0 B5R0.1 B(CCC)(O)O AB08045 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C#CCC(=O)O AB11673 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.1 C(CCl)C(=N)N AB30465 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 C(CN)C(F)F AB65227 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C(CO)C(=N)N AB48909 [0,0,0,0,0,0|2,1,0]=3 5 B5R0.1 C(CO)C(F)F AB76811 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [0,0,0,0,0,0|1,1,1]=3 7 B5R0.1 C=C(CCCl)I MB13669 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 CC(=O)\C=N\O AB00206 [0,0,0,0,0,0|2,1,1]=4 9 B4R0.1 B(CC)(O)O AB08033 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 C#CC(=O)N MB03070 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 C(C(=N)N)Cl AB02229 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 C(C(=N)N)O AB12726 [1,0,0,0,0,0|2,1,0]=4 13 B4R0.1 C(C(=N)N)O AB21804 [1,0,0,0,0,0|2,1,0]=4 14 B4R0.1 C=C(CBr)I MB13667 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CC(=O)C=O AB00820 [1,0,0,0,0,0|1,1,1]=4 16 B4R0.1 CC(=O)NN AB00888 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 CC(=O)NO AB01014 [1,0,0,0,0,0|2,1,0]=4 18 B4R0.1 CCC(=N)N AB07703 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.2 C#CCCN AB55798 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 C(=C\O)/C#N AB85343 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.2 C(CN)CCl AB06220 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 C=CCCBr AB00123 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 C=CCCN AB14698 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 C=CCCO AB00288 [1,0,0,0,0,0|1,1,0]=3 26 B6R0.1 CCCC(=N)NN AB56218 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.1 CCNC(=O)C=C CB10170 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.1 CCOC(=N)CO AB60920 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.1 CCOC(=O)C#N PB24520 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.1 CNC(=O)CC#N AB03253 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.1 COC(=N)CCCl AB61008 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.1 COC(=O)CC#C AB11822 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.1 COC(=O)\C=C\N AB31601 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.2 B(CC(C)C)(O)O AB03722 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.2 CC(C)CC(=N)N AB60903 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.2 CC(C)CC(=S)N AB52630 [0,1,0,0,0,0|2,1,0]=4 37 B6R0.3 B(C(C)CC)(O)O AB25482 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,1,0,0,0,0|0,0,0]=1 39 B6R0.3 CC(CN)C(=O)O AB00933 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.3 CCC(C(=O)O)N AB00928 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,1,0,0,0,0|1,0,0]=2 43 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,1,0,0,0,0|1,0,0]=2 44 B6R0.4 C#CCCC(=O)O CB10019 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.4 C=C(CCCCl)I MB13670 [0,1,0,0,0,0|3,0,0]=4 46 B6R1.2 C1C=NC(=N1)O AB52896 [0,0,0,1,0,0|3,0,0]=4 47 B6R1.2 C1CNCC1=O PB21807 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.2 C1CNCC1O PB24775 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.2 C1CNC[C@@H]1O PB17129 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.2 C1CNC[C@@H]1O PB18456 [0,0,0,1,0,0|2,0,1]=4 51 B6R1.2 