0 B8R0.3 C=C(C#N)C(=O)OCC D87637 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.3 C=C(CBr)C(=O)OCC 60939 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.3 C=C(CO)C(=O)OCC 35200 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.3 CCCC(=O)N(C)OC F19920 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.3 CCOC(=O)C(=O)CBr 23027 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.3 CCOC(=O)C(=O)CC RB3244 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.3 CCOC(=O)C(=O)NC W11374 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.3 CCOC(=O)C(=O)NN 24733 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.3 CCOC(=O)[C@@H](Br)CBr AB2839 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.3 CCOC(=O)[C@@H](Br)CC D70575 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.3 CCOC(=O)[C@@H](C)C=O O11759 [0,0,0,0,0,0|1,0,1]=2 11 B8R0.3 CCOC(=O)[C@@H](Cl)C=O 52355 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.3 CCOC(=O)[C@@H](N)CC 29271 [0,0,0,0,0,0|1,0,0]=1 13 B8R0.3 CCOC(=O)[C@@H](N)CC 90200 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.3 CCOC(=O)[C@@H](N)CC D84487 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.3 CCOC(=O)[C@@H](N)CO FD3048 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.3 CCOC(=O)[C@@H](N)CO FD3050 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.3 CCOC(=O)[C@@H](N)CO FD3052 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.3 CCOC(=O)[C@@H](N)CS AT20237 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.3 CCOC(=O)[C@@H](N)CS D70639 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.3 CCOC(=O)[C@H](C)C#N 23129 [0,0,0,0,0,0|1,0,1]=2 21 B8R0.3 CCOC(=O)\C(Cl)=N/O 86149 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.3 CCOC(=O)\C(Cl)=N\O CL4516 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.3 CCOC(=O)\C(N)=N/O F52083 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.3 C\C=C(/C)C(=O)OCC D94746 [0,0,0,0,0,0|0,0,2]=2 25 B7R0.3 CCOC[C@@H](O)CO H11846 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.5 C=C(Br)C(=O)OCC AB9222 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.5 CC(C)C(=O)CC#N 28992 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.5 CC(C)C(=O)OCBr D94295 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.5 CC(C)C(=O)OCCl P11842 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.5 CCCC(=O)C(C)C D91358 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.5 CCOC(=O)C(=O)O C75898 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.5 CCOC(=O)C(=O)[O-] D90598 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.5 CCOC(=O)C(C)=O D72526 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.5 CCOC(=O)C(F)F FD2077 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.5 CCOC(=O)C(N)=O C13633 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.5 CCOC(=O)C(N)=S 35744 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.5 CCOC(=O)N(C)C A10839 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.5 CCOC(=O)[C@@H](F)Br 76577 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.5 CCOC(=O)[C@@H](F)Cl 76578 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.5 CCOC(=O)[C@H](C)Br D96513 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.5 CCOC(=O)[C@H](C)F 28664 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.5 CCOC(=O)[C@H](C)F AT11657 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.5 CCOC(=O)[C@H](C)I D90599 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.5 CCOC(=O)[C@H](C)N 75100 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.5 CCOC(=O)[C@H](C)N FD21011 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.5 CCOC(=O)[C@H](C)N FD21071 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.5 CCOC(=O)[C@H](C)O 35087 