0 B8R1.3 C1CC(=O)CCC1N AB26267 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.3 C1CC(=O)NCC1N PB22229 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N AB30937 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O PB27420 [0,0,0,0,0,0|1,0,2]=3 4 B8R1.3 C1[C@@H](CC[C@H](C1)O)N AB02731 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.3 C1[C@@H](CC[C@H](C1)O)O AB02551 [0,0,0,0,0,0|1,0,2]=3 6 B8R1.3 CC1CNC(=O)CN1 AB37204 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.3 CC1CNC(CO1)C AB55657 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.3 CN1CCC(=CC1)I AB70135 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.3 CN1CCC(CC1)Cl AB01976 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.3 CN1CCC(CC1)N PB32253 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.3 CN1CCC(CC1)O PB18398 [0,0,0,0,0,0|1,0,2]=3 13 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.3 C[C@@H]1CN[C@@H](CN1)C AB48053 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.3 C[C@@H]1CN[C@H](CN1)C AB02818 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 C1CC(=O)CNC1 AB27650 [1,0,0,0,0,0|1,0,0]=2 18 B7R1.3 C1CC(=O)CNC1 PB26241 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.3 C1CC(=O)COC1 PB27461 [1,0,0,0,0,0|1,0,0]=2 20 B7R1.3 C1CC(=O)CSC1 PB28980 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.3 C1CC(CNC1)F PB33693 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.3 C1CC(CNC1)O PB27381 [1,0,0,0,0,0|1,0,2]=4 23 B7R1.3 C1CC(CNC1)S PB34789 [1,0,0,0,0,0|1,1,1]=4 24 B7R1.3 C1CC(COC1)Br MB04535 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.3 C1CC(COC1)N PB30901 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.3 C1CC(COC1)O PB32182 [1,0,0,0,0,0|1,0,2]=4 27 B7R1.3 C1CCNC(C1)O MB03551 [1,0,0,0,0,0|1,0,2]=4 28 B7R1.3 C1CCO[C@@H](C1)N MB06981 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.3 C1CCO[C@H](C1)N MB06978 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.3 C1CNC(=O)CN1 PB23229 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.3 C1CNCCC1=O PB32095 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.3 C1CNCCC1Cl AB14164 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.3 C1CNCCC1F AB13264 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.3 C1CNCCC1F PB24811 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.3 C1CNCCC1N AB11093 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 C1CNCCC1S PB26690 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.3 C1COC(=O)CN1 AB71646 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.3 C1COCC(=O)N1 PB29100 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.3 C1COCC(=S)N1 AB72718 [1,0,0,0,0,0|2,1,0]=4 40 B7R1.3 C1COCC=C1I AB69543 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.3 C1COCCC1=O PB24536 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.3 C1COCCC1Br PB24975 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.3 C1COCCC1Cl AB02848 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.3 C1COCCC1I PB13042 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 