0 B8R1.3 C1[C@@H](CC[C@@H](C1)F)N WX600019 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.3 CC1CCC(CC1)N WX604569 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.3 CN1CCC(CC1)N WX604561 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.3 CN1CCC(CC1)O WX642146 [0,0,0,0,0,0|1,0,2]=3 4 B8R1.3 C[C@@H]1CC[C@@H](CN1)O WX601064 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.3 C[C@@H]1CC[C@H](CN1)O WX601061 [0,0,0,0,0,0|1,0,2]=3 6 B8R1.3 C[C@@H]1CC[C@H](CN1)O WX601065 [0,0,0,0,0,0|1,0,2]=3 7 B8R1.3 C[C@H]1CC[C@@H](CN1)O WX601062 [0,0,0,0,0,0|1,0,2]=3 8 B8R1.3 C[C@H]1CC[C@H](CN1)O WX601063 [0,0,0,0,0,0|1,0,2]=3 9 B7R1.3 C1CC(=O)COC1 WX625057 [1,0,0,0,0,0|1,0,0]=2 10 B7R1.3 C1CC(COC1)O WX642095 [1,0,0,0,0,0|1,0,2]=4 11 B7R1.3 C1CCC(CC1)N WX604566 [1,0,0,0,0,0|1,0,1]=3 12 B7R1.3 C1CNC(=O)CN1 WX604543 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.3 C1CNCCC1=O WX604552 [1,0,0,0,0,0|1,0,0]=2 14 B7R1.3 C1COC(=O)C=C1 WX685450 [1,0,0,0,0,0|1,0,2]=4 15 B7R1.3 C1COCCC1I WXC01153 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.3 C1COCCC1N WX604186 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.3 C1CSCCC1O WXC04166 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 C1C[C@H](CNC1)O WX604192 [1,0,0,0,0,0|1,0,2]=4 19 B7R1.3 CC1CNCCO1 WX604548 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.3 CC1COCCN1 WX604493 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.3 C[C@@H]1COCCN1 WX604100 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.3 C[C@H]1COCCN1 WX604204 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.1 C1C(OCC(=O)N1)CN WXC00380 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.1 C1C(OCC(=O)N1)CN WXC00381 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.1 C1[C@@H](OCC(=O)N1)CO WXC00056 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.1 C1[C@H](OCC(=O)N1)CO WX640387 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.1 CC1CCC(CC1)CBr WX630126 [0,1,0,0,0,0|1,0,1]=3 28 B9R1.1 CC1CCC(CN1)CO WX601332 [0,1,0,0,0,0|1,0,2]=4 29 B9R1.1 CC1CCC(NC1)CO WX601352 [0,1,0,0,0,0|1,0,2]=4 30 B9R1.1 CN1CCC(CC1)CCl WX630239 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.1 CN1CCC(CC1)CN WX600099 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.1 CN[C@H]1CC[C@@H](CC1)O WX642054 [0,1,0,0,0,0|0,0,2]=3 33 B9R1.1 C[C@@H]1CC[C@@H](CN1)C#N WX604524 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.1 C[C@H]1CC[C@@H](CC1)CO WX640361 [0,1,0,0,0,0|0,0,2]=3 35 B9R1.10 C1CC(CCC1=O)(F)F WX625146 [0,1,0,0,0,0|1,0,0]=2 36 B9R1.10 C1CC(CCC1N)(F)F WX604293 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.10 C[C@]1(CC[C@@H](CC1)N)O WX600018 [0,1,0,0,0,0|1,0,1]=3 38 B9R1.10 C[C@]1(CC[C@H](CC1)N)O WX600017 [0,1,0,0,0,0|1,0,1]=3 