0 B5R0.2 C(CBr)N=C=O AB04619 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C(CC#N)CN AB52761 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C(CCl)N=C=O AB00198 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C(\C=C\Cl)ON AB44940 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.2 COCCON MB08235 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.2 C#CCCN AB55798 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.2 C(CN)CCl AB06220 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.2 C=CCCBr AB00123 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.2 C=CCCN AB14698 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.2 C=CCCO AB00288 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CCCC(=N)NN AB56218 [0,1,0,0,0,0|3,0,0]=4 11 B6R0.1 CCNC(=O)C=C CB10170 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.4 C#CCCC(=O)O CB10019 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.4 C=C(CCCCl)I MB13670 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.4 CC(=O)\C=C\OC AB00959 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.6 C(CN=C=O)C#N AB74244 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.6 CCCNCCC AB02251 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.6 COCCCON MB19791 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.6 COCCN=C=O AB50988 [0,1,0,0,0,0|1,0,1]=3 19 B6R1.1 C1CNCC=C1 PB15670 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.2 C1C=C(CO1)I AB84905 [0,0,0,1,0,0|3,0,0]=4 21 B6R1.2 C1C=CCC1N CB10532 [0,0,0,1,0,0|3,0,0]=4 22 B6R1.2 C1CNCC1=O PB21807 [0,0,0,1,0,0|2,0,0]=3 23 B6R1.2 C1COCC1=O PB17440 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.2 C1COCC1Br PB20333 [0,0,0,1,0,0|2,0,1]=4 25 B6R1.2 C1COCC1I PB14773 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.2 C1COCC1N PB27801 [0,0,0,1,0,0|2,0,1]=4 27 B6R1.2 C1COCC1O PB24525 [0,0,0,1,0,0|2,0,1]=4 28 B6R1.2 C1COC[C@@H]1I PB34863 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.2 C1COC[C@@H]1N PB10514 [0,0,0,1,0,0|2,0,1]=4 30 B6R1.2 C1COC[C@@H]1O PB17096 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.2 C1COC[C@H]1I PB22839 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.2 C1COC[C@H]1N PB18852 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.2 C1COC[C@H]1O PB25950 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.2 C1CONC1=O MB10654 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,1,0,0|1,0,1]=3 36 B6R1.2 CC1=NC=CC1 AB12705 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.2 CC1CCCN1 AB44503 [0,0,0,1,0,0|2,0,1]=4 38 B6R1.2 CC1CCNC1 AB41901 [0,0,0,1,0,0|2,0,1]=4 39 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,0,0,1,0,0|2,0,1]=4 40 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,0,0,1,0,0|2,0,1]=4 42 B6R1.2 C[C@H]1CCCN1 AB29489 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.2 C[C@H]1CCNC1 AB29522 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.2 Cc1ccon1 AB01288 [0,0,0,1,0,0|2,0,1]=4 45 B6R1.2 Cc1cocn1 AB63545 [0,0,0,1,0,0|1,0,2]=4 46 B6R1.3 C1CC1CC#N PB18433 [0,0,0,1,0,0|2,0,1]=4 47 B6R1.3 C1CC1CC=O AB51242 [0,0,0,1,0,0|1,0,0]=2 48 B6R1.3 C1CC1CCN AB23437 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.3 C1CC1CCN PB11093 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.3 C1CC1CCO PB24555 [0,0,0,1,0,0|1,0,2]=4 51 B6R1.3 C1CC1CNN PB30981 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.3 C1CC1CON AB21122 [0,0,0,1,0,0|3,0,0]=4 53 B6R1.3 C1CC1N=C=O AB10805 [0,0,0,1,0,0|1,0,1]=3 54 B6R1.3 C1CC1\C=C\Br AB76480 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.6 C1C(CO1)C=O AB76630 [0,0,0,1,0,0|2,0,0]=3 56 B6R1.6 C1CC(C1)CN PB27388 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.6 C1COC1CBr PB10565 [0,0,0,1,0,0|2,0,1]=4 58 B6R1.6 C1COC1CI PB32950 [0,0,0,1,0,0|2,0,1]=4 59 B6R1.6 C1COC1CN PB12865 [0,0,0,1,0,0|2,0,1]=4 60 B6R1.6 C1COC1CO PB20918 [0,0,0,1,0,0|2,0,1]=4 61 B3R0.1 C(=O)NN AB00881 [2,0,0,0,0,0|2,0,0]=4 