C1CNC[C@H]1O PB30638 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.2 C1CNC[C@H]1O PB32171 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.2 C1COCC1=O PB17440 [0,0,0,1,0,0|1,1,0]=3 54 B6R1.2 C1COCC1O PB24525 [0,0,0,1,0,0|1,1,1]=4 55 B6R1.2 C1COC[C@@H]1O PB17096 [0,0,0,1,0,0|1,1,1]=4 56 B6R1.2 C1COC[C@H]1O PB25950 [0,0,0,1,0,0|1,1,1]=4 57 B6R1.2 C1CONC1=O MB10654 [0,0,0,1,0,0|1,1,0]=3 58 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,1,0,0|2,0,1]=4 59 B6R1.5 C1C(CC1=O)Br PB30412 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.5 C1C(CC1=O)F PB36975 [0,0,0,1,0,0|2,0,0]=3 61 B6R1.5 C1C(CC1=O)N PB20766 [0,0,0,1,0,0|2,0,0]=3 62 B6R1.5 C1C(CC1O)N PB17577 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.5 C1[C@@H](C[C@@H]1N)O PB10634 [0,0,0,1,0,0|2,0,1]=4 64 B6R1.5 C1[C@@H](C[C@@H]1N)O PB11282 [0,0,0,1,0,0|2,0,1]=4 65 B6R1.5 C1[C@@H](C[C@@H]1O)F PB37280 [0,0,0,1,0,0|2,0,1]=4 66 B6R1.5 C1[C@@H](C[C@H]1N)O PB14636 [0,0,0,1,0,0|2,0,1]=4 67 B6R1.5 C1[C@@H](C[C@H]1N)O PB19576 [0,0,0,1,0,0|2,0,1]=4 68 B6R1.5 C1[C@@H](C[C@H]1O)F PB27240 [0,0,0,1,0,0|2,0,1]=4 69 B6R1.10 C1CS(=O)(=O)C1 CB10217 [0,0,0,1,0,0|2,0,1]=4 70 B6R1.11 B(C1CC1)(O)O AB17174 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.11 C1CC1C(=S)N AB50595 [0,0,0,1,0,0|2,1,0]=4 72 B3R0.1 C(=O)NN AB00881 [2,0,0,0,0,0|2,0,0]=4 73 B3R0.1 C(CCl)N AB03778 [2,0,0,0,0,0|2,0,0]=4 74 B3R0.1 C\C=C/I AB73504 [2,0,0,0,0,0|1,0,1]=4 75 B3R0.1 C\C=C\Br AB00109 [2,0,0,0,0,0|1,0,1]=4 76 B5R0.3 C=C(CO)CO PB20901 [1,1,0,0,0,0|1,1,0]=4 77 B5R0.3 CCC(=N)NN AB56212 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.3 CCC(=O)C=O AB21438 [1,1,0,0,0,0|0,0,1]=3 79 B5R0.3 CCC(=O)NN PB26058 [1,1,0,0,0,0|1,0,0]=3 80 B5R0.3 COC(=O)CN AB01112 [1,1,0,0,0,0|1,0,0]=3 81 B5R0.5 B(C(C)C)(O)O AB08847 [1,1,0,0,0,0|1,0,1]=4 82 B5R0.5 CC(C(=O)N)N AB43014 [1,1,0,0,0,0|1,0,0]=3 83 B5R0.5 CC(C)C(=N)N AB07702 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.5 CC(C)C(=S)N AB32169 [1,1,0,0,0,0|1,1,0]=4 85 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [1,1,0,0,0,0|0,0,0]=2 86 B5R0.5 C[C@@H](C(=O)O)N AB02601 [1,1,0,0,0,0|0,0,0]=2 87 B5R0.2 C(CBr)N=C=O AB04619 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.2 C(CCl)N=C=O AB00198 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.2 CCC(CC(=O)O)N AB01525 [0,2,0,0,0,0|1,0,0]=3 90 B7R0.3 COC(=O)CCC=C AB16906 [0,2,0,0,0,0|1,0,0]=3 91 B7R0.3 COC(=O)CCCO AB65249 [0,2,0,0,0,0|0,1,0]=3 92 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,2,0,0,0,0|1,0,0]=3 93 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [0,2,0,0,0,0|1,0,0]=3 96 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.7 COCC(=O)CC#N AB63823 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.10 CCC(C(=O)OC)N AB16757 [0,2,0,0,0,0|1,0,0]=3 99 B7R0.9 C(C(=O)Cl)C(F)(F)F AB07308 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.9 C(C(=O)O)C(F)(F)F AB04100 [0,2,0,0,0,0|1,0,0]=3 101 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,2,0,0,0,0|1,0,0]=3 102 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,2,0,0,0,0|1,0,0]=3 103 B7R0.13 CC(C)(CN)C(=O)N PB29404 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.13 CC(C)(CN)C(=O)O AB49662 [0,2,0,0,0,0|1,0,0]=3 105 B7R0.13 CC[C@@](C)(C(=O)O)N AB03946 [0,2,0,0,0,0|1,0,0]=3 106 B7R0.13 