0 B5R0.3 C(=O)C(C=O)Br PB21703 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C(=O)N(C=O)[Na] AB03947 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CCC(=N)NN AB56212 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 CCC(=O)C=O AB21438 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.3 CCC(=O)NN PB26058 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 C[C@@H](CO)NC AB31545 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 B(CC)(O)O AB08033 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 C=C(CBr)I MB13667 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CC(=O)C=O AB00820 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 CC(=O)NN AB00888 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 CC(=O)NO AB01014 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 CCC(=N)N AB07703 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.2 C#CCCN AB55798 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 C(CN)CCl AB06220 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 C=CCCBr AB00123 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.2 C=CCCN AB14698 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.2 C=CCCO AB00288 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CCNC(=O)C=C CB10170 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.1 COCC(CO)N AB24949 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.3 B(C(C)CC)(O)O AB25482 [0,1,0,0,0,0|1,0,1]=3 21 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.3 CC(C)C(C#N)O AB07208 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.3 CC(CN)C(=O)O AB00933 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.3 CCC(C(=O)O)N AB00928 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,1,0,0,0,0|1,0,0]=2 26 B6R0.3 CN(C(=O)N)N=O CB10099 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.8 CC(C)(CO)OC CB11973 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.8 CC[C@@](C)(CO)O AB26212 [0,1,0,0,0,0|0,0,2]=3 31 B6R0.8 CC[C@](C)(CO)O AB26211 [0,1,0,0,0,0|0,0,2]=3 32 B6R0.9 COC(CN)OC AB00930 [0,1,0,0,0,0|2,0,1]=4 33 B6R1.2 C1CNCC1F AB27153 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.2 C1CNCC1F PB27633 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.2 C1CNCC1O PB24775 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.2 C1CNC[C@@H]1F AB27158 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.2 C1CNC[C@@H]1F PB23386 [0,0,0,1,0,0|2,0,1]=4 38 B6R1.2 C1CNC[C@@H]1N AB02820 [0,0,0,1,0,0|2,0,1]=4 39 B6R1.2 C1CNC[C@@H]1O PB17129 [0,0,0,1,0,0|2,0,1]=4 40 B6R1.2 C1CNC[C@@H]1O PB18456 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.2 C1CNC[C@H]1F AB27154 [0,0,0,1,0,0|2,0,1]=4 42 B6R1.2 C1CNC[C@H]1F