0 B9R0.19 CCOC(=O)C(C)(C)C#N SY017225 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.19 CCOC(=O)C(C)(C)CN SY008699 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.19 CCOC(=O)C(C)(C)CO SY104896 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.19 CCOC(=O)C(F)(F)CN SY009755 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.3 C=C(CO)C(=O)OCC SY053134 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.3 CCC(C)C(=O)CC#N SY268672 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.3 CCOC(=O)C(=O)CC SY025393 [1,0,0,0,0,0|0,0,2]=3 7 B8R0.3 CCOC(=O)C(=O)NC SY123697 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.3 CCOC(=O)C(C)C#N SY023747 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.3 CCOC(=O)C(Cl)C=O SY007483 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.3 CCOC(=O)C(N)CC SY013355 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.3 CCOC(=O)C(N)CO SY035107 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.3 CCOC(=O)[C@@H](N)CO SY016021 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.3 CCOC(=O)[C@@H](N)CS SY020967 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.3 CCOC(=O)[C@H](N)CO SY030352 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.3 CCOC(=O)\C(Cl)=N\C SY225086 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.13 COC(=O)C(C)(C)C#N SY023289 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.13 COC(=O)C(C)(C)CN SY026501 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.13 COC(=O)C(C)(C)CO SY001211 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.13 COC(=O)[C@](C)(N)CO SY262891 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.14 CC(C)(C)C(=O)OCI SY039192 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.14 CCOC(=O)C(C)(C)N SY042941 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.14 CCOC(=O)C(C)(F)F SY031452 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.14 CCOC(=O)C(F)(F)I SY040928 [1,0,0,0,0,0|3,0,0]=4 24 B10R0.36 CCOC(=O)C(C)(C)C(=O)O SY018092 [0,1,0,0,0,0|2,0,1]=4 25 B10R0.129 C=CCC(F)(F)C(=O)OCC SY033198 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.129 CCOC(=O)C(F)(F)CNC SY028887 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.401 CCOC(=O)C1(C)CCC1 SY046099 [0,0,0,1,0,0|1,0,0]=2 28 B10R1.405 CCOC(=O)C1(C#N)CC1 SY011017 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.405 CCOC(=O)C1(CBr)CC1 SY244420 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.405 CCOC(=O)C1(CF)CC1 SY129463 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.405 CCOC(=O)C1(CN)CC1 SY008706 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.405 CCOC(=O)C1(CN)CC1 SY020488 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.405 CCOC(=O)C1(CO)CC1 SY045896 [0,0,0,1,0,0|2,0,0]=3 34 B10R0.7 CCOC(=O)CS(=O)(=O)CC SY028839 [0,0,0,0,0,1|2,0,1]=4 35 B7R0.5 CC(C)C(=O)CCN SY263226 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.5 CC(C)C(=O)OCCl SY033791 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.5 CCNC(=O)[C@H](C)N SY297093 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.5 CCNC(=O)[C@H](C)N SY297094 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.5 CCOC(=O)C(=O)O SY257067 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.5 CCOC(=O)C(C)N SY004290 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.5 CCOC(=O)[C@@H](C)N SY021480 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.5 CCOC(=O)[C@@H](C)O SY030456 [2,0,0,0,0,0|0,0,0]=2 