0 B7R0.10 COC(C(N)CO)=O ACS011388 [0,0,0,0,0,0|2,1,1]=4 1 B6R0.1 F[C@H](CN)COC ACF022189 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.3 C(C(C)C)(=O)OC ACS015723 [1,0,0,0,0,0|1,1,1]=4 3 B6R0.3 CC(C)[C@H](CO)N ACS010843 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.3 C[C@H](C(=O)OC)O ACS010882 [1,0,0,0,0,0|1,1,1]=4 5 B6R0.3 N[C@@H](CC)B(O)O ACS019410 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.2 NC(C(C)CC)C(=O)O ACS011489 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.13 COC(C(CO)(C)C)=O ACS015706 [0,1,0,0,0,0|1,1,1]=4 8 B8R1.5 FC1C(COCC1)N ACF021702 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.5 FC1COCCC1=O ACF022896 [0,0,0,1,0,0|1,1,1]=4 10 B8R1.5 FC1COCCC1O ACF021596 [0,0,0,1,0,0|1,1,0]=3 11 B8R1.5 F[C@@H]1CNCC[C@@H]1F ACF023098 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.5 F[C@@H]1CNCC[C@@H]1O ACF021203 [0,0,0,1,0,0|2,1,0]=4 13 B8R1.5 F[C@@H]1CNCC[C@@H]1O ACF021204 [0,0,0,1,0,0|2,1,0]=4 14 B8R1.5 F[C@@H]1CNCC[C@@H]1O ACF021344 [0,0,0,1,0,0|2,1,0]=4 15 B8R1.5 F[C@@H]1CNCC[C@H]1F ACF023097 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.5 F[C@@H]1CNCC[C@H]1O ACF021201 [0,0,0,1,0,0|2,1,0]=4 17 B8R1.5 F[C@@H]1CNCC[C@H]1O ACF023411 [0,0,0,1,0,0|2,1,0]=4 18 B8R1.5 F[C@@H]1COCCC1=O ACF021595 [0,0,0,1,0,0|1,1,1]=4 19 B8R1.5 F[C@@H]1COCC[C@@H]1N ACF021588 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.5 F[C@@H]1COCC[C@@H]1N ACF021589 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.5 F[C@@H]1COCC[C@@H]1N ACF021590 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.5 F[C@@H]1COCC[C@@H]1N ACF021591 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.5 F[C@@H]1COCC[C@H]1N ACF021585 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.5 F[C@@H]1COCC[C@H]1N ACF021586 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.5 F[C@@H]1COCC[C@H]1N ACF023606 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.5 F[C@@H]1COCC[C@H]1O ACF021584 [0,0,0,1,0,0|1,1,0]=3 27 B8R1.5 F[C@@H]1[C@@H](CNCC1)O ACF021656 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.5 F[C@H]1CNCC[C@@H]1O ACF021202 [0,0,0,1,0,0|2,1,0]=4 29 B8R1.5 F[C@H]1CNCC[C@H]1O ACF021345 [0,0,0,1,0,0|2,1,0]=4 30 B8R1.5 F[C@H]1COCCC1=O ACF021594 [0,0,0,1,0,0|1,1,1]=4 31 B8R1.5 F[C@H]1COCC[C@@H]1N ACF021587 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.5 F[C@H]1COCC[C@H]1N ACF021592 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.5 F[C@H]1COCC[C@H]1N ACF021593 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.5 F[C@H]1[C@@H](CNCC1)O ACF021199 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.5 F[C@H]1[C@@H](CNCC1)O ACF021200 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.5 F[C@H]1[C@H](CNCC1)O ACF021655 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.5 N[C@@H]1[C@@H](CCCC1)O ACS011637 [0,0,0,1,0,0|2,1,0]=4 38 B8R1.5 N[C@@H]1[C@H](CCCC1)O ACS011845 [0,0,0,1,0,0|2,1,0]=4 39 B8R1.11 C(C)[C@@H]1CNC[C@@H]1F ACF023448 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.11 N[C@@H]1[C@@H](CCC1)C#N ACF021450 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.38 FC(CC)C1CNC1 ACF023602 [0,0,0,1,0,0|2,0,0]=3 42 B5R0.1 CC(CC=O)C ACS015719 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.2 BrCCCCBr ACS015666 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.2 BrCCCOC ACS011423 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.2 CCCCCC ACS015704 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.3 C([C@@H](CCl)O)O ACS010830 [2,0,0,0,0,0|1,1,0]=4 47 B5R0.3 C([C@@H](CO)O)N ACS010825 [2,0,0,0,0,0|1,1,0]=4 48 B5R0.3 C([C@H](CCl)O)O ACS010831 [2,0,0,0,0,0|1,1,0]=4 49 B5R0.3 NC(CO)CC ACS011654 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.3 NC[C@@H](CO)F ACF022187 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.3 NC[C@H](CO)F ACF022188 [2,0,0,0,0,0|2,0,0]=4 52 B7R1.1 BrCC1CCCC1 ACS010449 [1,0,0,1,0,0|1,0,0]=3 53 B7R1.1 C(C1CCCO1)O ACS011003 [1,0,0,1,0,0|1,0,0]=3 54 B7R1.1 C1(CCCC1)C#N ACS016748 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.1 C1(CCCC1)C=O ACS012176 [1,0,0,1,0,0|0,0,2]=4 56 B7R1.1 C1(CCCC1)CO ACS010445 [1,0,0,1,0,0|0,0,0]=2 57 B7R1.1 C1C[C@@H](NC1)CO ACS010976 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.1 FCC1NCCC1 ACF021659 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.1 FC[C@@H]1NCCC1 ACF021195 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.1 FC[C@@H]1NCCC1 ACF021196 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.1 FC[C@H]1NCCC1 ACF021193 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.1 FC[C@H]1NCCC1 ACF021194 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.2 CN1CC(CC1)O ACS024240 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.2 CN1C[C@@H](CC1)O ACS011600 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.2 FC1CC(CC1)O ACF022432 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.2 