0 B7R1.3 C1CC(=O)CNC1 AB27650 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 C1CC(=O)CNC1 PB26241 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.3 C1CC(=O)COC1 PB27461 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.3 C1CC(=O)CSC1 PB28980 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.3 C1CC(CNC1)F PB33693 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 C1CC(CNC1)O PB27381 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 C1CC(CNC1)S PB34789 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 C1CC(COC1)Br MB04535 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 C1CC(COC1)N PB30901 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.3 C1CC(COC1)O PB32182 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 C1CCNC(C1)O MB03551 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,0,0,0,0,0|1,0,0]=1 13 B7R1.3 C1CNC(=O)CN1 PB23229 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.3 C1CNCCC1=O PB32095 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.3 C1CNCCC1Cl AB14164 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 C1CNCCC1F AB13264 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 C1CNCCC1F PB24811 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 C1CNCCC1N AB11093 [0,0,0,0,0,0|1,0,0]=1 19 B7R1.3 C1CNCCC1S PB26690 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.3 C1COC(=O)CN1 AB71646 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.3 C1COC(CN1)O CB11808 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 C1COCC(=O)N1 PB29100 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.3 C1COCC(=S)N1 AB72718 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.3 C1COCC=C1I AB69543 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.3 C1COCCC1=O PB24536 [0,0,0,0,0,0|2,0,1]=3 26 B7R1.3 C1COCCC1Br PB24975 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.3 C1COCCC1Cl AB02848 [0,0,0,0,0,0|2,0,0]=2 28 B7R1.3 C1COCCC1I PB13042 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.3 C1COCCC1N AB11128 [0,0,0,0,0,0|1,0,0]=1 30 B7R1.3 C1COCCC1N PB27421 [0,0,0,0,0,0|1,0,0]=1 31 B7R1.3 C1COCCC1O PB11583 [0,0,0,0,0,0|2,0,0]=2 32 B7R1.3 C1CSCCC1=O PB25896 [0,0,0,0,0,0|2,0,1]=3 33 B7R1.3 C1CSCCC1N AB32569 [0,0,0,0,0,0|1,0,0]=1 34 B7R1.3 C1C[C@@H](CNC1)F PB24269 [0,0,0,0,0,0|2,0,0]=2 35 B7R1.3 C1C[C@@H](CNC1)N AB15031 [0,0,0,0,0,0|1,0,0]=1 36 B7R1.3 C1C[C@@H](CNC1)O PB26394 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.3 C1C[C@H](CNC1)F PB38654 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.3 C1C[C@H](CNC1)N AB29962 [0,0,0,0,0,0|1,0,0]=1 39 B7R1.3 C1C[C@H](CNC1)O PB20930 [0,0,0,0,0,0|2,0,0]=2 40 B7R1.3 C1C[C@H](CNC1)O PB25197 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.3 CC1CCCNC1 AB00557 [0,0,0,0,0,0|2,0,0]=2 42 B7R1.3 CC1CNCCO1 PB23610 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.3 CC1COCCN1 AB49614 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.3 C[C@@H]1CNCCN1 AB04653 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.3 C[C@H]1CNCCN1 AB04288 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.3 C[C@H]1CNCCN1 AB14223 [0,0,0,0,0,0|3,0,0]=3 49 B7R1.3 C[C@H]1CNCCN1 AB63406 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,0,0,0,0,0|3,0,0]=3 51 B7R1.3 C[C@H]1COCCN1 AB16412 [0,0,0,0,0,0|3,0,0]=3 52 B6R1.1 C1CNCC=C1 PB15670 [1,0,0,0,0,0|1,0,2]=4 53 B8R1.2 C#CC1CCCNC1 PB26666 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.2 C#CC1CCCOC1 PB11321 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.2 C#CC1CCNCC1 PB19413 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.2 C#CC1CCOCC1 PB24300 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.2 C#CC1CCSCC1 PB39036 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.2 C#CC1COCCO1 AB73245 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.2 C1CC(CNC1)C#N AB09048 [0,1,0,0,0,0|1,0,1]=3 60 B8R1.2 C1CC(CNC1)C#N PB31344 [0,1,0,0,0,0|1,0,1]=3 61 B8R1.2 C1CC(CNC1)CN AB17390 [0,1,0,0,0,0|1,0,0]=2 62 B8R1.2 C1CC(CNC1)CO PB21599 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.2 C1CC(COC1)C=O AB16155 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.2 C1CC(COC1)CBr PB14565 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.2 C1CC(COC1)CN PB23481 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.2 C1CC(COC1)CO PB12514 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.2 C1CCC(=CC1)CBr PB28658 [0,1,0,0,0,0|1,0,2]=4 68 B8R1.2 C1CCN(CC1)CCl AB16725 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.2 C1CCNC(C1)C#N AB13841 [0,1,0,0,0,0|1,0,1]=3 70 B8R1.2 C1CCNC(C1)C=O AB52540 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.2 C1CCOC(C1)C=O MB05934 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.2 C1CCOC(C1)CBr MB00206 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.2 C1CCOC(C1)CN AB28292 [0,1,0,0,0,0|1,0,0]=2 74 B8R1.2 C1CCOC(C1)CO AB00784 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.2 C1CNCCC1C#N PB14665 [0,1,0,0,0,0|1,0,1]=3 76 B8R1.2 C1CNCCC1C=O AB52543 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.2 C1CNCCC1CBr AB52518 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.2 C1CNCCC1CBr MB02967 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.2 C1CNCCC1CF PB14869 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.2 C1CNCCC1CO PB10118 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.2 C1COC(CN1)C#N MB01840 [0,1,0,0,0,0|2,0,1]=4 82 B8R1.2 C1COC(CN1)CN PB15765 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.2 C1COC(CO1)CCl AB10617 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.2 C1COC(CO1)CN AB10620 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.2 C1COCC(N1)C#N AB53762 [0,1,0,0,0,0|2,0,1]=4 86 B8R1.2 C1COCC(N1)CO AB17137 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.2 C1COCCC1=NO AB55822 [0,1,0,0,0,0|1,0,2]=4 88 B8R1.2 C1COCCC1C#N PB20297 [0,1,0,0,0,0|1,0,1]=3 89 B8R1.2 C1COCCC1C=O AB14645 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.2 C1COCCC1CBr PB20063 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.2 C1COCCC1CCl AB71513 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.2 C1COCCC1CI PB24898 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.2 C1COCCC1CN AB14272 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.2 C1COCCC1CN PB27569 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.2 C1COCCC1CO PB18487 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.2 C1COCCC1NN PB16645 [0,1,0,0,0,0|1,0,0]=2 97 B8R1.2 C1COCCN1C#N MB00186 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.2 C1COCCN1CCl AB16667 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.2 C1COC[C@@H](N1)CN AB71789 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.2 C1COC[C@@H](N1)CO AB29968 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.2 C1CSCCC1C#N PB29580 [0,1,0,0,0,0|1,0,1]=3 102 B8R1.2 C1CSCCC1C=O AB14650 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.2 C1CSCCC1CN PB35740 [0,1,0,0,0,0|1,0,0]=2 104 B8R1.2 C1CSCCC1CO PB28111 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.2 C1C[C@@H](CNC1)C#N PB37391 [0,1,0,0,0,0|1,0,1]=3 106 B8R1.2 C1C[C@H](CNC1)C#N PB37352 [0,1,0,0,0,0|1,0,1]=3 107 B8R1.2 CCC1CNCCN1 AB13949 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.2 CCC1CNCCO1 AB49621 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.2 CCC1COCCN1 AB49617 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.2 CNC1CCNCC1 PB15642 [0,1,0,0,0,0|1,0,0]=2 112 B8R1.2 CNC1CCOCC1 PB29392 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.2 COC1CCCNC1 PB14414 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.2 COC1CCNCC1 PB10390 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.2 COC1CCNCC1 PB34075 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.2 CO[C@H]1CCCNC1 PB13690 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.2 CO[C@H]1CCCNC1 PB31836 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.2 CSC1CCNCC1 PB22682 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.3 C1C(OCC(O1)O)O PB11588 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.3 C1CC(=O)CCC1N AB26267 [0,1,0,0,0,0|0,0,1]=2 123 B8R1.3 C1CC(=O)NCC1N PB22229 [0,1,0,0,0,0|1,0,1]=3 124 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N AB30937 [0,1,0,0,0,0|0,0,0]=1 125 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O PB27420 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.3 C1[C@@H](CC[C@H](C1)O)N AB02731 [0,1,0,0,0,0|0,0,0]=1 127 B8R1.3 C1[C@@H](CC[C@H](C1)O)O AB02551 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.3 CC1CNC(CO1)C AB55657 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.3 CN1CCC(CC1)Cl AB01976 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.3 CN1CCC(CC1)N PB32253 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.3 CN1CCC(CC1)O PB18398 