0 B6R0.3 CC(C)C(=O)CBr 35792 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 CCC(=O)C(=O)O 24837 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 CCC(=O)C(=O)[O-] 17406 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 CN(C)C(=O)CBr 35884 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 CN(C)C(=O)CCl 35615 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CN(C)C(=O)CN 22320 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 COC(=O)C(C)=O 35415 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.3 COC(=O)C(C)N 10905 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.3 COC(=O)C(F)F 29091 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 COC(=O)[C@@H](C)N 10885 [0,0,0,0,0,0|1,0,1]=2 10 B6R0.3 COC(=O)[C@@H](C)O 6056 [0,0,0,0,0,0|1,0,1]=2 11 B6R0.3 COC(=O)[C@H](C)Cl 6064 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.3 COC(=O)[C@H](C)N 10884 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.3 COC(=O)[C@H](C)O 12893 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.3 CON(C)C(C)=O 12775 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.3 C\C=C(/C)C(=O)O 30426 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 CC(=O)\C=N\O 13359 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CC(=O)\C=N\O 31878 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CC(C)=CC=O 3075 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(C)=CCBr 35170 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CCOC(C)=N 2020 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 CCSC(C)=S 12459 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 COCC(C)O 1904 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 COC[C@@H](C)O 6714 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 COC[C@H](C)O 6715 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.3 C#CC(=O)OC 13736 [1,0,0,0,0,0|0,0,2]=3 26 B5R0.3 C=CC(=O)CBr 13741 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.3 C=CC(=O)CO 32353 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.3 COC(=O)CN 10899 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.3 COC(=O)CS 10788 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.3 COC(=O)NN 17404 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.5 C=C(C)B(O)O 29476 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.5 C=C(C)C(=C)C 36156 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.5 C=C(C)C(=O)Cl 45061 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.5 C=C(C)C(=O)[O-] 13118 [1,0,0,0,0,0|0,0,1]=2 35 B5R0.5 C=C(C)C(=O)[O-] 13119 [1,0,0,0,0,0|0,0,1]=2 36 B5R0.5 C=C(C)C(=O)[O-] 21062 [1,0,0,0,0,0|0,0,1]=2 37 B5R0.5 C=C(C)C(=O)[O-] 21065 [1,0,0,0,0,0|0,0,1]=2 38 B5R0.5 CC(=O)C(=O)O 18177 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.5 CC(=O)C(C)Br 12679 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.5 CC(Br)C(=O)Cl 35707 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.5 CC(C)C(=O)Cl 18648 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.5 