0 B10R0.2 CCN\C(C)=C\C(=O)OCC 12808 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.2 CCOC(=O)CC(=O)OCC 23745 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.5 CCCCCC(=O)OCC 15737 [1,0,0,0,0,0|1,0,1]=3 3 B9R0.5 CCOC(=O)CCCCBr 3955 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.5 CCOC(=O)CCCCN 31885 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.5 CCO\C=C\C(=O)OCC 12909 [1,0,0,0,0,0|0,0,1]=2 6 B9R0.5 CCO\C=C\C(=O)OCC 27595 [1,0,0,0,0,0|0,0,1]=2 7 B9R0.34 CCOC(=O)CC(=O)NN 26207 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.34 CCOC(=O)C[C@@H](O)CCl 5919 [1,0,0,0,0,0|1,0,2]=4 9 B9R0.34 CCOC(=O)C[C@H](O)CC 15561 [1,0,0,0,0,0|0,0,2]=3 10 B9R0.34 CCOC(=O)C[C@H](O)CCl 5783 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.34 CCOC(=O)C[C@H](O)CI 31814 [1,0,0,0,0,0|1,0,2]=4 12 B9R0.34 CCOC(=O)\C=C(/C)NC 12807 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.34 COCC(=O)CC(=O)OC 10473 [1,0,0,0,0,0|2,0,0]=3 14 B11R0.177 CCOC(=O)C(=O)C(=O)OCC 35431 [0,1,0,0,0,0|0,0,1]=2 15 B11R0.177 CCOC(=O)C(Br)C(=O)OCC 23723 [0,1,0,0,0,0|0,0,0]=1 16 B11R0.177 CCOC(=O)C(F)C(=O)OCC 13699 [0,1,0,0,0,0|0,0,0]=1 17 B11R0.177 CCOC(=O)C(N)C(=O)OCC 23977 [0,1,0,0,0,0|0,0,0]=1 18 B11R1.30 CCOC(=O)CC1=CC=CO1 17309 [0,0,0,1,0,0|1,0,2]=4 19 B11R1.30 CCOC(=O)CC1CCCO1 15629 [0,0,0,1,0,0|1,0,1]=3 20 B11R1.199 CCOC(=O)C1CCCC1=O 14157 [0,0,0,1,0,0|1,0,0]=2 21 B11R1.199 CCOC(=O)C1COCC1=O 35513 [0,0,0,1,0,0|2,0,0]=3 22 B9R0.35 CCC[C@@H](N)C(=O)OCC 34971 [0,0,0,0,1,0|2,0,1]=4 23 B9R0.35 CCC[C@H](N)C(=O)OCC 34972 [0,0,0,0,1,0|2,0,1]=4 24 B9R0.35 CCOC(=N)C(=O)OCC 35840 [0,0,0,0,1,0|1,0,0]=2 25 B11R0.62 CCOC(=O)C#CC(=O)OCC 19870 [0,0,0,0,0,1|0,0,1]=2 26 B8R0.1 CCOC(=O)CCCBr 3949 [2,0,0,0,0,0|1,0,1]=4 27 B8R0.1 CCOC(=O)CCCI 35852 [2,0,0,0,0,0|1,0,1]=4 28 B8R0.1 CCOC(=O)\C=C\CBr 35147 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.6 CCCSCC(=O)OC 28955 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.5 CCOC(=O)CC(=O)Cl 18139 [2,0,0,0,0,0|1,0,0]=3 31 B8R0.5 CCOC(=O)CC(C)=O 14160 [2,0,0,0,0,0|0,0,0]=2 32 B8R0.5 CCOC(=O)CC(N)=O 33632 [2,0,0,0,0,0|1,0,0]=3 33 B8R0.5 CCOC(=O)C[C@@H](C)O 13859 [2,0,0,0,0,0|0,0,2]=4 34 B8R0.5 CCOC(=O)C[C@H](C)O 13963 [2,0,0,0,0,0|0,0,2]=4 35 B8R0.5 CCOC(=O)C[C@H](C)O 15560 [2,0,0,0,0,0|0,0,2]=4 36 B8R0.5 CCOC(=O)C[N+](=O)[O-] 13723 [2,0,0,0,0,0|1,0,1]=4 37 B8R0.5 CCOC(=O)\C=C(/C)N 12589 [2,0,0,0,0,0|1,0,1]=4 38 B8R0.5 CCOC(=O)\C=C(\C)N 12804 [2,0,0,0,0,0|1,0,1]=4 39 B8R0.19 CCC(=O)CC(=O)CC 21961 [2,0,0,0,0,0|0,0,0]=2 