C1COCCC1N AB11128 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 C1COCCC1N PB27421 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 C1COCCC1O PB11583 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.3 C1CSCCC1=O PB25896 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.3 C1CSCCC1N AB32569 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.3 C1C[C@@H](CNC1)F PB24269 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.3 C1C[C@@H](CNC1)N AB15031 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.3 C1C[C@@H](CNC1)O PB26394 [1,0,0,0,0,0|1,0,2]=4 53 B7R1.3 C1C[C@H](CNC1)F PB38654 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.3 C1C[C@H](CNC1)N AB29962 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.3 C1C[C@H](CNC1)O PB20930 [1,0,0,0,0,0|1,0,2]=4 56 B7R1.3 C1C[C@H](CNC1)O PB25197 [1,0,0,0,0,0|1,0,2]=4 57 B7R1.3 CC1CCCNC1 AB00557 [1,0,0,0,0,0|1,0,1]=3 58 B7R1.3 CC1CNCCO1 PB23610 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.3 CC1COCCN1 AB49614 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.3 C[C@@H]1CNCCN1 AB04653 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.3 C[C@@H]1CNCCO1 PB14859 [1,0,0,0,0,0|2,0,1]=4 62 B7R1.3 C[C@@H]1COCCN1 AB62216 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.3 C[C@H]1CNCCN1 AB04288 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.3 C[C@H]1CNCCN1 AB14223 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.3 C[C@H]1CNCCN1 AB63406 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.3 C[C@H]1CNCCO1 PB26597 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.3 C[C@H]1COCCN1 AB16412 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.1 C1CC(=O)CCC1C=O AB21200 [0,1,0,0,0,0|0,0,1]=2 69 B9R1.1 C1CC(CCC1CO)O CB11469 [0,1,0,0,0,0|0,0,2]=3 70 B9R1.1 C1[C@@H](CC[C@@H](C1)N)CO PB25585 [0,1,0,0,0,0|1,0,1]=3 71 B9R1.1 C1[C@@H](CC[C@H](C1)N)CO PB15013 [0,1,0,0,0,0|1,0,1]=3 72 B9R1.1 CCN1CCC(CC1)O MB00190 [0,1,0,0,0,0|1,0,2]=4 73 B9R1.1 CN1CCC(CC1)C#C AB66602 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.1 CN1CCC(CC1)CN PB21868 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.1 CN1CCC(CC1)CO PB30760 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.1 CN1CCC(CC1)[Mg]Cl AB60813 [0,1,0,0,0,0|2,0,1]=4 77 B9R1.1 CN[C@H]1CC[C@@H](CC1)O PB13112 [0,1,0,0,0,0|0,0,2]=3 78 B9R1.1 CN[C@H]1CC[C@H](CC1)O PB22804 [0,1,0,0,0,0|0,0,2]=3 79 B9R1.1 C[C@@H]1CC[C@H](CN1)CO PB27191 [0,1,0,0,0,0|1,0,2]=4 80 B9R1.10 C1CC(CC=C1I)(F)F AB85517 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.10 C1CC(CCC1=O)(F)F PB10513 [0,1,0,0,0,0|1,0,0]=2 82 B9R1.10 C1CC(CCC1Br)(F)F AB68676 [0,1,0,0,0,0|2,0,1]=4 83 B9R1.10 C1CC(CCC1N)(F)F PB20163 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.10 C1CC(CNC1=O)(F)F PB13829 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.10 C1CS(=O)(=O)CCC1=O PB29083 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.10 C1CS(=O)(=O)CCC1N PB26461 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.10 CC1(CCC(CC1)N)O PB18103 [0,1,0,0,0,0|1,0,1]=3 88 B9R1.10 