39 B9R1.69 C1CC(=O)NC(=O)C1N WXC01464 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.3 COC(=O)CCCN WX600050 [0,0,1,0,0,0|2,0,0]=3 41 B9R2.49 C1CC2COC1CN2 WX604624 [0,0,0,1,0,0|1,0,2]=4 42 B7R1.2 C1C(COC1=O)N WXC01359 [0,0,0,0,1,0|2,0,0]=3 43 B7R1.2 C1C[C@@H](C[C@@H]1N)O WX600013 [0,0,0,0,1,0|1,0,2]=4 44 B7R1.2 C1C[C@@H](C[C@H]1N)O WX600233 [0,0,0,0,1,0|1,0,2]=4 45 B7R1.2 C1C[C@H](C[C@@H]1N)F WX601024 [0,0,0,0,1,0|2,0,1]=4 46 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600015 [0,0,0,0,1,0|1,0,2]=4 47 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600109 [0,0,0,0,1,0|1,0,2]=4 48 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600355 [0,0,0,0,1,0|1,0,2]=4 49 B7R1.2 C1C[C@H](C[C@H]1N)F WX601025 [0,0,0,0,1,0|2,0,1]=4 50 B7R1.2 C1C[C@H](C[C@H]1N)O WX600108 [0,0,0,0,1,0|1,0,2]=4 51 B7R1.2 C1C[C@H](C[C@H]1N)O WX600234 [0,0,0,0,1,0|1,0,2]=4 52 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [0,0,0,0,1,0|2,0,0]=3 53 B7R1.2 CC1CC(=O)NC1 WXC00781 [0,0,0,0,1,0|1,0,0]=2 54 B7R1.2 CN1CCC(C1)N WX604198 [0,0,0,0,1,0|2,0,1]=4 55 B7R1.2 CN1CCC(C1)O WX642149 [0,0,0,0,1,0|1,0,2]=4 56 B7R1.2 C[C@@H]1C[C@@H](CN1)F WX601109 [0,0,0,0,1,0|2,0,1]=4 57 B7R1.2 C[C@@H]1C[C@@H](CN1)O WX601206 [0,0,0,0,1,0|1,0,2]=4 58 B7R1.2 C[C@@H]1C[C@H](CN1)F WX601363 [0,0,0,0,1,0|2,0,1]=4 59 B7R1.2 C[C@@H]1C[C@H](CN1)O WX601205 [0,0,0,0,1,0|1,0,2]=4 60 B9R1.49 CN1CCCC(=O)CC1 WX625013 [0,0,0,0,0,1|1,0,0]=2 61 B6R0.1 CCNC(=O)CCl WX630212 [1,0,1,0,0,0|2,0,0]=4 62 B6R0.1 CNCC(=O)NC WX600331 [1,0,1,0,0,0|2,0,0]=4 63 B6R0.4 CC(=C)CCCBr WX630324 [1,0,1,0,0,0|2,0,0]=4 64 B6R0.4 CC(=C)CCCO WX640339 [1,0,1,0,0,0|2,0,0]=4 65 B6R1.1 C1CCNNC1 WX604649 [2,0,0,0,0,0|2,0,0]=4 66 B6R1.1 C1CCNNC1 WX604739 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.1 C1CCONC1 WX604297 [2,0,0,0,0,0|2,0,0]=4 68 B8R0.23 CC(C)N(C)CC(=O)O WX610392 [0,1,1,0,0,0|2,0,0]=4 69 B8R1.2 C1CCC(CC1)NN WX684016 [1,1,0,0,0,0|1,0,1]=4 70 B8R1.2 C1CCNC(C1)CO WX604355 [1,1,0,0,0,0|1,0,1]=4 71 B8R1.2 C1COCC(=C1)C=O WX622013 [1,1,0,0,0,0|1,0,1]=4 72 B8R1.2 C1COCCC1C#N WX683013 [1,1,0,0,0,0|1,0,1]=4 73 B8R1.2 C1COCCC1C=O WX620011 [1,1,0,0,0,0|1,0,1]=4 74 B8R1.2 C1COCCC1CBr WX630168 [1,1,0,0,0,0|1,0,0]=3 75 B8R1.2 C1COCCC1CI WX630021 [1,1,0,0,0,0|1,0,0]=3 76 B8R1.2 C1COCCC1CN WX600055 [1,1,0,0,0,0|1,0,0]=3 77 B8R1.2 C1COCCC1CO WX642077 [1,1,0,0,0,0|1,0,0]=3 78 B8R1.2 C1COCCC1NN WX684012 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.2 C1COCCC1NN WX684062 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.2 CCC1CCNCC1 WX604237 [1,1,0,0,0,0|1,0,0]=3 81 B8R1.2 COC1CCCNC1 WX604110 [1,1,0,0,0,0|1,0,1]=4 82 B8R1.4 C1C[C@@H](C[C@@H](C1)O)N WX600037 [1,1,0,0,0,0|0,0,2]=4 83 B8R1.4 C1C[C@@H](C[C@H](C1)O)N WX600039 [1,1,0,0,0,0|0,0,2]=4 84 B8R1.4 C1C[C@H](C[C@@H](C1)F)N WX601125 [1,1,0,0,0,0|1,0,1]=4 85 B8R1.4 C1C[C@H](C[C@@H](C1)O)N WX600038 [1,1,0,0,0,0|0,0,2]=4 86 B8R1.4 C1C[C@H](C[C@H](C1)N)N WX604751 [1,1,0,0,0,0|1,0,1]=4 87 B8R1.4 C1C[C@H](C[C@H](C1)O)N WX600036 [1,1,0,0,0,0|0,0,2]=4 88 B8R1.4 CC1CC(=O)CCN1 WX604553 [1,1,0,0,0,0|1,0,0]=3 89 B8R1.4 CC1CCCC(C1)N WX604179 [1,1,0,0,0,0|0,0,1]=3 90 B8R1.4 CC1CNCC(=O)N1 WX604173 [1,1,0,0,0,0|2,0,0]=4 91 B8R1.5 C1CCC(C(C1)N)F WX600027 [1,1,0,0,0,0|1,0,1]=4 92 B8R1.5 C1CC[C@H]([C@@H](C1)N)F WX600028 [1,1,0,0,0,0|1,0,1]=4 93 B8R1.5 C1CC[C@H]([C@@H](C1)N)O WX604197 [1,1,0,0,0,0|0,0,2]=4 94 B8R1.5 C1CNCC(C1F)O WX601247 [1,1,0,0,0,0|2,0,0]=4 95 B8R1.5 C1CNC[C@@H]([C@@H]1O)F WX601314 [1,1,0,0,0,0|2,0,0]=4 96 B8R1.5 C1CNC[C@H]([C@@H]1F)O WX601154 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.5 C1CNC[C@H]([C@@H]1O)F WX601313 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.5 C1COCC(C1=O)F WX630310 [1,1,0,0,0,0|1,0,0]=3 99 B8R1.5 C1COC[C@H]([C@@H]1O)N WX601403 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.5 CC1CCCCC1N WX604568 [1,1,0,0,0,0|0,0,1]=3 101 B8R1.5 CC1CNCCC1=O WX604251 [1,1,0,0,0,0|1,0,0]=3 102 B8R1.5 CC1CNCCC1=O WX604554 [1,1,0,0,0,0|1,0,0]=3 103 B8R1.5 CC1CNCCC1O WX604250 [1,1,0,0,0,0|1,0,1]=4 104 B8R1.5 CN1CCNCC1=O WX604203 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.5 C[C@@H]1CCNC[C@@H]1O WX601322 [1,1,0,0,0,0|1,0,0]=3 106 B8R1.5 C[C@@H]1CCNC[C@H]1F WX601381 [1,1,0,0,0,0|1,0,0]=3 107 B8R1.5 C[C@@H]1CCNC[C@H]1O WX601320 [1,1,0,0,0,0|1,0,0]=3 108 B8R1.72 C1CCS(=O)(=O)NC1 WX682914 [1,1,0,0,0,0|2,0,0]=4 109 B8R1.72 C1CNCCC1(F)F WXFC0117 [1,1,0,0,0,0|2,0,0]=4 110 B8R1.72 CC1(CCCCC1)N WX604176 [1,1,0,0,0,0|0,0,1]=3 111 B8R1.72 CC1(CCCCC1)N WX604567 [1,1,0,0,0,0|0,0,1]=3 112 B8R1.72 CC1(CCCNC1)F WX601337 [1,1,0,0,0,0|1,0,1]=4 113 B8R1.72 CC1(CCNCC1)F WX601336 [1,1,0,0,0,0|1,0,0]=3 114 B8R1.72 CC1(CCNCC1)O WX644002 [1,1,0,0,0,0|1,0,0]=3 115 B8R1.72 CC1(CCOCC1)N WX601053 [1,1,0,0,0,0|1,0,0]=3 116 B8R1.72 CC1(CCOCC1)O WX641208 [1,1,0,0,0,0|1,0,0]=3 117 B8R1.1 C1C(COC1=O)CO WX640247 [0,1,0,0,1,0|1,0,0]=3 118 B8R1.1 C1CC(=O)CC1C#N WX683083 [0,1,0,0,1,0|0,0,1]=3 119 B8R1.1 C1CC(=O)O[C@H]1CO WX640049 [0,1,0,0,1,0|1,0,0]=3 120 B8R1.1 C1CC(CC1CN)F WX601016 [0,1,0,0,1,0|1,0,1]=4 121 B8R1.1 C1CC(CC1CN)O WX601015 [0,1,0,0,1,0|0,0,2]=4 122 B8R1.1 C1C[C@H](C[C@@H]1CN)F WX601088 [0,1,0,0,1,0|1,0,1]=4 123 B8R1.1 CC1CCC(C1)CO WX641103 [0,1,0,0,1,0|0,0,2]=4 124 B8R1.1 CCC1COC(=O)N1 WX619211 [0,1,0,0,1,0|2,0,0]=4 125 B8R1.1 CN1CCC(C1)CO WX640126 [0,1,0,0,1,0|2,0,0]=4 126 B8R1.50 C1CC(=O)C(C1=O)Br WXC04141 [0,1,0,0,1,0|1,0,1]=4 127 B8R1.51 C1CS(=O)(=O)CC1=O WX625144 [0,1,0,0,1,0|2,0,0]=4 128 B8R1.51 C1CS(=O)(=O)CC1N