0 B6R0.1 F[C@H](CN)COC ACF022189 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CC(CC=O)C ACS015719 [1,0,0,0,0,0|1,0,2]=4 2 B5R0.1 COCC(=O)N ACS015711 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 ClCCC(=O)O ACS015651 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 OCCC(=O)O ACS011495 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.2 BrCCCC#N ACS017125 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.2 BrCCCCBr ACS015666 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.2 BrCCCOC ACS011423 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.2 CCCCCC ACS015704 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.2 CNCCC#N ACS015717 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 COCCOC ACS015683 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.3 BrC(C=O)C=O ACS015637 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.3 NC(CO)CC ACS011654 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.3 O=C[C@@H](O)CO ACS010919 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.3 O=C[C@@H](O)CO ACS010920 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.5 C(C#C)[C@@H](N)C(=O)O ACS012163 [0,1,0,0,0,0|1,0,2]=4 16 B7R0.5 C(C(=O)N)(=S)OCC ACS023710 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.11 CC(C=O)(CC=C)C ACS024109 [0,1,0,0,0,0|0,0,2]=3 18 B7R1.1 BrCC1CCCC1 ACS010449 [0,0,0,1,0,0|1,0,1]=3 19 B7R1.1 C(C1CCCO1)O ACS011003 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.1 C1(CCCC1)C#N ACS016748 [0,0,0,1,0,0|1,0,1]=3 21 B7R1.1 C1(CCCC1)C=O ACS012176 [0,0,0,1,0,0|0,0,0]=1 22 B7R1.1 C1(CCCC1)CO ACS010445 [0,0,0,1,0,0|0,0,2]=3 23 B7R1.1 C1C[C@@H](NC1)CO ACS010976 [0,0,0,1,0,0|1,0,2]=4 24 B7R1.1 COC1NCCC1 ACS015365 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.1 FCC1NCCC1 ACF021659 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.1 FC[C@@H]1NCCC1 ACF021195 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.1 FC[C@@H]1NCCC1 ACF021196 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.1 FC[C@H]1NCCC1 ACF021193 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.1 FC[C@H]1NCCC1 ACF021194 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.3 C1(C=CCCC1)=O ACS015663 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.3 CC1NCCCC1 ACS011067 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.3 CC1NCCNC1 ACS017193 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.3 C[C@@H]1CNCCO1 ACS011821 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.3 C[C@@H]1NCCOC1 ACS011439 [0,0,0,1,0,0|1,0,2]=4 35 B7R1.3 C[C@@H]1NCCOC1 ACS011835 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.3 C[C@H]1CNCCO1 ACS011820 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.3 C[C@H]1NCCOC1 ACS011438 [0,0,0,1,0,0|1,0,2]=4 38 B7R1.3 C[C@H]1NCCOC1 ACS011837 [0,0,0,1,0,0|1,0,2]=4 39 B7R1.3 FC1CNCCC1 ACF021031 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.3 F[C@@H]1CNCCC1 ACF021039 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.3 F[C@H]1CNCCC1 ACF021040 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.3 N[C@@H]1CNCCC1 ACS011446 