CC1(OCC(=O)CO1)C MB01392 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.10 C[C@]1(CC[C@@H](CC1)N)O PB22966 [0,1,0,0,0,0|1,0,1]=3 90 B9R1.10 C[C@]1(CC[C@@H](CC1)O)N PB36051 [0,1,0,0,0,0|0,0,2]=3 91 B9R1.10 C[C@]1(CC[C@H](CC1)N)O PB13835 [0,1,0,0,0,0|1,0,1]=3 92 B9R1.10 C[C@]1(CC[C@H](CC1)O)N PB37705 [0,1,0,0,0,0|0,0,2]=3 93 B9R1.69 C1CC(=O)NC(=O)C1N PB14928 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.69 CC1CN(CCC1=O)C AB03409 [0,1,0,0,0,0|1,0,0]=2 95 B9R1.69 CN1CC(CCC1=O)N PB13136 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.69 C[C@@H]1CNC(=O)[C@@H](N1)C AB72319 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C AB72313 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C AB72316 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.69 C[C@H]1CNC(=O)[C@H](N1)C AB72314 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.3 COC(=O)CCC=C AB16906 [0,0,1,0,0,0|1,0,2]=4 101 B7R0.3 COC(=O)CCCO AB65249 [0,0,1,0,0,0|2,0,0]=3 102 B7R0.6 CC(=O)CNC(=O)C AB02398 [0,0,1,0,0,0|2,0,1]=4 103 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [0,0,1,0,0,0|1,0,2]=4 104 B9R2.19 C1C2CNC(=O)C1N2 PB31914 [0,0,0,1,0,0|2,0,0]=3 105 B9R2.49 C1CC2COC1CN2 PB37406 [0,0,0,1,0,0|1,0,2]=4 106 B9R2.54 CN1C[C@@H]2[C@H](C1)[C@H]2N PB31894 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.2 C1C(CNC1=O)N PB17844 [0,0,0,0,1,0|2,0,0]=3 108 B7R1.2 C1CC(CC1N)O PB13684 [0,0,0,0,1,0|1,0,2]=4 109 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [0,0,0,0,1,0|1,0,2]=4 110 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [0,0,0,0,1,0|1,0,2]=4 111 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [0,0,0,0,1,0|1,0,2]=4 112 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,0,0,0,1,0|2,0,0]=3 113 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,0,0,0,1,0|2,0,0]=3 114 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,0,0,0,1,0|2,0,0]=3 115 B7R1.2 CN1CCC(=O)C1 PB26542 [0,0,0,0,1,0|1,0,0]=2 116 B7R1.2 CN1CCC(C1)Br AB65769 [0,0,0,0,1,0|2,0,1]=4 117 B7R1.2 CN1CCC(C1)N PB22385 [0,0,0,0,1,0|2,0,1]=4 118 B7R1.2 CN1CCC(C1)O PB32059 [0,0,0,0,1,0|1,0,2]=4 119 B7R1.2 CN1CC[C@@H](C1)N PB14641 [0,0,0,0,1,0|2,0,1]=4 120 B7R1.2 CN1CC[C@H](C1)N PB34450 [0,0,0,0,1,0|2,0,1]=4 121 B7R1.2 CN1CC[C@H](C1)O PB17320 [0,0,0,0,1,0|1,0,2]=4 122 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,0,0,0,0,1|1,0,0]=2 123 B9R1.49 CN1CCCC(CC1)N PB18198 [0,0,0,0,0,1|2,0,1]=4 124 B9R1.49 CN1CCCC(CC1)O PB20925 [0,0,0,0,0,1|1,0,2]=4 125 B6R0.6 CCCNCCC AB02251 [1,0,1,0,0,0|1,0,1]=4 126 B6R1.1 C1CNCC=C1 PB15670 [2,0,0,0,0,0|1,0,1]=4 127 B8R1.2 C#CC1CCNCC1 PB19413 [1,1,0,0,0,0|1,0,1]=4 128 B8R1.2 C#CC1CCOCC1 PB24300 [1,1,0,0,0,0|1,0,1]=4 129 B8R1.2 C#CC1CCSCC1 PB39036 [1,1,0,0,0,0|1,0,1]=4 130 B8R1.2 C1CC(CNC1)CN AB17390 [1,1,0,0,0,0|1,0,1]=4 131 B8R1.2 C1CC(CNC1)CO PB21599 [1,1,0,0,0,0|1,0,1]=4 132 B8R1.2 C1CC(COC1)C=O AB16155 [1,1,0,0,0,0|1,0,1]=4 133 B8R1.2 C1CC(COC1)CBr PB14565 [1,1,0,0,0,0|1,0,1]=4 134 B8R1.2 C1CC(COC1)CN PB23481 [1,1,0,0,0,0|1,0,1]=4 135 B8R1.2 C1CC(COC1)CO PB12514 [1,1,0,0,0,0|1,0,1]=4 136 B8R1.2 C1CCC(=CC1)CBr PB28658 [1,1,0,0,0,0|1,0,1]=4 137 B8R1.2 C1CCN(CC1)CCl AB16725 [1,1,0,0,0,0|1,0,1]=4 138 B8R1.2 C1CCNC(C1)C=O AB52540 [1,1,0,0,0,0|1,0,1]=4 139 B8R1.2 C1CCOC(C1)C=O MB05934 [1,1,0,0,0,0|1,0,1]=4 140 B8R1.2 C1CCOC(C1)CBr MB00206 [1,1,0,0,0,0|1,0,1]=4 141 B8R1.2 C1CCOC(C1)CN AB28292 [1,1,0,0,0,0|1,0,1]=4 142 B8R1.2 C1CCOC(C1)CO AB00784 [1,1,0,0,0,0|1,0,1]=4 143 B8R1.2 C1CNCCC1C#N PB14665 [1,1,0,0,0,0|1,0,1]=4 144 B8R1.2 C1CNCCC1C=O AB52543 [1,1,0,0,0,0|1,0,1]=4 145 B8R1.2 C1CNCCC1CBr AB52518 [1,1,0,0,0,0|1,0,0]=3 146 B8R1.2 C1CNCCC1CBr MB02967 [1,1,0,0,0,0|1,0,0]=3 147 B8R1.2 C1CNCCC1CF PB14869 [1,1,0,0,0,0|1,0,0]=3 148 B8R1.2 C1CNCCC1CO PB10118 [1,1,0,0,0,0|1,0,0]=3 149 B8R1.2 C1COCCC1=NO AB55822 [1,1,0,0,0,0|1,0,1]=4 150 B8R1.2 C1COCCC1C#N PB20297 [1,1,0,0,0,0|1,0,1]=4 151 B8R1.2 C1COCCC1C=O AB14645 [1,1,0,0,0,0|1,0,1]=4 152 B8R1.2 C1COCCC1CBr PB20063 [1,1,0,0,0,0|1,0,0]=3 153 B8R1.2 C1COCCC1CCl AB71513 [1,1,0,0,0,0|1,0,0]=3 154 B8R1.2 C1COCCC1CI PB24898 [1,1,0,0,0,0|1,0,0]=3 155 B8R1.2 C1COCCC1CN AB14272 [1,1,0,0,0,0|1,0,0]=3 156 B8R1.2 C1COCCC1CN PB27569 [1,1,0,0,0,0|1,0,0]=3 157 B8R1.2 C1COCCC1CO PB18487 [1,1,0,0,0,0|1,0,0]=3 158 B8R1.2 C1COCCC1NN PB16645 [1,1,0,0,0,0|2,0,0]=4 159 B8R1.2 C1COCCN1CCl AB16667 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.2 C1CSCCC1C#N PB29580 [1,1,0,0,0,0|1,0,1]=4 161 B8R1.2 C1CSCCC1C=O AB14650 [1,1,0,0,0,0|1,0,1]=4 162 B8R1.2 C1CSCCC1CN PB35740 [1,1,0,0,0,0|1,0,0]=3 163 B8R1.2 C1CSCCC1CO PB28111 [1,1,0,0,0,0|1,0,0]=3 164 B8R1.2 CNC1CCNCC1 PB15642 [1,1,0,0,0,0|1,0,0]=3 165 B8R1.2 CNC1CCOCC1 PB29392 [1,1,0,0,0,0|1,0,0]=3 166 B8R1.2 COC1CCCNC1 PB14414 [1,1,0,0,0,0|1,0,1]=4 167 B8R1.2 COC1CCNCC1 PB10390 [1,1,0,0,0,0|1,0,0]=3 168 B8R1.2 COC1CCNCC1 PB34075 [1,1,0,0,0,0|1,0,0]=3 169 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [1,1,0,0,0,0|1,0,1]=4 170 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [1,1,0,0,0,0|1,0,1]=4 171 B8R1.2 CO[C@H]1CCCNC1 PB13690 [1,1,0,0,0,0|1,0,1]=4 172 B8R1.2 CO[C@H]1CCCNC1 PB31836 [1,1,0,0,0,0|1,0,1]=4 173 B8R1.2 CSC1CCNCC1 PB22682 [1,1,0,0,0,0|1,0,0]=3 174 B8R1.4 C1C(=O)COCC1=O PB14653 [1,1,0,0,0,0|1,0,1]=4 175 B8R1.4 C1C(=O)CSCC1=O PB15832 [1,1,0,0,0,0|1,0,1]=4 176 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [1,1,0,0,0,0|0,0,2]=4 177 B8R1.4 C1CNC(=O)CC1=O PB20308 [1,1,0,0,0,0|1,0,1]=4 178 B8R1.4 C1CNC(=O)CC1N PB11631 [1,1,0,0,0,0|1,0,0]=3 179 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [1,1,0,0,0,0|1,0,0]=3 180 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,1,0,0,0,0|1,0,0]=3 181 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,1,0,0,0,0|1,0,0]=3 182 B8R1.4 CC1CC(CCN1)O PB10241 [1,1,0,0,0,0|1,0,1]=4 183 B8R1.4 CC1CC(CCO1)O PB22789 [1,1,0,0,0,0|1,0,1]=4 184 B8R1.4 CC1CNCC(=O)N1 AB37299 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,1,0,0,0,0|1,0,0]=3 186 B8R1.4 CN1CCCC(C1)N PB12415 [1,1,0,0,0,0|1,0,1]=4 187 B8R1.4 CN1CCCC(C1)O PB17042 [1,1,0,0,0,0|1,0,1]=4 188 B8R1.4 CN1CCC[C@@H](C1)N PB25450 [1,1,0,0,0,0|1,0,1]=4 189 