0 B5R0.2 BrCCCC#N ACS017125 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 BrCCCCBr ACS015666 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.2 BrCCCOC ACS011423 [0,0,0,0,0,0|1,1,0]=2 3 B5R0.2 CCCCCC ACS015704 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.2 CNCCC#N ACS015717 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.2 COCCOC ACS015683 [0,0,0,0,0,0|2,1,0]=3 6 B4R0.2 BrCCCCl ACS015639 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.2 C(=C)OCC ACS015700 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.2 C(=O)OCC ACS015696 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.2 C(CCC)=O ACS015647 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.2 C(CCC)O ACS015648 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.2 CCOCC ACF015760 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 CNCC#C ACS015721 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.2 COCC#N ACS013800 [1,0,0,0,0,0|0,1,2]=4 14 B4R0.2 FCCCO ACF017205 [1,0,0,0,0,0|1,1,0]=3 15 B6R0.1 C(C)OC(CN)=O ACS015702 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.1 F[C@H](CN)COC ACF022189 [0,1,0,0,0,0|0,1,0]=2 17 B6R0.4 C(C)(C)NCCN ACS011159 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.4 ClCCCC(=O)Cl ACS013379 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.6 BrCCCCCBr ACS015667 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.6 C(=C)OCCCN ACS015636 [0,1,0,0,0,0|0,1,1]=3 21 B6R0.6 C(COCCO)O ACS015677 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.6 ClCCOCCCl ACS015653 [0,1,0,0,0,0|3,0,0]=4 23 B6R1.1 C1CCCCC1 ACS015629 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.1 N1CCCCC1 ACS015386 [0,0,0,1,0,0|1,0,0]=2 25 B6R1.1 N1CCNCC1 ACS015385 [0,0,0,1,0,0|2,0,0]=3 26 B6R1.1 N1CCOCC1 ACS011668 [0,0,0,1,0,0|2,0,0]=3 27 B6R1.1 N1CCSCC1 ACS011722 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.1 O1CCCC=C1 ACS011241 [0,0,0,1,0,0|1,1,1]=4 29 B6R1.2 BrC1CCCC1 ACS015617 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.2 BrC1COCC1 ACS019129 [0,0,0,1,0,0|1,1,0]=3 31 B6R1.2 C1(CCCC1)=O ACS012220 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.2 C1COC[C@@H]1O ACS010999 [0,0,0,1,0,0|1,1,0]=3 33 B6R1.2 CC1CCCO1 ACS011384 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.2 F[C@@H]1CNCC1 ACF021035 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.2 F[C@@H]1CNCC1 ACF021036 [0,0,0,1,0,0|2,0,0]=3 36 B6R1.2 F[C@H]1CNCC1 ACF021037 [0,0,0,1,0,0|2,0,0]=3 37 B6R1.2 F[C@H]1CNCC1 ACF021038 [0,0,0,1,0,0|2,0,0]=3 38 B6R1.2 NC1NCCC1 ACS015261 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.2 O1C[C@@H](CC1)N ACS011703 [0,0,0,1,0,0|0,1,0]=2 40 B6R1.2 O1C[C@@H](CC1)N ACS020283 [0,0,0,1,0,0|0,1,0]=2 41 B6R1.2 O1C[C@H](CC1)N ACS011673 [0,0,0,1,0,0|0,1,0]=2 42 B6R1.2 O[C@@H]1CNCC1 ACS024239 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.2 S1C(NCC1)=O ACS011643 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.2 S1CC(CC1)=O ACS010816 [0,0,0,1,0,0|1,0,1]=3 45 B6R1.3 C1(CC1)CC#N ACS016977 [0,0,0,1,0,0|1,0,2]=4 46 B6R1.3 C1(CC1)CCO ACS016870 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.3 ICCC1CC1 ACS016871 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.4 