43 B7R0.7 CC#CC(=O)OCC SY037256 [2,0,0,0,0,0|0,0,2]=4 44 B7R0.7 CCCC(=O)OCCl SY018804 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.7 CCNC(=O)CCCl SY168089 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.7 CCNC(=O)NCC SY001914 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.7 CCOC(=O)CCBr SY001430 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.7 CCOC(=O)CCI SY031505 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.7 CCOC(=O)CCN SY001761 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.7 CCOC(=O)CCO SY008914 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.7 CCOC(=O)CNC SY007981 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.7 CCOC(=O)CNN SY021491 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.7 CCOC(=O)OCCl SY114398 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.10 CCC(=O)N(C)OC SY104588 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.10 CC[C@@H](N)C(=O)OC SY026012 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.10 CC[C@H](N)C(=O)OC SY096587 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.10 COC(=O)C(Br)CO SY246714 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.10 COC(=O)C(C)C=O SY238219 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.10 COC(=O)C(N)CO SY005975 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.10 COC(=O)C(O)CN SY029941 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.10 COC(=O)C(O)CO SY265586 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.10 COC(=O)[C@@H](Br)CO SY246715 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.10 COC(=O)[C@@H](C)CO SY016750 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.10 COC(=O)[C@@H](F)CN SY277955 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.10 COC(=O)[C@@H](N)CO SY005340 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.10 COC(=O)[C@@H](N)CS SY021999 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.10 COC(=O)[C@@H](O)CO SY017442 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.10 COC(=O)[C@H](C)CBr SY059958 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.10 COC(=O)[C@H](C)CO SY031653 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.10 COC(=O)[C@H](N)CO SY008009 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.10 COC(=O)[C@H](N)CS SY076955 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.10 COC(=O)[C@H](O)CO SY116554 [2,0,0,0,0,0|1,0,0]=3 73 B7R0.10 [C-]#[N+]C(C)C(=O)OC SY204645 [2,0,0,0,0,0|1,0,1]=4 74 B7R0.13 CC(=O)C(C)(C)CO SY143436 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.13 CC(C)(CBr)C(=O)O SY139625 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.13 CC(C)(CCl)C(=O)O SY051586 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.13 CC(C)(CN)C(=O)O SY022797 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.13 CC(C)(CO)C(=O)O SY017233 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.13 CC(N)(CO)C(=O)O SY047210 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.13 CCC(C)(O)C(=O)O SY051605 [2,0,0,0,0,0|0,0,0]=2 81 B7R0.13 CC[C@@](C)(N)C(=O)O SY074815 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.13 COC(C)(C)C(=O)O SY013214 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.13 C[C@@](N)(CO)C(=O)O SY047311 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.13 C[C@](N)(CO)C(=O)O SY047312 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.14 CC(C)(C)C(=O)ON SY264617 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.14 