B8R1.4 CN1CCC[C@@H](C1)N PB28836 [1,1,0,0,0,0|1,0,1]=4 190 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [1,1,0,0,0,0|1,0,1]=4 191 B8R1.4 CN1CCC[C@H](C1)N PB33333 [1,1,0,0,0,0|1,0,1]=4 192 B8R1.4 CN1CCC[C@H](C1)O PB31692 [1,1,0,0,0,0|1,0,1]=4 193 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,1,0,0,0,0|1,0,0]=3 194 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [1,1,0,0,0,0|1,0,1]=4 195 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [1,1,0,0,0,0|1,0,1]=4 196 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [1,1,0,0,0,0|1,0,1]=4 198 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [1,1,0,0,0,0|1,0,1]=4 201 B8R1.5 C1CCC(=O)C(C1)F MB01688 [1,1,0,0,0,0|0,0,0]=2 202 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [1,1,0,0,0,0|0,0,2]=4 203 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [1,1,0,0,0,0|0,0,2]=4 204 B8R1.5 C1CC[C@H]([C@@H](C1)N)N AB07531 [1,1,0,0,0,0|1,0,1]=4 205 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [1,1,0,0,0,0|0,0,2]=4 206 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [1,1,0,0,0,0|0,0,2]=4 207 B8R1.5 C1CNCC(C1=O)F PB20587 [1,1,0,0,0,0|1,0,0]=3 208 B8R1.5 C1CNC[C@H]([C@@H]1F)F PB37354 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.5 C1CNC[C@H]([C@@H]1F)O PB30506 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.5 C1CNC[C@H]([C@@H]1O)F PB36818 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.5 C1CNC[C@H]([C@H]1F)F PB38218 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.5 C1CNC[C@H]([C@H]1O)F PB38663 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.5 C1COCC(C1=O)Br PB18064 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.5 C1COCC(C1=O)F PB28362 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [1,1,0,0,0,0|1,0,0]=3 220 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [1,1,0,0,0,0|1,0,0]=3 221 B8R1.5 CC1C(=O)NCCN1 AB04135 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.5 CC1C(=O)NCCO1 AB71412 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.5 CC1CCNCC1=O PB36769 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.5 CC1CCNCC1O PB36981 [1,1,0,0,0,0|1,0,0]=3 225 B8R1.5 CC1CNCCC1=O PB23474 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.5 CC1COCCC1=O PB26907 [1,1,0,0,0,0|1,0,0]=3 227 B8R1.5 CN1CCNCC1=O PB24934 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [1,1,0,0,0,0|1,0,0]=3 230 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [1,1,0,0,0,0|1,0,0]=3 232 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [1,1,0,0,0,0|1,0,1]=4 233 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [1,1,0,0,0,0|1,0,0]=3 235 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [1,1,0,0,0,0|1,0,1]=4 236 B8R1.72 C1CCS(=O)(=O)NC1 AB17207 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.72 C1CNCCC1(F)F PB29234 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.72 C1CS(=O)(=O)CCN1 PB18693 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.72 C1CS(=O)(=O)CCN1 PB21955 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.72 CC1(CCCCN1)C AB58454 [1,1,0,0,0,0|1,0,1]=4 241 B8R1.72 CC1(CCCNC1)O PB32801 [1,1,0,0,0,0|1,0,1]=4 242 B8R1.72 CC1(CCNCC1)C AB17027 [1,1,0,0,0,0|1,0,0]=3 243 B8R1.72 CC1(CCNCC1)C PB14098 [1,1,0,0,0,0|1,0,0]=3 244 B8R1.72 CC1(CCNCC1)N AB48443 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.72 CC1(CCNCC1)O PB10877 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.72 CC1(CCNCC1)O PB32903 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.72 CC1(CCOCC1)N PB22590 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.1 C1C(CNC1=O)CN PB10686 [0,1,0,0,1,0|1,0,0]=3 249 B8R1.1 C1C(CNC1=O)CO PB26709 [0,1,0,0,1,0|1,0,0]=3 250 B8R1.1 C1CC(=O)NC1CN AB28123 [0,1,0,0,1,0|1,0,0]=3 251 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [0,1,0,0,1,0|1,0,0]=3 252 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [0,1,0,0,1,0|1,0,0]=3 253 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [0,1,0,0,1,0|1,0,0]=3 254 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [0,1,0,0,1,0|1,0,0]=3 255 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,1,0,0,1,0|1,0,0]=3 256 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [0,1,0,0,1,0|1,0,0]=3 257 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [0,1,0,0,1,0|1,0,0]=3 258 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [0,1,0,0,1,0|1,0,0]=3 259 B8R1.1 C1[C@H](COC1=O)CF MB19704 [0,1,0,0,1,0|1,0,0]=3 260 B8R1.1 CN1CCC(C1)CN PB23433 [0,1,0,0,1,0|2,0,0]=4 261 B8R1.1 CN1CC[C@@H](C1)CN PB35492 [0,1,0,0,1,0|2,0,0]=4 262 B8R1.1 CN1CC[C@@H](C1)CO PB34858 [0,1,0,0,1,0|2,0,0]=4 263 B8R1.1 CN1CC[C@H](C1)CN PB36038 [0,1,0,0,1,0|2,0,0]=4 264 B8R1.1 CN1CC[C@H](C1)CO PB31861 [0,1,0,0,1,0|2,0,0]=4 265 B8R1.18 CN1CC(CC1=O)N PB22380 [0,1,0,0,1,0|2,0,0]=4 266 B8R1.51 C1CC(CC1=O)(F)F AB71425 [0,1,0,0,1,0|1,0,0]=3 267 B8R1.51 C1CS(=O)(=O)CC1N PB12042 [0,1,0,0,1,0|2,0,0]=4 268 B8R1.51 CC1(CCC(C1)N)O PB38754 [0,1,0,0,1,0|1,0,1]=4 269 B8R1.51 CC1(COC(=O)N1)C PB29297 [0,1,0,0,1,0|2,0,0]=4 270 B10R1.1 C1CS(=O)CCN1CC#N AB16494 [0,2,0,0,0,0|2,0,0]=4 271 B10R1.1 CN1CCC(CC1)CC#C AB85642 [0,2,0,0,0,0|2,0,0]=4 272 B10R1.1 CN1CCC(CC1)CCN PB26188 [0,2,0,0,0,0|2,0,0]=4 273 B10R1.1 CN1CCC(CC1)CCO PB26877 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.1 CNCC1CCN(CC1)C AB28313 [0,2,0,0,0,0|2,0,0]=4 275 B10R1.1 CSCC1CNC(=O)CN1 AB37228 [0,2,0,0,0,0|2,0,0]=4 276 B10R1.1 CSC[C@@H]1CNC(=O)CN1 AB37233 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.1 CSC[C@H]1CNC(=O)CN1 AB37230 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.13 B(C1=CCC(CC1)C)(O)O AB26487 [0,2,0,0,0,0|0,0,2]=4 279 B10R1.13 C1CC(=O)CCC1C(=O)O PB10093 [0,2,0,0,0,0|0,0,1]=3 280 B10R1.13 C1CC(=O)NCC1C(=O)O PB30997 [0,2,0,0,0,0|1,0,1]=4 281 B10R1.13 C1CC(CCC1C(=O)O)F AB68681 [0,2,0,0,0,0|1,0,1]=4 282 B10R1.13 C1CC(CCC1C(F)F)N AB76254 [0,2,0,0,0,0|1,0,1]=4 283 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O PB10129 [0,2,0,0,0,0|1,0,1]=4 284 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O PB21681 [0,2,0,0,0,0|1,0,1]=4 285 B10R1.13 CC(=O)N1CCC(CC1)N PB24800 [0,2,0,0,0,0|2,0,0]=4 286 B10R1.13 CC(=O)N1CCC(CC1)O