WX601054 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.1 CN1CCC(CC1)CCN WX600308 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.3 C1CN(CCC1CO)C#N WX640239 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.13 CC(=O)N1CCC(=O)CC1 WX620033 [0,2,0,0,0,0|1,0,0]=3 132 B10R1.13 CC(=O)N1CCC(CC1)Br WX630240 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.13 CN1CCC(CC1)C(=O)N WX619167 [0,2,0,0,0,0|1,0,1]=4 134 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O WX611257 [0,2,0,0,0,0|0,0,1]=3 135 B10R1.63 CC1(CCC(=O)NC1=O)N WXC01479 [0,2,0,0,0,0|1,0,1]=4 136 B8R1.22 C1CC(=O)CCOC1 WXC02242 [0,0,1,1,0,0|1,0,0]=3 137 B8R1.22 C1CNC(=O)COC1 WX619937 [0,0,1,1,0,0|2,0,0]=4 138 B8R1.22 C1CNCC(=O)NC1 WX604239 [0,0,1,1,0,0|2,0,0]=4 139 B8R1.22 CC1CCCNCC1 WX604175 [0,0,1,1,0,0|1,0,1]=4 140 B8R1.22 CC1CCCNCC1 WX604556 [0,0,1,1,0,0|1,0,1]=4 141 B8R1.38 C1CN(C1)C(=O)CCl WX630209 [0,0,1,1,0,0|2,0,0]=4 142 B8R1.38 COC(=O)C1CNC1 WX604225 [0,0,1,1,0,0|2,0,0]=4 143 B8R1.38 COC(=O)[C@@H]1CCN1 WX604616 [0,0,1,1,0,0|2,0,0]=4 144 B8R1.23 C1C(CC1F)C(=O)O WX610015 [0,0,1,1,0,0|2,0,0]=4 145 B8R1.23 C1C(CC1O)C(=O)O WX610009 [0,0,1,1,0,0|2,0,0]=4 146 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O WX610012 [0,0,1,1,0,0|2,0,0]=4 147 B8R1.23 CC1CC(C1)C(=O)O WX610004 [0,0,1,1,0,0|1,0,0]=3 148 B8R1.23 CN1CC(C1)C(=O)O WX610403 [0,0,1,1,0,0|2,0,0]=4 149 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O WX610006 [0,0,1,1,0,0|1,0,0]=3 150 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O WX610005 [0,0,1,1,0,0|1,0,0]=3 151 B8R2.11 C1[C@@H]2[C@@H]([C@@H]2N)CO1 WXC04576 [1,0,0,1,0,0|2,0,0]=4 152 B8R2.11 C1[C@@H]2[C@@H]([C@H]2N)CO1 WXC03998 [1,0,0,1,0,0|2,0,0]=4 153 B8R2.18 C1C2C1CC(C2)O WXC00265 [1,0,0,1,0,0|0,0,2]=4 154 B8R2.18 C1[C@H]2[C@@H]1CC(=O)C2 WXC00264 [1,0,0,1,0,0|0,0,0]=2 155 B10R2.335 C1CC2(CCC1=O)CC2 WX625167 [0,1,0,1,0,0|0,0,0]=2 156 B10R2.314 CC1([C@H]2[C@@H]1CC(=O)C2)C WX625149 [0,1,0,1,0,0|0,0,0]=2 157 B10R2.314 CC1([C@H]2[C@@H]1C[C@@H](C2)O)C WX640383 [0,1,0,1,0,0|0,0,2]=4 158 B6R0.2 C[C@@H](CC(=O)O)N WX665057 [0,0,1,0,1,0|2,0,0]=4 159 B6R1.2 C1CNCC1F WX604452 [1,0,0,0,1,0|2,0,0]=4 160 B6R1.2 C1CNCC1O WX642147 [1,0,0,0,1,0|2,0,0]=4 161 B6R1.2 C1COCC1I WX630128 [1,0,0,0,1,0|2,0,0]=4 162 B6R1.2 C1COCC1N WX604190 [1,0,0,0,1,0|2,0,0]=4 163 B6R1.2 C1COC[C@@H]1O WX642080 [1,0,0,0,1,0|2,0,0]=4 164 B6R1.2 C1COC[C@H]1N WX604612 [1,0,0,0,1,0|2,0,0]=4 165 B6R1.2 C1CSCC1O WX642050 [1,0,0,0,1,0|2,0,0]=4 166 B6R1.2 CC1CCCN1 WX604546 [1,0,0,0,1,0|1,0,0]=3 167 B6R1.2 CC1CCNC1 WX604072 [1,0,0,0,1,0|1,0,0]=3 168 B6R1.2 CC1CCNC1 WX604545 [1,0,0,0,1,0|1,0,0]=3 169 B6R1.5 CC1CC(C1)N WX600002 [0,0,0,0,2,0|1,0,1]=4 170 B8R0.28 CC(C)CNCC(=O)O WXC00158 [0,0,1,0,0,1|1,0,0]=3