PB20102 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.2 C1CNC[C@H]1N AB02823 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.2 C1CNC[C@H]1O PB30638 [0,0,0,1,0,0|2,0,1]=4 45 B6R1.2 C1CNC[C@H]1O PB32171 [0,0,0,1,0,0|2,0,1]=4 46 B6R1.2 C1COCC1Br PB20333 [0,0,0,1,0,0|1,0,2]=4 47 B6R1.2 C1COCC1I PB14773 [0,0,0,1,0,0|1,0,2]=4 48 B6R1.2 C1COCC1N PB27801 [0,0,0,1,0,0|1,0,2]=4 49 B6R1.2 C1COCC1O PB24525 [0,0,0,1,0,0|1,0,2]=4 50 B6R1.2 C1COC[C@@H]1I PB34863 [0,0,0,1,0,0|1,0,2]=4 51 B6R1.2 C1COC[C@@H]1N PB10514 [0,0,0,1,0,0|1,0,2]=4 52 B6R1.2 C1COC[C@@H]1O PB17096 [0,0,0,1,0,0|1,0,2]=4 53 B6R1.2 C1COC[C@H]1I PB22839 [0,0,0,1,0,0|1,0,2]=4 54 B6R1.2 C1COC[C@H]1N PB18852 [0,0,0,1,0,0|1,0,2]=4 55 B6R1.2 C1COC[C@H]1O PB25950 [0,0,0,1,0,0|1,0,2]=4 56 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.2 CC1=CN=CC1 PB12076 [0,0,0,1,0,0|1,0,2]=4 58 B6R1.2 CC1=CN=NC1 AB00390 [0,0,0,1,0,0|2,0,1]=4 59 B6R1.2 CC1CCCN1 AB44503 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.2 CC1CCNC1 AB41901 [0,0,0,1,0,0|1,0,1]=3 61 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,0,0,1,0,0|2,0,0]=3 62 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,0,0,1,0,0|2,0,0]=3 63 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,0,0,1,0,0|1,0,1]=3 64 B6R1.2 C[C@H]1CCCN1 AB29489 [0,0,0,1,0,0|2,0,0]=3 65 B6R1.2 C[C@H]1CCNC1 AB29522 [0,0,0,1,0,0|1,0,1]=3 66 B6R1.4 CC1C(CN1)O PB39176 [0,0,0,1,0,0|1,0,2]=4 67 B6R1.6 C1C(CN1)C#N PB25163 [0,0,0,1,0,0|2,0,1]=4 68 B6R1.6 C1C(CN1)CO PB34326 [0,0,0,1,0,0|1,0,2]=4 69 B6R1.6 C1C(CO1)C=O AB76630 [0,0,0,1,0,0|1,0,0]=2 70 B6R1.6 C1C(CO1)CCl MB06442 [0,0,0,1,0,0|1,0,2]=4 71 B6R1.6 C1C(CO1)CI PB11384 [0,0,0,1,0,0|1,0,2]=4 72 B6R1.6 C1C(CO1)CN PB26850 [0,0,0,1,0,0|1,0,2]=4 73 B6R1.6 C1C(CO1)CO PB28641 [0,0,0,1,0,0|1,0,2]=4 74 B6R1.6 C1C(CS1)CN PB19286 [0,0,0,1,0,0|1,1,1]=4 75 B6R1.6 C1CC(C1)CN PB27388 [0,0,0,1,0,0|1,0,1]=3 76 B6R1.6 C1CNC1CN PB33610 [0,0,0,1,0,0|2,0,1]=4 77 B6R1.6 C1CNC1CO PB21145 [0,0,0,1,0,0|1,0,2]=4 78 B6R1.6 C1CN[C@H]1CO PB13255 [0,0,0,1,0,0|1,0,2]=4 79 B6R1.6 C1COC1CBr PB10565 [0,0,0,1,0,0|2,0,1]=4 80 B6R1.6 C1COC1CI PB32950 [0,0,0,1,0,0|2,0,1]=4 81 B6R1.6 C1COC1CN PB12865 [0,0,0,1,0,0|2,0,1]=4 82 B6R1.6 C1COC1CO PB20918 [0,0,0,1,0,0|1,0,2]=4 83 B6R1.6 CNC1COC1 PB25068 [0,0,0,1,0,0|1,0,2]=4 84 B6R1.6 COC1CNC1 PB27751 [0,0,0,1,0,0|2,0,1]=4 85 B6R1.7 C1CC1(CN)O AB21151 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.7 C1CC1(CO)N PB26047 [0,0,0,1,0,0|1,0,2]=4 87 B6R1.8 CS[C@@H]1C[C@H]1N MB69372 [0,0,0,1,0,0|2,0,1]=4 88 B3R0.1 C(=O)NN AB00881 [2,0,0,0,0,0|2,0,0]=4 89 B3R0.1 C(CCl)N AB03778 [2,0,0,0,0,0|2,0,0]=4 90 B3R0.1 C\C=C/I AB73504 [2,0,0,0,0,0|1,0,1]=4 91 B3R0.1 C\C=C\Br