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.5 CCOC(=O)[C@H](C)S D81899 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.5 CNCC(=O)N(C)C C77998 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.7 C=CCC(=O)OCC 74919 [1,0,0,0,0,0|0,0,2]=3 51 B7R0.7 CC#CC(=O)OCC 33793 [1,0,0,0,0,0|0,0,2]=3 52 B7R0.7 CCCC(=O)OCCl F20378 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.7 CCCC(N)CCC 28065 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.7 CCCC(O)CCC H10221 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.7 CCCN(C)CCC D95729 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.7 CCNC(=O)CC#N S10551 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.7 CCNC(=O)NCC F11262 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.7 CCOC(=O)CCBr F11254 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.7 CCOC(=O)CCCl D89381 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.7 CCOC(=O)CCI 23721 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.7 CCOC(=O)CCN AC7506 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.7 CCOC(=O)CCO 30936 [1,0,0,0,0,0|1,0,0]=2 63 B7R0.7 CCOC(=O)CCS D87716 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.7 CCOC(=O)CNC 73271 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.7 CCOC(=O)CNN 35068 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.7 CCOC(=O)COC F11239 [1,0,0,0,0,0|1,0,0]=2 67 B7R0.7 CCOC(=O)CSC I10203 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.7 CCOC(=O)OCC D97668 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.7 CCOC(=O)OCCl 23781 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.7 CCOC(=O)\C=C/Br T70763 [1,0,0,0,0,0|1,0,2]=4 71 B7R0.7 CCOC(=O)\C=C/I D81841 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.7 CCOC(=O)\C=C\I 72163 [1,0,0,0,0,0|1,0,2]=4 73 B7R0.7 CCOC(=O)\C=C\[O-] P20682 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.7 CCOP(Cl)OCC H10781 [1,0,0,0,0,0|3,0,0]=4 75 B7R0.7 CCO[PH](=O)OCC 28436 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.7 O=C(CCCl)CCCl 35039 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.7 [C-]#[N+]CC(=O)OCC 23174 [1,0,0,0,0,0|1,0,1]=3 78 B7R0.10 C=C(CBr)C(=O)OC 35784 [1,0,0,0,0,0|1,0,2]=4 79 B7R0.10 C=C(CO)C(=O)OC 35969 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.10 CCC(=O)C(=O)CC D90906 [1,0,0,0,0,0|1,0,1]=3 81 B7R0.10 CCC(=O)C(=O)OC F16310 [1,0,0,0,0,0|1,0,1]=3 82 B7R0.10 CCC(=O)N(C)OC AR3350 [1,0,0,0,0,0|2,0,0]=3 83 B7R0.10 CCC(=O)[C@@H](O)CC D92050 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.10 CCC(S)C(C)CO A10541 [1,0,0,0,0,0|1,1,1]=4 85 B7R0.10 CC[C@@H](C)[C@@H](N)CO AC7563 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.10 CC[C@@H](C)[C@@H](N)CO FD21812 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.10 CC[C@H](Br)C(=O)OC H11989 [1,0,0,0,0,0|1,0,0]=2 88 B7R0.10 CC[C@H](N)C(=O)OC 63264 [1,0,0,0,0,0|1,0,0]=2 89 B7R0.10 CC[C@H](N)C(=O)OC F11947 [1,0,0,0,0,0|1,0,0]=2 90 B7R0.10 CC[C@H](N)C(=O)OC H10859 [1,0,0,0,0,0|1,0,0]=2 91 B7R0.10 CC[C@H](O)C(=O)OC D94650 [1,0,0,0,0,0|1,0,0]=2 92 B7R0.10 CN[C@@H](C)C(=O)OC D84599 [1,0,0,0,0,0|1,0,0]=2 93 B7R0.10 CN[C@@H](C)C(=O)OC FD21060 [1,0,0,0,0,0|1,0,0]=2 94 B7R0.10 COC(=O)C(=O)CBr O11905 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.10 COC(=O)[C@@H](Br)CBr AB2902 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.10 COC(=O)[C@@H](Br)CO D84458 [1,0,0,0,0,0|2,0,0]=3 97 B7R0.10 COC(=O)[C@@H](C)CBr D70325 [1,0,0,0,0,0|1,0,0]=2 98 B7R0.10 COC(=O)[C@@H](C)CN E72583 [1,0,0,0,0,0|1,0,0]=2 99 B7R0.10 COC(=O)[C@@H](C)CO F12962 [1,0,0,0,0,0|1,0,0]=2 100 B7R0.10 COC(=O)[C@@H](C)CO TD8064 [1,0,0,0,0,0|1,0,0]=2 101 B7R0.10 COC(=O)[C@@H](F)CO 36756 [1,0,0,0,0,0|2,0,0]=3 102 B7R0.10 COC(=O)[C@@H](N)CCl FD3091 [1,0,0,0,0,0|2,0,0]=3 103 B7R0.10 COC(=O)[C@@H](N)CCl O11861 [1,0,0,0,0,0|2,0,0]=3 104 B7R0.10 COC(=O)[C@@H](N)CN D83300 [1,0,0,0,0,0|2,0,0]=3 105 B7R0.10 COC(=O)[C@@H](N)CO 20054 [1,0,0,0,0,0|2,0,0]=3 106 B7R0.10 COC(=O)[C@@H](N)CO 20056 [1,0,0,0,0,0|2,0,0]=3 107 B7R0.10 COC(=O)[C@@H](N)CO 39397 [1,0,0,0,0,0|2,0,0]=3 108 B7R0.10 COC(=O)[C@@H](N)CO AB7436 [1,0,0,0,0,0|2,0,0]=3 109 B7R0.10 COC(=O)[C@@H](N)CS 27842 [1,0,0,0,0,0|2,0,0]=3 110 B7R0.10 COC(=O)[C@@H](N)CS FD21234 [1,0,0,0,0,0|2,0,0]=3 111 B7R0.10 COC(=O)[C@@H](N)CS H10905 [1,0,0,0,0,0|2,0,0]=3 112 B7R0.10 COC(=O)[C@@H](O)CO 24991 [1,0,0,0,0,0|2,0,0]=3 113 B7R0.10 COC(=O)[C@H](C)OC AT18834 [1,0,0,0,0,0|1,0,0]=2 114 B7R0.10 CON(C)C(=O)CCl 84008 [1,0,0,0,0,0|3,0,0]=4 115 B7R0.10 C\C=C(/Br)C(=O)OC 69499 [1,0,0,0,0,0|1,0,2]=4 116 B9R0.6 CCOC(=O)C(=O)C(C)C 76551 [0,1,0,0,0,0|1,0,1]=3 117 B9R0.6 CCOC(=O)[C@@H](Br)C(C)=O D97591 [0,1,0,0,0,0|1,0,1]=3 118 B9R0.6 CCOC(=O)[C@@H](Br)C(C)C 33249 [0,1,0,0,0,0|1,0,0]=2 119 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O F11259 [0,1,0,0,0,0|0,0,1]=2 120 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O D77847 [0,1,0,0,0,0|1,0,1]=3 121 B9R0.6 CCOC(=O)[C@@H](F)C(C)=O AT18756 [0,1,0,0,0,0|1,0,1]=3 122 B9R0.6 CCOC(=O)[C@@H](N)C(C)C D82384 [0,1,0,0,0,0|1,0,0]=2 123 B9R0.6 CCOC(=O)[C@@H](N)C(C)C F16291 [0,1,0,0,0,0|1,0,0]=2 124 B9R0.6 CCOC(=O)[C@@H](N)C(C)C I11507 [0,1,0,0,0,0|1,0,0]=2 125 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O AB10194 [0,1,0,0,0,0|1,0,0]=2 126 B9R0.6 CCOC(=O)[C@H](C)[N+](=O)[O-] D74922 [0,1,0,0,0,0|2,0,0]=3 127 B9R0.8 CCCOC(=O)[C@@H](C)CC D92159 [0,1,0,0,0,0|0,0,0]=1 128 B9R0.8 CON(C)C(=O)CCCCl W16956 [0,1,0,0,0,0|3,0,0]=4 129 B9R0.19 CCOC(=O)C(C)(C)C#N 30607 [0,1,0,0,0,0|1,0,1]=3 130 B9R0.19 CCOC(=O)C(C)(C)CN 54140 [0,1,0,0,0,0|1,0,0]=2 131 B9R0.19 CCOC(=O)C(C)(C)CN D95025 [0,1,0,0,0,0|1,0,0]=2 132 B9R0.19 CCOC(=O)C(C)(C)CO A11089 [0,1,0,0,0,0|1,0,0]=2 133 B9R0.19 CCOC(=O)C(F)(F)CBr D79192 [0,1,0,0,0,0|2,0,0]=3 134 B9R0.19 CCOC(=O)C(F)(F)CN 32241 [0,1,0,0,0,0|2,0,0]=3 135 B9R0.23 CON(C)C(=O)CC(C)C 71935 [0,1,0,0,0,0|3,0,0]=4 136 B9R0.35 C=CC[C@H](C)C(=O)OCC D90556 [0,1,0,0,0,0|0,0,1]=2 137 B9R0.35 CCCC(=O)C(=O)OCC 34423 [0,1,0,0,0,0|1,0,1]=3 138 B9R0.35 CCCC(=O)[C@@H](O)CCC D88723 [0,1,0,0,0,0|2,0,0]=3 139 B9R0.35 CCC[C@H](Br)C(=O)OCC H11305 [0,1,0,0,0,0|1,0,0]=2 140 B9R0.35 CCC[C@H](N)C(=O)OCC 64698 [0,1,0,0,0,0|1,0,0]=2 141 B9R0.35 CCC[C@H](O)C(=O)OCC D90546 [0,1,0,0,0,0|1,0,0]=2 142 B9R0.35 CCOC(=N)C(=O)OCC 36102 [0,1,0,0,0,0|1,0,1]=3 143 B9R0.35 CCOC(=O)[C@@H](Br)CCBr AB1432 [0,1,0,0,0,0|1,0,0]=2 144 B9R0.35 CCOC(=O)[C@H](Cl)OCC F20949 [0,1,0,0,0,0|1,0,0]=2 145 B9R0.37 CCC(CC)C(=O)OCCl D93086 [0,1,0,0,0,0|1,0,0]=2 146 B9R0.37 CCOC(=O)C(C=O)C=O 39194 [0,1,0,0,0,0|1,0,2]=4 147 B9R0.37 CCOC(=O)C(CBr)CBr AB9223 [0,1,0,0,0,0|1,0,0]=2 148 B9R0.37 CCOC(=O)[C@@H](C#N)CC AB11285 [0,1,0,0,0,0|0,0,1]=2 149 B9R1.3 CC1C(=O)CCCC1=O F19547 [0,0,0,1,0,0|2,0,1]=4 150 B9R1.3 CC1CCCC(O)C1C C72857 [0,0,0,1,0,0|1,0,2]=4 151 B9R1.5 CN1CCCCCC1=O F20350 [0,0,0,1,0,0|2,0,0]=3 152 B9R1.5 CN1CCNCCC1=O Y10627 [0,0,0,1,0,0|3,0,0]=4 153 B9R1.5 N[C@H]1CCCCNC1=O 36347 [0,0,0,1,0,0|2,0,0]=3 154 B9R1.5 N[C@H]1CCCCNC1=O 52018 [0,0,0,1,0,0|2,0,0]=3 155 B9R1.5 N[C@H]1CCCCNC1=O A56019 [0,0,0,1,0,0|2,0,0]=3 156 B9R1.5 N[C@H]1CCCCNC1=O A56021 [0,0,0,1,0,0|2,0,0]=3 157 B9R1.5 N[C@H]1CCCCNC1=O Y10023 [0,0,0,1,0,0|2,0,0]=3 158 B9R1.15 CC[C@@H]1NCCNC1=O 60848 [0,0,0,1,0,0|2,0,0]=3 159 B9R1.15 CC[C@H]1CCCCC1=O D97760 [0,0,0,1,0,0|1,0,0]=2 160 B9R1.15 CO[C@H]1CCCCC1=O P19682 [0,0,0,1,0,0|2,0,0]=3 161 B9R1.15 N#C[C@H]1CCCCC1=O W17330 [0,0,0,1,0,0|2,0,1]=4 162 B9R1.37 CC1=C(O)C(=O)O[C@H]1C D82247 [0,0,0,1,0,0|1,0,2]=4 163 B9R1.37 CC1CC(=O)C(=O)C1C D81912 [0,0,0,1,0,0|2,0,1]=4 164 B9R1.69 CC1CCC(C)C(O)C1 D89706 [0,0,0,1,0,0|1,0,2]=4 165 B9R1.69 