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.3 C[C@@H]1CN[C@@H](CN1)C AB48053 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.3 C[C@@H]1CN[C@H](CN1)C AB02818 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.4 C1CNC(=O)CC1N PB11631 [0,1,0,0,0,0|1,0,1]=3 135 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,0,0,0|2,0,1]=4 137 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.4 CC1CC(CCN1)O PB10241 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.4 CC1CC(CCO1)O PB22789 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.4 CC1COCC(N1)C AB02607 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.4 CN1CCCC(C1)N PB12415 [0,1,0,0,0,0|1,0,0]=2 143 B8R1.4 CN1CCCC(C1)O PB17042 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.4 CN1CCC[C@@H](C1)N PB25450 [0,1,0,0,0,0|1,0,0]=2 145 B8R1.4 CN1CCC[C@@H](C1)N PB28836 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.4 CN1CCC[C@H](C1)N PB33333 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.4 CN1CCC[C@H](C1)O PB31692 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,0,0,0|2,0,1]=4 150 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.4 C[C@@H]1CNC[C@@H](N1)C PB23510 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.4 C[C@@H]1CNC[C@H](N1)C AB48105 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.4 C[C@@H]1COC[C@@H](N1)C PB22631 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,0,0,0|2,0,1]=4 159 B8R1.4 C[C@H]1CNC[C@@H](N1)C AB48104 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.4 C[C@H]1COC[C@@H](N1)C MB13620 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,1,0,0,0,0|1,0,1]=3 165 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,1,0,0,0,0|0,0,0]=1 166 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,1,0,0,0,0|0,0,0]=1 167 B8R1.5 C1CC[C@H]([C@@H](C1)N)N AB07531 [0,1,0,0,0,0|0,0,0]=1 168 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,1,0,0,0,0|0,0,0]=1 169 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,1,0,0,0,0|0,0,0]=1 170 B8R1.5 C1CNCC(C1=O)F PB20587 [0,1,0,0,0,0|2,0,1]=4 171 B8R1.5 C1CNC[C@H]([C@@H]1F)F PB37354 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.5 C1CNC[C@H]([C@@H]1F)O PB30506 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.5 C1CNC[C@H]([C@@H]1O)F PB36818 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.5 C1CNC[C@H]([C@H]1F)F PB38218 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.5 C1CNC[C@H]([C@H]1O)F PB38663 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.5 C1COCC(C1=O)Br PB18064 [0,1,0,0,0,0|2,0,1]=4 177 B8R1.5 C1COCC(C1=O)F PB28362 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [0,1,0,0,0,0|1,0,0]=2 179 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [0,1,0,0,0,0|1,0,0]=2 181 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,1,0,0,0,0|1,0,1]=3 183 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,1,0,0,0,0|1,0,1]=3 184 B8R1.5 CC1C(NCCN1)C AB36996 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.5 CC1C(OCCN1)C AB72725 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.5 CC1CCNCC1=O PB36769 [0,1,0,0,0,0|2,0,1]=4 187 B8R1.5 CC1CCNCC1O PB36981 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.5 CC1CNCCC1=O PB23474 [0,1,0,0,0,0|2,0,1]=4 189 B8R1.5 CC1COCCC1=O PB26907 [0,1,0,0,0,0|2,0,1]=4 190 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [0,1,0,0,0,0|1,0,0]=2 194 B8R1.5 C[C@@H]1[C@H](NCCN1)C AB36998 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,1,0,0,0,0|2,0,0]=3 196 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [0,1,0,0,0,0|1,0,0]=2 197 B8R1.5 C[C@H]1[C@@H](NCCN1)C AB36997 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.72 C1CC(CNC1)(F)F PB23351 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.72 C1CCS(=O)(=O)NC1 AB17207 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.72 C1CNCCC1(F)F PB29234 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.72 C1CS(=O)(=O)CCN1 PB18693 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.72 C1CS(=O)(=O)CCN1 PB21955 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.72 CC1(CCCCN1)C AB58454 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.72 CC1(CCCNC1)O PB32801 [0,1,0,0,0,0|2,0,0]=3 205 B8R1.72 CC1(CCNCC1)C AB17027 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.72 CC1(CCNCC1)C PB14098 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.72 CC1(CCNCC1)N AB48443 [0,1,0,0,0,0|1,0,0]=2 208 B8R1.72 