AB00109 [2,0,0,0,0,0|1,0,1]=4 92 B3R0.2 C[S+](C)C AB01061 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.1 C(CN)C(F)F AB65227 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.1 C(CO)C(F)F AB76811 [1,1,0,0,0,0|2,0,0]=4 95 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [1,1,0,0,0,0|2,0,0]=4 96 B5R0.1 C=C(CCCl)I MB13669 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.1 CC(C)N=C=O AB00193 [1,1,0,0,0,0|0,0,1]=3 98 B5R0.4 CC(C)(C)[N+]#[C-] AB32563 [1,1,0,0,0,0|2,0,0]=4 99 B5R0.4 CSS(=O)(=O)C CB10056 [1,1,0,0,0,0|2,0,0]=4 100 B5R0.5 B(C(C)C)(O)O AB08847 [1,1,0,0,0,0|1,0,1]=4 101 B5R0.5 CC(C(=O)N)N AB43014 [1,1,0,0,0,0|1,0,0]=3 102 B5R0.5 CC(C)C(=N)N AB07702 [1,1,0,0,0,0|1,0,0]=3 103 B5R0.5 CC(C)C(=S)N AB32169 [1,1,0,0,0,0|0,1,0]=3 104 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.5 C[C@@H](C(=O)O)N AB02601 [1,1,0,0,0,0|1,0,0]=3 106 B5R0.2 C(CBr)N=C=O AB04619 [1,1,0,0,0,0|1,0,1]=4 107 B5R0.2 C(CC#N)CN AB52761 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.2 C(CCl)N=C=O AB00198 [1,1,0,0,0,0|1,0,1]=4 109 B5R0.2 COCCON MB08235 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.2 CCC(CC(=O)O)N AB01525 [0,2,0,0,0,0|1,0,0]=3 111 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.3 C[C@H](CO)OCOC AB53701 [0,2,0,0,0,0|0,0,2]=4 113 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,2,0,0,0,0|1,0,0]=3 114 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,2,0,0,0,0|1,0,0]=3 115 B7R0.5 CCOC(=O)C(=O)N AB00911 [0,2,0,0,0,0|1,0,1]=4 116 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [0,2,0,0,0,0|1,0,0]=3 118 B7R0.10 CCC(C(=O)OC)N AB16757 [0,2,0,0,0,0|1,0,0]=3 119 B7R0.11 CCC(C)(C)N=C=O AB71532 [0,2,0,0,0,0|0,0,1]=3 120 B7R0.11 CCO[C@@](C)(CO)O AB31299 [0,2,0,0,0,0|0,0,2]=4 121 B7R0.13 CC(C)(CN)C(=O)N PB29404 [0,2,0,0,0,0|1,0,0]=3 122 B7R0.13 CC(C)(CN)C(=O)O AB49662 [0,2,0,0,0,0|1,0,0]=3 123 B7R0.13 CC[C@@](C)(C(=O)O)N AB03946 [0,2,0,0,0,0|0,0,0]=2 124 B7R0.13 CC[C@](C)(C(=O)O)N AB07274 [0,2,0,0,0,0|0,0,0]=2 125 B7R0.13 C[C@@](CO)(C(=O)O)N AB03932 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.13 C[C@@](CS)(C(=O)O)N AB56457 [0,2,0,0,0,0|1,0,0]=3 127 B7R0.13 C[C@](CO)(C(=O)O)N AB03935 [0,2,0,0,0,0|1,0,0]=3 128 B7R0.13 C[C@](CS)(C(=O)O)N AB65504 [0,2,0,0,0,0|1,0,0]=3 129 B7R0.14 CC(C)(C)C(=O)C=O AB08363 [0,2,0,0,0,0|1,0,1]=4 130 B7R0.15 CC(C(OC)OC)Br AB64104 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.15 CCC(CN)C(=O)O AB62466 [0,2,0,0,0,0|0,0,0]=2 132 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,2,0,0,0,0|1,0,0]=3 133 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,2,0,0,0,0|1,0,0]=3 134 B5R1.2 C1C(=O)CN1 PB32275 [1,0,0,1,0,0|1,0,1]=4 135 B5R1.2 C1C(=O)CO1 