CN1CC[C@H](N)CC1=O 37085 [0,0,0,1,0,0|3,0,0]=4 166 B9R1.73 CCOC(=O)C1CCC1 11047 [0,0,0,1,0,0|0,0,0]=1 167 B9R1.73 CCOC(=O)C1CNC1 60712 [0,0,0,1,0,0|1,0,0]=2 168 B9R1.73 N#CCC(=O)C1CCC1 83493 [0,0,0,1,0,0|2,0,1]=4 169 B9R1.74 CCOC(=O)C1(Br)CC1 95835 [0,0,0,1,0,0|1,0,0]=2 170 B9R1.74 CCOC(=O)C1(C)CC1 F14047 [0,0,0,1,0,0|0,0,0]=1 171 B9R1.74 CCOC(=O)C1(N)CC1 83037 [0,0,0,1,0,0|1,0,0]=2 172 B9R1.74 CCOC(=O)C1(N)CC1 FD1022 [0,0,0,1,0,0|1,0,0]=2 173 B9R1.74 CCOC(=O)C1(O)CC1 70470 [0,0,0,1,0,0|1,0,0]=2 174 B9R1.101 CON(C)C(=O)C1CC1 32267 [0,0,0,1,0,0|3,0,0]=4 175 B9R1.183 CCOC(=O)[C@@H]1C[C@@H]1F CS3357 [0,0,0,1,0,0|1,0,0]=2 176 B9R0.34 CCOC(=O)CC(=O)CBr 34205 [0,0,0,0,0,1|2,0,1]=4 177 B9R0.34 CCOC(=O)CC(=O)CC 28527 [0,0,0,0,0,1|1,0,1]=3 178 B9R0.34 CCOC(=O)CC(=O)CCl D77354 [0,0,0,0,0,1|2,0,1]=4 179 B9R0.34 CCOC(=O)CC(=O)NC F20489 [0,0,0,0,0,1|2,0,1]=4 180 B9R0.34 CCOC(=O)C[C@H](O)CCl 23033 [0,0,0,0,0,1|2,0,0]=3 181 B9R0.34 CCOC(=O)C[C@H](O)CCl 23075 [0,0,0,0,0,1|2,0,0]=3 182 B9R0.34 CCOC(=O)\C=C(/C)C=O F16586 [0,0,0,0,0,1|1,0,2]=4 183 B9R0.34 CCOC(=O)\C=C(/C)NC AC7636 [0,0,0,0,0,1|1,0,1]=3 184 B6R0.1 C#CC(=O)OCC 35931 [2,0,0,0,0,0|0,0,2]=4 185 B6R0.1 C=CCC(=O)OC F15018 [2,0,0,0,0,0|0,0,2]=4 186 B6R0.1 CC#CC(=O)OC D73343 [2,0,0,0,0,0|0,0,2]=4 187 B6R0.1 CCC(=O)CC#N 28991 [2,0,0,0,0,0|1,0,1]=4 188 B6R0.1 CCCC(=O)CC D90801 [2,0,0,0,0,0|0,0,0]=2 189 B6R0.1 CCCC(=O)NN O11707 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.1 CCCC(=O)SC D91533 [2,0,0,0,0,0|0,1,0]=3 191 B6R0.1 CCC[C@@H](Cl)CC D76318 [2,0,0,0,0,0|1,0,1]=4 192 B6R0.1 CCC[C@H](C)CCl D89415 [2,0,0,0,0,0|1,0,1]=4 193 B6R0.1 CCOC(=N)CC W15737 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.1 CCOC(=O)CN C93496 [2,0,0,0,0,0|1,0,0]=3 195 B6R0.1 CCOC(=O)CO 39380 [2,0,0,0,0,0|1,0,0]=3 196 B6R0.1 CCOC(=O)CS F21271 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.1 CCOC(=O)NC D91332 [2,0,0,0,0,0|1,0,0]=3 198 B6R0.1 CCOC(=O)NN D77690 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.1 CCOC(=O)OC A11149 [2,0,0,0,0,0|1,0,0]=3 200 B6R0.1 CCO[C@@H](C)CC D88933 [2,0,0,0,0,0|0,0,0]=2 201 B6R0.1 CNCC(=O)NC 71568 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.1 CNCC(=O)OC 73733 [2,0,0,0,0,0|1,0,0]=3 203 B6R0.1 COC(=O)CC#N D77797 [2,0,0,0,0,0|1,0,1]=4 204 B6R0.1 COC(=O)CCBr AB7483 [2,0,0,0,0,0|1,0,0]=3 205 B6R0.1 COC(=O)CCCl D95821 [2,0,0,0,0,0|1,0,0]=3 206 B6R0.1 COC(=O)CCN S12362 [2,0,0,0,0,0|1,0,0]=3 207 B6R0.1 COC(=O)CCO 29940 [2,0,0,0,0,0|1,0,0]=3 208 B6R0.1 COC(=O)CCS D70327 [2,0,0,0,0,0|1,0,0]=3 209 B6R0.1 COC(=O)CSC D87959 [2,0,0,0,0,0|1,0,0]=3 210 B6R0.1 CONC(=O)OC D81547 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.1 C\C=C\C(=O)CC 74326 [2,0,0,0,0,0|0,0,2]=4 212 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [2,0,0,0,0,0|1,0,1]=4 213 B6R0.4 CCOCC(C)C D93520 [2,0,0,0,0,0|0,0,1]=3 214 B6R0.6 CCCNCCC D89745 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.6 CCC\C=C\CO D78301 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.6 CCOCCCCl D95770 [2,0,0,0,0,0|1,0,1]=4 217 B6R0.6 CCOCCCO D95933 [2,0,0,0,0,0|1,0,1]=4 218 B6R0.6 CC\C=C/CCO 73722 [2,0,0,0,0,0|2,0,0]=4 219 B6R0.3 CC(=O)[C@H](C)C#N 50820 [2,0,0,0,0,0|1,0,1]=4 220 B6R0.3 CC(C)C(=O)CBr 24581 [2,0,0,0,0,0|1,0,0]=3 221 B6R0.3 CC(C)C(=O)NN 71035 [2,0,0,0,0,0|2,0,0]=4 222 B6R0.3 CCC(=O)C(=O)O O10846 [2,0,0,0,0,0|1,0,1]=4 223 B6R0.3 CCC(=O)N(C)C A10841 [2,0,0,0,0,0|1,0,0]=3 224 B6R0.3 CCC(=O)[C@H](C)Br T71350 [2,0,0,0,0,0|1,0,0]=3 225 B6R0.3 CCC(=S)N(C)C D81484 [2,0,0,0,0,0|1,1,0]=4 226 B6R0.3 CCN(C)C(=O)Cl F20387 [2,0,0,0,0,0|2,0,0]=4 227 B6R0.3 CC[C@H](Br)C(=O)Br D88666 [2,0,0,0,0,0|2,0,0]=4 228 B6R0.3 CC[C@H](Br)C(=O)Cl D89047 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.3 CC[C@H](Br)C(=O)O P18633 [2,0,0,0,0,0|1,0,0]=3 230 B6R0.3 