0 B5R0.3 C([C@@H](CCl)O)O ACS010830 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.3 C([C@@H](CO)O)N ACS010825 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.3 C([C@H](CCl)O)O ACS010831 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.3 NC(CO)CC ACS011654 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 NCC(CN)O ACS012389 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 NC[C@@H](CCl)O ACS020120 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.3 NC[C@@H](CO)F ACF022187 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.3 NC[C@H](CO)F ACF022188 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.3 O=C[C@@H](O)CO ACS010919 [0,0,0,0,0,0|0,0,2]=2 9 B5R0.3 O=C[C@@H](O)CO ACS010920 [0,0,0,0,0,0|0,0,2]=2 10 B4R0.1 BrC(CBr)F ACF024067 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 BrCC(C)=O ACS012097 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 C(C(C)C)#N ACS015707 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 C(C)(C)NN ACS014063 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 C[C@H](CO)Cl ACS011129 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 C[C@H](CO)O ACS010855 [1,0,0,0,0,0|0,0,0]=1 16 B4R0.1 ClCC(=O)O ACS015650 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 ClCC(F)F ACF024215 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 ClC[C@@H](C)O ACS011608 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 ClC[C@H](C)O ACS011609 [1,0,0,0,0,0|1,0,0]=2 20 B4R0.1 FC(CO)F ACF024132 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 N[C@@H](C)CO ACS010824 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.2 BrCCCCl ACS015639 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.2 C(CCC)=O ACS015647 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.2 C(CCC)O ACS015648 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.2 CCOCC ACF015760 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.2 FCCCO ACF017205 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.1 F[C@H](CN)COC ACF022189 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.3 CC(C)[C@H](CO)N ACS010843 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.3 NC(CO)C(=O)O ACS011404 [0,1,0,0,0,0|1,0,1]=3 30 B6R0.3 N[C@@H](CC)B(O)O ACS019410 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.3 N[C@H](CO)C(=O)O ACS011375 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.3 N[C@H](CS)C(=O)O ACS012192 [0,1,0,0,0,0|1,1,1]=4 33 B6R0.8 BrC(CC)(CC)C ACS024476 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.8 OCC(C=O)(C)C ACS012227 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.9 CCC(CC)NC ACS024014 [0,1,0,0,0,0|3,0,0]=4 36 B6R1.2 BrC1CCCC1 ACS015617 [0,0,0,1,0,0|3,0,0]=4 37 B6R1.2 BrC1COCC1 ACS019129 [0,0,0,1,0,0|2,0,0]=3 38 B6R1.2 C1COC[C@@H]1O ACS010999 [0,0,0,1,0,0|1,0,0]=2 39 B6R1.2 F[C@@H]1CNCC1 ACF021035 [0,0,0,1,0,0|3,0,0]=4 40 B6R1.2 F[C@@H]1CNCC1 ACF021036 [0,0,0,1,0,0|3,0,0]=4 41 B6R1.2 F[C@H]1CNCC1 ACF021037 [0,0,0,1,0,0|3,0,0]=4 42 B6R1.2 F[C@H]1CNCC1 ACF021038 [0,0,0,1,0,0|3,0,0]=4 43 B6R1.2 O1C[C@@H](CC1)N ACS011703 [0,0,0,1,0,0|2,0,0]=3 44 B6R1.2 O1C[C@@H](CC1)N ACS020283 [0,0,0,1,0,0|2,0,0]=3 45 B6R1.2 O1C[C@H](CC1)N ACS011673 [0,0,0,1,0,0|2,0,0]=3 46 B6R1.2 O[C@@H]1CNCC1 ACS024239 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.4 FC1C(CC1)N ACF023532 [0,0,0,1,0,0|3,0,0]=4 48 B6R1.4 FC1C(CC1)O ACF023529 [0,0,0,1,0,0|2,0,0]=3 49 B6R1.4 FC1C(NC1)C ACF022170 [0,0,0,1,0,0|3,0,0]=4 50 B6R1.6 C1(CCC1)CBr ACS012071 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.6 C1(CCC1)CO ACS023762 [0,0,0,1,0,0|2,0,0]=3 52 B6R1.6 FCC1CNC1 ACF021868 [0,0,0,1,0,0|3,0,0]=4 53 B6R1.6 FCC1CNC1 ACF021869 [0,0,0,1,0,0|3,0,0]=4 54 B6R1.6 FCC1NCC1 ACF022253 [0,0,0,1,0,0|3,0,0]=4 55 B6R1.6 FC[C@@H]1NCC1 ACF022255 [0,0,0,1,0,0|3,0,0]=4 56 B6R1.6 FC[C@H]1NCC1 ACF022254 [0,0,0,1,0,0|3,0,0]=4 57 B3R0.1 BrCCBr ACS015665 [2,0,0,0,0,0|2,0,0]=4 58 B3R0.1 BrCCO ACS012288 [2,0,0,0,0,0|1,0,0]=3 59 B3R0.1 C(CC)#N ACS015759 [2,0,0,0,0,0|1,0,1]=4 60 B3R0.1 C(CS)S ACS011518 [2,0,0,0,0,0|0,2,0]=4 61 B3R0.1 COCCl ACS015654 [2,0,0,0,0,0|2,0,0]=4 62 B3R0.2 BrC(C)C ACS015643 [2,0,0,0,0,0|1,0,0]=3 63 B3R0.2 C(C)(=O)O ACS011399 [2,0,0,0,0,0|0,0,2]=4 64 B3R0.2 C(C)(=S)O ACS017184 [2,0,0,0,0,0|0,1,1]=4 65 B3R0.2 CP(C)=O ACS012210 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.1 CC(CC=O)C ACS015719 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.1 OCCC(=O)O ACS011495 [1,1,0,0,0,0|0,0,2]=4 68 B5R0.4 CC(CN)(C)N ACS020018 [1,1,0,0,0,0|2,0,0]=4 69 B5R0.4 FC(CO)(F)F ACF024241 [1,1,0,0,0,0|2,0,0]=4 70 B5R0.4 NCC(C)(S)C ACS017169 [1,1,0,0,0,0|1,1,0]=4 71 B5R0.5 B(B(O)O)(O)O ACS011980 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.5 CC(C(=O)O)Cl ACS010833 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.5 C[C@@H](C(=O)O)Br