0 B8R1.3 C1CC(=O)CCC1=O BC207860 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.3 C1CC(=O)NCC1=O BC677922 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.3 C1CC(=O)NC[C@@H]1O BC659466 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.3 C1[C@@H](CC[C@H](C1)N)N BC676644 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.3 C1[C@@H](CC[C@H](C1)O)N BC207753 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.3 C1[C@@H](CC[C@H](C1)O)N BC684348 [0,0,0,0,0,0|1,0,2]=3 6 B8R1.3 CC1CCC(=O)CC1 BC219613 [0,0,0,0,0,0|0,0,0]=0 7 B8R1.3 CC1CCC(CC1)N BC214314 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.3 CN1CCC(=O)CC1 BC205734 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.3 CN1CCC(CC1)N BC205813 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.3 CN1CCC(CC1)O BC205735 [0,0,0,0,0,0|1,0,2]=3 11 B8R1.3 C[C@@H]1CN[C@H](CN1)C BC209523 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.3 C1C=COCC1=O BC245013 [1,0,0,0,0,0|1,0,2]=4 13 B7R1.3 C1CC(=O)CNC1 BC677163 [1,0,0,0,0,0|1,0,0]=2 14 B7R1.3 C1CC(CNC1)N BC205656 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.3 C1CC(CNC1)N BC226535 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.3 C1CC(COC1)O BC666036 [1,0,0,0,0,0|1,0,2]=4 17 B7R1.3 C1CCC(=O)CC1 BC214118 [1,0,0,0,0,0|0,0,0]=1 18 B7R1.3 C1CCC(CC1)N BC206665 [1,0,0,0,0,0|1,0,1]=3 19 B7R1.3 C1CCNC(C1)O BC219297 [1,0,0,0,0,0|1,0,2]=4 20 B7R1.3 C1CNC(=O)CN1 BC204568 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 C1CNCCC1=O BC222569 [1,0,0,0,0,0|1,0,0]=2 22 B7R1.3 C1CNCCC1F BC248008 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 C1CNCCC1N BC205815 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 C1CNCCC1N BC219304 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.3 C1CNCCC1O BC274718 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 C1COC(=O)CO1 BC683885 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 C1COC(=O)OC1 BC201342 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 C1COCCC1=O BC210699 [1,0,0,0,0,0|1,0,0]=2 29 B7R1.3 C1COCCC1N BC653013 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 C1COCCC1N BC678841 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.3 C1COCCC1N BC681680 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.3 C1COCCC1O BC653702 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.3 C1C[C@@H](CNC1)O BC208981 [1,0,0,0,0,0|1,0,2]=4 