0 B6R0.1 F[C@H](CN)COC ACF022189 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 ClCCC(=O)O ACS015651 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.1 OCCC(=O)O ACS011495 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.2 BrCCCC#N ACS017125 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.2 BrCCCCBr ACS015666 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.2 BrCCCOC ACS011423 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.2 CCCCCC ACS015704 [1,0,0,0,0,0|0,0,2]=3 7 B5R0.2 CNCCC#N ACS015717 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.2 COCCOC ACS015683 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.3 C([C@@H](CCl)O)O ACS010830 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.3 C([C@@H](CO)O)N ACS010825 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.3 C([C@H](CCl)O)O ACS010831 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.3 NC(CO)CC ACS011654 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.3 NCC(CN)O ACS012389 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.3 NC[C@@H](CCl)O ACS020120 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.3 O=C[C@@H](O)CO ACS010919 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.3 O=C[C@@H](O)CO ACS010920 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 BrCC1CCCC1 ACS010449 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.1 C(C1CCCO1)O ACS011003 [0,0,0,1,0,0|1,0,1]=3 19 B7R1.1 C1(CCCC1)C#N ACS016748 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.1 C1(CCCC1)C=O ACS012176 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.1 C1(CCCC1)CO ACS010445 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.1 C1C[C@@H](NC1)CO ACS010976 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.1 COC1NCCC1 ACS015365 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.1 FCC1NCCC1 ACF021659 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.1 FC[C@@H]1NCCC1 ACF021195 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.1 FC[C@@H]1NCCC1 ACF021196 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.1 FC[C@H]1NCCC1 ACF021193 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.1 FC[C@H]1NCCC1 ACF021194 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.2 CN1CC(CC1)O ACS024240 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.2 CN1C[C@@H](CC1)O ACS011600 [0,0,0,1,0,0|1,0,2]=4 31 B7R1.2 FC1CC(CC1)O ACF022432 [0,0,0,1,0,0|1,0,2]=4 32 B7R1.2 N[C@@H]1C[C@@H](CC1)O ACS017217 [0,0,0,1,0,0|1,0,2]=4 33 B7R1.3 C1(C=CCCC1)=O ACS015663 [0,0,0,1,0,0|0,0,2]=3 34 B7R1.3 CC1NCCCC1 ACS011067 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.3 FC1CNCCC1 ACF021031 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.3 F[C@@H]1CNCCC1 ACF021039 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.3 F[C@H]1CNCCC1 ACF021040 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.3 N[C@@H]1CNCCC1 ACS011446 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.3 N[C@H]1CNCCC1 ACS010429 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.3 OC1CCNCC1 ACS010966 [0,0,0,1,0,0|1,0,2]=4 41 B7R1.3 O[C@H]1CNCCC1 ACS011433 [0,0,0,1,0,0|1,0,1]=3 42 B7R1.4 CN1C(CCC1)=O ACS015379 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021523 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021524 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021525 [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](CCC1)N ACF021528 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021529 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021530 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022974 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022975 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022976 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.4 F[C@H]1[C@H](CCC1)N ACF021526 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.4 F[C@H]1[C@H](CCC1)N ACF021527 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.4 F[C@H]1[C@H](CNC1)O ACF022235 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.4 N1C[C@@H]([C@H](C1)O)O ACS024147 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.4 O[C@@H]1C(NCC1)=O ACS024173 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.22 C1(CC1)C(CO)F ACF022312 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.25 FC1(CCC1)CN ACF022213 [0,0,0,1,0,0|2,0,1]=4 62 B4R0.1 C[C@H](CO)O ACS010855 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.1 ClC[C@@H](C)O ACS011608 [2,0,0,0,0,0|1,0,1]=4 64 B4R0.1 ClC[C@H](C)O ACS011609 [2,0,0,0,0,0|1,0,1]=4 65 B4R0.2 BrCCCCl ACS015639 