0 B6R0.6 BrCCCCCBr ACS015667 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C(COCCO)O ACS015677 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 ClCCOCCCl ACS015653 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 BrCCCCBr ACS015666 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.2 BrCCCOC ACS011423 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.2 C(C=CCO)O ACS015766 [1,0,0,0,0,0|1,0,0]=2 6 B5R0.2 CCCCCC ACS015704 [1,0,0,0,0,0|0,0,2]=3 7 B7R0.1 BrCCCCCCBr ACS010553 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.1 C(CCCCC#C)O ACS011549 [0,1,0,0,0,0|0,0,3]=4 9 B7R0.4 C(C)OC=CC(=O)O ACS011989 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.4 CC(C=CCCC)=O ACS011915 [0,1,0,0,0,0|1,0,1]=3 11 B7R0.7 C(#N)CC(=O)OCC ACS015695 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.7 C(C)OC(CNC)=O ACS011391 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.7 ClCCC(CCCl)=O ACS010355 [0,1,0,0,0,0|2,0,1]=4 14 B7R1.1 BrCC1CCCC1 ACS010449 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.1 C(C1=CC=CO1)N ACS015360 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.1 C(C1CCCO1)O ACS011003 [0,0,0,1,0,0|1,0,1]=3 17 B7R1.1 C1(CCCC1)CO ACS010445 [0,0,0,1,0,0|0,0,2]=3 18 B7R1.1 C1C[C@@H](NC1)CO ACS010976 [0,0,0,1,0,0|1,0,1]=3 19 B7R1.1 FCC1NCCC1 ACF021659 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.1 FC[C@@H]1NCCC1 ACF021195 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.1 FC[C@@H]1NCCC1 ACF021196 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.1 FC[C@H]1NCCC1 ACF021193 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.1 FC[C@H]1NCCC1 ACF021194 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.1 O1C(=CC=C1)CO ACS015357 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.3 BrC1CCNCC1 ACS011194 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.3 C1(C=CCCC1)=O ACS015663 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.3 CC1NCCCC1 ACS011067 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.3 CC1NCCNC1 ACS017193 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.3 C[C@@H]1CNCCO1 ACS011821 [0,0,0,1,0,0|1,0,1]=3 30 B7R1.3 C[C@@H]1NCCOC1 ACS011439 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.3 C[C@@H]1NCCOC1 ACS011835 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.3 C[C@H]1CNCCO1 ACS011820 [0,0,0,1,0,0|1,0,1]=3 33 B7R1.3 C[C@H]1NCCOC1 ACS011438 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.3 C[C@H]1NCCOC1 ACS011837 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.3 FC1CCNCC1 ACF021024 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.3 FC1CNCCC1 ACF021031 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.3 F[C@@H]1CNCCC1 ACF021039 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.3 F[C@H]1CNCCC1 ACF021040 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.3 N[C@@H]1CNCCC1 ACS011446 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.3 N[C@H]1CNCCC1 ACS010429 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.3 O1CCC(CC1)N ACS011243 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.3 OC1CCNCC1 ACS010966 [0,0,0,1,0,0|1,0,1]=3 