34 B7R1.3 C1C[C@H](CNC1)N BC209976 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.3 C1C[C@H](CNC1)O BC679086 [1,0,0,0,0,0|1,0,2]=4 36 B7R1.3 CC1CCCCN1 BC200305 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.3 CC1CCNCC1 BC208968 [1,0,0,0,0,0|1,0,0]=2 38 B7R1.3 CC1COCCN1 BC678917 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.3 CN1CCOCC1 BC202650 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.3 C[C@@H]1COCCN1 BC239042 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.3 C[C@@H]1COCCN1 BC640295 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.3 C[C@H]1CCCCN1 BC209006 [1,0,0,0,0,0|1,0,1]=3 43 B7R1.3 C[C@H]1CCCNC1 BC208984 [1,0,0,0,0,0|1,0,1]=3 44 B7R1.3 C[C@H]1CNCCN1 BC200168 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.1 CCN1CCC(=O)CC1 BC683778 [0,1,0,0,0,0|1,0,0]=2 46 B9R1.1 CCN1CCC(CC1)O BC219294 [0,1,0,0,0,0|1,0,2]=4 47 B9R1.1 CN1CCC(CC1)CO BC203586 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.1 CNC1CCN(CC1)C BC679612 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.10 C1CC(CCC1=O)(F)F BC668157 [0,1,0,0,0,0|1,0,0]=2 50 B9R1.10 C1CC(CCC1N)(F)F BC257488 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.10 C1CC(CCC1O)(F)F BC645437 [0,1,0,0,0,0|1,0,2]=4 52 B9R1.10 C1CS(=O)(=O)CCC1=O BC678839 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.69 CC1CN(CCC1=O)C BC208022 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.3 CCCCC(=O)NN BC211453 [0,0,1,0,0,0|2,0,0]=3 55 B7R0.3 COCCC(=O)OC BC210937 [0,0,1,0,0,0|2,0,0]=3 56 B7R0.6 CC(=O)CCC(=O)C BC676318 [0,0,1,0,0,0|1,0,1]=3 57 B7R0.6 CC(=O)CCC(=O)O BC216409 [0,0,1,0,0,0|2,0,1]=4 58 B7R0.6 CC(=O)CNC(=O)C BC220001 [0,0,1,0,0,0|2,0,1]=4 59 B7R0.6 CC(C)COC(=O)Cl BC226048 [0,0,1,0,0,0|2,0,0]=3 60 B7R0.6 C[S+](C)CCC(=O)O BC215874 [0,0,1,0,0,0|2,0,0]=3 61 B9R2.49 C1CN2CCN1CC2 BC220310 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.2 C1CC(=O)OC1=O BC676904 [0,0,0,0,1,0|2,0,1]=4 63 B7R1.2 C1C[C@@H](C[C@H]1N)O BC243140 [0,0,0,0,1,0|1,0,2]=4 64 B7R1.2 C1C[C@H](C[C@@H]1N)O BC666823 [0,0,0,0,1,0|1,0,2]=4 65 B7R1.2 C1C[C@H](C[C@H]1N)O BC243224 [0,0,0,0,1,0|1,0,2]=4 66 B7R1.2 C1[C@@H](CNC1=O)O BC206869 [0,0,0,0,1,0|2,0,0]=3 67 B7R1.2 C1[C@H](CNC1=O)O BC676893 [0,0,0,0,1,0|2,0,0]=3 68 B7R1.2 CC1=CC(=O)CC1 BC243785 [0,0,0,0,1,0|0,0,2]=3 69 B7R1.2 CC1=CCC(=O)O1 BC205542 [0,0,0,0,1,0|1,0,2]=4 70 B7R1.2 CC1=NNC(=O)C1 