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.2 C(=C)OCC ACS015700 [2,0,0,0,0,0|1,0,0]=3 67 B4R0.2 C(=O)OCC ACS015696 [2,0,0,0,0,0|2,0,0]=4 68 B4R0.2 C(CCC)=O ACS015647 [2,0,0,0,0,0|1,0,0]=3 69 B4R0.2 C(CCC)O ACS015648 [2,0,0,0,0,0|0,0,0]=2 70 B4R0.2 CCOCC ACF015760 [2,0,0,0,0,0|1,0,1]=4 71 B4R0.2 FCCCO ACF017205 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.3 N[C@@H](CC)B(O)O ACS019410 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.6 BrCCCCCBr ACS015667 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.6 C(=C)OCCCN ACS015636 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.8 BrC(C=O)(CC)Br ACS015664 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.2 NC(C(C)CC)C(=O)O ACS011489 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.2 O=C([C@H](O)[C@@H](O)CO)O ACS011897 [0,2,0,0,0,0|2,0,0]=4 78 B8R0.6 C(C(CCCCO)O)O ACS015703 [0,2,0,0,0,0|1,0,1]=4 79 B8R0.22 C(C)OC(C=C)OCC ACS015771 [0,2,0,0,0,0|1,0,0]=3 80 B6R1.2 BrC1CCCC1 ACS015617 [1,0,0,1,0,0|1,0,1]=4 81 B6R1.2 C1COC[C@@H]1O ACS010999 [1,0,0,1,0,0|1,0,1]=4 82 B6R1.2 CC1CCCO1 ACS011384 [1,0,0,1,0,0|0,0,1]=3 83 B6R1.2 NC1NCCC1 ACS015261 [1,0,0,1,0,0|2,0,0]=4 84 B6R1.2 O[C@@H]1CNCC1 ACS024239 [1,0,0,1,0,0|1,0,1]=4 85 B6R1.5 CN1CC(C1)O ACS023900 [1,0,0,1,0,0|1,0,1]=4 86 B6R1.5 FC1CC(C1)O ACF021435 [1,0,0,1,0,0|1,0,1]=4 87 B6R1.5 F[C@@H]1C[C@H](C1)O ACF023004 [1,0,0,1,0,0|1,0,1]=4 88 B6R1.5 F[C@H]1C[C@H](C1)O ACF023003 [1,0,0,1,0,0|1,0,1]=4 89 B6R1.11 C1(CC1)B(O)O ACS010571 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.1 C1CCCCC1 ACS015629 [1,0,0,1,0,0|0,0,2]=4 91 B6R1.1 N1CCCCC1 ACS015386 [1,0,0,1,0,0|1,0,1]=4 92 B6R1.1 O1CCCC=C1 ACS011241 [1,0,0,1,0,0|1,0,0]=3 93 B6R1.6 C1(CCC1)CBr ACS012071 [1,0,0,1,0,0|1,0,1]=4 94 B6R1.6 C1(CCC1)CO ACS023762 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.4 FC1CC(CCC1)=O ACF021887 [0,1,0,1,0,0|1,0,1]=4 96 B8R1.4 NC1CC(CCC1)O ACS011505 [0,1,0,1,0,0|0,0,2]=4 97 B8R1.2 C1(CCCCC1)C=O ACS010444 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.2 C1(CCCCC1)CO ACS010446 [0,1,0,1,0,0|0,0,2]=4 99 B8R1.2 N1CC(OCC1)C#N ACS019170 [0,1,0,1,0,0|1,0,1]=4 100 B8R1.2 O1C(CCC=C1)CO ACS011258 [0,1,0,1,0,0|1,0,1]=4 101 B8R1.2 O1CC(CCC1)C=O ACS018957 [0,1,0,1,0,0|1,0,0]=3 102 B8R1.3 FC1CCC(CC1)O ACF022280 [0,1,0,1,0,0|0,0,2]=4 103 B8R1.3 N[C@H]1CC[C@H](CC1)O ACS012088 [0,1,0,1,0,0|0,0,2]=4 104 B8R1.5 FC1CNCCC1=O ACF023013 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.5 FC1CNCCC1=O ACF023014 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.5 FC1COCCC1=O ACF022896 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.5 FC1COCCC1O ACF021596 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.5 F[C@@H]1CNCCC1=O ACF021609 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.5 F[C@@H]1CNCC[C@@H]1O ACF021203 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.5 F[C@@H]1CNCC[C@@H]1O ACF021204 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.5 F[C@@H]1CNCC[C@@H]1O ACF021344 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.5 F[C@@H]1CNCC[C@H]1O ACF021201 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.5 F[C@@H]1CNCC[C@H]1O ACF023411 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.5 F[C@@H]1COCCC1=O ACF021595 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.5 F[C@@H]1COCC[C@H]1O ACF021584 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.5 F[C@@H]1[C@@H](CNCC1)O ACF021656 [0,1,0,1,0,0|1,0,1]=4 117 B8R1.5 F[C@H]1CNCCC1=O ACF023403 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.5 F[C@H]1CNCC[C@@H]1O ACF021202 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.5 F[C@H]1CNCC[C@H]1O ACF021345 [0,1,0,1,0,0|1,0,1]=4 120 B8R1.5 F[C@H]1COCCC1=O ACF021594 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.5 F[C@H]1[C@@H](CNCC1)O ACF021199 [0,1,0,1,0,0|1,0,1]=4 122 B8R1.5 F[C@H]1[C@@H](CNCC1)O ACF021200 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.5 F[C@H]1[C@H](CNCC1)O ACF021655 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.5 N[C@@H]1[C@@H](CCCC1)O ACS011637 [0,1,0,1,0,0|0,0,2]=4 125 B8R1.5 N[C@@H]1[C@H](CCCC1)O ACS011845 [0,1,0,1,0,0|0,0,2]=4 126 B8R1.52 FCC1(CNCC1)O ACF021274 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.7 N1C(CCC1)C(=O)O ACS015390 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.7 O1C(CCC1)C(=O)O ACS011004 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.78 NC1(CCC1)C(=O)F ACF023482 [0,1,0,1,0,0|2,0,0]=4 130 B8R2.34 C12C=CC(CC1)C2 ACS015598 [0,0,0,2,0,0|1,0,0]=3 131 B8R2.25 C12C(CCCC1)O2 ACS015469 [0,0,0,2,0,0|0,0,2]=4