PB11970 [0,2,0,0,0,0|2,0,0]=4 287 B10R1.13 CC(=O)N1CCN(CC1)C MB01399 [0,2,0,0,0,0|2,0,0]=4 288 B10R1.13 CC(C)C1CNC(=O)CN1 AB37212 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.13 CC(C)N1CCC(=O)CC1 AB01696 [0,2,0,0,0,0|1,0,0]=3 290 B10R1.13 CC(C)[C@@H]1CNC(=O)CN1 AB37218 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.13 CC(C)[C@H]1CNC(=O)CN1 AB37214 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.13 CN1CCC(CC1)C(=O)N AB25815 [0,2,0,0,0,0|1,0,1]=4 293 B10R1.13 CN1CCC(CC1)C(=O)O AB04504 [0,2,0,0,0,0|1,0,1]=4 294 B10R1.13 CN1CCC(CC1)C(=O)O PB21919 [0,2,0,0,0,0|1,0,1]=4 295 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O AB02851 [0,2,0,0,0,0|0,0,1]=3 296 B10R1.25 CCC1CNC(=O)CC1=O PB13231 [0,2,0,0,0,0|1,0,1]=4 297 B10R1.26 C1CC(CCC1C=O)(F)F AB50192 [0,2,0,0,0,0|1,0,1]=4 298 B10R1.26 C1CC(CCC1CBr)(F)F AB64741 [0,2,0,0,0,0|1,0,1]=4 299 B10R1.26 C1CC(CCC1CN)(F)F PB22485 [0,2,0,0,0,0|1,0,1]=4 300 B10R1.26 C1CC(CCC1CO)(F)F PB17865 [0,2,0,0,0,0|1,0,1]=4 301 B10R1.26 C1CS(=O)(=O)CCC1CN PB11908 [0,2,0,0,0,0|1,0,0]=3 302 B10R1.26 CNC1CCC(CC1)(F)F AB76230 [0,2,0,0,0,0|1,0,1]=4 303 B10R1.473 CN1CCC(CC1)(CN)O PB14543 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.297 CC1(CCC(CC1)(F)F)N AB85511 [0,2,0,0,0,0|1,0,1]=4 305 B8R1.10 C1CC(C1)CN=C=O AB74239 [0,0,1,1,0,0|1,0,1]=4 306 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,0,1,1,0,0|1,0,0]=3 307 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,0,1,1,0,0|1,0,0]=3 308 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,0,1,1,0,0|2,0,0]=4 309 B8R1.22 C1CNCCNC1=O AB07054 [0,0,1,1,0,0|2,0,0]=4 310 B8R1.38 C1CC(C1)C(=O)NN PB29240 [0,0,1,1,0,0|2,0,0]=4 311 B8R1.38 COC(=O)C1CCN1 MB03946 [0,0,1,1,0,0|2,0,0]=4 312 B8R1.38 COC(=O)C1CNC1 CB11044 [0,0,1,1,0,0|2,0,0]=4 313 B8R1.38 COC(=O)C1CNC1 PB17252 [0,0,1,1,0,0|2,0,0]=4 314 B8R1.38 COC(=O)[C@@H]1CCN1 PB15881 [0,0,1,1,0,0|2,0,0]=4 315 B8R1.38 COC(=O)[C@H]1CCN1 PB33618 [0,0,1,1,0,0|2,0,0]=4 316 B8R1.40 COC(=O)CC1CC1 PB20704 [0,0,1,1,0,0|1,0,0]=3 317 B8R1.83 COC(=O)[C@H]1C[C@@H]1N AB77059 [0,0,1,1,0,0|2,0,0]=4 318 B8R1.23 C1C(CC1Cl)C(=O)O PB13057 [0,0,1,1,0,0|2,0,0]=4 319 B8R1.23 C1C(CC1F)C(=O)O PB20399 [0,0,1,1,0,0|2,0,0]=4 320 B8R1.23 C1C(CC1O)C(=O)O PB26416 [0,0,1,1,0,0|2,0,0]=4 321 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB12385 [0,0,1,1,0,0|2,0,0]=4 322 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB25257 [0,0,1,1,0,0|2,0,0]=4 323 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O PB34748 [0,0,1,1,0,0|2,0,0]=4 324 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB21941 [0,0,1,1,0,0|2,0,0]=4 325 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB31884 [0,0,1,1,0,0|2,0,0]=4 326 B8R1.23 CC(=O)N1CC(C1)N PB34955 [0,0,1,1,0,0|2,0,0]=4 327 B8R1.23 CC(=O)N1CC(C1)O PB10405 [0,0,1,1,0,0|2,0,0]=4 328 B8R1.23 CC1CC(C1)C(=O)O PB21154 [0,0,1,1,0,0|1,0,0]=3 329 B8R1.23 CN1CC(C1)C(=O)O PB25405 [0,0,1,1,0,0|2,0,0]=4 330 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [0,0,1,1,0,0|1,0,0]=3 331 