CC1(CCNCC1)O PB10877 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.72 CC1(CCNCC1)O PB32903 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.72 CC1(CCOCC1)N PB22590 [0,1,0,0,0,0|1,0,0]=2 211 B8R1.72 CC1(CNCCN1)C AB29948 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.72 CC1(CNCCO1)C AB51044 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.72 CC1(COCCN1)C AB50978 [0,1,0,0,0,0|3,0,0]=4 214 B6R0.1 COCC(CO)N AB24949 [0,0,1,0,0,0|2,0,0]=3 215 B6R0.4 CN(C)CCCBr AB52731 [0,0,1,0,0,0|3,0,0]=4 216 B6R0.6 CCCNCCC AB02251 [0,0,1,0,0,0|2,0,0]=3 217 B6R0.6 COCCCON MB19791 [0,0,1,0,0,0|2,0,0]=3 218 B8R2.11 C1C2C(C2N)CN1 AB20675 [0,0,0,1,0,0|1,0,0]=2 219 B8R2.11 C1[C@@H]2[C@@H]([C@H]2O)CN1 PB28802 [0,0,0,1,0,0|2,0,0]=3 220 B8R2.18 C1C2C1CC(C2)N PB21479 [0,0,0,1,0,0|0,0,0]=1 221 B8R2.25 C1CNCC2C1C2 PB26945 [0,0,0,1,0,0|2,0,0]=3 222 B8R2.34 C1C[C@@H]2C[C@H]1CN2 MB03646 [0,0,0,1,0,0|2,0,0]=3 223 B8R2.34 C1[C@@H]2CN[C@H]1CN2 AB62663 [0,0,0,1,0,0|3,0,0]=4 224 B8R2.34 C1[C@@H]2CN[C@H]1CO2 AB63562 [0,0,0,1,0,0|3,0,0]=4 225 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB19618 [0,0,0,1,0,0|3,0,0]=4 226 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB35087 [0,0,0,1,0,0|3,0,0]=4 227 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB11680 [0,0,0,1,0,0|3,0,0]=4 228 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB12929 [0,0,0,1,0,0|3,0,0]=4 229 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB19914 [0,0,0,1,0,0|0,0,0]=1 230 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB27446 [0,0,0,1,0,0|0,0,0]=1 231 B6R1.2 C1C=CCC1N CB10532 [0,0,0,0,1,0|0,0,2]=3 232 B6R1.2 C1CNCC1=O PB21807 [0,0,0,0,1,0|2,0,1]=4 233 B6R1.2 C1CNCC1F AB27153 [0,0,0,0,1,0|2,0,0]=3 234 B6R1.2 C1CNCC1F PB27633 [0,0,0,0,1,0|2,0,0]=3 235 B6R1.2 C1CNCC1O PB24775 [0,0,0,0,1,0|2,0,0]=3 236 B6R1.2 C1CNC[C@@H]1F AB27158 [0,0,0,0,1,0|2,0,0]=3 237 B6R1.2 C1CNC[C@@H]1F PB23386 [0,0,0,0,1,0|2,0,0]=3 238 B6R1.2 C1CNC[C@@H]1N AB02820 [0,0,0,0,1,0|1,0,0]=2 239 B6R1.2 C1CNC[C@@H]1O PB17129 [0,0,0,0,1,0|2,0,0]=3 240 B6R1.2 C1CNC[C@@H]1O PB18456 [0,0,0,0,1,0|2,0,0]=3 241 B6R1.2 C1CNC[C@H]1F AB27154 [0,0,0,0,1,0|2,0,0]=3 242 B6R1.2 C1CNC[C@H]1F PB20102 [0,0,0,0,1,0|2,0,0]=3 243 B6R1.2 C1CNC[C@H]1N AB02823 [0,0,0,0,1,0|1,0,0]=2 244 B6R1.2 C1CNC[C@H]1O PB30638 [0,0,0,0,1,0|2,0,0]=3 245 B6R1.2 C1CNC[C@H]1O PB32171 [0,0,0,0,1,0|2,0,0]=3 246 B6R1.2 C1COCC1=O PB17440 [0,0,0,0,1,0|2,0,1]=4 247 B6R1.2 C1COCC1Br PB20333 [0,0,0,0,1,0|2,0,0]=3 248 B6R1.2 C1COCC1I PB14773 [0,0,0,0,1,0|2,0,0]=3 249 B6R1.2 C1COCC1N PB27801 [0,0,0,0,1,0|1,0,0]=2 250 B6R1.2 C1COCC1O PB24525 [0,0,0,0,1,0|2,0,0]=3 251 B6R1.2 C1COC[C@@H]1I PB34863 [0,0,0,0,1,0|2,0,0]=3 252 B6R1.2 C1COC[C@@H]1N PB10514 [0,0,0,0,1,0|1,0,0]=2 253 B6R1.2 C1COC[C@@H]1O PB17096 [0,0,0,0,1,0|2,0,0]=3 254 B6R1.2 C1COC[C@H]1I PB22839 [0,0,0,0,1,0|2,0,0]=3 255 B6R1.2 C1COC[C@H]1N PB18852 [0,0,0,0,1,0|1,0,0]=2 256 B6R1.2 C1COC[C@H]1O PB25950 [0,0,0,0,1,0|2,0,0]=3 257 B6R1.2 CC1CCCN1 AB44503 [0,0,0,0,1,0|2,0,0]=3 258 B6R1.2 CC1CCNC1 AB41901 [0,0,0,0,1,0|2,0,0]=3 259 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,0,0,0,1,0|2,0,0]=3 260 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,0,0,0,1,0|2,0,0]=3 261 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,0,0,0,1,0|2,0,0]=3 262 B6R1.2 C[C@H]1CCCN1 AB29489 [0,0,0,0,1,0|2,0,0]=3 263 B6R1.2 C[C@H]1CCNC1 AB29522 [0,0,0,0,1,0|2,0,0]=3 264 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,0,0,0,0,1|1,0,1]=3 265 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,0,0,0,0,1|1,0,1]=3 266 B8R1.22 C1CC(CCNC1)F PB33307 [0,0,0,0,0,1|1,0,0]=2 267 B8R1.22 C1CC(CCNC1)O PB18652 [0,0,0,0,0,1|1,0,0]=2 268 B8R1.22 C1CC(CCOC1)N AB70734 [0,0,0,0,0,1|0,0,0]=1 269 B8R1.22 C1CCNCC(C1)N AB11528 [0,0,0,0,0,1|0,0,0]=1 270 B8R1.22 C1CCNC[C@@H](C1)N PB20876 [0,0,0,0,0,1|0,0,0]=1 271 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,0,0,0,0,1|2,0,1]=4 272 B8R1.22 C1CNCCNC1=O AB07054 [0,0,0,0,0,1|2,0,1]=4 273 B8R1.22 CC1CCNCCN1 PB17623 [0,0,0,0,0,1|2,0,0]=3 274 B8R1.22 C[C@H]1CNCCCN1 AB72341 [0,0,0,0,0,1|2,0,0]=3 275 B5R0.2 C(CC#N)CN AB52761 [1,0,1,0,0,0|1,0,1]=4 276 B5R0.2 COCCON MB08235 [1,0,1,0,0,0|2,0,0]=4 277 B7R0.2 CCC(CC(=O)O)N AB01525 [0,1,1,0,0,0|1,0,1]=4 278 B7R0.5 CC(C)C(CCO)N AB31007 [0,1,1,0,0,0|1,0,0]=3 279 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,1,1,0,0,0|1,0,1]=4 280 