PB20352 [1,0,0,1,0,0|1,0,1]=4 136 B5R1.2 C1C(=O)CS1 PB29880 [1,0,0,1,0,0|1,0,1]=4 137 B5R1.2 C1C(CN1)N PB22346 [1,0,0,1,0,0|2,0,0]=4 138 B5R1.2 C1C(CN1)O PB18565 [1,0,0,1,0,0|1,0,1]=4 139 B5R1.2 C1C(CN1)S PB18372 [1,0,0,1,0,0|1,1,0]=4 140 B5R1.2 C1C(CO1)Br PB32639 [1,0,0,1,0,0|2,0,0]=4 141 B5R1.2 C1C(CO1)Cl PB33445 [1,0,0,1,0,0|2,0,0]=4 142 B5R1.2 C1C(CO1)F AB71732 [1,0,0,1,0,0|2,0,0]=4 143 B5R1.2 C1C(CO1)I PB20276 [1,0,0,1,0,0|2,0,0]=4 144 B5R1.2 C1C(CO1)N MB07029 [1,0,0,1,0,0|2,0,0]=4 145 B5R1.2 C1C(CO1)N PB31297 [1,0,0,1,0,0|2,0,0]=4 146 B5R1.2 C1C(CO1)O PB25111 [1,0,0,1,0,0|1,0,1]=4 147 B5R1.2 C1C(CO1)S PB31940 [1,0,0,1,0,0|1,1,0]=4 148 B5R1.2 C1C(CS1)N PB11400 [1,0,0,1,0,0|2,0,0]=4 149 B5R1.2 CC1CNC1 PB16157 [1,0,0,1,0,0|1,0,1]=4 150 B5R1.3 CNC1CC1 PB16260 [1,0,0,1,0,0|1,0,1]=4 151 B7R1.1 C#CC1CCOC1 PB28898 [0,1,0,1,0,0|1,0,1]=4 152 B7R1.1 C1C=CCC1C=O AB76805 [0,1,0,1,0,0|0,0,1]=3 153 B7R1.1 C1C=CCC1CBr AB76476 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.1 C1C=CCC1CO PB12789 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.1 C1CC(NC1)C#N PB19916 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.1 C1CC(OC1)CI AB24846 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.1 C1CC(OC1)CN AB00408 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.1 C1CC=C(C1)CBr PB30182 [0,1,0,1,0,0|1,0,1]=4 159 B7R1.1 C1CCC(C1)C=O AB02400 [0,1,0,1,0,0|0,0,0]=2 160 B7R1.1 C1CCC(C1)CBr AB50196 [0,1,0,1,0,0|1,0,1]=4 161 B7R1.1 C1CCC(C1)CI AB15507 [0,1,0,1,0,0|1,0,1]=4 162 B7R1.1 C1CCC(C1)CN AB17884 [0,1,0,1,0,0|1,0,1]=4 163 B7R1.1 C1CNCC1C#N PB12572 [0,1,0,1,0,0|1,0,1]=4 164 B7R1.1 C1CNCC1CO PB15896 [0,1,0,1,0,0|0,0,2]=4 165 B7R1.1 C1CNCC1CO PB31387 [0,1,0,1,0,0|0,0,2]=4 166 B7R1.1 C1CNC[C@@H]1C#N PB25426 [0,1,0,1,0,0|1,0,1]=4 167 B7R1.1 C1CNC[C@@H]1CO PB12644 [0,1,0,1,0,0|0,0,2]=4 168 B7R1.1 C1CNC[C@@H]1CO PB19010 [0,1,0,1,0,0|0,0,2]=4 169 B7R1.1 C1CNC[C@H]1C#N PB10931 [0,1,0,1,0,0|1,0,1]=4 170 B7R1.1 C1CNC[C@H]1CO PB31350 [0,1,0,1,0,0|0,0,2]=4 171 B7R1.1 C1CNC[C@H]1CO PB32765 [0,1,0,1,0,0|0,0,2]=4 172 B7R1.1 C1COCC1C#N PB22187 [0,1,0,1,0,0|1,0,1]=4 173 B7R1.1 C1COCC1CBr PB10518 [0,1,0,1,0,0|0,0,2]=4 174 B7R1.1 C1COCC1CCl MB04735 [0,1,0,1,0,0|0,0,2]=4 175 B7R1.1 C1COCC1CI PB23453 [0,1,0,1,0,0|0,0,2]=4 176 B7R1.1 C1COCC1CN PB10526 [0,1,0,1,0,0|0,0,2]=4 177 B7R1.1 C1COCC1CO PB30586 [0,1,0,1,0,0|0,0,2]=4 178 B7R1.1 C1COC[C@@H]1C#N PB19741 [0,1,0,1,0,0|1,0,1]=4 179 B7R1.1 C1COC[C@@H]1CN PB15453 [0,1,0,1,0,0|0,0,2]=4 180 B7R1.1 C1COC[C@@H]1CO PB30186 [0,1,0,1,0,0|0,0,2]=4 181 B7R1.1 C1COC[C@H]1C#N PB11493 [0,1,0,1,0,0|1,0,1]=4 182 B7R1.1 C1COC[C@H]1CN PB18204 [0,1,0,1,0,0|0,0,2]=4 183 B7R1.1 C1COC[C@H]1CO PB34870 [0,1,0,1,0,0|0,0,2]=4 