ACS011128 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.5 FC(C(=O)O)C ACF017008 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.5 NC(C)B(O)O ACS019375 [1,1,0,0,0,0|2,0,0]=4 76 B5R0.5 N[C@@H](C)B(O)O ACS019409 [1,1,0,0,0,0|2,0,0]=4 77 B5R0.5 N[C@H](C)B(O)O ACS019415 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.5 N[C@H](C)C(=O)O ACS011403 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.2 BrCCCC#N ACS017125 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.2 BrCCCCBr ACS015666 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.2 BrCCCOC ACS011423 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.2 C(C=CCO)O ACS015766 [1,1,0,0,0,0|0,0,1]=3 83 B5R0.2 CCCCCC ACS015704 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.2 COCCOC ACS015683 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.2 C(C(CN)O)C(=O)O ACS015779 [0,2,0,0,0,0|1,0,0]=3 86 B7R0.2 NC[C@@H](CC(=O)O)O ACS010827 [0,2,0,0,0,0|1,0,0]=3 87 B7R0.10 COC(C(N)CO)=O ACS011388 [0,2,0,0,0,0|1,0,1]=4 88 B7R0.13 CC(C(=O)O)(CO)C ACS012226 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.13 FC(CO)(C(F)F)F ACF024166 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.14 BrC(CO)C(F)(F)F ACF024222 [0,2,0,0,0,0|2,0,0]=4 91 B5R1.2 FC1CNC1 ACF021018 [1,0,0,1,0,0|2,0,0]=4 92 B5R1.2 FC1CNC1 ACF021019 [1,0,0,1,0,0|2,0,0]=4 93 B5R1.3 BrCC1CC1 ACS016880 [1,0,0,1,0,0|2,0,0]=4 94 B5R1.3 C(Cl)C1CO1 ACS015346 [1,0,0,1,0,0|1,0,0]=3 95 B5R1.3 C1(CC1)CO ACS011265 [1,0,0,1,0,0|1,0,0]=3 96 B5R1.3 C1C(O1)CCl ACS010842 [1,0,0,1,0,0|1,0,0]=3 97 B5R1.3 C1[C@H](CC)O1 ACS011611 [1,0,0,1,0,0|1,0,0]=3 98 B5R1.4 FC1C(C1)N ACF021649 [1,0,0,1,0,0|2,0,0]=4 99 B5R1.4 F[C@@H]1[C@@H](C1)N ACF022634 [1,0,0,1,0,0|2,0,0]=4 100 B5R1.4 F[C@@H]1[C@H](C1)N ACF021650 [1,0,0,1,0,0|2,0,0]=4 101 B5R1.4 F[C@H]1[C@H](C1)N ACF021651 [1,0,0,1,0,0|2,0,0]=4 102 B5R1.5 CC1(CC1)O ACS023902 [1,0,0,1,0,0|1,0,0]=3 103 B5R1.5 CC1(OC1)C ACS015341 [1,0,0,1,0,0|1,0,0]=3 104 B5R1.1 N1CCCC1 ACS015392 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.1 C(C1CCCO1)O ACS011003 [0,1,0,1,0,0|1,0,0]=3 106 B7R1.1 C1(CCCC1)CO ACS010445 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.1 C1C[C@@H](NC1)CO ACS010976 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.2 CN1CC(CC1)O ACS024240 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.2 CN1C[C@@H](CC1)O ACS011600 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.2 FC1CC(CC1)O ACF022432 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.2 N[C@@H]1C[C@@H](CC1)O ACS017217 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.3 C[C@@H]1NCCOC1 ACS011439 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.3 C[C@@H]1NCCOC1 ACS011835 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.3 C[C@H]1NCCOC1 ACS011438 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.3 C[C@H]1NCCOC1 ACS011837 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.3 O1CCC(CC1)N ACS011243 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.3 OC1CCNCC1 ACS010966 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.3 O[C@H]1CNCCC1 ACS011433 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF021365 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF022233 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF022234 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.4 F[C@@H]1[C@@H](COC1)N ACF021290 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.4 F[C@@H]1[C@H](COC1)N ACF021287 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022974 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022975 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022976 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.4 F[C@H]1[C@@H](COC1)N ACF021288 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.4 F[C@H]1[C@@H](COC1)N ACF021289 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.4 F[C@H]1[C@H](CNC1)O ACF022235 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.4 N1C[C@@H]([C@H](C1)O)O ACS024147 [0,1,0,1,0,0|1,0,0]=3 131 B7R1.8 FC1C(CC1)CO ACF023531 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.22 C1(CC1)C(CO)F ACF022312 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.25 BrCC1(COC1)F ACF022835 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.25 FC1(CNC1)CO ACF023039 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.25 FC1(CNC1)CO ACF023040 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.25 FC1(COC1)CI ACF022836 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.25 FC1(COC1)CN ACF022834 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.25 FC1(COC1)CO ACF022833 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.17 FC1(C(CC1)O)F ACF023530 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.29 OCC1(CC1)CO ACS011692 [0,1,0,1,0,0|1,0,0]=3