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,1,1,0,0,0|1,0,1]=4 281 B7R0.10 C([C@@H]([C@H](CO)N)N)O MB06933 [0,1,1,0,0,0|2,0,0]=4 282 B7R0.10 C([C@H]([C@@H](CO)N)N)O MB06944 [0,1,1,0,0,0|2,0,0]=4 283 B7R0.10 CCC(C(=O)OC)N AB16757 [0,1,1,0,0,0|1,0,1]=4 284 B7R0.1 CNCCCCC=C CB11323 [0,1,1,0,0,0|0,0,2]=4 285 B7R1.1 C#CC1CCOC1 PB28898 [0,1,0,0,1,0|2,0,0]=4 286 B7R1.1 C1CC(NC1)C#N PB19916 [0,1,0,0,1,0|1,0,1]=4 287 B7R1.1 C1CC(OC1)CI AB24846 [0,1,0,0,1,0|2,0,0]=4 288 B7R1.1 C1CC(OC1)CN AB00408 [0,1,0,0,1,0|1,0,0]=3 289 B7R1.1 C1CCC(C1)C=O AB02400 [0,1,0,0,1,0|1,0,0]=3 290 B7R1.1 C1CCC(C1)CBr AB50196 [0,1,0,0,1,0|1,0,0]=3 291 B7R1.1 C1CCC(C1)CI AB15507 [0,1,0,0,1,0|1,0,0]=3 292 B7R1.1 C1CCC(C1)CN AB17884 [0,1,0,0,1,0|0,0,0]=2 293 B7R1.1 C1CNCC1C#N PB12572 [0,1,0,0,1,0|1,0,1]=4 294 B7R1.1 C1CNCC1CO PB15896 [0,1,0,0,1,0|2,0,0]=4 295 B7R1.1 C1CNCC1CO PB31387 [0,1,0,0,1,0|2,0,0]=4 296 B7R1.1 C1CNC[C@@H]1C#N PB25426 [0,1,0,0,1,0|1,0,1]=4 297 B7R1.1 C1CNC[C@@H]1CO PB12644 [0,1,0,0,1,0|2,0,0]=4 298 B7R1.1 C1CNC[C@@H]1CO PB19010 [0,1,0,0,1,0|2,0,0]=4 299 B7R1.1 C1CNC[C@H]1C#N PB10931 [0,1,0,0,1,0|1,0,1]=4 300 B7R1.1 C1CNC[C@H]1CO PB31350 [0,1,0,0,1,0|2,0,0]=4 301 B7R1.1 C1CNC[C@H]1CO PB32765 [0,1,0,0,1,0|2,0,0]=4 302 B7R1.1 C1COCC1C#N PB22187 [0,1,0,0,1,0|1,0,1]=4 303 B7R1.1 C1COCC1CBr PB10518 [0,1,0,0,1,0|2,0,0]=4 304 B7R1.1 C1COCC1CCl MB04735 [0,1,0,0,1,0|2,0,0]=4 305 B7R1.1 C1COCC1CI PB23453 [0,1,0,0,1,0|2,0,0]=4 306 B7R1.1 C1COCC1CN PB10526 [0,1,0,0,1,0|1,0,0]=3 307 B7R1.1 C1COCC1CO PB30586 [0,1,0,0,1,0|2,0,0]=4 308 B7R1.1 C1COC[C@@H]1C#N PB19741 [0,1,0,0,1,0|1,0,1]=4 309 B7R1.1 C1COC[C@@H]1CN PB15453 [0,1,0,0,1,0|1,0,0]=3 310 B7R1.1 C1COC[C@@H]1CO PB30186 [0,1,0,0,1,0|2,0,0]=4 311 B7R1.1 C1COC[C@H]1C#N PB11493 [0,1,0,0,1,0|1,0,1]=4 312 B7R1.1 C1COC[C@H]1CN PB18204 [0,1,0,0,1,0|1,0,0]=3 313 B7R1.1 C1COC[C@H]1CO PB34870 [0,1,0,0,1,0|2,0,0]=4 314 B7R1.1 C1C[C@@H](NC1)C#N PB20041 [0,1,0,0,1,0|1,0,1]=4 315 B7R1.1 C1C[C@@H](NC1)C#N PB30023 [0,1,0,0,1,0|1,0,1]=4 316 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,1,0,0,1,0|2,0,0]=4 317 B7R1.1 C1C[C@H](NC1)C#N PB29383 [0,1,0,0,1,0|1,0,1]=4 318 B7R1.1 C1C[C@H](NC1)CF PB15907 [0,1,0,0,1,0|2,0,0]=4 319 B7R1.1 C1C[C@H](NC1)CN PB13488 [0,1,0,0,1,0|1,0,0]=3 320 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,1,0,0,1,0|2,0,0]=4 321 B7R1.1 CCC1CCCN1 AB12042 [0,1,0,0,1,0|2,0,0]=4 322 B7R1.1 CCC1CCNC1 AB41905 [0,1,0,0,1,0|2,0,0]=4 323 B7R1.1 CC[C@@H]1CCNC1 AB74297 [0,1,0,0,1,0|2,0,0]=4 324 B7R1.1 CNC1CCOC1 PB17482 [0,1,0,0,1,0|1,0,0]=3 325 B7R1.1 CN[C@@H]1CCOC1 PB30485 [0,1,0,0,1,0|1,0,0]=3 326 B7R1.1 CN[C@H]1CCOC1 PB11771 [0,1,0,0,1,0|1,0,0]=3 327 B7R1.1 COC1CCNC1 PB31357 [0,1,0,0,1,0|2,0,0]=4 328 B7R1.1 CO[C@@H]1CCNC1 PB20659 [0,1,0,0,1,0|2,0,0]=4 329 B7R1.1 CO[C@@H]1CCNC1 PB26535 [0,1,0,0,1,0|2,0,0]=4 330 B7R1.1 CO[C@H]1CCNC1 PB10788 [0,1,0,0,1,0|2,0,0]=4 331 B7R1.2 C1C(CNC1=O)N PB17844 [0,1,0,0,1,0|1,0,1]=4 332 B7R1.2 C1CC(CC1N)O PB13684 [0,1,0,0,1,0|0,0,0]=2 333 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [0,1,0,0,1,0|0,0,0]=2 334 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [0,1,0,0,1,0|0,0,0]=2 335 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [0,1,0,0,1,0|0,0,0]=2 336 B7R1.2 CN1CCC(C1)Br AB65769 [0,1,0,0,1,0|2,0,0]=4 337 B7R1.2 CN1CCC(C1)N PB22385 [0,1,0,0,1,0|1,0,0]=3 338 B7R1.2 CN1CCC(C1)O PB32059 [0,1,0,0,1,0|2,0,0]=4 339 B7R1.2 CN1CC[C@@H](C1)N PB14641 [0,1,0,0,1,0|1,0,0]=3 340 B7R1.2 CN1CC[C@H](C1)N PB34450 [0,1,0,0,1,0|1,0,0]=3 341 B7R1.2 CN1CC[C@H](C1)O PB17320 [0,1,0,0,1,0|2,0,0]=4 342 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,1,0,0,1,0|1,0,1]=4 343 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,1,0,0,1,0|1,0,1]=4 344 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,1,0,0,1,0|0,0,0]=2 345 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,1,0,0,1,0|0,0,0]=2 346 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,1,0,0,1,0|0,0,0]=2 347 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,1,0,0,1,0|0,0,0]=2 348 B7R1.4 C1[C@@H]([C@H](CN1)F)F PB37373 [0,1,0,0,1,0|2,0,0]=4 349 B7R1.4 C1[C@@H]([C@H](CN1)O)O PB16044 [0,1,0,0,1,0|2,0,0]=4 350 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38160 [0,1,0,0,1,0|1,0,0]=3 351 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38162 [0,1,0,0,1,0|1,0,0]=3 352 B7R1.4 C1[C@H]([C@@H](CN1)F)O PB36321 [0,1,0,0,1,0|2,0,0]=4 353 B7R1.4 C1[C@H]([C@@H](CN1)O)O PB26398 [0,1,0,0,1,0|2,0,0]=4 354 B7R1.4 C1[C@H]([C@@H](CO1)N)N PB19676 [0,1,0,0,1,0|1,0,0]=3 355 B7R1.4 C1[C@H]([C@H](CN1)F)F PB36231 [0,1,0,0,1,0|2,0,0]=4 356 B7R1.4 C1[C@H]([C@H](CN1)O)O PB35093 [0,1,0,0,1,0|2,0,0]=4 357 B7R1.4 C1[C@H]([C@H](CO1)N)N PB18249 [0,1,0,0,1,0|1,0,0]=3 358 B7R1.14 C1CNCC1(F)F AB49393 [0,1,0,0,1,0|2,0,0]=4 359 B7R1.14 C1CNCC1(F)F PB20854 [0,1,0,0,1,0|2,0,0]=4 360 B7R1.14 CC1(CCCN1)C PB25045 [0,1,0,0,1,0|2,0,0]=4 361 B7R1.14 CC1(CCNC1)C PB14755 [0,1,0,0,1,0|2,0,0]=4 362 B7R1.14 CC1(CCNC1)O PB19348 [0,1,0,0,1,0|2,0,0]=4 363 B7R1.14 CC1(CCOC1)N PB13539 [0,1,0,0,1,0|1,0,0]=3 364 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [0,1,0,0,0,1|0,0,0]=2 365 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [0,1,0,0,0,1|0,0,0]=2 366 B9R1.48 CN1CCCCC(C1)N MB07245 [0,1,0,0,0,1|0,0,0]=2 367 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,1,0,0,0,1|1,0,1]=4 368 B9R1.49 CN1CCCC(CC1)N PB18198 [0,1,0,0,0,1|0,0,0]=2 369 B9R1.49 CN1CCCC(CC1)O PB20925 [0,1,0,0,0,1|1,0,0]=3 370 B9R1.89 C1CC(CCNC1)C#N PB37104 [0,1,0,0,0,1|0,0,1]=3 371 B9R1.89 COC1CCCNCC1 PB16681 [0,1,0,0,0,1|1,0,0]=3 372 B9R1.148 C1CC(CCNC1)(F)F PB23930 [0,1,0,0,0,1|1,0,0]=3 373 B9R1.148 CC1(CCCNCC1)O PB34852 [0,1,0,0,0,1|1,0,0]=3 374 B9R1.1 C1CC(=O)CCC1C=O AB21200 [0,2,0,0,0,0|1,0,1]=4 375 B9R1.1 C1CC(CCC1CO)O CB11469 [0,2,0,0,0,0|1,0,0]=3 376 B9R1.1 C1[C@@H](CC[C@@H](C1)N)CO PB25585 [0,2,0,0,0,0|0,0,0]=2 377 B9R1.1 C1[C@@H](CC[C@H](C1)N)CO PB15013 [0,2,0,0,0,0|0,0,0]=2 378 B9R1.1 CCN1CCC(CC1)O MB00190 [0,2,0,0,0,0|2,0,0]=4 379 B9R1.1 CN1CCC(CC1)C#C AB66602 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.1 CN1CCC(CC1)CN PB21868 [0,2,0,0,0,0|1,0,0]=3 381 B9R1.1 CN1CCC(CC1)CO PB30760 [0,2,0,0,0,0|2,0,0]=4 382 B9R1.1 CN1CCC(CC1)[Mg]Cl AB60813 [0,2,0,0,0,0|2,0,0]=4 383 B9R1.1 CN[C@H]1CC[C@@H](CC1)O PB13112 [0,2,0,0,0,0|0,0,0]=2 384 B9R1.1 CN[C@H]1CC[C@H](CC1)O PB22804 [0,2,0,0,0,0|0,0,0]=2 385 B9R1.1 C[C@@H]1CC[C@H](CN1)CO PB27191 [0,2,0,0,0,0|2,0,0]=4 386 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,2,0,0,0,0|1,0,1]=4 387 B9R1.2 CN1CCCC(C1)CN PB34157 [0,2,0,0,0,0|1,0,0]=3 388 B9R1.2 CN1CCC[C@@H](C1)CN PB16944 [0,2,0,0,0,0|1,0,0]=3 389 B9R1.2 CN1CCC[C@H](C1)CN PB11507 [0,2,0,0,0,0|1,0,0]=3 390 B9R1.6 B(C1CCCCC1)(O)O AB08478 [0,2,0,0,0,0|1,0,0]=3 391 B9R1.6 B(C1CCOCC1)(O)O AB32598 [0,2,0,0,0,0|2,0,0]=4 392 B9R1.6 C1CC(CNC1)C(=O)N PB19847 [0,2,0,0,0,0|1,0,0]=3 393 B9R1.6 C1CC(COC1)C(=O)O PB24847 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.6 C1CCNC(C1)C(=O)N AB21908 [0,2,0,0,0,0|1,0,0]=3 396 B9R1.6 C1CCNC(C1)C(F)F AB85531 [0,2,0,0,0,0|2,0,0]=4 397 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,2,0,0,0,0|2,0,0]=4 398 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,2,0,0,0,0|2,0,0]=4 399 B9R1.6 C1CN(CCN1)C(=N)N AB44214 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.6 C1CNCCC1C(=N)N AB22053 [0,2,0,0,0,0|1,0,0]=3 401 B9R1.6 C1CNCCC1C(=O)N PB25917 [0,2,0,0,0,0|1,0,0]=3 402 B9R1.6 C1CNCCC1C(=O)O AB00566 [0,2,0,0,0,0|2,0,0]=4 403 B9R1.6 C1CNCCC1C(F)F PB13858 [0,2,0,0,0,0|2,0,0]=4 404 B9R1.6 C1COCCC1C(=N)N PB32880 [0,2,0,0,0,0|1,0,0]=3 405 B9R1.6 C1COCCC1C(=O)O PB14093 [0,2,0,0,0,0|2,0,0]=4 406 B9R1.6 C1CSCCC1C(=O)O PB25232 [0,2,0,0,0,0|2,0,0]=4 407 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB11551 [0,2,0,0,0,0|1,0,0]=3 408 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB31846 [0,2,0,0,0,0|1,0,0]=3 409 B9R1.6 C1C[C@@H](CNC1)C(=O)O PB29158 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.6 C1C[C@H](CNC1)C(=O)N PB24496 [0,2,0,0,0,0|1,0,0]=3 411 B9R1.6 C1C[C@H](CNC1)C(=O)N PB31844 [0,2,0,0,0,0|1,0,0]=3 412 B9R1.6 C1C[C@H](CNC1)C(=O)O PB30681 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.6 CC(C)C1CCCCN1 AB12062 [0,2,0,0,0,0|2,0,0]=4 414 B9R1.8 C#CCC1CCOCC1 AB85640 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.8 C#CCN1CCCCC1 AB06369 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.8 C1CC(COC1)CC#N MB05839 [0,2,0,0,0,0|1,0,1]=4 417 B9R1.8 C1CC(COC1)CCN MB05843 [0,2,0,0,0,0|1,0,0]=3 418 B9R1.8 C1CCC(CC1)CC#N AB02345 [0,2,0,0,0,0|0,0,1]=3 419 B9R1.8 C1CCC(CC1)CC=O MB02401 [0,2,0,0,0,0|1,0,0]=3 420 B9R1.8 C1CCC(CC1)CCN AB02346 [0,2,0,0,0,0|0,0,0]=2 421 B9R1.8 C1CCC(CC1)CCN AB09885 [0,2,0,0,0,0|0,0,0]=2 422 B9R1.8 C1CCC(CC1)CNN AB23600 [0,2,0,0,0,0|0,0,0]=2 423 B9R1.8 C1CCC(CC1)N=C=O AB00329 [0,2,0,0,0,0|0,0,1]=3 424 