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 N[C@H]1CNCCC1 ACS010429 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.3 O[C@H]1CNCCC1 ACS011433 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.4 CN1C(CCC1)=O ACS015379 [0,0,0,1,0,0|1,0,0]=2 46 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022236 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022237 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021523 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021524 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021525 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021528 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021529 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021530 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.4 F[C@H]1[C@H](CCC1)N ACF021526 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.4 F[C@H]1[C@H](CCC1)N ACF021527 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.4 O[C@@H]1C(NCC1)=O ACS024173 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.6 FCCC1CNC1 ACF023592 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.10 C(#C)C1CC(C1)F ACF022352 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.10 FC1CC(C1)C#N ACF022353 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.10 FC1CC(C1)CN ACF022873 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.10 NC[C@@H]1C[C@H](F)C1 ACF022874 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.10 NC[C@H]1C[C@H](F)C1 ACF022875 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.22 C1(CC1)C(CO)F ACF022312 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.25 FC1(CCC1)CN ACF022213 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.25 FCC1(CNC1)C ACF023586 [0,0,0,1,0,0|2,0,1]=4 66 B4R0.1 BrCC(C)=O ACS012097 [2,0,0,0,0,0|1,0,1]=4 67 B4R0.1 C(C(C)C)#N ACS015707 [2,0,0,0,0,0|1,0,1]=4 68 B4R0.1 C(C)(C)NN ACS014063 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.1 C(CC)(=O)Cl ACS013417 [2,0,0,0,0,0|1,0,1]=4 70 B4R0.1 C[C@H](CO)Cl ACS011129 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.1 C[C@H](CO)O ACS010855 [2,0,0,0,0,0|1,0,1]=4 72 B4R0.1 ClC[C@@H](C)O ACS011608 [2,0,0,0,0,0|1,0,1]=4 73 B4R0.1 ClC[C@H](C)O ACS011609 [2,0,0,0,0,0|1,0,1]=4 74 B4R0.1 N[C@@H](C)CO ACS010824 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.2 BrCCCCl ACS015639 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.2 C(/C=C/C)=O ACS015659 [2,0,0,0,0,0|0,0,2]=4 77 B4R0.2 C(=C)OCC ACS015700 [2,0,0,0,0,0|1,0,1]=4 78 B4R0.2 C(=O)OCC ACS015696 [2,0,0,0,0,0|1,0,0]=3 79 B4R0.2 C(CCC)=O ACS015647 [2,0,0,0,0,0|0,0,0]=2 80 B4R0.2 C(CCC)O ACS015648 [2,0,0,0,0,0|0,0,1]=3 81 B4R0.2 CCOCC ACF015760 [2,0,0,0,0,0|1,0,0]=3 82 B4R0.2 FCCCO ACF017205 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.3 CC(C)[C@H](CO)N ACS010843 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.4 C(C)(C)NCCN ACS011159 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.4 ClCCCC(=O)Cl ACS013379 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.5 CCCS(=O)(=O)Cl ACS012105 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.6 BrCCCCCBr ACS015667 