62 B3R0.1 C(CCl)N AB03778 [2,0,0,0,0,0|2,0,0]=4 63 B3R0.1 C\C=C/I AB73504 [2,0,0,0,0,0|1,0,1]=4 64 B3R0.1 C\C=C\Br AB00109 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.1 B(CCC)(O)O AB08045 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.1 C#CCC(=O)O AB11673 [1,1,0,0,0,0|0,0,2]=4 67 B5R0.1 C(CCl)C(=N)N AB30465 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.1 C(CO)C(=N)N AB48909 [1,1,0,0,0,0|2,0,0]=4 69 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [1,1,0,0,0,0|2,0,0]=4 70 B5R0.1 C=C(CCCl)I MB13669 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.1 CC(C)N=C=O AB00193 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.3 C(=O)C(C=O)Br PB21703 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.3 CCC(=O)C=O AB21438 [1,1,0,0,0,0|0,0,1]=3 74 B7R0.2 CCC(CC(=O)O)N AB01525 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.3 COC(=O)CCCO AB65249 [0,2,0,0,0,0|2,0,0]=4 76 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.5 CCOC(=O)C(=O)N AB00911 [0,2,0,0,0,0|2,0,0]=4 79 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.11 CCC(C)(C)N=C=O AB71532 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.4 B(\C=C\CCC)(O)O AB08112 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.4 CC(C)CCN=C=O AB54602 [0,2,0,0,0,0|1,0,1]=4 84 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [0,2,0,0,0,0|1,0,0]=3 85 B7R0.4 CN(C)CCN=C=O AB74241 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.6 CC(=O)CNC(=O)C AB02398 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.8 CC(C)(C)CN=C=O AB55247 [0,2,0,0,0,0|1,0,1]=4 88 B7R0.1 CNCCCCC=C CB11323 [0,2,0,0,0,0|2,0,0]=4 89 B5R1.2 C1C(=O)CN1 PB32275 [1,0,0,1,0,0|1,0,0]=3 90 B5R1.2 C1C(=O)CO1 PB20352 [1,0,0,1,0,0|1,0,0]=3 91 B5R1.2 C1C(=O)CS1 PB29880 [1,0,0,1,0,0|1,0,0]=3 92 B5R1.2 C1C(CO1)Br PB32639 [1,0,0,1,0,0|1,0,1]=4 93 B5R1.2 C1C(CO1)Cl PB33445 [1,0,0,1,0,0|1,0,1]=4 94 B5R1.2 C1C(CO1)F AB71732 [1,0,0,1,0,0|1,0,1]=4 95 B5R1.2 C1C(CO1)I PB20276 [1,0,0,1,0,0|1,0,1]=4 96 B5R1.2 C1C(CO1)N MB07029 [1,0,0,1,0,0|1,0,1]=4 97 B5R1.2 C1C(CO1)N PB31297 [1,0,0,1,0,0|1,0,1]=4 98 B5R1.2 C1C(CO1)O PB25111 [1,0,0,1,0,0|1,0,1]=4 99 B5R1.2 C1C(CO1)S PB31940 [1,0,0,1,0,0|1,0,1]=4 100 B5R1.2 CC1CNC1 PB16157 [1,0,0,1,0,0|1,0,1]=4 101 B5R1.3 CNC1CC1 PB16260 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.1 C1C=CCC1C=O AB76805 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.1 C1C=CCC1CBr AB76476 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.1 C1C=CCC1CO PB12789 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.1 C1CC(OC1)CI AB24846 [0,1,0,1,0,0|1,0,1]=4 106 B7R1.1 C1CC(OC1)CN AB00408 [0,1,0,1,0,0|1,0,1]=4 107 B7R1.1 C1CC=C(C1)CBr PB30182 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.1 C1CCC(C1)C=O AB02400 [0,1,0,1,0,0|1,0,0]=3 109 B7R1.1 C1COCC1CBr PB10518 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.1 C1COCC1CCl MB04735 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.1 C1COCC1CI PB23453 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.1 C1COCC1CN PB10526 [0,1,0,1,0,0|1,0,1]=4 113 B7R1.1 C1COCC1CO PB30586 [0,1,0,1,0,0|1,0,1]=4 114 B7R1.1 C1COC[C@@H]1CN PB15453 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.1 C1COC[C@@H]1CO PB30186 [0,1,0,1,0,0|1,0,1]=4 116 B7R1.1 C1COC[C@H]1CN PB18204 [0,1,0,1,0,0|1,0,1]=4 117 B7R1.1 C1COC[C@H]1CO PB34870 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.1 CNC1CCOC1 PB17482 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.1 CN[C@@H]1CCOC1 PB30485 [0,1,0,1,0,0|1,0,1]=4 120 B7R1.1 CN[C@H]1CCOC1 PB11771 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.2 C1C(CNC1=O)N PB17844 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,1,0,1,0,0|1,0,0]=3 125 B7R1.2 CN1CCC(=O)C1 PB26542 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.3 C1CC(=O)CNC1 AB27650 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.3 C1CC(=O)CNC1 PB26241 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.3 