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [0,2,0,0,0,0|2,0,0]=4 425 B9R1.8 C1CCOC(C1)CC#N MB05835 [0,2,0,0,0,0|1,0,1]=4 426 B9R1.8 C1CCOC(C1)CCN AB28415 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.8 C1COCCC1CC#N AB21392 [0,2,0,0,0,0|1,0,1]=4 428 B9R1.8 C1COCCC1CC=O PB20812 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.8 C1COCCC1CCBr AB52526 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.8 C1COCCC1CCI AB69545 [0,2,0,0,0,0|2,0,0]=4 431 B9R1.8 C1COCCC1CCN AB14269 [0,2,0,0,0,0|1,0,0]=3 432 B9R1.8 C1COCCC1CCN PB34023 [0,2,0,0,0,0|1,0,0]=3 433 B9R1.8 C1COCCC1CCO PB27428 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.8 C1COCCC1N=C=O AB70499 [0,2,0,0,0,0|1,0,1]=4 435 B9R1.8 C1CSCCC1CC=O AB14652 [0,2,0,0,0,0|2,0,0]=4 436 B9R1.8 C1CSCCN1CCN AB11122 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.8 CCOC1CCNCC1 AB30382 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.8 CNCC1CCCCO1 AB45928 [0,2,0,0,0,0|1,0,0]=3 439 B9R1.8 CNCC1CCNCC1 AB28325 [0,2,0,0,0,0|1,0,0]=3 440 B9R1.8 CNCC1CCOCC1 PB32464 [0,2,0,0,0,0|1,0,0]=3 441 B9R1.8 CNCC1COCCO1 AB16898 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.8 COCC1CCCCN1 MB02439 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.8 COCC1CCNCC1 PB18718 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.15 C1C=CC[C@@H]([C@@H]1CN)N AB30948 [0,2,0,0,0,0|0,0,2]=4 445 B9R1.15 C1C=CC[C@H]([C@@H]1CN)N AB30951 [0,2,0,0,0,0|0,0,2]=4 446 B9R1.15 C1C=CC[C@H]([C@@H]1CO)N AB30952 [0,2,0,0,0,0|0,0,2]=4 447 B9R1.15 C1C=CC[C@H]([C@@H]1CO)N AB49838 [0,2,0,0,0,0|0,0,2]=4 448 B9R1.15 C1C=CC[C@H]([C@H]1CO)N AB03899 [0,2,0,0,0,0|0,0,2]=4 449 B9R1.15 C1CC[C@H]([C@@H](C1)C#N)O AB03956 [0,2,0,0,0,0|0,0,1]=3 450 B9R1.15 C1CC[C@H]([C@@H](C1)CN)N AB29959 [0,2,0,0,0,0|0,0,0]=2 451 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O AB23390 [0,2,0,0,0,0|0,0,0]=2 452 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB03960 [0,2,0,0,0,0|0,0,0]=2 453 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB49818 [0,2,0,0,0,0|0,0,0]=2 454 B9R1.15 C1CC[C@H]([C@H](C1)CN)N AB29958 [0,2,0,0,0,0|0,0,0]=2 455 B9R1.15 C1CC[C@H]([C@H](C1)CN)O AB03894 [0,2,0,0,0,0|0,0,0]=2 456 B9R1.15 C1CC[C@H]([C@H](C1)CO)N AB03895 [0,2,0,0,0,0|0,0,0]=2 457 B9R1.15 C1CNC[C@@H]([C@@H]1CN)O PB38822 [0,2,0,0,0,0|1,0,0]=3 458 B9R1.15 C1CNC[C@@H]([C@@H]1CO)O PB37859 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.15 C1CNC[C@@H]([C@H]1CO)O PB38900 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.15 C1CNC[C@H]([C@@H]1CN)O PB36505 [0,2,0,0,0,0|1,0,0]=3 461 B9R1.15 CCC1CCCCC1=O AB02693 [0,2,0,0,0,0|1,0,1]=4 462 B9R1.15 CN[C@@H]1CCCC[C@@H]1O AB30960 [0,2,0,0,0,0|0,0,0]=2 463 B9R1.15 CN[C@@H]1CCCC[C@H]1O AB30957 [0,2,0,0,0,0|0,0,0]=2 464 B9R1.15 CN[C@H]1CCCC[C@@H]1O AB43551 [0,2,0,0,0,0|0,0,0]=2 465 B9R1.15 CN[C@H]1CCCC[C@H]1O AB49073 [0,2,0,0,0,0|0,0,0]=2 466 B9R1.15 CO[C@@H]1COCC[C@H]1N PB16870 [0,2,0,0,0,0|1,0,0]=3 467 B9R1.15 CO[C@H]1COCC[C@H]1N PB22953 [0,2,0,0,0,0|1,0,0]=3 468 B9R1.118 C#CC1(CCOCC1)O PB25698 [0,2,0,0,0,0|2,0,0]=4 469 B9R1.118 C1CC(CNC1)(CO)O PB39138 [0,2,0,0,0,0|2,0,0]=4 470 B9R1.118 C1CCC(CC1)(C#N)Br MB13673 [0,2,0,0,0,0|0,0,1]=3 471 B9R1.118 C1CCC(CC1)(C#N)Cl MB00771 [0,2,0,0,0,0|0,0,1]=3 472 B9R1.118 C1CNCCC1(CF)O PB31980 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.118 C1CNCCC1(CO)F PB28680 [0,2,0,0,0,0|2,0,0]=4 474 B9R1.118 C1CNCCC1(CO)O PB28497 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.118 C1COCCC1(C#N)N MB05517 [0,2,0,0,0,0|1,0,0]=3 476 B9R1.118 C1COCCC1(CN)N MB05518 [0,2,0,0,0,0|1,0,0]=3 477 B9R1.118 C1COCCC1(CO)F PB21247 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.118 C1COCCC1(CO)N PB27667 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.118 C1CSCCC1(CO)N AB20273 [0,2,0,0,0,0|1,0,0]=3 480 B9R1.118 CC1(CCCNC1)CO PB19791 [0,2,0,0,0,0|2,0,0]=4 481 B9R1.118 CC1(CCCNC1)CO PB29598 [0,2,0,0,0,0|2,0,0]=4 482 B9R1.118 CC1(CCNCC1)CO PB29757 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.118 CC1(CCOCC1)C#C PB39000 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.118 CC1(CCOCC1)CN PB34762 [0,2,0,0,0,0|1,0,0]=3 485 B9R1.118 CC1(CCOCC1)CO PB31694 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.118 CCC1(CCNCC1)O PB28609 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.10 C1CC(CCC1=O)(F)F PB10513 [0,2,0,0,0,0|1,0,1]=4 488 B9R1.10 C1CC(CCC1Br)(F)F AB68676 [0,2,0,0,0,0|1,0,0]=3 489 B9R1.10 C1CC(CCC1N)(F)F