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.6 C(=C)OCCCN ACS015636 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.8 BrC(C=O)(CC)Br ACS015664 [1,1,0,0,0,0|1,0,0]=3 90 B6R0.8 BrC(CC)(CC)C ACS024476 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.8 OCC(C=O)(C)C ACS012227 [1,1,0,0,0,0|1,0,0]=3 92 B6R0.9 CCC(CC)NC ACS024014 [1,1,0,0,0,0|1,0,1]=4 93 B8R0.2 NC(C(C)CC)C(=O)O ACS011489 [0,2,0,0,0,0|1,0,0]=3 94 B8R0.2 O=C([C@H](O)[C@@H](O)CO)O ACS011897 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.3 BrC(C(=O)OC)CCBr ACS015669 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.12 CC(C(=O)O)(CC=C)C ACS011514 [0,2,0,0,0,0|0,0,2]=4 97 B8R0.12 FC(C(=O)O)(COC)F ACF021212 [0,2,0,0,0,0|2,0,0]=4 98 B8R0.12 NCCC(C(=O)O)(C)C ACS019564 [0,2,0,0,0,0|1,0,0]=3 99 B8R0.22 C(C)OC(C=C)OCC ACS015771 [0,2,0,0,0,0|2,0,0]=4 100 B6R1.2 BrC1CCCC1 ACS015617 [1,0,0,1,0,0|1,0,0]=3 101 B6R1.2 BrC1COCC1 ACS019129 [1,0,0,1,0,0|2,0,0]=4 102 B6R1.2 C1(CCCC1)=O ACS012220 [1,0,0,1,0,0|0,0,1]=3 103 B6R1.2 C1COC[C@@H]1O ACS010999 [1,0,0,1,0,0|1,0,1]=4 104 B6R1.2 CC1CCCO1 ACS011384 [1,0,0,1,0,0|0,0,1]=3 105 B6R1.2 F[C@@H]1CNCC1 ACF021035 [1,0,0,1,0,0|2,0,0]=4 106 B6R1.2 F[C@@H]1CNCC1 ACF021036 [1,0,0,1,0,0|2,0,0]=4 107 B6R1.2 F[C@H]1CNCC1 ACF021037 [1,0,0,1,0,0|2,0,0]=4 108 B6R1.2 F[C@H]1CNCC1 ACF021038 [1,0,0,1,0,0|2,0,0]=4 109 B6R1.2 NC1NCCC1 ACS015261 [1,0,0,1,0,0|2,0,0]=4 110 B6R1.2 O1C[C@@H](CC1)N ACS011703 [1,0,0,1,0,0|2,0,0]=4 111 B6R1.2 O1C[C@@H](CC1)N ACS020283 [1,0,0,1,0,0|2,0,0]=4 112 B6R1.2 O1C[C@H](CC1)N ACS011673 [1,0,0,1,0,0|2,0,0]=4 113 B6R1.2 O[C@@H]1CNCC1 ACS024239 [1,0,0,1,0,0|1,0,1]=4 114 B6R1.2 S1CC(CC1)=O ACS010816 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.3 C1(CC1)CCO ACS016870 [1,0,0,1,0,0|1,0,1]=4 116 B6R1.3 ICCC1CC1 ACS016871 [1,0,0,1,0,0|1,0,1]=4 117 B6R1.5 CN1CC(C1)O ACS023900 [1,0,0,1,0,0|1,0,1]=4 118 B6R1.5 FC1CC(C1)=O ACF021232 [1,0,0,1,0,0|1,0,1]=4 119 B6R1.5 FC1CC(C1)N ACF021053 [1,0,0,1,0,0|2,0,0]=4 120 B6R1.5 FC1CC(C1)N ACF021054 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.5 FC1CC(C1)O ACF021435 [1,0,0,1,0,0|1,0,1]=4 122 B6R1.5 F[C@@H]1C[C@H](C1)N ACF022995 [1,0,0,1,0,0|2,0,0]=4 123 B6R1.5 F[C@@H]1C[C@H](C1)N ACF022996 [1,0,0,1,0,0|2,0,0]=4 124 B6R1.5 F[C@@H]1C[C@H](C1)O ACF023004 [1,0,0,1,0,0|1,0,1]=4 125 B6R1.5 F[C@H]1C[C@H](C1)N ACF022997 [1,0,0,1,0,0|2,0,0]=4 126 B6R1.5 F[C@H]1C[C@H](C1)N ACF022998 [1,0,0,1,0,0|2,0,0]=4 127 B6R1.5 F[C@H]1C[C@H](C1)O ACF023003 [1,0,0,1,0,0|1,0,1]=4 128 B6R1.11 C1(CC1)C(=O)Cl ACS016497 [1,0,0,1,0,0|1,0,1]=4 129 B6R1.11 C1(CC1)C(=O)N ACS014088 [1,0,0,1,0,0|1,0,1]=4 130 B6R1.1 C1CCCCC1 ACS015629 [1,0,0,1,0,0|1,0,1]=4 131 B6R1.1 N1CCCCC1 ACS015386 [1,0,0,1,0,0|1,0,1]=4 132 B6R1.1 O1CCCC=C1 ACS011241 [1,0,0,1,0,0|0,0,2]=4 133 B6R1.6 C1(CCC1)CBr ACS012071 [1,0,0,1,0,0|1,0,1]=4 134 B6R1.6 C1(CCC1)CO ACS023762 [1,0,0,1,0,0|0,0,2]=4 135 B8R1.4 CC1NCCC(C1)=O ACF023329 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.4 C[C@@H]1NCCC(C1)=O ACF021329 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.4 FC1CC(CCC1)=O ACF021887 [0,1,0,1,0,0|1,0,0]=3 