184 B7R1.1 C1C[C@@H](NC1)C#N PB20041 [0,1,0,1,0,0|1,0,1]=4 185 B7R1.1 C1C[C@@H](NC1)C#N PB30023 [0,1,0,1,0,0|1,0,1]=4 186 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,1,0,1,0,0|0,0,2]=4 187 B7R1.1 C1C[C@H](NC1)C#N PB29383 [0,1,0,1,0,0|1,0,1]=4 188 B7R1.1 C1C[C@H](NC1)CF PB15907 [0,1,0,1,0,0|1,0,1]=4 189 B7R1.1 C1C[C@H](NC1)CN PB13488 [0,1,0,1,0,0|1,0,1]=4 190 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,1,0,1,0,0|0,0,2]=4 191 B7R1.1 CCC1=CN=CC1 AB31265 [0,1,0,1,0,0|1,0,1]=4 192 B7R1.1 CCC1CCCN1 AB12042 [0,1,0,1,0,0|1,0,1]=4 193 B7R1.1 CCC1CCNC1 AB41905 [0,1,0,1,0,0|1,0,1]=4 194 B7R1.1 CC[C@@H]1CCNC1 AB74297 [0,1,0,1,0,0|1,0,1]=4 195 B7R1.1 CNC1CCOC1 PB17482 [0,1,0,1,0,0|0,0,2]=4 196 B7R1.1 CN[C@@H]1CCOC1 PB30485 [0,1,0,1,0,0|0,0,2]=4 197 B7R1.1 CN[C@H]1CCOC1 PB11771 [0,1,0,1,0,0|0,0,2]=4 198 B7R1.1 COC1CCNC1 PB31357 [0,1,0,1,0,0|1,0,1]=4 199 B7R1.1 CO[C@@H]1CCNC1 PB20659 [0,1,0,1,0,0|1,0,1]=4 200 B7R1.1 CO[C@@H]1CCNC1 PB26535 [0,1,0,1,0,0|1,0,1]=4 201 B7R1.1 CO[C@H]1CCNC1 PB10788 [0,1,0,1,0,0|1,0,1]=4 202 B7R1.2 C1C(CNC1=O)N PB17844 [0,1,0,1,0,0|2,0,0]=4 203 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,1,0,1,0,0|2,0,0]=4 204 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,1,0,1,0,0|2,0,0]=4 205 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,1,0,1,0,0|2,0,0]=4 206 B7R1.2 CN1CCC(=O)C1 PB26542 [0,1,0,1,0,0|1,0,0]=3 207 B7R1.3 CC1CCCNC1 AB00557 [0,1,0,1,0,0|1,0,1]=4 208 B7R1.3 CC1CNCCO1 PB23610 [0,1,0,1,0,0|1,0,1]=4 209 B7R1.3 CC1COCCN1 AB49614 [0,1,0,1,0,0|0,0,2]=4 210 B7R1.3 C[C@@H]1CNCCN1 AB04653 [0,1,0,1,0,0|1,0,1]=4 211 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,1,0,1,0,0|1,0,1]=4 212 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,1,0,1,0,0|0,0,2]=4 213 B7R1.3 C[C@H]1CNCCN1 AB04288 [0,1,0,1,0,0|1,0,1]=4 214 B7R1.3 C[C@H]1CNCCN1 AB14223 [0,1,0,1,0,0|1,0,1]=4 215 B7R1.3 C[C@H]1CNCCN1 AB63406 [0,1,0,1,0,0|1,0,1]=4 216 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,1,0,1,0,0|1,0,1]=4 217 B7R1.3 C[C@H]1COCCN1 AB16412 [0,1,0,1,0,0|0,0,2]=4 218 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,1,0,1,0,0|1,0,0]=3 219 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,1,0,1,0,0|1,0,0]=3 220 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,1,0,1,0,0|1,0,0]=3 221 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,1,0,1,0,0|1,0,0]=3 222 B7R1.4 CC1C(=NC=N1)C AB09621 [0,1,0,1,0,0|1,0,1]=4 223 B7R1.6 C1C(CO1)CC=O PB14037 [0,1,0,1,0,0|1,0,0]=3 224 B7R1.6 C1C(CO1)CCN AB76310 [0,1,0,1,0,0|0,0,2]=4 225 B7R1.6 C1C(CO1)CCO PB15326 [0,1,0,1,0,0|0,0,2]=4 226 B7R1.6 C1CC(C1)CC=O AB49507 [0,1,0,1,0,0|0,0,0]=2 227 B7R1.6 C1CC(C1)CCN PB23748 [0,1,0,1,0,0|1,0,1]=4 