FC1C(CC1)N ACF023532 [0,0,0,1,0,0|2,0,0]=3 49 B6R1.4 FC1C(CC1)O ACF023529 [0,0,0,1,0,0|3,0,0]=4 50 B6R1.4 FC1C(NC1)C ACF022170 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.6 C1(CCC1)CBr ACS012071 [0,0,0,1,0,0|2,0,0]=3 52 B6R1.6 C1(CCC1)CO ACS023762 [0,0,0,1,0,0|2,0,0]=3 53 B6R1.6 FCC1CNC1 ACF021868 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.6 FCC1CNC1 ACF021869 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.6 FCC1NCC1 ACF022253 [0,0,0,1,0,0|2,0,0]=3 56 B6R1.6 FC[C@@H]1NCC1 ACF022255 [0,0,0,1,0,0|2,0,0]=3 57 B6R1.6 FC[C@H]1NCC1 ACF022254 [0,0,0,1,0,0|2,0,0]=3 58 B3R0.1 BrCCBr ACS015665 [2,0,0,0,0,0|2,0,0]=4 59 B3R0.1 BrCCO ACS012288 [2,0,0,0,0,0|1,1,0]=4 60 B3R0.1 C(CC)#N ACS015759 [2,0,0,0,0,0|0,0,2]=4 61 B3R0.1 C(CS)S ACS011518 [2,0,0,0,0,0|1,0,0]=3 62 B3R0.1 CNOC ACS012143 [2,0,0,0,0,0|1,1,0]=4 63 B3R0.1 COCCl ACS015654 [2,0,0,0,0,0|1,1,0]=4 64 B5R0.1 CC(CC=O)C ACS015719 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.1 COCC(=O)N ACS015711 [1,1,0,0,0,0|0,1,1]=4 66 B5R0.3 C([C@@H](CCl)O)O ACS010830 [1,1,0,0,0,0|1,1,0]=4 67 B5R0.3 C([C@@H](CO)O)N ACS010825 [1,1,0,0,0,0|0,1,0]=3 68 B5R0.3 C([C@H](CCl)O)O ACS010831 [1,1,0,0,0,0|1,1,0]=4 69 B5R0.3 NC(CO)CC ACS011654 [1,1,0,0,0,0|1,0,0]=3 70 B5R0.3 NCC(CN)O ACS012389 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.3 NC[C@@H](CCl)O ACS020120 [1,1,0,0,0,0|1,0,0]=3 72 B5R0.3 NC[C@@H](CO)F ACF022187 [1,1,0,0,0,0|0,1,0]=3 73 B5R0.3 NC[C@H](CO)F ACF022188 [1,1,0,0,0,0|0,1,0]=3 74 B7R0.2 C(C(CN)O)C(=O)O ACS015779 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.2 NC[C@@H](CC(=O)O)O ACS010827 [0,2,0,0,0,0|2,0,0]=4 76 B7R0.12 C(C)N(CCN)CC ACS012173 [0,2,0,0,0,0|2,0,0]=4 77 B7R0.8 C(CN)CS(=O)(=O)O ACS011891 [0,2,0,0,0,0|1,0,1]=4 78 B7R0.8 NCCCP(O)(O)=O ACS011314 [0,2,0,0,0,0|2,0,0]=4 79 B7R0.1 BrCCCCCC#N ACS015641 [0,2,0,0,0,0|1,0,1]=4 80 B7R0.1 BrCCCCCCBr ACS010553 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.1 C(CCCCC#C)O ACS011549 [0,2,0,0,0,0|2,0,0]=4 82 B5R1.1 N1CC=CC1 ACS024124 [1,0,0,1,0,0|0,0,2]=4 83 B5R1.1 N1CCCC1 ACS015392 [1,0,0,1,0,0|0,0,0]=2 84 B5R1.2 C1(CCC1)=O ACS011189 [1,0,0,1,0,0|1,0,1]=4 85 B5R1.2 FC1CNC1 ACF021018 [1,0,0,1,0,0|2,0,0]=4 86 B5R1.2 FC1CNC1 ACF021019 [1,0,0,1,0,0|2,0,0]=4 87 B5R1.3 BrCC1CC1 ACS016880 [1,0,0,1,0,0|1,0,0]=3 88 B5R1.3 C(#N)C1CC1 ACS015609 [1,0,0,1,0,0|0,0,2]=4 89 B5R1.3 C(Cl)C1CO1 ACS015346 [1,0,0,1,0,0|1,1,0]=4 90 B5R1.3 C1(CC1)CO ACS011265 [1,0,0,1,0,0|1,0,0]=3 91 B5R1.3 C1C(O1)CCl ACS010842 [1,0,0,1,0,0|1,1,0]=4 92 B5R1.3 C1[C@H](CC)O1 ACS011611 [1,0,0,1,0,0|0,1,0]=3 93 B5R1.4 FC1C(C1)N ACF021649 [1,0,0,1,0,0|1,0,0]=3 94 B5R1.4 F[C@@H]1[C@@H](C1)N ACF022634 [1,0,0,1,0,0|1,0,0]=3 95 B5R1.4 F[C@@H]1[C@H](C1)N ACF021650 [1,0,0,1,0,0|1,0,0]=3 96 B5R1.4 F[C@H]1[C@H](C1)N ACF021651 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.1 BrCC1CCCC1 ACS010449 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.1 C(C1CCCO1)O ACS011003 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.1 C1(CCCC1)C#N ACS016748 [0,1,0,1,0,0|1,0,1]=4 100 B7R1.1 C1(CCCC1)C=O ACS012176 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.1 C1(CCCC1)CO ACS010445 