CC[C@](C)(C(=O)O)N AB07274 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.13 C[C@@](CO)(C(=O)O)N AB03932 [0,2,0,0,0,0|0,1,0]=3 108 B7R0.13 C[C@@](CS)(C(=O)O)N AB56457 [0,2,0,0,0,0|0,0,0]=2 109 B7R0.13 C[C@](CO)(C(=O)O)N AB03935 [0,2,0,0,0,0|0,1,0]=3 110 B7R0.13 C[C@](CS)(C(=O)O)N AB65504 [0,2,0,0,0,0|0,0,0]=2 111 B7R0.15 CCC(CN)C(=O)O AB62466 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.6 CC(=O)NCC(=O)O AB00351 [0,2,0,0,0,0|0,1,1]=4 113 B5R1.2 C1C(=O)CN1 PB32275 [1,0,0,1,0,0|2,0,0]=4 114 B5R1.2 C1C(=O)CO1 PB20352 [1,0,0,1,0,0|1,1,0]=4 115 B5R1.2 C1C(=O)CS1 PB29880 [1,0,0,1,0,0|1,0,0]=3 116 B7R1.2 C1C(CNC1=O)N PB17844 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,1,0,1,0,0|1,1,0]=4 118 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,1,0,1,0,0|1,1,0]=4 119 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.2 CN1CCC(=O)C1 PB26542 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.3 C1CC(=O)CNC1 AB27650 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.3 C1CC(=O)CNC1 PB26241 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.3 C1CC(=O)COC1 PB27461 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.3 C1CC(=O)CSC1 PB28980 [0,1,0,1,0,0|1,0,0]=3 125 B7R1.3 C1CNC(=O)CN1 PB23229 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.3 C1CNCCC1=O PB32095 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.3 C1COC(=O)CN1 AB71646 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.3 C1COCC(=O)N1 PB29100 [0,1,0,1,0,0|1,1,0]=4 129 B7R1.3 C1COCCC1=O PB24536 [0,1,0,1,0,0|1,1,0]=4 130 B7R1.3 C1CSCCC1=O PB25896 [0,1,0,1,0,0|1,0,0]=3 131 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,1,0,1,0,0|1,0,1]=4 134 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,1,0,1,0,0|1,0,0]=3 135 B7R1.8 C1CC(=O)C1CO PB37542 [0,1,0,1,0,0|1,1,0]=4 136 B7R1.10 C1C(CC1=O)C#N PB12223 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.10 C1C(CC1=O)CBr PB27115 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.10 C1C(CC1=O)CCl PB28331 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.10 C1C(CC1=O)CN PB21511 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.10 C1C(CC1=O)CO PB17805 [0,1,0,1,0,0|1,1,0]=4 141 B7R1.22 C1CC1C(=O)C=O AB62322 [0,1,0,1,0,0|1,0,1]=4 142 B7R1.22 C1CC1C(=O)CBr AB45693 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.22 C1CC1C(=O)NN PB14101 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,1,0,1,0,0|1,0,0]=3 145 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.16 C1C(=O)CC1(F)F PB28782 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.20 C1CC1CC(=O)O PB21648 [0,1,0,1,0,0|1,0,0]=3 148 B7R1.18 C1C(CN1)C(=O)N PB14800 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.18 C1C(CN1)C(=O)N PB22567 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.18 C1C(CN1)C(=O)O PB12129 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.18 C1C(CO1)C(=O)O PB18896 [0,1,0,1,0,0|0,1,0]=3 152 B7R1.18 C1CN(C1)C(=O)O AB16585 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.18 C1CNC1C(=O)N MB03936 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.18 C1CNC1C(=O)O PB12060 [0,1,0,1,0,0|1,0,0]=3 155 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.18 C1COC1C(=O)O PB26385 [0,1,0,1,0,0|0,1,0]=3 157 B7R1.19 C1CC1(C(=O)O)N PB23174 [0,1,0,1,0,0|1,0,0]=3