0 B7R0.3 COC(=O)CCC=C AB16906 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.3 COC(=O)CCCO AB65249 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 CCCC(=N)NN AB56218 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.1 CCNC(=O)C=C CB10170 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.1 CCOC(=O)C#N PB24520 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 CNC(=O)CC#N AB03253 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 COC(=N)CCCl AB61008 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 COC(=O)CC#C AB11822 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.1 COC(=O)\C=C\N AB31601 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.4 C#CCCC(=O)O CB10019 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.4 CC(=O)\C=C\OC AB00959 [1,0,0,0,0,0|0,1,2]=4 11 B6R0.6 COCCCON MB19791 [1,0,0,0,0,0|1,1,1]=4 12 B8R0.1 CCOC(=O)CN=C=O AB00195 [0,1,0,0,0,0|3,0,0]=4 13 B8R1.1 C1C(CNC1=O)CN PB10686 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.1 C1C(CNC1=O)CO PB26709 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.1 C1[C@H](COC1=O)CF MB19704 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.2 COC1=CCOCC1 PB24535 [0,0,0,1,0,0|1,1,0]=3 20 B8R1.2 COC1CCNCC1 PB10390 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.2 COC1CCNCC1 PB34075 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.3 C1CC(=O)CCC1N AB26267 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.3 C1CC(=O)NCC1N PB22229 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.3 CC1CNC(=O)CN1 AB37204 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.3 CN1CCC(=CC1)I AB70135 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.5 C1CNCC(C1=O)F PB20587 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.5 C1COCC(C1=O)Br PB18064 [0,0,0,1,0,0|2,1,0]=4 32 B8R1.5 C1COCC(C1=O)F PB28362 [0,0,0,1,0,0|2,1,0]=4 33 B8R1.5 CC1CCNCC1=O PB36769 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.5 CC1CNCCC1=O PB23474 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.5 CC1COCCC1=O PB26907 [0,0,0,1,0,0|1,1,0]=3 36 B8R1.5 CN1CCNCC1=O PB24934 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,0,0,1,0,0|1,1,0]=3 39 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.22 C1CNCCNC1=O AB07054 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.38 C1CC(C1)C(=O)NN PB29240 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.38 COC(=O)C1CCN1 MB03946 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.38 COC(=O)C1CNC1 CB11044 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.38 COC(=O)C1CNC1 PB17252 [0,0,0,1,0,0|1,0,0]=2 45 B8R1.38 COC(=O)[C@@H]1CCN1 PB15881 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.38 COC(=O)[C@H]1CCN1 PB33618 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.40 COC(=O)CC1CC1 PB20704 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.83 COC(=O)[C@H]1C[C@@H]1N AB77059 [0,0,0,1,0,0|2,0,0]=3 49 B5R0.1 B(CCC)(O)O AB08045 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.1 C#CCC(=O)O AB11673 [2,0,0,0,0,0|0,0,2]=4 51 B5R0.2 COCCON MB08235 [2,0,0,0,0,0|1,1,0]=4 52 B5R0.3 CCC(=O)C=O AB21438 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.3 CCC(=O)NN PB26058 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.3 COC(=O)CN AB01112 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.2 C\C(=C/C(=O)OC)\N AB00926 [1,1,0,0,0,0|0,0,2]=4 56 B7R0.7 CCOC(=O)C#CC AB01182 [1,1,0,0,0,0|0,0,2]=4 57 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.7 COCC(=O)CC#N AB63823 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.10 CCC(C(=O)OC)N AB16757 [1,1,0,0,0,0|0,0,0]=2 60 B7R0.6 CC(=O)CNC(=O)C AB02398 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.6 CC(=O)NCC(=O)O AB00351 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.5 CCOC(=O)CCN=C=O AB03009 [0,2,0,0,0,0|1,0,1]=4 63 B9R0.34 CCOC(=O)CC(C=C)O MB69298 [0,2,0,0,0,0|1,0,1]=4 64 B9R0.34 CCOC(=O)CC(C=O)Cl AB76485 [0,2,0,0,0,0|2,0,0]=4 65 B9R0.35 CCCC(=O)C(=O)OCC AB25061 [0,2,0,0,0,0|1,0,1]=4 66 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MB00654 [0,2,0,0,0,0|2,0,0]=4 67 B7R1.2 C1C(CNC1=O)N PB17844 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [1,0,0,1,0,0|1,1,0]=4 69 B7R1.2 C1[C@H](CNC1=O)O AB05836 [1,0,0,1,0,0|1,1,0]=4 70 B7R1.2 C1[C@H](CNC1=O)S PB29198 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.2 