CC[C@H](Br)C(=O)O P18634 [2,0,0,0,0,0|1,0,0]=3 231 B6R0.3 CC[C@H](Br)C(N)=O F30757 [2,0,0,0,0,0|2,0,0]=4 232 B6R0.3 CC[C@H](C)B(O)O 33152 [2,0,0,0,0,0|1,0,1]=4 233 B6R0.3 CC[C@H](C)C(=O)O 88657 [2,0,0,0,0,0|0,0,0]=2 234 B6R0.3 CC[C@H](C)C(=O)O 88663 [2,0,0,0,0,0|0,0,0]=2 235 B6R0.3 CC[C@H](Cl)C(=O)O D89205 [2,0,0,0,0,0|1,0,0]=3 236 B6R0.3 CC[C@H](N)C(=O)O 11781 [2,0,0,0,0,0|1,0,0]=3 237 B6R0.3 CC[C@H](N)C(=O)O 23105 [2,0,0,0,0,0|1,0,0]=3 238 B6R0.3 CC[C@H](N)C(=O)O 25309 [2,0,0,0,0,0|1,0,0]=3 239 B6R0.3 CC[C@H](N)C(=O)O 80046 [2,0,0,0,0,0|1,0,0]=3 240 B6R0.3 CC[C@H](N)C(N)=O F11533 [2,0,0,0,0,0|2,0,0]=4 241 B6R0.3 CC[C@H](O)C(=O)O 24676 [2,0,0,0,0,0|1,0,0]=3 242 B6R0.3 CC[C@H](O)C(=O)O A11368 [2,0,0,0,0,0|1,0,0]=3 243 B6R0.3 CC[C@H](O)C(=O)O D90822 [2,0,0,0,0,0|1,0,0]=3 244 B6R0.3 CC[C@H](O)C(=O)[O-] S10336 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.3 CC[C@H](O)C(=O)[O-] S10400 [2,0,0,0,0,0|1,0,1]=4 246 B6R0.3 CN(C)C(=O)CBr 36126 [2,0,0,0,0,0|2,0,0]=4 247 B6R0.3 CN(C)C(=O)CCl 28569 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.3 CN(C)C(=O)CN 24099 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.3 CN(C)C(=O)CN S10593 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.3 CN(C)C(=O)CO C77616 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.3 CN[C@@H](C)C(=O)O 28475 [2,0,0,0,0,0|1,0,0]=3 252 B6R0.3 CN[C@@H](C)C(=O)O FD21004 [2,0,0,0,0,0|1,0,0]=3 253 B6R0.3 CN[C@@H](C)C(=O)O FD21006 [2,0,0,0,0,0|1,0,0]=3 254 B6R0.3 COC(=O)C(F)F D91567 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.3 COC(=O)[C@H](C)Cl 63239 [2,0,0,0,0,0|1,0,0]=3 256 B6R0.3 COC(=O)[C@H](C)Cl O10227 [2,0,0,0,0,0|1,0,0]=3 257 B6R0.3 COC(=O)[C@H](C)N AB10084 [2,0,0,0,0,0|1,0,0]=3 258 B6R0.3 COC(=O)[C@H](C)N AC7812 [2,0,0,0,0,0|1,0,0]=3 259 B6R0.3 COC(=O)[C@H](C)N FD21010 [2,0,0,0,0,0|1,0,0]=3 260 B6R0.3 COC(=O)[C@H](C)O C10549 [2,0,0,0,0,0|1,0,0]=3 261 B6R0.3 COC(=O)[C@H](C)O F11215 [2,0,0,0,0,0|1,0,0]=3 262 B6R0.3 CON(C)C(C)=O O12025 [2,0,0,0,0,0|2,0,0]=4 263 B6R0.3 CO[C@@H](C)C(=O)O 25435 [2,0,0,0,0,0|1,0,0]=3 264 B6R0.3 CO[C@@H](C)C(=O)O 77786 [2,0,0,0,0,0|1,0,0]=3 265 B6R0.3 CO[C@@H](C)C(=O)O CS1158 [2,0,0,0,0,0|1,0,0]=3 266 B6R0.3 C[C@@H](CBr)C(=O)O A10794 [2,0,0,0,0,0|1,0,0]=3 267 B6R0.3 C[C@@H](CN)C(=O)O 22851 [2,0,0,0,0,0|1,0,0]=3 268 B6R0.3 C[C@@H](CN)C(=O)O 52204 [2,0,0,0,0,0|1,0,0]=3 269 B6R0.3 C[C@@H](CS)C(=O)O D91461 [2,0,0,0,0,0|1,0,0]=3 270 B6R0.3 C\C=C(/C)C(=O)O D78012 [2,0,0,0,0,0|0,0,2]=4 271 B6R0.3 C\C=C(\C)C(=O)O 11732 [2,0,0,0,0,0|0,0,2]=4 272 B6R0.3 NC[C@H](N)C(=O)O 22838 [2,0,0,0,0,0|2,0,0]=4 273 B6R0.3 NC[C@H](N)C(=O)O 51944 [2,0,0,0,0,0|2,0,0]=4 274 B6R0.3 NC[C@H](N)C(=O)O 51945 [2,0,0,0,0,0|2,0,0]=4 275 B6R0.3 NC[C@H](N)C(=O)O FD1046 [2,0,0,0,0,0|2,0,0]=4 276 B6R0.3 NC[C@H](O)C(=O)O 50049 [2,0,0,0,0,0|2,0,0]=4 277 B6R0.3 NC[C@H](O)C(=O)O C10711 [2,0,0,0,0,0|2,0,0]=4 278 B6R0.3 N[C@@H](CCl)C(=O)O 77992 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.3 N[C@@H](CCl)C(=O)O F11547 [2,0,0,0,0,0|2,0,0]=4 280 B6R0.3 N[C@@H](CCl)C(=O)O FD21123 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.3 N[C@@H](CO)C(=O)O 29580 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.3 N[C@@H](CO)C(=O)O 30744 [2,0,0,0,0,0|2,0,0]=4 283 B6R0.3 N[C@@H](CO)C(=O)O D70822 [2,0,0,0,0,0|2,0,0]=4 284 B6R0.3 N[C@@H](CS)C(=O)O 22868 [2,0,0,0,0,0|2,0,0]=4 285 B6R0.3 N[C@@H](CS)C(=O)O 24506 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.3 N[C@@H](CS)C(=O)O 37900 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.3 N[C@@H](CS)C(=O)O AC8040 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.3 N[C@@H](CS)C(=O)O E72644 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.3 N[C@@H](CS)C(=O)O FD21265 [2,0,0,0,0,0|2,0,0]=4 290 B6R0.3 N[C@@H](CS)C(=O)O FD21267 [2,0,0,0,0,0|2,0,0]=4 