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.1 C1C[C@@H](NC1)CO ACS010976 [0,1,0,1,0,0|1,0,0]=3 103 B7R1.1 COC1NCCC1 ACS015365 [0,1,0,1,0,0|0,1,0]=3 104 B7R1.1 FCC1NCCC1 ACF021659 [0,1,0,1,0,0|1,0,0]=3 105 B7R1.1 FC[C@@H]1NCCC1 ACF021195 [0,1,0,1,0,0|1,0,0]=3 106 B7R1.1 FC[C@@H]1NCCC1 ACF021196 [0,1,0,1,0,0|1,0,0]=3 107 B7R1.1 FC[C@H]1NCCC1 ACF021193 [0,1,0,1,0,0|1,0,0]=3 108 B7R1.1 FC[C@H]1NCCC1 ACF021194 [0,1,0,1,0,0|1,0,0]=3 109 B7R1.2 CN1CC(CC1)O ACS024240 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.2 CN1C[C@@H](CC1)O ACS011600 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.2 FC1CC(CC1)=O ACF022433 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.2 FC1CC(CC1)O ACF022432 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.2 N[C@@H]1C[C@@H](CC1)O ACS017217 [0,1,0,1,0,0|1,0,0]=3 114 B7R1.3 BrC1CCNCC1 ACS011194 [0,1,0,1,0,0|1,0,0]=3 115 B7R1.3 C=C1CCNCC1 ACS023714 [0,1,0,1,0,0|1,0,1]=4 116 B7R1.3 CC1NCCCC1 ACS011067 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.3 CC1NCCNC1 ACS017193 [0,1,0,1,0,0|1,0,0]=3 118 B7R1.3 CN1CCNCC1 ACS011153 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.3 C[C@@H]1CNCCO1 ACS011821 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.3 C[C@@H]1NCCOC1 ACS011439 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.3 C[C@@H]1NCCOC1 ACS011835 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.3 C[C@H]1CNCCO1 ACS011820 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.3 C[C@H]1NCCOC1 ACS011438 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.3 C[C@H]1NCCOC1 ACS011837 [0,1,0,1,0,0|1,0,0]=3 125 B7R1.3 FC1CCNCC1 ACF021024 [0,1,0,1,0,0|1,0,0]=3 126 B7R1.3 FC1CNCCC1 ACF021031 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.3 F[C@@H]1CNCCC1 ACF021039 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.3 F[C@H]1CNCCC1 ACF021040 [0,1,0,1,0,0|1,0,0]=3 129 B7R1.3 N1C(CNCC1)=O ACS024008 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.3 N1CC(OCC1)=O ACS017222 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.3 N1CCC(CC1)=O ACS011072 [0,1,0,1,0,0|1,0,1]=4 132 B7R1.3 N[C@@H]1CNCCC1 ACS011446 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.3 N[C@H]1CNCCC1 ACS010429 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.3 O1CCC(CC1)N ACS011243 [0,1,0,1,0,0|0,1,0]=3 135 B7R1.3 OC1CCNCC1 ACS010966 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.3 O[C@H]1CNCCC1 ACS011433 [0,1,0,1,0,0|1,0,0]=3 137 B7R1.3 S1CCC(CC1)=O ACS024121 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.4 CN1C(CCC1)=O ACS015379 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022236 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022237 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.4 F[C@@H]1CNC[C@@H]1F ACF022971 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.4 F[C@@H]1CNC[C@H]1F ACF022968 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.4 F[C@@H]1CNC[C@H]1F ACF022969 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021523 [0,1,0,1,0,0|1,0,0]=3 145 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021524 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021525 [0,1,0,1,0,0|1,0,0]=3 147 