CN1CCC(=O)C1 PB26542 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 C1CC(=O)CNC1 AB27650 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.3 C1CC(=O)CNC1 PB26241 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 C1CC(=O)COC1 PB27461 [1,0,0,1,0,0|1,1,0]=4 75 B7R1.3 C1CC(=O)CSC1 PB28980 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.3 C1CCO[C@@H](C1)N MB06981 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.3 C1CCO[C@H](C1)N MB06978 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.3 C1CNC(=O)CN1 PB23229 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.3 C1CNCCC1=O PB32095 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.3 C1COC(=O)CN1 AB71646 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.3 C1COCC(=O)N1 PB29100 [1,0,0,1,0,0|1,1,0]=4 82 B7R1.3 C1COCCC1=O PB24536 [1,0,0,1,0,0|1,1,0]=4 83 B7R1.3 C1CSCCC1=O PB25896 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.8 C1CC(=O)C1CO PB37542 [1,0,0,1,0,0|1,1,0]=4 85 B7R1.22 C1CC1C(=O)C=O AB62322 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.22 C1CC1C(=O)CBr AB45693 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.22 C1CC1C(=O)NN PB14101 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.18 C1C(CN1)C(=O)N PB14800 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.18 C1C(CN1)C(=O)N PB22567 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.18 C1C(CN1)C(=O)O PB12129 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.18 C1C(CO1)C(=O)O PB18896 [1,0,0,1,0,0|0,1,0]=3 94 B7R1.18 C1CN(C1)C(=O)O AB16585 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.18 C1CNC1C(=O)O PB12060 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.18 C1COC1C(=O)O PB26385 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.20 C1CC1CC(=O)O PB21648 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.2 CCC1COCC(=O)N1 AB56433 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.15 CCC1CCCCC1=O AB02693 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.15 CCC1COCCC1=O AB75455 [0,1,0,1,0,0|1,1,0]=4 102 B9R1.15 COC1COCCC1=O PB17702 [0,1,0,1,0,0|0,1,0]=3 103 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.69 CC1CN(CCC1=O)C AB03409 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.69 CN1CC(CCC1=O)N PB13136 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.3 CN1CCCC(C1=O)N PB20691 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.5 CN1CCNCCC1=O AB49613 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.11 COC(=O)C1CCNC1 PB20842 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.11 COC(=O)C1CCOC1 PB14439 [0,1,0,1,0,0|0,1,0]=3 111 B9R1.11 COC(=O)[C@@H]1CCCN1 AB16177 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.11 COC(=O)[C@@H]1CCNC1 PB24127 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.11 COC(=O)[C@@H]1CCOC1 PB21424 [0,1,0,1,0,0|0,1,0]=3 114 B9R1.11 COC(=O)[C@H]1CCNC1 PB24144 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.11 COC(=O)[C@H]1CCOC1 PB21418 [0,1,0,1,0,0|0,1,0]=3 116 B9R1.82 COC(=O)C1CC(=C)C1 PB23217 [0,1,0,1,0,0|1,0,0]=3 117 B9R1.82 COC(=O)C1CC(=O)C1 PB32215 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.82 COC(=O)C1CC(C1)Cl PB19451 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.82 COC(=O)C1CC(C1)O PB33903 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N PB33409 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)O PB11695 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N PB13348 [0,1,0,1,0,0|1,0,0]=3 123 B9R1.82 COC(=O)[C@H]1C[C@H](C1)O PB16819 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.101 COC(=O)C(C1CC1)N CB11621 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.132 CN1C(CCC1=O)CO MB69102 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.186 CC1(CNC1)C(=O)OC PB37037 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.186 CC1(COC1)C(=O)OC AB74157 [0,1,0,1,0,0|0,1,0]=3 128 B9R1.186 COC(=O)C1(CNC1)F PB37123 [0,1,0,1,0,0|1,0,0]=3 129 B9R1.186 COC(=O)C1(COC1)N PB33544 [0,1,0,1,0,0|0,1,0]=3 130 B9R1.79 COC(=O)C=C1COC1 PB34790 [0,1,0,1,0,0|0,1,1]=4 131 B9R1.79 COC(=O)CC1CNC1 PB34937 [0,1,0,1,0,0|1,0,0]=3 132 B9R1.79 COC(=O)CC1COC1 PB11364 [0,1,0,1,0,0|0,1,0]=3 133 B9R1.40 CC1(CNCCC1=O)C PB31517 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.110 CN(C)C(=O)C1CNC1 PB16270 [0,1,0,1,0,0|2,0,0]=4