CC(C)C(N)=O 21345 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.5 CC(Cl)C(=O)O 5746 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.5 CC(F)C(=O)O 13698 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.5 CC(N)C(=O)O 11009 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.5 CC(O)C(=O)O 30331 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.5 CC(O)C(=O)[O-] 20459 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.5 CN(C)C(=O)Cl 29326 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.5 C[C@@H](Br)C(=O)O 26125 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.5 C[C@@H](Cl)C(=O)O 5747 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.5 C[C@@H](N)C(=O)O 11002 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.5 C[C@@H](N)C(N)=O 12667 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.5 C[C@@H](O)C(=O)O 16738 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.5 C[C@H](Br)C(=O)O 8278 [1,0,0,0,0,0|1,0,1]=3 55 B5R0.5 C[C@H](N)C(=O)O 12862 [1,0,0,0,0,0|1,0,1]=3 56 B5R0.5 C[C@H](N)C(N)=O 5715 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.5 C[C@H](O)C(=O)O 26021 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.5 NC(=O)C(N)=O 17273 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.5 O=C(O)C(=O)O 17416 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.5 O=C(O)C(=O)O 22393 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.5 O=C(O)C(F)F 12637 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.5 [*]C(=O)[C@H](C)N 24898 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.5 CCOC(=O)C(C)F 13697 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.5 CCOC(=O)C(C)N 10928 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.5 CCOC(=O)C(F)F 29087 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.5 CCOC(=O)[C@@H](C)O 15558 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.5 CCOC(=O)[C@H](C)N 12964 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.5 CCOC(=O)[C@H](C)O 26157 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.5 CCOC(=S)C(N)=O 24587 [0,1,0,0,0,0|2,1,0]=4 70 B7R0.10 C=C(CBr)C(=O)OC 17371 [0,1,0,0,0,0|0,0,0]=1 71 B7R0.10 C=C(CCl)C(=O)OC 17372 [0,1,0,0,0,0|0,0,0]=1 72 B7R0.10 C=C(CO)C(=O)OC 17373 [0,1,0,0,0,0|0,0,0]=1 73 B7R0.10 CCC(Br)C(=O)OC 20191 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.10 CC[C@@H](N)C(=O)OC 31750 [0,1,0,0,0,0|1,0,1]=3 75 B7R0.10 COC(=O)C(Cl)CCl 24797 [0,1,0,0,0,0|1,0,1]=3 76 B7R0.10 COC(=O)C(N)CO 10908 [0,1,0,0,0,0|1,0,1]=3 77 B7R0.10 COC(=O)C(O)OC 17980 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.10 COC(=O)[C@@H](N)CO 10895 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.10 COC(=O)[C@@H](N)CS 10881 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.10 COC(=O)[C@H](N)CO 10896 [0,1,0,0,0,0|1,0,1]=3 81 B7R0.10 CON(C)C(=O)CCl 18657 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.14 COC(=O)C(C)(C)F 28958 [0,1,0,0,0,0|0,0,2]=3 83 B7R0.14 COC(=O)C(C)(C)N 16472 [0,1,0,0,0,0|0,0,2]=3 