291 B6R0.3 N[C@@H](CS)C(=O)O FD21272 [2,0,0,0,0,0|2,0,0]=4 292 B6R0.3 N[C@@H](CS)C(=O)O FD3010 [2,0,0,0,0,0|2,0,0]=4 293 B6R0.3 O=C(O)[C@@H](Br)CBr O10565 [2,0,0,0,0,0|2,0,0]=4 294 B6R0.3 O=C(O)[C@@H](Br)CO AB10178 [2,0,0,0,0,0|2,0,0]=4 295 B6R0.3 O=C(O)[C@@H](Cl)CCl D89648 [2,0,0,0,0,0|2,0,0]=4 296 B6R0.3 O=C(O)[C@@H](O)CO A51166 [2,0,0,0,0,0|2,0,0]=4 297 B8R0.11 CCCC[C@H](CC)CBr D77662 [1,1,0,0,0,0|1,0,1]=4 298 B8R0.11 CCCC[C@H](CC)CCl D89423 [1,1,0,0,0,0|1,0,1]=4 299 B8R0.11 CCCC[C@H](CC)CN D90440 [1,1,0,0,0,0|1,0,1]=4 300 B8R0.11 CCCC[C@H](CC)CO D72516 [1,1,0,0,0,0|1,0,1]=4 301 B8R0.11 CCCC[C@H](CC)CS D90586 [1,1,0,0,0,0|1,0,1]=4 302 B8R0.2 CON(C)C(=O)C(C)C P15527 [1,1,0,0,0,0|2,0,0]=4 303 B8R0.14 CC(C)(C)C(=O)OCCl D77849 [1,1,0,0,0,0|1,0,0]=3 304 B8R0.14 CC(C)(C)C(=O)OCI F11433 [1,1,0,0,0,0|1,0,0]=3 305 B8R0.14 CCOC(=O)C(C)(C)F 88179 [1,1,0,0,0,0|0,0,0]=2 306 B8R0.14 CCOC(=O)C(C)(C)N 20759 [1,1,0,0,0,0|0,0,0]=2 307 B8R0.14 CCOC(=O)C(C)(C)O D90826 [1,1,0,0,0,0|0,0,0]=2 308 B8R0.14 CCOC(=O)C(C)(F)F 87330 [1,1,0,0,0,0|1,0,0]=3 309 B8R0.14 CCOC(=O)C(Cl)(Cl)Cl P16690 [1,1,0,0,0,0|2,0,0]=4 310 B8R0.14 CCOC(=O)C(F)(Br)Br AT21588 [1,1,0,0,0,0|2,0,0]=4 311 B8R0.14 CCOC(=O)C(F)(F)Br 36309 [1,1,0,0,0,0|2,0,0]=4 312 B8R0.14 CCOC(=O)C(F)(F)Cl D78208 [1,1,0,0,0,0|2,0,0]=4 313 B8R0.14 CCOC(=O)C(F)(F)F 55785 [1,1,0,0,0,0|2,0,0]=4 314 B8R0.14 CCOC(=O)C(F)(F)I FD2095 [1,1,0,0,0,0|2,0,0]=4 315 B8R0.23 CC(=O)CC(=O)C(C)C 76315 [1,1,0,0,0,0|1,0,1]=4 316 B8R0.23 CC(C)OC(=O)[C@H](C)N 34399 [1,1,0,0,0,0|1,0,0]=3 317 B8R0.23 CC(C)OC(=O)[C@H](C)N F20403 [1,1,0,0,0,0|1,0,0]=3 318 B8R0.5 CC(C)OC(=O)CC#N D97852 [1,1,0,0,0,0|1,0,1]=4 319 B8R0.5 CC(C)OC(=O)OCCl D77787 [1,1,0,0,0,0|2,0,0]=4 320 B8R0.5 CCOC(=O)C=C(C)C O11780 [1,1,0,0,0,0|0,0,2]=4 321 B8R0.5 CCOC(=O)CC(=N)N AR2171 [1,1,0,0,0,0|1,0,1]=4 322 B8R0.5 CCOC(=O)CC(=O)Cl S10339 [1,1,0,0,0,0|1,0,1]=4 323 B8R0.5 CCOC(=O)CC(=O)O F20358 [1,1,0,0,0,0|1,0,1]=4 324 B8R0.5 CCOC(=O)CC(=O)[O-] 28442 [1,1,0,0,0,0|1,0,1]=4 325 B8R0.5 CCOC(=O)CC(N)=O 33127 [1,1,0,0,0,0|1,0,1]=4 326 B8R0.5 CCOC(=O)CC(N)=S F20893 [1,1,0,0,0,0|1,0,1]=4 327 B8R0.5 CCOC(=O)CN(C)C D78232 [1,1,0,0,0,0|1,0,0]=3 328 B8R0.5 CCOC(=O)C[C@H](C)Br 29510 [1,1,0,0,0,0|0,0,0]=2 329 B8R0.5 CCOC(=O)C[C@H](C)N A11039 [1,1,0,0,0,0|0,0,0]=2 330 B8R0.5 CCOC(=O)C[C@H](C)N AC9275 [1,1,0,0,0,0|0,0,0]=2 331 B8R0.5 CCOC(=O)C[C@H](C)O D70263 [1,1,0,0,0,0|0,0,0]=2 332 B8R0.5 CCOC(=O)C[C@H](C)O F16431 [1,1,0,0,0,0|0,0,0]=2 333 B8R0.5 CCOC(=O)C[C@H](C)O SC1027 [1,1,0,0,0,0|0,0,0]=2 334 B8R0.5 CCOC(=O)C[N+](=O)[O-] 76581 [1,1,0,0,0,0|2,0,0]=4 335 B8R0.5 CCOC(=O)NC(C)=O W18296 [1,1,0,0,0,0|1,0,1]=4 336 B8R0.5 CCOC(=O)O[C@H](C)Cl AC7896 [1,1,0,0,0,0|1,0,0]=3 337 B8R0.5 CCOC(=O)\C=C(\C)I AC5957 [1,1,0,0,0,0|0,0,2]=4 338 B8R0.5 CCOC(=O)\C=C(\C)N A11031 [1,1,0,0,0,0|0,0,2]=4 339 B8R0.5 CCOC(=O)\C=C(\C)N AB1419 [1,1,0,0,0,0|0,0,2]=4 340 B8R0.22 CCCN(C=O)CCC D70355 [1,1,0,0,0,0|2,0,0]=4 341 B8R0.22 CCCN(CCC)N=O D91709 [1,1,0,0,0,0|2,0,0]=4 342 B8R0.30 CCCS(=O)(=O)CCC D89800 [1,1,0,0,0,0|2,0,0]=4 343 B8R0.30 CCOP(=O)(O)OCC F15034 [1,1,0,0,0,0|2,0,0]=4 344 B8R0.30 CCOP(=O)([O-])OCC D90614 [1,1,0,0,0,0|2,0,0]=4 345 B8R0.30 CCOP(C)(=O)OCC D93192 [1,1,0,0,0,0|2,0,0]=4 346 B8R0.30 CCOP(N)(=O)OCC D90052 [1,1,0,0,0,0|2,0,0]=4 347 B8R0.13 CC[C@](C)(N)C(=O)OC H10174 [1,1,0,0,0,0|0,0,0]=2 348 B8R0.13 COC(=O)C(C)(C)C#N O11874 [1,1,0,0,0,0|1,0,1]=4 349 B8R0.13 COC(=O)C(C)(C)CN 30904 [1,1,0,0,0,0|1,0,0]=3 350 B8R0.13 COC(=O)C(C)(C)CO AB7536 [1,1,0,0,0,0|1,0,0]=3 351 B8R0.13 COC(=O)C(Cl)(Cl)OC F12542 [1,1,0,0,0,0|2,0,0]=4 352 B8R0.20 CCN(CC)C(=O)CCl F14859 [1,1,0,0,0,0|2,0,0]=4 353 B8R0.20 CCN(CC)C(=O)CO W17359 [1,1,0,0,0,0|2,0,0]=4 354 B8R0.20 COC(=O)C(CBr)CBr 64019 [1,1,0,0,0,0|1,0,0]=3 355 B8R0.20 COC(=O)C(OC)OC 39412 [1,1,0,0,0,0|1,0,0]=3 356 B10R0.2 CCC[C@H](O)CC(=O)OCC D70264 [0,1,0,0,0,1|1,0,0]=3 357 B10R0.2 CCOC(=N)CC(=O)OCC 89099 [0,1,0,0,0,1|1,0,1]=4 358 B10R0.2 CCOC(=O)CC(=O)COC 74076 [0,1,0,0,0,1|1,0,1]=4 359 B10R0.2 CCOC(=O)CC(=O)OCC D78522 [0,1,0,0,0,1|1,0,1]=4 360 B10R0.2 CCOC(=O)C[C@@H](O)CCN 56047 [0,1,0,0,0,1|1,0,0]=3 361 B10R0.2 CCOC(=O)C[C@H](O)CC#N 28252 [0,1,0,0,0,1|1,0,1]=4 362 B10R0.2 CCOC(=O)C[C@H](O)CC#N 60923 [0,1,0,0,0,1|1,0,1]=4 363 B10R0.2 CCOC(=O)NC(=O)OCC AC1286 [0,1,0,0,0,1|1,0,1]=4 364 B10R0.2 CCOC(=O)OC(=O)OCC H11295 [0,1,0,0,0,1|1,0,1]=4 365 B10R0.26 CCOC(=O)CC(=O)C(C)C O11797 [0,1,0,0,0,1|1,0,1]=4 366 B10R0.35 CCOC(=O)C(=O)N(C)OC 32260 [0,1,0,0,0,1|2,0,0]=4 367 B10R0.35 CCOC(=O)C(=O)[C@@H](Br)CC F10248 [0,1,0,0,0,1|1,0,0]=3 368 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC FD21806 [0,1,0,0,0,1|0,0,0]=2 369 B10R0.36 CCOC(=O)C(C)(C)C(=O)Cl 35296 [0,2,0,0,0,0|1,0,1]=4 370 B10R0.36 CCOC(=O)C(C)(C)C(=O)O 25973 [0,2,0,0,0,0|1,0,1]=4 371 B10R0.36 CCOC(=O)C(Cl)(Cl)C(C)=O D78296 [0,2,0,0,0,0|1,0,1]=4 372 B10R0.100 CCOC(=O)[C@@H](N)C(F)(F)F D95593 [0,2,0,0,0,0|2,0,0]=4 373 B10R0.100 CCOC(=O)[C@@H](O)C(F)(F)F D86103 [0,2,0,0,0,0|2,0,0]=4 374 B10R0.100 CCOC(=O)[C@H](C)S(C)(=O)=O 81174 [0,2,0,0,0,0|1,0,0]=3 375 B10R0.101 CCOC(=O)[C@@H](C#N)C(C)=O I10196 [0,2,0,0,0,0|0,0,2]=4 376 B10R0.101 CCOC(=O)[C@@H](C#N)C(C)C W12765 [0,2,0,0,0,0|0,0,1]=3 377 B10R0.101 CCOC(=O)[C@@H](CC)C(C)=O O11754 [0,2,0,0,0,0|0,0,0]=2 378 B10R0.19 CCCCC(=O)C(=O)OCC 35739 [0,2,0,0,0,0|1,0,1]=4 379 B10R0.19 CCCC[C@H](Br)C(=O)OCC D95689 [0,2,0,0,0,0|1,0,0]=3 380 B10R0.19 CCOC(=O)[C@@H](N)CCCN D76151 [0,2,0,0,0,0|1,0,0]=3 381 B10R0.19 CCOC(=O)[C@@H](N)CCSC 39404 [0,2,0,0,0,0|1,0,0]=3 382 B10R0.19 CCOC(=O)[C@@H](N)CCSC F10970 [0,2,0,0,0,0|1,0,0]=3 383 B10R0.19 CCO\C=C(/C)C(=O)OCC W11446 [0,2,0,0,0,0|0,0,1]=3 384 B10R0.19 CCO\C=C(\C)C(=O)OCC AC2259 [0,2,0,0,0,0|0,0,1]=3 385 B10R0.83 CCCCOC(=O)[C@@H](C)CC D95649 [0,2,0,0,0,0|0,0,0]=2 386 B10R0.33 CCOC(=O)[C@@H](C#N)CC#N 35727 [0,2,0,0,0,0|0,0,2]=4 387 B10R0.129 C=CCC(F)(F)C(=O)OCC AC2284 [0,2,0,0,0,0|1,0,1]=4 388 B10R0.130 CCOC(=O)C(Br)(CC)CC C13923 [0,2,0,0,0,0|0,0,0]=2 389 B10R0.130 CCOC(=O)C(C)(CC)CC D92942 [0,2,0,0,0,0|0,0,0]=2 390 B10R0.32 CCOC(=O)C(=O)CC(C)=O F10311 [0,2,0,0,0,0|1,0,1]=4 391 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C 39402 [0,2,0,0,0,0|1,0,0]=3 392 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C 61990 [0,2,0,0,0,0|1,0,0]=3 393 B10R0.37 CC(C)(C)OC(=O)[C@@H](N)CO F11105 [0,2,0,0,0,0|2,0,0]=4 394 B10R0.37 CCN(N)C(=O)OC(C)(C)C A10033 [0,2,0,0,0,0|2,0,0]=4 395 B10R0.37 CC[C@H](Br)C(=O)OC(C)(C)C D94782 [0,2,0,0,0,0|1,0,0]=3 396 B10R0.37 CC[C@H](N)C(=O)OC(C)(C)C 39396 [0,2,0,0,0,0|1,0,0]=3 397 B10R0.37 CC[C@H](N)C(=O)OC(C)(C)C C10588 [0,2,0,0,0,0|1,0,0]=3 398 B10R0.37 CN[C@@H](C)C(=O)OC(C)(C)C FD21061 [0,2,0,0,0,0|1,0,0]=3 399 B8R1.2 CC[C@H]1CCCCN1 D90478 [1,0,0,1,0,0|2,0,0]=4 400 B8R1.2 CC[C@H]1COCCN1 F13094 [1,0,0,1,0,0|1,0,1]=4 401 B8R1.2 CC[C@H]1COCCN1 F17622 [1,0,0,1,0,0|1,0,1]=4 402 B8R1.2 CC[C@H]1COCCN1 FD6007 [1,0,0,1,0,0|1,0,1]=4 403 B8R1.2 NC[C@H]1CCCOC1 P10450 [1,0,0,1,0,0|1,0,1]=4 404 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [1,0,0,1,0,0|1,0,1]=4 405 B8R1.18 C[C@H]1CC(=O)OC1=O C10641 [1,0,0,1,0,0|1,0,1]=4 406 B8R1.19 CC1(C)CCCC1=O F16056 [1,0,0,1,0,0|1,0,0]=3 407 B8R1.19 CC1(C)CCOC1=O 20702 [1,0,0,1,0,0|0,0,0]=2 408 B8R1.37 CCOC(=N)C1CC1 AC2329 [1,0,0,1,0,0|1,0,0]=3 409 B8R1.37 CCOC(=O)C1CC1 FD10459 [1,0,0,1,0,0|0,0,0]=2 410 B8R1.37 CCOC(=O)[C@@H]1CO1 F30214 [1,0,0,1,0,0|1,0,0]=3 411 B8R1.4 CC1=CC(=O)CCC1 S10448 [1,0,0,1,0,0|1,0,1]=4 412 B8R1.4 CN1CCCC(=O)C1 25967 [1,0,0,1,0,0|2,0,0]=4 413 B8R1.4 CN1CCNC(=O)C1 23552 [1,0,0,1,0,0|2,0,0]=4 414 B8R1.4 CN1CCOC(=O)C1 70849 [1,0,0,1,0,0|1,0,0]=3 415 