BC649952 [0,0,0,0,1,0|2,0,1]=4 71 B7R1.2 CN1CCC(C1)O BC202129 [0,0,0,0,1,0|1,0,2]=4 72 B7R1.2 CN1CC[C@H](C1)N BC208658 [0,0,0,0,1,0|2,0,1]=4 73 B9R1.49 CN1CCC(=O)NCC1 BC220706 [0,0,0,0,0,1|1,0,0]=2 74 B6R0.1 CCOC(=O)CBr BC206664 [1,0,1,0,0,0|2,0,0]=4 75 B6R0.1 CCOC(=O)CN BC676695 [1,0,1,0,0,0|2,0,0]=4 76 B6R0.1 COC(=O)CCS BC219495 [1,0,1,0,0,0|2,0,0]=4 77 B6R0.4 C(CC(=O)O)CBr BC219750 [1,0,1,0,0,0|2,0,0]=4 78 B6R0.4 C(CC(=O)O)CN BC204189 [1,0,1,0,0,0|2,0,0]=4 79 B6R0.4 CC(=O)OCCBr BC677702 [1,0,1,0,0,0|2,0,0]=4 80 B6R0.4 CC(C)CCCBr BC219799 [1,0,1,0,0,0|1,0,1]=4 81 B6R0.6 CCCCCCS BC231905 [1,0,1,0,0,0|0,1,1]=4 82 B6R0.6 CCCNCCC BC219597 [1,0,1,0,0,0|1,0,1]=4 83 B6R0.6 CCC\C=C\C=O BC231929 [1,0,1,0,0,0|0,0,2]=4 84 B6R1.1 C1CC=COC1 BC208296 [2,0,0,0,0,0|1,0,1]=4 85 B6R1.1 C1COCCN1 BC630685 [2,0,0,0,0,0|2,0,0]=4 86 B6R1.1 C1CSCSC1 BC219460 [2,0,0,0,0,0|2,0,0]=4 87 B8R0.1 CCOC(=O)CCCN BC200163 [0,1,1,0,0,0|1,0,0]=3 88 B8R0.1 CCOCC(=O)OCC BC224632 [0,1,1,0,0,0|1,0,0]=3 89 B8R0.3 COC(=O)C(CCBr)Br BC243321 [0,1,1,0,0,0|2,0,0]=4 90 B8R0.3 COC(=O)[C@@H](CCCl)N BC222662 [0,1,1,0,0,0|2,0,0]=4 91 B8R0.3 COCC(C(=O)OC)N BC654794 [0,1,1,0,0,0|2,0,0]=4 92 B8R0.6 CCCCOC(=O)C=O BC202578 [0,1,1,0,0,0|1,0,1]=4 93 B8R0.6 COC(=O)COCCCl BC214305 [0,1,1,0,0,0|2,0,0]=4 94 B8R0.11 CCCCC(CC)CN BC201132 [0,1,1,0,0,0|1,0,1]=4 95 B8R0.19 CCC(=O)CC(=O)OC BC651002 [0,1,1,0,0,0|1,0,1]=4 96 B8R0.19 COC(=O)C[C@@H](CBr)O BC201655 [0,1,1,0,0,0|2,0,0]=4 97 B8R0.23 CC(C)CC(=O)C(=O)[O-] BC219743 [0,1,1,0,0,0|1,0,1]=4 98 B8R0.23 CC(C)C[C@@H](C(=O)O)N BC201485 [0,1,1,0,0,0|1,0,0]=3 99 B8R1.2 C1CC(CNC1)CN BC219301 [1,1,0,0,0,0|1,0,1]=4 100 B8R1.2 C1CC(CNC1)CN BC677271 [1,1,0,0,0,0|1,0,1]=4 101 B8R1.2 C1CC(CNC1)CO BC202762 [1,1,0,0,0,0|1,0,1]=4 102 B8R1.2 C1CCC(CC1)C#N BC213503 [1,1,0,0,0,0|0,0,2]=4 103 B8R1.2 C1CCC(CC1)C=O BC205561 [1,1,0,0,0,0|0,0,1]=3 104 B8R1.2 C1CCC(CC1)NN BC657075 [1,1,0,0,0,0|1,0,1]=4 105 B8R1.2 C1CN(CCN1)C=O BC220308 [1,1,0,0,0,0|2,0,0]=4 106 B8R1.2 C1CNCCC1C=O BC675947 [1,1,0,0,0,0|1,0,1]=4 107 B8R1.2 C1CNCCC1CBr BC654630 [1,1,0,0,0,0|1,0,0]=3 108 B8R1.2 C1COCCC1CN BC684473 [1,1,0,0,0,0|1,0,0]=3 109 B8R1.2 C1COCCC1CO BC650897 [1,1,0,0,0,0|1,0,0]=3 110 B8R1.2 CCN1CCNCC1 BC226158 [1,1,0,0,0,0|2,0,0]=4 111 B8R1.2 CNC1CCCNC1 BC214780 [1,1,0,0,0,0|1,0,1]=4 112 B8R1.2 CNC1CCNCC1 BC201223 [1,1,0,0,0,0|1,0,0]=3 113 B8R1.2 CNC1CCOCC1 BC645227 [1,1,0,0,0,0|1,0,0]=3 114 B8R1.4 C1CC(CC(C1)O)N BC677022 [1,1,0,0,0,0|0,0,2]=4 115 B8R1.4 C1CNC(=O)CC1N BC678826 [1,1,0,0,0,0|1,0,0]=3 116 B8R1.4 C1CNC(=O)CC1O BC678827 [1,1,0,0,0,0|1,0,0]=3 117 B8R1.4 CN1CCCC(C1)O BC219296 [1,1,0,0,0,0|1,0,1]=4 118 B8R1.4 C[C@H]1CCC[C@@H](N1)C BC219288 [1,1,0,0,0,0|1,0,1]=4 119 B8R1.5 C1CCC(=O)C(=O)C1 BC680226 [1,1,0,0,0,0|0,0,1]=3 120 B8R1.5 C1CCC(=O)C(C1)Br BC221238 [1,1,0,0,0,0|0,0,0]=2 121 B8R1.5 C1CCC(C(C1)N)N BC226565 [1,1,0,0,0,0|1,0,1]=4 122 B8R1.5 C1CCN(C(=O)C1)N BC682035 [1,1,0,0,0,0|1,0,0]=3 123 B8R1.5 C1CC[C@@H]([C@H](C1)N)N BC226567 [1,1,0,0,0,0|1,0,1]=4 124 B8R1.5 C1CC[C@H]([C@@H](C1)N)N BC213280 [1,1,0,0,0,0|1,0,1]=4 125 B8R1.5 C1CC[C@H]([C@@H](C1)N)N BC653693 [1,1,0,0,0,0|1,0,1]=4 126 B8R1.5 C1CN(C(=O)OC1)N BC636881 [1,1,0,0,0,0|2,0,0]=4 127 B8R1.5 C1COCC(C1=O)O BC600171 [1,1,0,0,0,0|1,0,0]=3 128 B8R1.5 CC1CCCCC1O BC219008 [1,1,0,0,0,0|0,0,1]=3 129 B8R1.5 CC1CNCCC1=O BC219286 [1,1,0,0,0,0|1,0,0]=3 130 B8R1.5 C[C@@H]1CCCC[C@H]1N BC219611 [1,1,0,0,0,0|0,0,1]=3 131 B8R1.72 C1CCS(=O)(=O)OC1 BC222891 [1,1,0,0,0,0|2,0,0]=4 132 B8R1.72 C1CNCCC1(F)F BC222523 [1,1,0,0,0,0|2,0,0]=4 133 B8R1.72 C1CNCCC1(F)F BC645447 [1,1,0,0,0,0|2,0,0]=4 134 B8R1.72 C1CNCCC1(O)O BC205744 [1,1,0,0,0,0|2,0,0]=4 135 B8R1.72 C1CS(=O)(=O)CCN1 BC207358 [1,1,0,0,0,0|2,0,0]=4 136 B8R1.72 C1CS(=O)(=O)CCN1 BC245321 [1,1,0,0,0,0|2,0,0]=4 137 B8R1.72 C[N+]1(CCOCC1)[O-] BC630680 [1,1,0,0,0,0|2,0,0]=4 138 B8R1.1 C1CC(=O)N[C@H]1CO BC676884 [0,1,0,0,1,0|1,0,0]=3 139 B10R1.1 CN1CCC(CC1)CCN BC627316 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.3 C1[C@@H](CCC(C1)CO)CO BC215698 [0,2,0,0,0,0|0,0,2]=4 141 B10R1.13 C1CC(=O)CCC1C(=O)O BC206441 [0,2,0,0,0,0|0,0,1]=3 142 B10R1.13 C1CC(CCC1C(=O)O)O BC200625 [0,2,0,0,0,0|1,0,1]=4 143 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O BC645886 [0,2,0,0,0,0|1,0,1]=4 144 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O BC684720 [0,2,0,0,0,0|1,0,1]=4 145 B10R1.13 CN1CCC(CC1)C(=O)O BC676846 [0,2,0,0,0,0|1,0,1]=4 146 B10R1.26 C1CC(CCC1CN)(F)F BC686614 [0,2,0,0,0,0|1,0,1]=4 147 B8R1.22 C1CC(=O)CCNC1 BC220436 [0,0,1,1,0,0|1,0,0]=3 148 B8R1.22 C1CCCC(=O)CC1 BC219858 [0,0,1,1,0,0|0,0,0]=2 149 B8R1.22 C1CNCCNC1=O BC270533 [0,0,1,1,0,0|2,0,0]=4 150 B8R1.22 C1COCC(=O)CO1 BC686130 [0,0,1,1,0,0|2,0,0]=4 151 B8R1.38 COC(=O)C1CNC1 BC678556 [0,0,1,1,0,0|2,0,0]=4 152 