84 B7R0.14 COC(=O)C(C)(C)O 18589 [0,1,0,0,0,0|0,0,2]=3 85 B7R0.14 COC(=O)C(F)(F)F 12490 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.15 COC(OC)C(C)=O 9977 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.16 CC(=O)C(=O)C(C)Br 32080 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.16 CN(C)C(=O)C(=O)O 12917 [0,1,0,0,0,0|3,0,0]=4 89 B7R1.4 BrC1=C(Br)CCC1 13714 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.4 CC1=C(Br)SC=C1 5191 [0,0,0,1,0,0|1,1,1]=4 91 B7R1.4 CC1=C(C)SC=C1 7751 [0,0,0,1,0,0|1,1,1]=4 92 B7R1.4 CC1=C(Cl)SC=C1 5164 [0,0,0,1,0,0|1,1,1]=4 93 B7R1.4 CC1=C(N)ON=C1 19884 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.4 CC1=C(S)C=CO1 7060 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.4 CC1=C(S)C=CO1 9968 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.4 CC1=CNN=C1C 36259 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.4 CC1=COC=C1C 15014 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.4 CC1=CSC=C1Br 21832 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.4 CC1CCNC1=O 18075 [0,0,0,1,0,0|1,0,2]=4 100 B7R1.4 CC1OCCC1=O 7120 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.4 CN1CCCC1=O 17618 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.4 NC1CCOC1=O 6982 [0,0,0,1,0,0|1,0,1]=3 103 B7R1.4 NC1CCSC1=O 26584 [0,0,0,1,0,0|1,1,1]=4 104 B7R1.4 NN1CCCC1=O 26204 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.4 N[C@@H]1CCNC1=O 24096 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.4 N[C@@H]1CCOC1=O 14743 [0,0,0,1,0,0|1,0,1]=3 107 B7R1.4 N[C@H]1CCOC1=O 13830 [0,0,0,1,0,0|1,0,1]=3 108 B7R1.4 O=C1NCC[C@@H]1O 26213 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.4 O=C1OCCC1Br 10714 [0,0,0,1,0,0|1,0,1]=3 110 B7R1.4 OC1=C(O)OC=C1 22257 [0,0,0,1,0,0|1,0,2]=4 111 B7R1.22 COC(=O)C1CC1 11835 [0,0,0,1,0,0|0,0,2]=3 112 B7R1.22 COC(=O)C1CO1 35239 [0,0,0,1,0,0|1,0,1]=3 113 B7R1.22 COC(=O)[C@H]1CO1 36331 [0,0,0,1,0,0|1,0,1]=3 114 B7R0.2 CCC(=O)CC(C)=O 24813 [0,0,0,0,0,1|2,0,0]=3 115 B7R0.2 CN\C(C)=C\C(C)=O 12814 [0,0,0,0,0,1|3,0,0]=4 116 B7R0.2 COC(=O)C=C(C)C 35911 [0,0,0,0,0,1|0,0,1]=2 117 B7R0.2 COC(=O)CC(C)=O 24182 [0,0,0,0,0,1|1,0,0]=2 118 B7R0.2 COC(=O)CC(N)=S 16742 [0,0,0,0,0,1|2,0,0]=3 119 B7R0.2 COC(=O)C[C@@H](C)O 13967 [0,0,0,0,0,1|1,0,1]=3 120 B7R0.2 COC(=O)C[C@H](C)O 13965 [0,0,0,0,0,1|1,0,1]=3 121 B7R0.2 COC(=O)NC(N)=O 12458 [0,0,0,0,0,1|2,0,0]=3 122 B7R0.2 COC(=O)\C=C(/C)N 15699 [0,0,0,0,0,1|1,0,0]=2 123 B4R0.1 C#CC(=O)O 23201 [2,0,0,0,0,0|0,0,2]=4 124 B4R0.1 C#CC(C)=O 2024 [2,0,0,0,0,0|0,0,2]=4 125 B4R0.1 C=C(C)CCl 20429 [2,0,0,0,0,0|1,0,1]=4 126 B4R0.1 C=CC(=O)O 21090 [2,0,0,0,0,0|0,0,0]=2 127 B4R0.1 C=CC(N)=O 14147 [2,0,0,0,0,0|1,0,0]=3 128 B4R0.1 C=C[N+](=O)[O-] 14436 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 CC(=O)CBr 24199 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.1 CC(C)=CBr 29713 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.1 CC=C(C)C 2026 [2,0,0,0,0,0|0,0,1]=3 132 B4R0.1 CCC([NH-])=O 