C1CC(=O)COC1 PB27461 [0,1,0,1,0,0|0,0,0]=2 129 B7R1.3 C1CC(=O)CSC1 PB28980 [0,1,0,1,0,0|0,1,0]=3 130 B7R1.3 C1CC(COC1)Br MB04535 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.3 C1CC(COC1)N PB30901 [0,1,0,1,0,0|1,0,1]=4 132 B7R1.3 C1CC(COC1)O PB32182 [0,1,0,1,0,0|0,0,2]=4 133 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,1,0,1,0,0|1,0,1]=4 134 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,1,0,1,0,0|1,0,1]=4 135 B7R1.3 C1CNC(=O)CN1 PB23229 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.3 C1CNCCC1=O PB32095 [0,1,0,1,0,0|1,0,0]=3 137 B7R1.3 C1COC(=O)CN1 AB71646 [0,1,0,1,0,0|0,0,0]=2 138 B7R1.3 C1COC(CN1)O CB11808 [0,1,0,1,0,0|0,0,2]=4 139 B7R1.3 C1COCC(=O)N1 PB29100 [0,1,0,1,0,0|1,0,0]=3 140 B7R1.3 C1COCC(=S)N1 AB72718 [0,1,0,1,0,0|1,1,0]=4 141 B7R1.3 C1COCC=C1I AB69543 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.3 C1COCCC1=O PB24536 [0,1,0,1,0,0|1,0,0]=3 143 B7R1.3 C1COCCC1Br PB24975 [0,1,0,1,0,0|1,0,1]=4 144 B7R1.3 C1COCCC1Cl AB02848 [0,1,0,1,0,0|1,0,1]=4 145 B7R1.3 C1COCCC1I PB13042 [0,1,0,1,0,0|1,0,1]=4 146 B7R1.3 C1COCCC1N AB11128 [0,1,0,1,0,0|1,0,1]=4 147 B7R1.3 C1COCCC1N PB27421 [0,1,0,1,0,0|1,0,1]=4 148 B7R1.3 C1COCCC1O PB11583 [0,1,0,1,0,0|1,0,1]=4 149 B7R1.3 C1CSCCC1=O PB25896 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.3 CC1CNCCO1 PB23610 [0,1,0,1,0,0|1,0,1]=4 151 B7R1.3 CC1COCCN1 AB49614 [0,1,0,1,0,0|1,0,1]=4 152 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,1,0,1,0,0|1,0,1]=4 153 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,1,0,1,0,0|1,0,1]=4 154 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,1,0,1,0,0|1,0,1]=4 155 B7R1.3 C[C@H]1COCCN1 AB16412 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,1,0,1,0,0|1,0,0]=3 157 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,1,0,1,0,0|1,0,0]=3 158 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,1,0,1,0,0|0,0,0]=2 160 B7R1.6 C1C(CO1)CC=O PB14037 [0,1,0,1,0,0|1,0,0]=3 161 B7R1.6 C1CC(C1)CC=O AB49507 [0,1,0,1,0,0|1,0,0]=3 162 B7R1.6 C1CC(C1)N=C=O AB55242 [0,1,0,1,0,0|1,0,1]=4 163 B7R1.6 CCOC1CNC1 AB30388 [0,1,0,1,0,0|1,0,1]=4 164 B7R1.8 C1CC(=O)C1CO PB37542 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.10 C1C(CC1=O)CBr PB27115 [0,1,0,1,0,0|2,0,0]=4 166 B7R1.10 C1C(CC1=O)CCl PB28331 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.10 C1C(CC1=O)CN PB21511 [0,1,0,1,0,0|2,0,0]=4 168 B7R1.10 C1C(CC1=O)CO PB17805 [0,1,0,1,0,0|2,0,0]=4 169 B7R1.22 C1CC1C(=O)C=O AB62322 [0,1,0,1,0,0|1,0,0]=3 170 B7R1.25 CC1(COC1)C=O PB34454 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.7 C1CC1CN=C=O AB71485 [0,1,0,1,0,0|1,0,1]=4 172 B7R1.7 C1CC1OCCCl AB18070 [0,1,0,1,0,0|1,0,1]=4 173 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,1,0,1,0,0|2,0,0]=4 174 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.14 C1CNS(=O)(=O)C1 PB25181 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.14 C1COS(=O)(=O)N1 PB27333 [0,1,0,1,0,0|2,0,0]=4 177 B7R1.14 CC1(CCOC1)N PB13539 [0,1,0,1,0,0|1,0,1]=4 178 B7R1.18 C1C(CN1)C(=O)N PB14800 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.18 C1C(CN1)C(=O)N PB22567 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.18 C1C(CN1)C(=O)O PB12129 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.18 C1C(CO1)C(=O)O PB18896 [0,1,0,1,0,0|2,0,0]=4 182 B7R1.18 C1CC(C1)C(=N)N PB21224 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.18 C1CC(C1)[N+](=O)[O-] CB11721 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.18 C1CN(C1)C(=O)O AB16585 [0,1,0,1,0,0|1,0,0]=3 185 B7R1.18 C1CNC1C(=O)N MB03936 [0,1,0,1,0,0|2,0,0]=4 186 B7R1.18 C1CNC1C(=O)O PB12060 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.18 C1COC1C(=O)O PB26385 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.20 C1CC1CC(=N)N AB49225 [0,1,0,1,0,0|2,0,0]=4 190 B7R1.20 C1CC1CC(=O)O PB21648 [0,1,0,1,0,0|1,0,0]=3 191 B7R1.23 C1C(C1(F)F)C=O AB68663 [0,1,0,1,0,0|2,0,0]=4