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF021365 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF022233 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF022234 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.4 F[C@@H]1[C@@H](COC1)N ACF021290 [0,1,0,1,0,0|0,1,0]=3 151 B7R1.4 F[C@@H]1[C@H](COC1)N ACF021287 [0,1,0,1,0,0|0,1,0]=3 152 B7R1.4 F[C@H]1CNC[C@@H]1F ACF022970 [0,1,0,1,0,0|2,0,0]=4 153 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021528 [0,1,0,1,0,0|1,0,0]=3 154 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021529 [0,1,0,1,0,0|1,0,0]=3 155 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021530 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022974 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022975 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022976 [0,1,0,1,0,0|2,0,0]=4 159 B7R1.4 F[C@H]1[C@@H](COC1)N ACF021288 [0,1,0,1,0,0|0,1,0]=3 160 B7R1.4 F[C@H]1[C@@H](COC1)N ACF021289 [0,1,0,1,0,0|0,1,0]=3 161 B7R1.4 F[C@H]1[C@H](CCC1)N ACF021526 [0,1,0,1,0,0|1,0,0]=3 162 B7R1.4 F[C@H]1[C@H](CCC1)N ACF021527 [0,1,0,1,0,0|1,0,0]=3 163 B7R1.4 F[C@H]1[C@H](CNC1)O ACF022235 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.4 N1C[C@@H]([C@H](C1)O)O ACS024147 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.4 O[C@@H]1C(NCC1)=O ACS024173 [0,1,0,1,0,0|2,0,0]=4 166 B7R1.6 FCCC1CNC1 ACF023592 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.6 N1(CCC1)CCO ACS020758 [0,1,0,1,0,0|2,0,0]=4 168 B7R1.8 FC1C(CC1)CN ACF023536 [0,1,0,1,0,0|1,0,0]=3 169 B7R1.8 FC1C(CC1)CN ACF023537 [0,1,0,1,0,0|1,0,0]=3 170 B7R1.8 FC1C(CC1)CO ACF023531 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.10 FC1CC(C1)CN ACF022873 [0,1,0,1,0,0|1,0,0]=3 172 B7R1.10 NC[C@@H]1C[C@H](F)C1 ACF022874 [0,1,0,1,0,0|1,0,0]=3 173 B7R1.10 NC[C@H]1C[C@H](F)C1 ACF022875 [0,1,0,1,0,0|1,0,0]=3 174 B7R1.22 C1(CC1)C(CO)F ACF022312 [0,1,0,1,0,0|2,0,0]=4 175 B7R1.25 BrCC1(COC1)F ACF022835 [0,1,0,1,0,0|1,1,0]=4 176 B7R1.25 FC1(CCC1)CN ACF022213 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.25 FC1(CNC1)CF ACF023603 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.25 FC1(CNC1)CO ACF023039 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.25 FC1(CNC1)CO ACF023040 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.25 FC1(COC1)CI ACF022836 [0,1,0,1,0,0|1,1,0]=4 181 B7R1.25 FC1(COC1)CN ACF022834 [0,1,0,1,0,0|0,1,0]=3 182 B7R1.25 FC1(COC1)CO ACF022833 [0,1,0,1,0,0|1,1,0]=4 183 B7R1.25 FCC1(CNC1)C ACF023586 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.14 C1CNS(=O)(=O)C1 ACS023790 [0,1,0,1,0,0|1,0,1]=4 185 B7R1.14 FC1(CNCC1)F ACF021028 [0,1,0,1,0,0|2,0,0]=4 186 B7R1.14 FC1(CNCC1)F ACF021029 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.14 F[C@@]1(CNCC1)C ACF023442 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.14 F[C@@]1(CNCC1)C ACF023445 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.14 F[C@]1(CNCC1)C ACF023443 [0,1,0,1,0,0|2,0,0]=4 190 B7R1.14 F[C@]1(CNCC1)C ACF023444 [0,1,0,1,0,0|2,0,0]=4 191 B7R1.18 FC(C)C1CNC1 ACF023601 [0,1,0,1,0,0|2,0,0]=4 192 B7R1.24 C1CNCCOC1 ACS024038 [0,1,0,1,0,0|0,1,0]=3 193 B7R1.24 N1CCOCCC1 ACS023784 [0,1,0,1,0,0|0,1,0]=3