CC(C)(O)C(=O)NN SY104245 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.14 CCC(=O)C(C)(C)C SY036048 [2,0,0,0,0,0|1,0,0]=3 88 B7R0.14 CNC(=O)C(C)(C)C SY263071 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.14 COC(=O)C(C)(C)N SY010048 [2,0,0,0,0,0|1,0,0]=3 90 B7R0.14 COC(=O)C(C)(C)N SY031383 [2,0,0,0,0,0|1,0,0]=3 91 B7R0.8 CCCCC(C)(C)O SY051607 [2,0,0,0,0,0|1,0,1]=4 92 B9R0.6 CCOC(=O)C(=O)C(C)Br SY105905 [1,1,0,0,0,0|0,0,2]=4 93 B9R0.6 CCOC(=O)C(C)C(=O)[O-] SY238260 [1,1,0,0,0,0|1,0,1]=4 94 B9R0.6 CCOC(=O)C(C)C(C)=O SY005677 [1,1,0,0,0,0|0,0,1]=3 95 B9R0.6 CCOC(=O)C(F)C(C)=O SY010210 [1,1,0,0,0,0|1,0,1]=4 96 B9R0.6 CCOC(=O)C(O)C(C)N SY160880 [1,1,0,0,0,0|0,0,0]=2 97 B9R0.6 CCOC(=O)[C@H](N)C(C)C SY024068 [1,1,0,0,0,0|1,0,0]=3 98 B9R0.8 CCCOC(=O)C(O)CO SY284785 [1,1,0,0,0,0|1,0,0]=3 99 B9R0.35 C=CCC(O)C(=O)OCC SY265947 [1,1,0,0,0,0|0,0,1]=3 100 B9R0.35 CCOC(=N)C(=O)OCC SY047515 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.37 CCOC(=O)C(C#N)CC SY005851 [1,1,0,0,0,0|0,0,1]=3 102 B9R0.28 COC(=O)C(C)(C)C(C)=O SY012342 [1,1,0,0,0,0|1,0,1]=4 103 B9R0.69 COC(=O)C(C)(OC)OC SY053487 [1,1,0,0,0,0|1,0,0]=3 104 B11R0.354 CCOC(=O)CC(C)(C#N)CC SY254099 [0,1,0,0,0,1|1,0,0]=3 105 B11R0.240 CCOC(=O)C(C)(C)CC(=O)O SY201308 [0,2,0,0,0,0|1,0,1]=4 106 B9R1.5 C[C@@H]1NCCCNC1=O SY271664 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.5 C[C@H]1NCCCNC1=O SY267163 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.5 NC1CCCCNC1=O SY005802 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.5 N[C@@H]1CCCCNC1=O SY005803 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.5 N[C@@H]1CCCCNC1=O SY030978 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.15 CCC1CNCCC1=O SY286864 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.15 CCC1NCCCC1=O SY064260 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.15 O=C1NCCCC1CO SY139027 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.73 CCOC(=O)C1CNC1 SY037109 [1,0,0,1,0,0|1,0,0]=3 115 B9R1.74 CCOC(=O)C1(Br)CC1 SY024655 [1,0,0,1,0,0|1,0,0]=3 116 B9R1.74 CCOC(=O)C1(N)CC1 SY017504 [1,0,0,1,0,0|1,0,0]=3 117 B9R1.74 CCOC(=O)C1(N)CC1 SY017646 [1,0,0,1,0,0|1,0,0]=3 118 B9R1.40 CC1(C)CCCCC1=O SY031867 [1,0,0,1,0,0|1,0,0]=3 119 B9R1.40 CC1(C)CCCOC1=O SY254133 [1,0,0,1,0,0|1,0,0]=3 120 B9R1.40 CC1(C)CNCCC1=O SY031977 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.190 COC(=O)C1(CN)CC1 SY032358 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.190 COC(=O)C1(CO)CC1 SY260712 [1,0,0,1,0,0|2,0,0]=4 123 B11R1.979 C[C@]1(F)C(=O)O[C@H](CO)[C@H]1O SY097291 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.979 C[C@]1(O)C(=O)O[C@H](CO)[C@H]1O SY225343 [0,1,0,1,0,0|1,0,0]=3 125 B11R1.819 CCOC(=O)C1(C)CCCO1 SY027046 [0,1,0,1,0,0|0,0,0]=2 126 B11R1.819 CCOC(=O)C1(N)CC=CC1 SY253759 [0,1,0,1,0,0|1,0,1]=4 127 B11R1.831 CCOC(=O)C1(C#N)CCC1 SY191869 [0,1,0,1,0,0|1,0,0]=3 128 B9R0.34 C=CC(O)CC(=O)OCC SY075426 [1,0,0,0,0,1|0,0,2]=4 129 B9R0.34 CCOC(=O)CC(=O)CC SY008856 [1,0,0,0,0,1|0,0,2]=4 130 B9R0.34 CCOC(=O)CC(C)NC SY083221 [1,0,0,0,0,1|1,0,0]=3 131 B9R0.34 CCOC(=O)C[C@H](O)CCl SY018986 [1,0,0,0,0,1|1,0,0]=3 132 B9R0.34 CCOC(=O)\C=C(\C)NC SY016495 [1,0,0,0,0,1|1,0,1]=4 133 B9R0.44 CCNC(=O)OC(C)(C)C SY123488 [1,0,0,0,0,1|2,0,0]=4 134 B9R0.44 CCOC(=O)CC(C)(C)C SY049764 [1,0,0,0,0,1|1,0,0]=3 135 B9R0.44 CCOC(=O)CC(C)(C)N SY025331 [1,0,0,0,0,1|1,0,0]=3 136 B9R0.44 CCOC(=O)NC(C)(C)C SY262162 [1,0,0,0,0,1|1,0,0]=3