10938 [2,0,0,0,0,0|1,0,1]=4 133 B4R0.1 CN(C)C=O 23341 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.1 COC(C)=N 2122 [2,0,0,0,0,0|1,0,0]=3 135 B4R0.1 C\C(N)=N\O 31948 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 C\C=C(/C)Br 29073 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.1 NCC(=O)O 18924 [2,0,0,0,0,0|1,0,1]=4 138 B4R0.1 O=C(O)CBr 13144 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.1 O=CC(=O)O 19965 [2,0,0,0,0,0|1,0,0]=3 140 B4R0.2 C=COCC 18645 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.2 C\C=C\CC 19602 [2,0,0,0,0,0|1,0,0]=3 142 B4R0.2 C\C=C\CO 21075 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.1 CC\C=C(/C)C=O 36081 [1,1,0,0,0,0|1,0,0]=3 144 B6R0.2 CC(=O)\C=C(/C)N 12810 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.4 C=C(C)CNCC 10272 [1,1,0,0,0,0|1,0,1]=4 146 B6R0.4 CC\C=C\C(C)=O 32068 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.4 CO\C=C\C(C)=O 28206 [1,1,0,0,0,0|1,0,0]=3 148 B6R0.8 C=CS(=O)(=O)NC 11258 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.8 COP(=O)(Cl)OC 19321 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.9 C=CC(OC)OC 23316 [1,1,0,0,0,0|0,0,2]=4 151 B6R0.7 CC(=O)C(C)(C)O 20018 [1,1,0,0,0,0|0,0,2]=4 152 B6R0.7 CC(C)(C)C(=O)O 16826 [1,1,0,0,0,0|0,0,2]=4 153 B6R0.7 CC(C)(N)C(=O)O 16474 [1,1,0,0,0,0|0,0,2]=4 154 B6R0.7 CC(F)(F)C(=O)O 35923 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.2 COC(=O)C(N)C(C)=O 24594 [0,1,0,0,0,1|1,0,0]=3 156 B8R0.2 COC(=O)[C@@H](N)C(C)C 10897 [0,1,0,0,0,1|0,0,2]=4 157 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 19049 [0,1,0,0,0,1|1,0,1]=4 158 B8R0.2 COC(=O)[C@H](N)C(C)C 10898 [0,1,0,0,0,1|0,0,2]=4 159 B8R0.5 CC(C)OC(=O)OCCl 28997 [0,1,0,0,0,1|0,0,2]=4 160 B8R0.5 CCOC(=O)CC(=O)Cl 18139 [0,1,0,0,0,1|2,0,0]=4 161 B8R0.5 CCOC(=O)CC(C)=O 14160 [0,1,0,0,0,1|1,0,0]=3 162 B8R0.5 CCOC(=O)CC(N)=O 33632 [0,1,0,0,0,1|2,0,0]=4 163 B8R0.5 CCOC(=O)C[C@@H](C)O 13859 [0,1,0,0,0,1|1,0,1]=4 164 B8R0.5 CCOC(=O)C[C@H](C)O 13963 [0,1,0,0,0,1|1,0,1]=4 165 B8R0.5 CCOC(=O)C[C@H](C)O 15560 [0,1,0,0,0,1|1,0,1]=4 166 B8R0.5 CCOC(=O)\C=C(/C)N 12589 [0,1,0,0,0,1|1,0,0]=3 167 B8R0.5 CCOC(=O)\C=C(\C)N 12804 [0,1,0,0,0,1|1,0,0]=3 168 B8R0.16 CO\C(C=O)=C/N(C)C 22794 [0,1,0,0,0,1|1,0,1]=4 169 B8R0.19 CCC(=O)CC(=O)CC 21961 [0,1,0,0,0,1|2,0,0]=4 170 B8R0.19 CCC(=O)CC(=O)OC 18684 [0,1,0,0,0,1|1,0,0]=3 171 B8R0.19 CC[C@@H](N)CC(=O)OC 23281 [0,1,0,0,0,1|1,0,1]=4 172 B8R0.19 CC[C@H](O)CC(=O)OC 21119 [0,1,0,0,0,1|1,0,1]=4 173 B8R0.19 COC(=O)CC(=O)CCl 11042 [0,1,0,0,0,1|1,0,0]=3 174 B8R0.19 COC(=O)CC(O)CCl 21114 [0,1,0,0,0,1|1,0,1]=4 175 B8R0.19 COC(=O)C[C@H](O)CBr 15563 [0,1,0,0,0,1|1,0,1]=4 176 B8R0.19 COC(=O)OC(=O)OC 13758 [0,1,0,0,0,1|1,0,0]=3 177 B8R0.3 C=C(CO)C(=O)OCC 32236 [0,2,0,0,0,0|0,0,0]=2 178 B8R0.3 C=CC[C@@H](N)C(=O)OC 30168 [0,2,0,0,0,0|1,0,1]=4 179 B8R0.3 CCC[C@H](N)C(=O)OC 10951 [0,2,0,0,0,0|1,0,1]=4 180 B8R0.3 CCOC(=O)C(=O)CBr 17198 [0,2,0,0,0,0|1,0,0]=3 181 B8R0.3 CCOC(=O)C(=O)CC 24313 [0,2,0,0,0,0|1,0,0]=3 