PB20163 [0,2,0,0,0,0|0,0,0]=2 490 B9R1.10 C1CS(=O)(=O)CCC1N PB26461 [0,2,0,0,0,0|1,0,0]=3 491 B9R1.10 CC1(CCC(CC1)N)O PB18103 [0,2,0,0,0,0|0,0,0]=2 492 B9R1.10 CC1(OCC(CO1)N)C MB07021 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.10 C[C@]1(CC[C@@H](CC1)N)O PB22966 [0,2,0,0,0,0|0,0,0]=2 494 B9R1.10 C[C@]1(CC[C@@H](CC1)O)N PB36051 [0,2,0,0,0,0|0,0,0]=2 495 B9R1.10 C[C@]1(CC[C@H](CC1)N)O PB13835 [0,2,0,0,0,0|0,0,0]=2 496 B9R1.10 C[C@]1(CC[C@H](CC1)O)N PB37705 [0,2,0,0,0,0|0,0,0]=2 497 B9R1.69 CN1CC(CCC1=O)N PB13136 [0,2,0,0,0,0|1,0,1]=4 498 B9R1.3 CN1CCCC(C1=O)N PB20691 [0,2,0,0,0,0|1,0,1]=4 499 B9R1.34 CC1CC(CC(N1)C)O MB01439 [0,2,0,0,0,0|2,0,0]=4 500 B9R1.66 C1CC(CC(C1)(F)F)N MB10651 [0,2,0,0,0,0|0,0,0]=2 501 B9R1.66 CC1CC(CCN1)(F)F PB34897 [0,2,0,0,0,0|2,0,0]=4 502 B9R1.40 C1CCC(C(C1)N)(F)F MB10649 [0,2,0,0,0,0|0,0,0]=2 503 B9R1.40 C1CNCC(C1O)(F)F PB11429 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.40 C1CNCC(C1O)(F)F PB24225 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.40 CC1(CNCCC1O)C PB16311 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.40 CC1CCNCC1(F)F PB21524 [0,2,0,0,0,0|2,0,0]=4 507 B7R1.6 C1CC(C1)CCN PB23748 [0,0,1,1,0,0|2,0,0]=4 508 B7R1.6 COCC1CCN1 PB36845 [0,0,1,1,0,0|1,0,0]=3 509 B7R1.6 COC[C@@H]1CCN1 PB36728 [0,0,1,1,0,0|1,0,0]=3 510 B7R1.6 COC[C@H]1CCN1 PB28355 [0,0,1,1,0,0|1,0,0]=3 511 B7R1.25 C1C(CO1)(CO)N PB16909 [0,0,1,1,0,0|2,0,0]=4 512 B7R1.25 C1CC(C1)(CO)N PB16437 [0,0,1,1,0,0|1,0,0]=3 513 B7R1.25 CC1(CCC1)CN PB11165 [0,0,1,1,0,0|2,0,0]=4 514 B7R1.25 CCC1(CNC1)N PB20652 [0,0,1,1,0,0|1,0,0]=3 515 B7R1.25 CCC1(CNC1)O PB13452 [0,0,1,1,0,0|2,0,0]=4 516 B7R1.25 CCC1(COC1)N PB16859 [0,0,1,1,0,0|1,0,0]=3 517 B7R1.25 CCC1(COC1)N PB38017 [0,0,1,1,0,0|1,0,0]=3 518 B7R1.18 C1CC(C1)C(=N)N PB21224 [0,0,1,1,0,0|1,0,1]=4 519 B7R1.18 CC(C1CCC1)O CB10183 [0,0,1,1,0,0|1,0,0]=3 520 B7R1.20 C1CC1CC(=N)N AB49225 [0,0,1,1,0,0|1,0,1]=4 521 B7R2.13 C1C2C1CNC2 AB58452 [1,0,0,1,0,0|1,0,0]=3 522 B7R2.13 C1C2C1CNC2 PB15056 [1,0,0,1,0,0|1,0,0]=3 523 B7R2.13 C1CNC2C1C2 PB29591 [1,0,0,1,0,0|1,0,0]=3 524 B9R2.6 CC12CCNCC1C2 PB24469 [0,0,0,1,0,1|1,0,0]=3 525 B9R2.7 CN1CC2C1CNC2 PB37657 [0,0,0,1,0,1|2,0,0]=4 526 B9R2.7 CN1C[C@@H]2[C@H]1CNC2 PB37028 [0,0,0,1,0,1|2,0,0]=4 527 B9R2.7 CN1C[C@H]2[C@@H]1CNC2 PB35589 [0,0,0,1,0,1|2,0,0]=4 528 B9R2.33 CN1CC2CNC2C1 PB38028 [0,0,0,1,0,1|2,0,0]=4 529 B9R2.33 CN1C[C@@H]2CN[C@@H]2C1 PB37707 [0,0,0,1,0,1|2,0,0]=4 530 B9R2.33 CN1C[C@H]2CN[C@H]2C1 PB35847 [0,0,0,1,0,1|2,0,0]=4 531 B9R2.68 C1CC2COCC1N2 PB11357 [0,0,0,1,0,1|0,0,0]=2 532 B9R2.68 C1CN2CCNC1C2 PB36685 [0,0,0,1,0,1|2,0,0]=4 533 B9R2.68 C1CN2CCN[C@@H]1C2 PB33776 [0,0,0,1,0,1|2,0,0]=4 534 B9R2.68 C1CN2CCN[C@H]1C2 PB35788 [0,0,0,1,0,1|2,0,0]=4 535 B9R2.68 C1C[C@@H]2CC[C@H](C1)N2 PB15162 [0,0,0,1,0,1|0,0,0]=2 536 B9R2.68 C1C[C@H]2CNC[C@@H]1O2 PB19030 [0,0,0,1,0,1|1,0,0]=3 537 B9R2.49 C1CC2COC1CN2 PB37406 [0,1,0,1,0,0|1,0,0]=3 538 B9R2.50 C1CC2C(CN2)NC1 PB27213 [0,1,0,1,0,0|1,0,0]=3 539 B9R2.53 C1C2CNCC1C2O PB27312 [0,1,0,1,0,0|2,0,0]=4 540 B9R2.56 C1C2C1(CNC2)CO PB36206 [0,1,0,1,0,0|2,0,0]=4 541 B9R2.65 C1[C@@H]2[C@@H]([C@H]2CO)CN1 PB13342 [0,1,0,1,0,0|2,0,0]=4 542 B9R2.70 C1C2C1C(NC2)C#N PB19689 [0,1,0,1,0,0|1,0,1]=4 543 B9R2.70 C1[C@H]2[C@@H]1[C@H](NC2)CO PB13645 [0,1,0,1,0,0|2,0,0]=4 544 B9R2.174 C1CC12CCNCC2 PB13878 [0,1,0,1,0,0|2,0,0]=4 545 B9R2.19 C1C2CNC(=O)C1N2 PB31914 [0,1,0,1,0,0|1,0,1]=4 546 B9R2.54 CN1C[C@@H]2[C@H](C1)[C@H]2N PB31894 [0,1,0,1,0,0|1,0,0]=3 547 B9R2.39 C1C[C@@H]2[C@@H](C[C@H]1N2)O PB36484 [0,1,0,1,0,0|0,0,0]=2 548 B9R2.39 C1C[C@@H]2[C@H](C[C@H]1N2)O PB35089 [0,1,0,1,0,0|0,0,0]=2 549 B9R2.95 C1C2C(C2(F)F)CN1 PB27013 [0,1,0,1,0,0|2,0,0]=4 550 B9R2.95 CC1(C2C1CNC2)C PB27232 [0,1,0,1,0,0|2,0,0]=4 551 B5R1.2 C1C(CN1)N PB22346 [0,0,0,0,2,0|1,0,0]=3 552 B5R1.2 C1C(CN1)O PB18565 [0,0,0,0,2,0|2,0,0]=4 553 B5R1.2 C1C(CN1)S PB18372 [0,0,0,0,2,0|2,0,0]=4 554 B5R1.2 C1C(CO1)Br PB32639 [0,0,0,0,2,0|2,0,0]=4 555 B5R1.2 C1C(CO1)Cl PB33445 [0,0,0,0,2,0|2,0,0]=4 556 B5R1.2 C1C(CO1)F AB71732 [0,0,0,0,2,0|2,0,0]=4 557 B5R1.2 C1C(CO1)I PB20276 [0,0,0,0,2,0|2,0,0]=4 558 B5R1.2 C1C(CO1)N MB07029 [0,0,0,0,2,0|1,0,0]=3 559 B5R1.2 C1C(CO1)N PB31297 [0,0,0,0,2,0|1,0,0]=3 560 B5R1.2 C1C(CO1)O PB25111 [0,0,0,0,2,0|2,0,0]=4 561 B5R1.2 C1C(CO1)S PB31940 [0,0,0,0,2,0|2,0,0]=4 562 B5R1.2 C1C(CS1)N PB11400 [0,0,0,0,2,0|1,0,0]=3 563 B5R1.2 CC1CNC1 PB16157 [0,0,0,0,2,0|2,0,0]=4