228 B7R1.6 C1CC(C1)N=C=O AB55242 [0,1,0,1,0,0|0,0,1]=3 229 B7R1.6 CCNC1COC1 PB13879 [0,1,0,1,0,0|0,0,2]=4 230 B7R1.6 CCOC1CNC1 AB30388 [0,1,0,1,0,0|1,0,1]=4 231 B7R1.6 CNCC1COC1 PB36516 [0,1,0,1,0,0|0,0,2]=4 232 B7R1.6 COCC1CCN1 PB36845 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.6 COCC1CNC1 PB23654 [0,1,0,1,0,0|1,0,1]=4 234 B7R1.6 COC[C@@H]1CCN1 PB36728 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.6 COC[C@H]1CCN1 PB28355 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.8 C1CC(=O)C1CO PB37542 [0,1,0,1,0,0|0,0,0]=2 237 B7R1.8 CN1CCC1CN PB37073 [0,1,0,1,0,0|1,0,1]=4 238 B7R1.8 CN1CC[C@@H]1CN PB35830 [0,1,0,1,0,0|1,0,1]=4 239 B7R1.8 CN1CC[C@H]1CN PB38844 [0,1,0,1,0,0|1,0,1]=4 240 B7R1.10 C1C(CC1=O)C#N PB12223 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.10 C1C(CC1=O)CBr PB27115 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.10 C1C(CC1=O)CCl PB28331 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.10 C1C(CC1=O)CN PB21511 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.10 C1C(CC1=O)CO PB17805 [0,1,0,1,0,0|1,0,0]=3 245 B7R1.10 C1C(CC1Cl)CO PB34804 [0,1,0,1,0,0|0,0,2]=4 246 B7R1.10 C1C(CC1F)CN PB38656 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.10 C1C(CC1N)CO PB17688 [0,1,0,1,0,0|0,0,2]=4 248 B7R1.10 C1C(CC1N)CO PB21400 [0,1,0,1,0,0|0,0,2]=4 249 B7R1.10 C1C(CC1O)CN PB13605 [0,1,0,1,0,0|1,0,1]=4 250 B7R1.10 C1[C@@H](C[C@@H]1CN)F PB35344 [0,1,0,1,0,0|1,0,1]=4 251 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB27029 [0,1,0,1,0,0|1,0,1]=4 252 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB35521 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB19477 [0,1,0,1,0,0|0,0,2]=4 254 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB27028 [0,1,0,1,0,0|0,0,2]=4 255 B7R1.10 C1[C@@H](C[C@H]1CN)F PB36542 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.10 C1[C@@H](C[C@H]1CN)O PB11268 [0,1,0,1,0,0|1,0,1]=4 257 B7R1.10 C1[C@@H](C[C@H]1CN)O PB38808 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.10 C1[C@@H](C[C@H]1CO)N PB18381 [0,1,0,1,0,0|0,0,2]=4 259 B7R1.10 C1[C@@H](C[C@H]1CO)N PB34902 [0,1,0,1,0,0|0,0,2]=4 260 B7R1.10 CNC1CC(C1)O PB36492 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.10 CNC1CN(C1)C PB20386 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.10 CN[C@H]1C[C@@H](C1)O PB25695 [0,1,0,1,0,0|2,0,0]=4 263 B7R1.10 CN[C@H]1C[C@H](C1)O PB35156 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.10 COC1CC(C1)N PB11210 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.10 CO[C@H]1C[C@@H](C1)N PB15524 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.10 CO[C@H]1C[C@@H](C1)N PB36079 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.10 