43 B7R1.3 O[C@H]1CNCCC1 ACS011433 [0,0,0,1,0,0|1,0,1]=3 44 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022236 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022237 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF021365 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF022233 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF022234 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022974 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022975 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022976 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.4 F[C@H]1[C@H](CNC1)O ACF022235 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.4 N1C[C@@H]([C@H](C1)O)O ACS024147 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.6 N1(CCC1)CCO ACS020758 [0,0,0,1,0,0|1,0,1]=3 55 B7R1.8 FC1C(CC1)CO ACF023531 [0,0,0,1,0,0|1,0,2]=4 56 B7R1.24 C1CNCCOC1 ACS024038 [0,0,0,1,0,0|1,0,1]=3 57 B7R1.24 N1CCOCCC1 ACS023784 [0,0,0,1,0,0|1,0,1]=3 58 B4R0.2 BrCCCCl ACS015639 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.2 C(/C=C/C)=O ACS015659 [2,0,0,0,0,0|0,0,2]=4 60 B4R0.2 C(=C)OCC ACS015700 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.2 C(=O)OCC ACS015696 [2,0,0,0,0,0|1,0,1]=4 62 B4R0.2 C(CCC)=O ACS015647 [2,0,0,0,0,0|0,0,2]=4 63 B4R0.2 C(CCC)O ACS015648 [2,0,0,0,0,0|0,0,0]=2 64 B4R0.2 CCOCC ACF015760 [2,0,0,0,0,0|1,0,0]=3 65 B4R0.2 FCCCO ACF017205 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.1 BrCC(=O)OCC ACS015691 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.1 C(/C=C/C)(=O)OC ACS015752 [1,1,0,0,0,0|1,0,1]=4 68 B6R0.1 C(C)OC(CN)=O ACS015702 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.1 ClCC(=O)OCC ACS015694 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.4 C(C)(C)NCCN ACS011159 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.4 COCCOCCOC ACS015714 [0,2,0,0,0,0|1,0,1]=4 72 B8R0.6 C(C(CCCCO)O)O ACS015703 [0,2,0,0,0,0|0,0,2]=4 73 B8R0.3 C(C)OC([C@@H](N)CS)=O ACS011389 [0,2,0,0,0,0|1,1,0]=4 74 B8R0.5 O[C@@H](CC(=O)OCC)C ACS011594 [0,2,0,0,0,0|1,0,0]=3 75 B6R1.1 C1CCCCC1 ACS015629 [1,0,0,1,0,0|0,0,2]=4 76 B6R1.1 N1CCCCC1 ACS015386 [1,0,0,1,0,0|1,0,1]=4 77 B6R1.1 N1CCNCC1 ACS015385 [1,0,0,1,0,0|2,0,0]=4 78 B6R1.1 N1CCOCC1 ACS011668 [1,0,0,1,0,0|1,0,0]=3 79 B6R1.1 N1CCSCC1 ACS011722 [1,0,0,1,0,0|1,1,0]=4 80 B6R1.1 O1CCCC=C1 ACS011241 [1,0,0,1,0,0|1,0,0]=3 81 B6R1.2 BrC1CCCC1 ACS015617 [1,0,0,1,0,0|1,0,1]=4 82 B6R1.2 BrC1COCC1 ACS019129 [1,0,0,1,0,0|2,0,0]=4 83 B6R1.2 C1COC[C@@H]1O ACS010999 [1,0,0,1,0,0|1,0,0]=3 84 B6R1.2 CC1CCCO1 ACS011384 [1,0,0,1,0,0|0,0,1]=3 85 B6R1.2 CC=1OC=CC1 ACS015370 [1,0,0,1,0,0|0,0,2]=4 86 B6R1.2 F[C@@H]1CNCC1 ACF021035 [1,0,0,1,0,0|2,0,0]=4 87 B6R1.2 F[C@@H]1CNCC1 ACF021036 [1,0,0,1,0,0|2,0,0]=4 88 B6R1.2 F[C@H]1CNCC1 ACF021037 [1,0,0,1,0,0|2,0,0]=4 89 B6R1.2 F[C@H]1CNCC1 ACF021038 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.2 O1C[C@@H](CC1)N ACS011703 [1,0,0,1,0,0|2,0,0]=4 91 B6R1.2 O1C[C@@H](CC1)N ACS020283 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.2 O1C[C@H](CC1)N ACS011673 [1,0,0,1,0,0|2,0,0]=4 93 B6R1.2 