N[C@@H]1C[C@@H](CC1)O ACS017217 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.3 BrC1CCNCC1 ACS011194 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.3 CC1NCCCC1 ACS011067 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.3 CC1NCCNC1 ACS017193 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.3 C[C@@H]1CNCCO1 ACS011821 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.3 C[C@@H]1NCCOC1 ACS011439 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.3 C[C@@H]1NCCOC1 ACS011835 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.3 C[C@H]1CNCCO1 ACS011820 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 C[C@H]1NCCOC1 ACS011438 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.3 C[C@H]1NCCOC1 ACS011837 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.3 FC1CCNCC1 ACF021024 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.3 FC1CNCCC1 ACF021031 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.3 F[C@@H]1CNCCC1 ACF021039 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.3 F[C@H]1CNCCC1 ACF021040 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.3 N[C@@H]1CNCCC1 ACS011446 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.3 N[C@H]1CNCCC1 ACS010429 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.3 O1CCC(CC1)N ACS011243 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.3 OC1CCNCC1 ACS010966 [1,0,0,1,0,0|1,1,0]=4 84 B7R1.3 O[C@H]1CNCCC1 ACS011433 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022236 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022237 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021523 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021524 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021525 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF021365 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF022233 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.4 F[C@@H]1[C@@H](CNC1)O ACF022234 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021528 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021529 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021530 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022974 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022975 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.4 F[C@H]1[C@@H](CNC1)O ACF022976 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.4 F[C@H]1[C@H](CCC1)N ACF021526 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.4 F[C@H]1[C@H](CCC1)N ACF021527 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.4 F[C@H]1[C@H](CNC1)O ACF022235 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.4 N1C[C@@H]([C@H](C1)O)O ACS024147 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.6 FCCC1CNC1 ACF023592 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.6 N1(CCC1)CCO ACS020758 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.8 FC1C(CC1)CN ACF023536 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.8 FC1C(CC1)CN ACF023537 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.8 FC1C(CC1)CO ACF023531 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.10 FC1CC(C1)CN ACF022873 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.10 NC[C@@H]1C[C@H](F)C1 ACF022874 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.10 NC[C@H]1C[C@H](F)C1 ACF022875 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.22 C1(CC1)C(CO)F ACF022312 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.25 FC1(CCC1)CN ACF022213 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.25 FC1(CNC1)CO ACF023039 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.25 FC1(CNC1)CO ACF023040 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.25 FC1(COC1)CO ACF022833 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.25 FCC1(CNC1)C ACF023586 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.18 FC(C)C1CNC1 ACF023601 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.15 F[C@@H]1CNCC[C@@H]1CO ACF021457 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.15 F[C@@H]1CNCC[C@@H]1CO ACF021458 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.40 FC1(C(CNCC1)C)F ACF021314 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.40 FC1(C(CNCC1)C)F ACF021315 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.40 FC1(C(COCC1)N)F ACF021700 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.40 FC1(C(COCC1)N)F ACF021701 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.40 FC1COCCC1(O)O ACF023605 [0,1,0,1,0,0|1,1,0]=4 125 B9R1.121 FC1(C(CC1)(C)CO)F ACF023543 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.121 FC1(C(CC1)(F)F)CO ACF023544 [0,1,0,1,0,0|2,0,0]=4 127 B9R2.39 FC1C2CNC(C1)C2 ACF023451 [0,0,0,2,0,0|2,0,0]=4 128 B9R2.24 FC1[C@H]2OC[C@@H]1NC2 ACF023441 [0,0,0,2,0,0|2,0,0]=4 129 B9R2.140 FC1C2(CNC2)CC1 ACF022278 [0,0,0,2,0,0|2,0,0]=4