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC233488 [0,0,1,1,0,0|2,0,0]=4 153 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC670712 [0,0,1,1,0,0|2,0,0]=4 154 B8R1.77 CC1(C[C@@H]1C(=O)N)C BC205635 [0,0,1,1,0,0|1,0,0]=3 155 B8R2.25 C1CCC2C(C1)O2 BC211222 [1,0,0,1,0,0|0,0,2]=4 156 B10R2.62 C1CN2CCC1C(=O)C2 BC211813 [0,1,0,1,0,0|1,0,1]=4 157 B10R2.62 C1CN2CCC1C(=O)C2 BC220405 [0,1,0,1,0,0|1,0,1]=4 158 B10R2.62 C1CN2CCC1[C@@H](C2)N BC220424 [0,1,0,1,0,0|2,0,0]=4 159 B10R2.62 C1CN2CCC1[C@@H](C2)O BC225530 [0,1,0,1,0,0|2,0,0]=4 160 B10R2.62 C1CN2CCC1[C@H](C2)N BC225531 [0,1,0,1,0,0|2,0,0]=4 161 B10R2.62 C1CN2CCC1[C@H](C2)O BC225526 [0,1,0,1,0,0|2,0,0]=4 162 B6R0.2 CC(C)CC(=O)O BC677309 [0,0,1,0,1,0|1,0,0]=3 163 B6R0.2 CC(CC(=O)O)N BC233414 [0,0,1,0,1,0|2,0,0]=4 164 B6R0.2 CC(CC(=O)O)N BC675902 [0,0,1,0,1,0|2,0,0]=4 165 B6R0.2 CC(OC(=O)C)Br BC650646 [0,0,1,0,1,0|2,0,0]=4 166 B6R0.2 CN(C)CC(=O)Cl BC252135 [0,0,1,0,1,0|2,0,0]=4 167 B6R0.2 C[C@@H](CC(=O)O)N BC227921 [0,0,1,0,1,0|2,0,0]=4 168 B6R0.2 C[C@H](CC(=O)O)N BC677178 [0,0,1,0,1,0|2,0,0]=4 169 B6R1.2 C1C=CCC1O BC649956 [1,0,0,0,1,0|1,0,1]=4 170 B6R1.2 C1CC(=O)C=C1 BC652225 [1,0,0,0,1,0|0,0,2]=4 171 B6R1.2 C1CC(=O)NC1 BC225697 [1,0,0,0,1,0|1,0,0]=3 172 B6R1.2 C1CCC(C1)Cl BC221902 [1,0,0,0,1,0|1,0,0]=3 173 B6R1.2 C1CNC(=O)N1 BC202712 [1,0,0,0,1,0|2,0,0]=4 174 B6R1.2 C1CNCC1=O BC208274 [1,0,0,0,1,0|1,0,0]=3 175 B6R1.2 C1CNCC1O BC208993 [1,0,0,0,1,0|2,0,0]=4 176 B6R1.2 C1CNC[C@@H]1O BC677867 [1,0,0,0,1,0|2,0,0]=4 177 B6R1.2 C1CNC[C@@H]1O BC678742 [1,0,0,0,1,0|2,0,0]=4 178 B6R1.2 C1CNC[C@H]1O BC201989 [1,0,0,0,1,0|2,0,0]=4 179 B6R1.2 C1CNC[C@H]1O BC677872 [1,0,0,0,1,0|2,0,0]=4 180 B6R1.2 C1COCC1=O BC244549 [1,0,0,0,1,0|1,0,0]=3 181 B6R1.2 C1COCC1O BC201032 [1,0,0,0,1,0|2,0,0]=4 182 B6R1.2 C1COC[C@@H]1N BC675401 [1,0,0,0,1,0|2,0,0]=4 183 B6R1.2 C1COC[C@@H]1O BC678095 [1,0,0,0,1,0|2,0,0]=4 184 B6R1.2 C1COC[C@H]1N BC213397 [1,0,0,0,1,0|2,0,0]=4 185 B6R1.2 C1COC[C@H]1O BC206872 [1,0,0,0,1,0|2,0,0]=4 186 B6R1.2 C1COC[C@H]1O BC623081 [1,0,0,0,1,0|2,0,0]=4 187 B6R1.2 CC1CCCN1 BC208988 [1,0,0,0,1,0|1,0,0]=3 188 B6R1.2 CC1CCCO1 BC205640 [1,0,0,0,1,0|1,0,0]=3 189 B6R1.2 C[C@@H]1CCCN1 BC677871 [1,0,0,0,1,0|1,0,0]=3 190 B6R1.2 C[C@H]1CCCN1 BC208991 [1,0,0,0,1,0|1,0,0]=3 191 B8R0.28 CC(C)CCNC(=O)C BC600079 [0,0,1,0,0,1|0,0,0]=2 192 B8R0.28 CC(C)C[Al+]CC(C)C BC200546 [0,0,1,0,0,1|1,0,1]=4