O[C@@H]1CNCC1 ACS024239 [1,0,0,1,0,0|1,0,0]=3 94 B6R1.3 C1(CC1)CCO ACS016870 [1,0,0,1,0,0|0,0,1]=3 95 B6R1.3 ICCC1CC1 ACS016871 [1,0,0,1,0,0|1,0,1]=4 96 B6R1.4 FC1C(CC1)O ACF023529 [1,0,0,1,0,0|1,0,1]=4 97 B6R1.4 FC1C(NC1)C ACF022170 [1,0,0,1,0,0|2,0,0]=4 98 B6R1.6 C1(CCC1)CBr ACS012071 [1,0,0,1,0,0|1,0,1]=4 99 B6R1.6 C1(CCC1)CO ACS023762 [1,0,0,1,0,0|0,0,1]=3 100 B6R1.6 FCC1NCC1 ACF022253 [1,0,0,1,0,0|2,0,0]=4 101 B6R1.6 FC[C@@H]1NCC1 ACF022255 [1,0,0,1,0,0|2,0,0]=4 102 B6R1.6 FC[C@H]1NCC1 ACF022254 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.2 C(C)[C@H]1NCCOC1 ACS011819 [0,1,0,1,0,0|1,0,1]=4 104 B8R1.2 C1(CCCCC1)CO ACS010446 [0,1,0,1,0,0|0,0,2]=4 105 B8R1.2 N1CCC(CC1)CO ACS015387 [0,1,0,1,0,0|0,0,2]=4 106 B8R1.2 O1C(CCC=C1)CO ACS011258 [0,1,0,1,0,0|0,0,0]=2 107 B8R1.5 FC1COCCC1O ACF021596 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.5 F[C@@H]1CNCC[C@@H]1O ACF021203 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.5 F[C@@H]1CNCC[C@@H]1O ACF021204 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.5 F[C@@H]1CNCC[C@@H]1O ACF021344 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.5 F[C@@H]1CNCC[C@H]1O ACF021201 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.5 F[C@@H]1CNCC[C@H]1O ACF023411 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.5 F[C@@H]1COCC[C@H]1O ACF021584 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.5 F[C@@H]1[C@@H](CNCC1)O ACF021656 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.5 F[C@H]1CNCC[C@@H]1O ACF021202 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.5 F[C@H]1CNCC[C@H]1O ACF021345 [0,1,0,1,0,0|1,0,1]=4 117 B8R1.5 F[C@H]1[C@@H](CNCC1)O ACF021199 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.5 F[C@H]1[C@@H](CNCC1)O ACF021200 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.5 F[C@H]1[C@H](CNCC1)O ACF021655 [0,1,0,1,0,0|1,0,1]=4 120 B8R1.5 N[C@@H]1[C@@H](CCCC1)O ACS011637 [0,1,0,1,0,0|0,0,2]=4 121 B8R1.5 N[C@@H]1[C@H](CCCC1)O ACS011845 [0,1,0,1,0,0|0,0,2]=4 122 B8R1.5 O[C@@H]1CSSC[C@H]1O ACS023704 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.11 CN1C(=NC=C1)CO ACS011193 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.1 C1=CC(=O)O[C@@H]1CO ACS010998 [0,1,0,1,0,0|1,0,1]=4 125 B8R1.3 FC1CCC(CC1)=O ACF021520 [0,1,0,1,0,0|1,0,1]=4 126 B8R1.3 FC1CCC(CC1)O ACF022280 [0,1,0,1,0,0|0,0,2]=4 127 B8R1.3 N[C@H]1CC[C@H](CC1)O ACS012088 [0,1,0,1,0,0|0,0,2]=4 128 B8R1.3 OC1CCC(CC1)=O ACS023854 [0,1,0,1,0,0|0,0,1]=3 129 B8R1.52 FC1(CCCC1)CO ACF020873 [0,1,0,1,0,0|0,0,2]=4 130 B8R1.52 FC1(CNCC1)CO ACF021408 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.4 CC1NCCC(C1)=O ACF023329 [0,1,0,1,0,0|1,0,1]=4 132 B8R1.4 C[C@@H]1NCCC(C1)=O ACF021329 [0,1,0,1,0,0|1,0,1]=4 133 B8R1.4 FC1CC(CCC1)=O ACF021887 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.4 NC1CC(CCC1)O ACS011505 [0,1,0,1,0,0|0,0,2]=4 135 B8R1.4 NC1CC(NCC1)=O ACF020997 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.72 CC1(CCNCC1)O ACS020346 [0,1,0,1,0,0|1,0,1]=4 137 B8R2.34 C12C=CC(CC1)C2 ACS015598 [0,0,0,2,0,0|1,0,0]=3 138 B8R2.25 C12C(CCCC1)O2 ACS015469 [0,0,0,2,0,0|0,0,2]=4