CO[C@H]1C[C@H](C1)N PB16800 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.10 CO[C@H]1C[C@H](C1)N PB37429 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.22 C1CC1C(=O)C=O AB62322 [0,1,0,1,0,0|1,0,1]=4 270 B7R1.25 C1CC(C1)(CO)N PB16437 [0,1,0,1,0,0|0,0,2]=4 271 B7R1.25 CC1(CCC1)CN PB11165 [0,1,0,1,0,0|1,0,1]=4 272 B7R1.25 CC1(CNC1)C#N PB10946 [0,1,0,1,0,0|1,0,1]=4 273 B7R1.25 CC1(CNC1)CN PB26448 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.25 CC1(CNC1)OC PB25362 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.25 CC1(COC1)C#C PB27224 [0,1,0,1,0,0|1,0,1]=4 276 B7R1.25 CC1(COC1)C=O PB34454 [0,1,0,1,0,0|0,0,0]=2 277 B7R1.25 CC1(COC1)CBr PB21817 [0,1,0,1,0,0|1,0,1]=4 278 B7R1.25 CC1(COC1)CCl PB27545 [0,1,0,1,0,0|1,0,1]=4 279 B7R1.25 CC1(COC1)CI PB34619 [0,1,0,1,0,0|1,0,1]=4 280 B7R1.25 CC1(COC1)CN PB32664 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.25 CC1(COC1)CO PB20862 [0,1,0,1,0,0|0,0,2]=4 282 B7R1.25 CC1(COC1)CS PB21164 [0,1,0,1,0,0|0,1,1]=4 283 B7R1.25 CCC1(CNC1)N PB20652 [0,1,0,1,0,0|1,0,1]=4 284 B7R1.25 CCC1(CNC1)O PB13452 [0,1,0,1,0,0|1,0,1]=4 285 B7R1.25 CCC1(COC1)N PB16859 [0,1,0,1,0,0|0,0,2]=4 286 B7R1.25 CCC1(COC1)N PB38017 [0,1,0,1,0,0|0,0,2]=4 287 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,1,0,1,0,0|1,0,0]=3 288 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,1,0,1,0,0|0,0,0]=2 289 B7R1.18 B(C1CCC1)(O)O AB29820 [0,1,0,1,0,0|1,0,1]=4 290 B7R1.18 C1C(CN1)C(=O)N PB14800 [0,1,0,1,0,0|1,0,0]=3 291 B7R1.18 C1C(CN1)C(=O)N PB22567 [0,1,0,1,0,0|1,0,0]=3 292 B7R1.18 C1C(CN1)C(=O)O PB12129 [0,1,0,1,0,0|1,0,0]=3 293 B7R1.18 C1C(CO1)C(=O)O PB18896 [0,1,0,1,0,0|1,0,0]=3 294 B7R1.18 C1CC(C1)C(=N)N PB21224 [0,1,0,1,0,0|1,0,0]=3 295 B7R1.18 C1CC(C1)[N+](=O)[O-] CB11721 [0,1,0,1,0,0|1,0,0]=3 296 B7R1.18 C1CN(C1)C(=O)O AB16585 [0,1,0,1,0,0|1,0,0]=3 297 B7R1.18 C1CNC1C(=O)N MB03936 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.18 C1CNC1C(=O)O PB12060 [0,1,0,1,0,0|1,0,0]=3 299 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [0,1,0,1,0,0|1,0,0]=3 300 B7R1.18 C1COC1C(=O)O PB26385 [0,1,0,1,0,0|1,0,0]=3 301 B7R1.18 CC(C1CCC1)O CB10183 [0,1,0,1,0,0|0,0,2]=4 302 B7R1.19 C1CC1(C(=O)O)N PB23174 [0,1,0,1,0,0|1,0,0]=3 303 B7R1.23 C1C(C1(F)F)C=O AB68663 [0,1,0,1,0,0|1,0,0]=3 304 B7R1.14 CC1(CCCN1)C PB25045 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.14 CC1(CCNC1)C PB14755 [0,1,0,1,0,0|1,0,1]=4 306 B7R1.14 CC1(CCNC1)O PB19348 [0,1,0,1,0,0|1,0,1]=4 307 B7R1.14 CC1(CCOC1)N PB13539 [0,1,0,1,0,0|0,0,2]=4 308 B7R2.13 C1C2C1CNC2 AB58452 [0,0,0,2,0,0|1,0,1]=4 309 B7R2.13 C1C2C1CNC2 PB15056 [0,0,0,2,0,0|1,0,1]=4 310 B7R2.13 C1CNC2C1C2 PB29591 [0,0,0,2,0,0|1,0,1]=4