40 B8R0.19 CCC(=O)CC(=O)OC 18684 [2,0,0,0,0,0|0,0,0]=2 41 B8R0.19 CC[C@@H](N)CC(=O)OC 23281 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.19 CC[C@H](O)CC(=O)OC 21119 [2,0,0,0,0,0|0,0,2]=4 43 B8R0.19 COC(=O)CC(=O)CCl 11042 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.19 COC(=O)OC(=O)OC 13758 [2,0,0,0,0,0|1,0,0]=3 45 B10R0.1 CCOC(=O)CCCCCBr 3953 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.19 CCO\C=C(/C)C(=O)OCC 27412 [1,1,0,0,0,0|0,0,1]=3 47 B10R0.26 CCOC(=O)CC(=O)C(F)F 21933 [1,1,0,0,0,0|1,0,0]=3 48 B10R0.26 CCOC(=O)C[C@H](O)C(C)C 15562 [1,1,0,0,0,0|0,0,2]=4 49 B10R0.34 CCOC(=O)\C=C(\CBr)OC 15228 [1,1,0,0,0,0|1,0,1]=4 50 B10R0.32 CCOC(=O)C(=O)CC(C)=O 35292 [0,1,0,0,1,0|1,0,1]=4 51 B12R0.69 CCCC(=O)CC(=O)C(=O)OCC 34266 [0,1,0,0,0,1|1,0,0]=3 52 B12R0.69 CCOC(=O)C[C@H](N)C(=O)OCC 25011 [0,1,0,0,0,1|0,0,0]=2 53 B12R0.3 CC(C)OC(=O)CC(=O)OC(C)C 36011 [0,2,0,0,0,0|0,0,0]=2 54 B12R0.78 CCOC(=O)CC(=O)OC(C)(C)C 29213 [0,2,0,0,0,0|0,0,0]=2 55 B12R0.731 CCOC(=O)C(C)(C)C(=O)OCC 16321 [0,2,0,0,0,0|0,0,0]=2 56 B12R0.731 CCOC(=O)C(F)(F)C(=O)OCC 27257 [0,2,0,0,0,0|0,0,0]=2 57 B12R0.22 CCOC(=O)C=C(OCC)OCC 11066 [0,2,0,0,0,0|0,0,2]=4 58 B12R0.22 CCOC(=O)CC(OCC)OCC 18874 [0,2,0,0,0,0|0,0,2]=4 59 B10R1.11 CCOC(=O)C1CCCN1 15638 [1,0,0,1,0,0|2,0,0]=4 60 B10R1.11 CCOC(=O)C1CCCO1 7091 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.11 CCOC(=O)C1CCNC1 14291 [1,0,0,1,0,0|1,0,1]=4 62 B10R1.11 CCOC(=O)C1CCNC1 18711 [1,0,0,1,0,0|1,0,1]=4 63 B10R1.11 CCOC(=O)C1CCNC1 20614 [1,0,0,1,0,0|1,0,1]=4 64 B10R1.11 CCOC(=O)[C@H]1CCCN1 45085 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.149 COC(=O)C1CSCC1=O 15771 [1,0,0,1,0,0|2,0,0]=4 66 B10R1.2 CCN1CCNC(=O)C1=O 8572 [0,0,0,1,1,0|2,0,0]=4 67 B10R1.4 CCOC1=CCCCC1=O 17651 [0,0,0,1,1,0|2,0,0]=4 68 B12R1.318 CCOC(=O)CC1CCCC1=O 23864 [0,0,0,1,0,1|1,0,0]=3 69 B12R1.32 CCOC(=O)CC1COCCN1 17653 [0,1,0,1,0,0|1,0,1]=4 70 B12R1.308 CCOC(=O)C1CCCNC1=O 20008 [0,1,0,1,0,0|1,0,0]=3 71 B12R1.308 CCOC(=O)C1CCNCC1=O 36023 [0,1,0,1,0,0|1,0,0]=3 72 B12R1.308 CCOC(=O)C1CNCCC1=O 30418 [0,1,0,1,0,0|1,0,0]=3 73 B12R1.519 CCOC(=O)CC(=O)C1CCC1 27802 [0,1,0,1,0,0|1,0,0]=3 74 B12R1.1618 CCOC(=O)CC1(C)OCCO1 15736 [0,1,0,1,0,0|0,0,2]=4 75 B8R0.3 C=C(CO)C(=O)OCC 32236 [1,0,0,0,1,0|2,0,0]=4 76 B8R0.3 CCOC(=O)C(=O)CBr 17198 [1,0,0,0,1,0|1,0,0]=3 77 B8R0.3 CCOC(=O)C(=O)CC 24313 [1,0,0,0,1,0|0,0,0]=2 78 B12R0.285 CCOC(=O)CNCC(=O)OCC 12454 [0,0,0,0,0,2|0,0,0]=2 79 B12R0.285 CCOC(=O)CSCC(=O)OCC 13927 [0,0,0,0,0,2|0,0,0]=2