 [0,1,0,1,0,0|2,0,0]=4 82 B12R1.130 CN1CCCC1COCC(=O)O Q60895 [0,1,0,1,0,0|2,0,0]=4 83 B12R1.130 CN1CCC[C@H]1COCC(=O)O Q60802 [0,1,0,1,0,0|2,0,0]=4 84 B12R1.252 CC(=O)NCCC1CCCNC1 Q57546 [0,1,0,1,0,0|2,0,0]=4 85 B12R1.252 CC(C)CCCC1CCCCN1 L19983 [0,1,0,1,0,0|1,0,1]=4 86 B12R1.252 O=C(O)CCCN1CCOCC1 P37268 [0,1,0,1,0,0|2,0,0]=4 87 B12R1.252 O=C(O)CCCN1CCOCC1 P38345 [0,1,0,1,0,0|2,0,0]=4 88 B12R1.252 O=C(O)CCNC1CCNCC1 Q57557 [0,1,0,1,0,0|2,0,0]=4 89 B12R1.252 O=C(O)CCOC1CCOCC1 Q57634 [0,1,0,1,0,0|2,0,0]=4 90 B12R1.283 CCCC1OCCCC1C(=O)O Q57665 [0,1,0,1,0,0|1,0,0]=3 91 B12R2.2 C1CCC(C2CCCNC2)C1 L20901 [0,0,0,2,0,0|2,0,0]=4 92 B12R2.10 O=C1CCCN1C2CCNC2 Q59329 [0,0,0,2,0,0|2,0,0]=4 93 B12R2.229 O=C1CCNCC2CCCN12 F-4412 [0,0,0,2,0,0|2,0,0]=4 94 B12R2.4328 C1CCC2(CCCC2)CNC1 Q58089 [0,0,0,2,0,0|2,0,0]=4 95 B12R2.4328 C1CCCC2(CC1)CCCN2 Q59311 [0,0,0,2,0,0|1,0,1]=4 96 B12R2.4328 C1CCCC2(CC1)CCNC2 F-4559 [0,0,0,2,0,0|2,0,0]=4 97 B12R2.41 C1CCC2CCCCC2NC1 Q58090 [0,0,0,2,0,0|1,0,1]=4 98 B12R2.41 C1CCC2CCCCC2NC1 Q58091 [0,0,0,2,0,0|1,0,1]=4 99 B12R2.455 O=C1CNCC2CCCN1C2 P50013 [0,0,0,2,0,0|2,0,0]=4 100 B12R2.1019 O=C1NC2CCCC1CNC2 P44703 [0,0,0,2,0,0|2,0,0]=4 101 B12R2.24 O=C1CCC2NCCCC2N1 Q61229 [0,0,0,2,0,0|2,0,0]=4 102 B12R2.24 O=C1CCN2CCOCC2C1 Q52540 [0,0,0,2,0,0|2,0,0]=4 103 B12R2.24 O=C1CN2CCCCC2CN1 Q59920 [0,0,0,2,0,0|2,0,0]=4 104 B12R2.24 O=C1CNC2CCCCC2N1 Q58043 [0,0,0,2,0,0|2,0,0]=4 105 B12R2.1081 CC1CCCC2CCCNC12 Q59486 [0,0,0,2,0,0|2,0,0]=4 106 B12R2.1081 O=C1CCCN2CCCCC12 Q59929 [0,0,0,2,0,0|1,0,0]=3 107 B12R2.1081 O=C1CNCC2CCCCN12 F-4462 [0,0,0,2,0,0|2,0,0]=4 108 B12R2.82 CN1C(=O)CCC2CNCC21 Q61158 [0,0,0,2,0,0|2,0,0]=4 109 B12R2.8 O=C1COCC12CCNCC2 Q61351 [0,0,0,2,0,0|2,0,0]=4 110 B12R2.8 O=C1COCC12CCNCC2 Q61352 [0,0,0,2,0,0|2,0,0]=4 111 B12R2.8 O=C1NCCC12CCCNC2 Q61423 [0,0,0,2,0,0|2,0,0]=4 112 B12R2.8 O=C1NCCC12CCCNC2 Q61424 [0,0,0,2,0,0|2,0,0]=4 113 B12R2.8 O=C1NCCC12CCNCC2 L14677 [0,0,0,2,0,0|2,0,0]=4 114 B12R2.8 O=C1NCCC12CCOCC2 Q54623 [0,0,0,2,0,0|2,0,0]=4 115 B12R2.4370 C1CCC2(CC1)CCCNC2 F-4561 [0,0,0,2,0,0|2,0,0]=4 116 B12R2.4370 C1CCC2(CC1)CCCNC2 Q52288 [0,0,0,2,0,0|2,0,0]=4 117 B12R2.18 [C@@H]12CCNC[C@@H]1C(=O)N(C)C2 G-5030 [0,0,0,2,0,0|2,0,0]=4 118 B12R2.18 [C@H]12CCNC[C@H]1C(=O)N(C)C2 Q56333 [0,0,0,2,0,0|2,0,0]=4 119 B12R2.1083 C[C@@]12CCCN1CCNC2=O Q63867 [0,0,0,2,0,0|2,0,0]=4 120 B12R2.1083 C[C@]12CCCN1CCNC2=O Q63868 [0,0,0,2,0,0|2,0,0]=4 121 B12R2.96 O=C1CCCC12CCCC2=O P45840 [0,0,0,2,0,0|1,0,1]=4