182 B8R0.3 CCOC(=O)[C@@H](N)CO 19044 [0,2,0,0,0,0|1,0,1]=4 183 B8R0.3 CCOC(=O)[C@@H](N)CS 10909 [0,2,0,0,0,0|1,0,1]=4 184 B8R0.8 C=C(C)C(=O)OCCCl 35876 [0,2,0,0,0,0|0,0,0]=2 185 B8R0.8 C=C(C)C(=O)OCCO 35748 [0,2,0,0,0,0|0,0,0]=2 186 B8R0.14 CCOC(=O)C(C)(C)N 16478 [0,2,0,0,0,0|0,0,2]=4 187 B8R0.14 CCOC(=O)C(C)(F)F 35783 [0,2,0,0,0,0|1,0,1]=4 188 B8R0.13 C#CC(C)(C)C(=O)OC 34960 [0,2,0,0,0,0|0,0,2]=4 189 B8R0.13 C#CC(C)(C)C(=O)OC 34960 [0,2,0,0,0,0|0,0,2]=4 190 B8R0.13 CC[C@](C)(N)C(=O)OC 30388 [0,2,0,0,0,0|0,0,2]=4 191 B8R0.13 COC(=O)C(C)(C)CI 18310 [0,2,0,0,0,0|0,0,2]=4 192 B6R1.2 BrC1=CCCC1 29715 [1,0,0,1,0,0|2,0,0]=4 193 B6R1.2 BrC1=COC=C1 8830 [1,0,0,1,0,0|1,0,1]=4 194 B6R1.2 CC1=CNC=C1 13921 [1,0,0,1,0,0|1,0,1]=4 195 B6R1.2 CC1=CNN=C1 13055 [1,0,0,1,0,0|2,0,0]=4 196 B6R1.2 CC1=COC=C1 19993 [1,0,0,1,0,0|0,0,1]=3 197 B6R1.2 CC1=COC=N1 23604 [1,0,0,1,0,0|1,0,1]=4 198 B6R1.2 CC1=CON=C1 24245 [1,0,0,1,0,0|1,0,0]=3 199 B6R1.2 CC1=CSC=C1 5565 [1,0,0,1,0,0|0,1,1]=4 200 B6R1.2 NC1=CON=C1 22316 [1,0,0,1,0,0|2,0,0]=4 201 B6R1.2 O=C1C=CCC1 9803 [1,0,0,1,0,0|2,0,0]=4 202 B6R1.2 O=C1CCOC1 15127 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.1 CCC1=NC(C)=CN1 15974 [0,0,0,1,0,1|2,0,0]=4 204 B8R1.1 CCC1=NC(C)=CS1 9939 [0,0,0,1,0,1|1,1,0]=4 205 B8R1.1 COC1=CC=C(O)O1 22256 [0,0,0,1,0,1|2,0,0]=4 206 B8R1.4 CC1=CC(=O)NN=C1 11016 [0,0,0,1,0,1|2,0,0]=4 207 B8R1.4 NC1=CC(=O)CCC1 14449 [0,0,0,1,0,1|2,0,0]=4 208 B8R1.4 O=C1CCCC(=O)C1 11104 [0,0,0,1,0,1|2,0,0]=4 209 B8R1.4 O=C1CCCC(=O)O1 36227 [0,0,0,1,0,1|2,0,0]=4 210 B8R1.4 O=C1CCNC(=O)C1 22543 [0,0,0,1,0,1|2,0,0]=4 211 B8R1.4 O=C1CCNC(=O)N1 35825 [0,0,0,1,0,1|2,0,0]=4 212 B8R1.18 CC1=CC(=O)OC1=O 35240 [0,0,0,1,0,1|2,0,0]=4 213 B8R1.18 CC1=NN(C)C(=O)C1 8412 [0,0,0,1,0,1|2,0,0]=4 214 B8R1.5 O=C1CCCCC1=O 13287 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.37 CCOC(=O)C1CC1 11840 [0,1,0,1,0,0|0,0,2]=4 216 B8R1.54 CC(=O)C(=O)C1CC1 14769 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.11 CC1=C(C=O)SC=C1 5183 [0,1,0,1,0,0|0,1,1]=4 218 B8R1.11 CC1=C(C=O)SC=C1 9495 [0,1,0,1,0,0|0,1,1]=4 219 B8R1.11 O=CC1=C(Br)C=CO1 7803 [0,1,0,1,0,0|1,0,1]=4 220 B8R1.38 COC(=O)C1CCC1 23839 [0,1,0,1,0,0|0,0,2]=4 221 B8R1.38 COC(=O)C1CCN1 23978 [0,1,0,1,0,0|0,0,2]=4 222 B8R1.38 COC(=O)C1CNC1 18800 [0,1,0,1,0,0|0,0,2]=4 223 B8R1.38 COC(=O)C1CNC1 23516 [0,1,0,1,0,0|0,0,2]=4 224 B8R1.39 COC(=O)C1(Br)CC1 44770 [0,1,0,1,0,0|0,0,2]=4 225 B8R1.39 COC(=O)C1(C)CC1 23210 [0,1,0,1,0,0|0,0,2]=4 226 B8R1.50 CC1=C(C)C(N)=NO1 4041 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.50 CC1=C(O)C(=O)CO1 7034 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.50 CC1=NOC(N)=C1C 8660 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.50 CC1C(=O)CCC1=O 2206 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.50 NC1=C(O)COC1=O 35510 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.50 O=C1OC[C@@H](O)[C@H]1O 5782 [0,1,0,1,0,0|1,0,1]=4 232 B8R0.9 COC(=O)CCC(=O)Cl 13239 [0,0,0,0,0,2|2,0,0]=4