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [1,0,0,1,0,0|2,0,0]=4 416 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [1,0,0,1,0,0|1,0,0]=3 417 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [1,0,0,1,0,0|1,0,0]=3 418 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [1,0,0,1,0,0|0,0,0]=2 419 B8R1.4 C[C@H]1COCC(=O)N1 88852 [1,0,0,1,0,0|2,0,0]=4 420 B8R1.4 C[C@H]1COCC(=O)N1 88853 [1,0,0,1,0,0|2,0,0]=4 421 B8R1.4 N[C@H]1CCNC(=O)C1 28187 [1,0,0,1,0,0|2,0,0]=4 422 B8R1.4 N[C@H]1CCNC(=O)C1 62308 [1,0,0,1,0,0|2,0,0]=4 423 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [1,0,0,1,0,0|2,0,0]=4 424 B8R1.8 CCCC1=NCCN1 D92082 [1,0,0,1,0,0|2,0,0]=4 425 B8R1.11 CCN1CCCC1=O A10865 [1,0,0,1,0,0|1,0,0]=3 426 B8R1.11 CC[C@H]1CCCC1=O D83898 [1,0,0,1,0,0|1,0,0]=3 427 B8R1.39 CC1(C(=O)NN)CC1 F52102 [1,0,0,1,0,0|2,0,0]=4 428 B8R1.39 COC(=O)C1(Br)CC1 25216 [1,0,0,1,0,0|1,0,0]=3 429 B8R1.39 COC(=O)C1(N)CC1 30390 [1,0,0,1,0,0|1,0,0]=3 430 B8R1.39 COC(=O)C1(N)CC1 83405 [1,0,0,1,0,0|1,0,0]=3 431 B8R1.39 COC(=O)C1(O)CC1 TD8151 [1,0,0,1,0,0|1,0,0]=3 432 B8R1.39 COC(=O)[C@]1(C)CO1 D76861 [1,0,0,1,0,0|1,0,0]=3 433 B10R1.135 CCOC(=O)C1CC1C=O C73848 [0,0,0,1,0,1|1,0,1]=4 434 B10R1.137 CCOC(=O)C=C1CCC1 RB3329 [0,0,0,1,0,1|0,0,1]=3 435 B10R1.137 CCOC(=O)C=C1COC1 CS1632 [0,0,0,1,0,1|1,0,1]=4 436 B10R1.137 CCOC(=O)CC1CCC1 83274 [0,0,0,1,0,1|0,0,0]=2 437 B10R1.34 O=C1O[C@@H](CO)[C@H](O)[C@@H]1O E10111 [0,1,0,1,0,0|2,0,0]=4 438 B10R1.34 O=C1O[C@H](CO)[C@H](O)[C@@H]1O C72911 [0,1,0,1,0,0|2,0,0]=4 439 B10R1.61 CC(=O)[C@@H]1CCCCC1=O 35255 [0,1,0,1,0,0|1,0,1]=4 440 B10R1.61 CC(C)[C@@H]1NCCNC1=O 62860 [0,1,0,1,0,0|2,0,0]=4 441 B10R1.275 CN1CCCC[C@H](N)C1=O 11067 [0,1,0,1,0,0|2,0,0]=4 442 B10R1.291 CC(=O)[C@]1(C)CCOC1=O S12383 [0,1,0,1,0,0|0,0,1]=3 443 B10R1.2 CN1C(=O)CCC[C@@H]1CN P14725 [0,1,0,1,0,0|2,0,0]=4 444 B10R1.4 C=CC[C@H]1CCCCC1=O 51110 [0,1,0,1,0,0|1,0,1]=4 445 B10R1.4 CCC[C@H]1CCCCC1=O D92072 [0,1,0,1,0,0|1,0,0]=3 446 B10R1.4 NCCN1CCCCC1=O D93343 [0,1,0,1,0,0|2,0,0]=4 447 B10R1.63 CC1(C)CCC(=O)OC1=O D89834 [0,1,0,1,0,0|1,0,1]=4 448 B10R1.401 CCOC(=O)C1(Br)CCC1 12534 [0,1,0,1,0,0|0,0,0]=2 449 B10R1.401 CCOC(=O)C1(N)CCC1 55028 [0,1,0,1,0,0|0,0,0]=2 450 B10R1.405 CCOC(=O)C1(C#N)CC1 11063 [0,1,0,1,0,0|0,0,1]=3 451 B10R1.405 CCOC(=O)C1(CN)CC1 29520 [0,1,0,1,0,0|0,0,0]=2 452 B10R1.405 CCOC(=O)C1(CN)CC1 82504 [0,1,0,1,0,0|0,0,0]=2 453 B10R1.191 CC1=C(C)C(C)C(C)C1=O H10784 [0,1,0,1,0,0|1,0,1]=4 454 B10R1.11 CCNC(=O)[C@@H]1CCCN1 73274 [0,1,0,1,0,0|1,0,0]=3 455 B10R1.11 CCOC(=O)C1CC=CC1 H11362 [0,1,0,1,0,0|0,0,1]=3 456 B10R1.11 CCOC(=O)[C@@H]1CCCN1 73266 [0,1,0,1,0,0|0,0,0]=2 457 B10R1.11 CCOC(=O)[C@@H]1CCCN1 F10609 [0,1,0,1,0,0|0,0,0]=2 458 B10R1.11 CCOC(=O)[C@@H]1CCCO1 F19887 [0,1,0,1,0,0|0,0,0]=2 459 B10R1.11 CCOC(=O)[C@@H]1CSCN1 F17226 [0,1,0,1,0,0|1,0,0]=3 460 B10R1.11 CCOC(=O)[C@H]1CCNC1 23797 [0,1,0,1,0,0|0,0,0]=2 461 B10R1.11 CCOC(=O)[C@H]1CCNC1 90547 [0,1,0,1,0,0|0,0,0]=2 462 B10R1.11 CCOC(=O)[C@H]1CCNC1 90548 [0,1,0,1,0,0|0,0,0]=2 463 B10R1.118 CC1OC(=O)C(C)OC1=O D81885 [0,1,0,1,0,0|1,0,1]=4 464 B10R1.118 C[C@@H]1OC(=O)[C@H](C)OC1=O A11343 [0,1,0,1,0,0|1,0,1]=4 465 B10R1.118 C[C@@H]1OC(=O)[C@H](C)OC1=O AC8718 [0,1,0,1,0,0|1,0,1]=4 466 B10R1.118 C[C@H]1C[C@@H](C)C(=O)OC1=O AC1086 [0,1,0,1,0,0|1,0,1]=4 467 B10R1.140 CCOC(=O)C1CC(=O)C1 82567 [0,1,0,1,0,0|0,0,1]=3 468 B10R1.140 CCOC(=O)C1CC(O)C1 CS1377 [0,1,0,1,0,0|0,0,0]=2 469 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 38022 [0,1,0,1,0,0|0,0,0]=2 470 B10R2.179 CC12CCCC(=O)C1O2 63324 [0,0,0,2,0,0|2,0,0]=4 471 B10R2.62 O=C1CN2CCC1CC2 83429 [0,0,0,2,0,0|2,0,0]=4 472 B10R2.62 O=C1CN2CCC1CC2 A10296 [0,0,0,2,0,0|2,0,0]=4 473 B10R2.62 O=C1CN2CCC1CC2 S12072 [0,0,0,2,0,0|2,0,0]=4 474 B10R2.62 O=C1OC2CCC1CC2 D91006 [0,0,0,2,0,0|0,0,0]=2