138 B8R1.4 FC1CC(NCC1)C ACF021430 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.4 NC1CC(NCC1)=O ACF020997 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.53 FC1(CC(C1)C=O)F ACF023464 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.2 BrCC1CCCCC1 ACS010448 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.2 C1(CCCCC1)C=O ACS010444 [0,1,0,1,0,0|0,0,0]=2 143 B8R1.2 C1(CCCCC1)CN ACS011969 [0,1,0,1,0,0|1,0,1]=4 144 B8R1.2 C1(CCCCC1)CO ACS010446 [0,1,0,1,0,0|0,0,2]=4 145 B8R1.2 C1(CCCCC1)NN ACS019314 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.2 C1(CCCCC1)NN ACS019315 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.2 C1CNCCC1NN ACF024029 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.2 CNC1CCOCC1 ACS017285 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.2 FCC1CCNCC1 ACF022799 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.2 FCC1CCNCC1 ACF022800 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.2 FCC1NCCCC1 ACF021381 [0,1,0,1,0,0|1,0,1]=4 152 B8R1.2 FC[C@@H]1NCCCC1 ACF021383 [0,1,0,1,0,0|1,0,1]=4 153 B8R1.2 FC[C@H]1NCCCC1 ACF021382 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.2 N1CC(CCC1)C#N ACS023820 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.2 N1CCC(CC1)CO ACS015387 [0,1,0,1,0,0|0,0,2]=4 156 B8R1.2 O1CC(CCC1)C=O ACS018957 [0,1,0,1,0,0|0,0,0]=2 157 B8R1.2 O1CCC(CC1)NN ACS017238 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.5 CN1C(=NCCC1)C ACS011606 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.5 CN1C(CNCC1)=O ACS023988 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.5 FC1CNCCC1=O ACF023013 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.5 FC1CNCCC1=O ACF023014 [0,1,0,1,0,0|1,0,0]=3 162 B8R1.5 FC1COCCC1=O ACF022896 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.5 F[C@@H]1CNCCC1=O ACF021609 [0,1,0,1,0,0|1,0,0]=3 164 B8R1.5 F[C@@H]1COCCC1=O ACF021595 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.5 F[C@H]1CNCCC1=O ACF023403 [0,1,0,1,0,0|1,0,0]=3 166 B8R1.5 F[C@H]1COCCC1=O ACF021594 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.38 FC(CC)C1CNC1 ACF023602 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.50 CN1CCN(C1=O)C ACS011057 [0,1,0,1,0,0|1,0,0]=3 169 B8R1.52 FC1(CCCC1)CO ACF020873 [0,1,0,1,0,0|0,0,2]=4 170 B8R1.7 C1C(NCS1)C(=O)O ACS011131 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.7 N1C(CCC1)C(=O)O ACS015390 [0,1,0,1,0,0|1,0,0]=3 172 B8R1.7 N1CC(CC1)C(=O)O ACS011337 [0,1,0,1,0,0|1,0,0]=3 173 B8R1.7 N1CC(CC1)C(=O)O ACS024190 [0,1,0,1,0,0|1,0,0]=3 174 B8R1.7 O1C(CCC1)C(=O)O ACS011004 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.23 FC1CC(C1)C(=O)O ACF021052 [0,1,0,1,0,0|1,0,0]=3 176 B8R1.23 O=C1CC(C1)C(=O)O ACS011617 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.78 FC1(CNC1)C(=O)O ACF022869 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.78 NC1(CCC1)C(=O)F ACF023482 [0,1,0,1,0,0|1,0,0]=3 179 B8R1.11 N[C@@H]1[C@@H](CCC1)C#N ACF021450 [0,1,0,1,0,0|1,0,1]=4 180 B8R2.34 C12C=CC(CC1)C2 ACS015598 [0,0,0,2,0,0|1,0,0]=3 181 B8R2.34 C12NCC(CC1)C2 ACS023933 [0,0,0,2,0,0|1,0,1]=4