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [0,0,1,1,0,0|1,0,0]=3 332 B8R1.77 CC(=O)C1CC1(F)F AB85494 [0,0,1,1,0,0|2,0,0]=4 333 B8R1.77 CC1(CC1C(=O)O)C AB21127 [0,0,1,1,0,0|1,0,0]=3 334 B8R2.11 C1C2C(C2N)CN1 AB20675 [1,0,0,1,0,0|2,0,0]=4 335 B8R2.11 C1[C@@H]2[C@@H]([C@H]2O)CN1 PB28802 [1,0,0,1,0,0|2,0,0]=4 336 B8R2.18 C1C2C1CC(C2)N PB21479 [1,0,0,1,0,0|1,0,1]=4 337 B8R2.25 C1CNCC2C1C2 PB26945 [1,0,0,1,0,0|1,0,0]=3 338 B8R2.34 C1C[C@@H]2C[C@H]1CN2 MB03646 [1,0,0,1,0,0|1,0,1]=4 339 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB19914 [1,0,0,1,0,0|1,0,1]=4 340 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB27446 [1,0,0,1,0,0|1,0,1]=4 341 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,1,0,1|1,0,0]=3 342 B10R2.62 C1CC2C(CC1CN2)O PB37269 [0,1,0,1,0,0|1,0,1]=4 343 B10R2.62 C1[C@@H]2C(=O)N[C@H](C1)CC2 PB30124 [0,1,0,1,0,0|1,0,1]=4 344 B10R2.62 C1[C@H]2[C@H](CN(C1)CC2)N PB27474 [0,1,0,1,0,0|2,0,0]=4 345 B10R2.314 C1C2C(C2(F)F)CC1=O AB85450 [0,1,0,1,0,0|1,0,0]=3 346 B6R0.2 CC(C)CC(=N)N AB60903 [0,0,1,0,1,0|2,0,0]=4 347 B6R0.2 CC(C)CC(=S)N AB52630 [0,0,1,0,1,0|1,1,0]=4 348 B6R1.2 C1C=CCC1N CB10532 [1,0,0,0,1,0|1,0,1]=4 349 B6R1.2 C1CNCC1=O PB21807 [1,0,0,0,1,0|1,0,0]=3 350 B6R1.2 C1CNCC1F AB27153 [1,0,0,0,1,0|2,0,0]=4 351 B6R1.2 C1CNCC1F PB27633 [1,0,0,0,1,0|2,0,0]=4 352 B6R1.2 C1CNCC1O PB24775 [1,0,0,0,1,0|2,0,0]=4 353 B6R1.2 C1CNC[C@@H]1F AB27158 [1,0,0,0,1,0|2,0,0]=4 354 B6R1.2 C1CNC[C@@H]1F PB23386 [1,0,0,0,1,0|2,0,0]=4 355 B6R1.2 C1CNC[C@@H]1N AB02820 [1,0,0,0,1,0|2,0,0]=4 356 B6R1.2 C1CNC[C@@H]1O PB17129 [1,0,0,0,1,0|2,0,0]=4 357 B6R1.2 C1CNC[C@@H]1O PB18456 [1,0,0,0,1,0|2,0,0]=4 358 B6R1.2 C1CNC[C@H]1F AB27154 [1,0,0,0,1,0|2,0,0]=4 359 B6R1.2 C1CNC[C@H]1F PB20102 [1,0,0,0,1,0|2,0,0]=4 360 B6R1.2 C1CNC[C@H]1N AB02823 [1,0,0,0,1,0|2,0,0]=4 361 B6R1.2 C1CNC[C@H]1O PB30638 [1,0,0,0,1,0|2,0,0]=4 362 B6R1.2 C1CNC[C@H]1O PB32171 [1,0,0,0,1,0|2,0,0]=4 363 B6R1.2 C1COCC1=O PB17440 [1,0,0,0,1,0|1,0,0]=3 364 B6R1.2 C1COCC1Br PB20333 [1,0,0,0,1,0|2,0,0]=4 365 B6R1.2 C1COCC1I PB14773 [1,0,0,0,1,0|2,0,0]=4 366 B6R1.2 C1COCC1N PB27801 [1,0,0,0,1,0|2,0,0]=4 367 B6R1.2 C1COCC1O PB24525 [1,0,0,0,1,0|2,0,0]=4 368 B6R1.2 C1COC[C@@H]1I PB34863 [1,0,0,0,1,0|2,0,0]=4 369 B6R1.2 C1COC[C@@H]1N PB10514 [1,0,0,0,1,0|2,0,0]=4 370 B6R1.2 C1COC[C@@H]1O PB17096 [1,0,0,0,1,0|2,0,0]=4 371 B6R1.2 C1COC[C@H]1I PB22839 [1,0,0,0,1,0|2,0,0]=4 372 B6R1.2 C1COC[C@H]1N PB18852 [1,0,0,0,1,0|2,0,0]=4 373 B6R1.2 C1COC[C@H]1O PB25950 [1,0,0,0,1,0|2,0,0]=4 374 B6R1.2 C1CONC1=O MB10654 [1,0,0,0,1,0|2,0,0]=4 375 B6R1.2 CC1CCCN1 AB44503 [1,0,0,0,1,0|1,0,0]=3 376 B6R1.2 CC1CCNC1 AB41901 [1,0,0,0,1,0|1,0,0]=3 377 B6R1.2 C[C@@H]1CCCN1 AB29488 [1,0,0,0,1,0|1,0,0]=3 378 B6R1.2 C[C@@H]1CCCN1 AB42774 [1,0,0,0,1,0|1,0,0]=3 379 B6R1.2 C[C@@H]1CCNC1 AB29518 [1,0,0,0,1,0|1,0,0]=3 380 B6R1.2 C[C@H]1CCCN1 AB29489 [1,0,0,0,1,0|1,0,0]=3 381 B6R1.2 C[C@H]1CCNC1 AB29522 [1,0,0,0,1,0|1,0,0]=3 382 B6R1.5 C1C(CC1=O)Br PB30412 [0,0,0,0,2,0|1,0,0]=3 383 B6R1.5 C1C(CC1=O)F PB36975 [0,0,0,0,2,0|1,0,0]=3 384 B6R1.5 C1C(CC1=O)N PB20766 [0,0,0,0,2,0|1,0,0]=3