0 B9R0.19 CCOC(=O)C(C)(C)C#N H31432 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.19 CCOC(=O)C(C)(C)SC B22597 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.3 CCC(=O)C(=O)OCC H66476 [1,0,0,0,0,0|0,0,2]=3 3 B8R0.3 CCC(C(=O)OCC)Br A12729 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.3 CCC(C)C(=O)OCC L06743 [1,0,0,0,0,0|0,0,0]=1 5 B8R0.3 CCC(C)C(=O)\C=C\C B22335 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.3 CCCC(=O)C(CC)Br H32094 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.3 CCCC(C(C)CC)O L09856 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.3 CCCC(C)C(CC)O B20357 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.3 CCOC(=O)C(=C)CBr H65384 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.3 CCOC(=O)C(=O)CBr L00582 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.3 CCOC(=O)C(CBr)Br A15591 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.3 CCOC(=O)[C@H](CO)N A14174 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.3 CCOC(=O)[C@H](CS)N L04692 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.3 CCOC(=O)\C(=C\C)\C A12029 [1,0,0,0,0,0|0,0,2]=3 15 B8R0.3 CC\C=C(/C)\C(CC)O B20658 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.14 CC(C)(C)C(=O)OCCl A11967 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.14 CCCC(=O)C(C)(C)C B20612 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.14 CCOC(=O)C(C)(C)Br B22785 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.14 CCOC(=O)C(C)(C)C A13100 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.14 CCOC(=O)C(C)(C)F H32931 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.14 CCOC(=O)C(C)(C)O B23592 [1,0,0,0,0,0|0,0,0]=1 22 B8R0.14 CCOC(=O)C(C)(F)F H31852 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.14 CCOC(=O)C(F)(Br)Br L16491 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.14 CCOC(=O)C(F)(F)Br B20461 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.14 CCOC(=O)C(F)(F)Cl A14232 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.14 CCOC(=O)C(F)(F)F A11520 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.25 CCCCC(C)(CC)O B20959 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.63 CC1(CCC(=O)OC1=O)C B25303 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.405 CCOC(=O)C1(CC1)CO H62277 [0,0,0,1,0,0|2,0,0]=3 30 B7R0.3 CCCCC(C)CC L12006 [2,0,0,0,0,0|1,0,1]=4 31 B7R0.5 CCCC(=O)N(C)C L05556 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.5 CCOC(=O)C(=C)C A17518 [2,0,0,0,0,0|0,0,2]=4 33 B7R0.5 CCOC(=O)C(=O)C A15045 [2,0,0,0,0,0|0,0,2]=4 34 B7R0.5 CCOC(=O)C(Br)Br B23209 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.5 CCOC(=O)C(C)Br A10820 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.5 CCOC(=O)C(C)C A12966 [2,0,0,0,0,0|0,0,0]=2 37 B7R0.5 CCOC(=O)C(C)Cl L13410 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.5 CCOC(=O)C(C)N L11020 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.5 CCOC(=O)C(C)O A10900 [2,0,0,0,0,0|0,0,0]=2 40 B7R0.5 CCOC(=O)C(C)S L11520 [2,0,0,0,0,0|0,1,0]=3 41 B7R0.5 CCOC(=O)C(F)Br B21579 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.5 CCOC(=O)C(F)Cl A14196 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.5 CCOC(=O)C(F)F A11215 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.5 CCOC(=O)[C@@H](C)N H62791 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.5 CCOC(=O)[C@H](C)N A11271 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.7 CCCC(=O)CCC B21222 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.7 CCCC(=O)OCC L06025 [2,0,0,0,0,0|0,0,0]=2 48 B7R0.7 CCNC(=O)NCC L02079 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.7 CCOC(=O)C#CC B25370 [2,0,0,0,0,0|0,0,2]=4 50 B7R0.7 CCOC(=O)CC#N A11498 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.7 CCOC(=O)CCBr A12402 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.7 CCOC(=O)CCCl B23907 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.7 CCOC(=O)CCN A17277 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.7 CCOC(=O)CC[Zn+] H26739 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.7 CCOC(=O)CNC A13112 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.7 CCOC(=O)CNN H60042 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.7 CCOC(=O)COC A18770 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.7 CCOC(=O)CSC B24285 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.7 CCOC(=O)C[N+]#[C-] L15379 [2,0,0,0,0,0|1,0,1]=4 60 B7R0.7 CCOC(=O)OCC A12477 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.7 CCOC(=O)\C=C\C A12529 [2,0,0,0,0,0|0,0,2]=4 62 B7R0.10 CC(C(=O)OC)OC L13527 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.10 CC(C(=O)OC)SC B21979 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.10 CCC(=O)C(=O)CC L06655 [2,0,0,0,0,0|0,0,2]=4 65 B7R0.10 CCC(C(=O)OC)Br A19468 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.10 CCC(C)C(=O)OC L08103 [2,0,0,0,0,0|0,0,0]=2 67 B7R0.10 CCC(C)C(C)CC H53498 [2,0,0,0,0,0|1,0,1]=4 68 B7R0.10 COC(=O)C(CCl)Cl B21993 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.10 COC(=O)C(CF)Br H31790 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.10 COC(=O)C(CO)Cl H27623 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.10 COC(=O)C(CO)N A13904 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.10 COC(=O)[C@@H](CO)N H63685 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.10 COC(=O)[C@H](CO)N A12355 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.10 C[C@@H](CO)C(=O)OC 44483 [2,0,0,0,0,0|1,0,0]=3 75 B7R0.10 C\C=C(/C)\C(=O)OC A11964 [2,0,0,0,0,0|0,0,2]=4 76 B7R0.11 CCCC(C)(CC)Cl B20277 [2,0,0,0,0,0|1,0,1]=4 77 B7R0.11 CCCC(C)(CC)O L04625 [2,0,0,0,0,0|0,0,1]=3 78 B7R0.13 CC(C)(CO)C(=O)O L12858 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.13 CCC(C(=O)O)(F)F H25830 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.13 CCC(C)(C)C(=O)Cl L18125 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.13 CCC(C)(C)C(=O)O A17072 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.14 CC(C)(C(=O)OC)N H26550 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.14 CC(C)(C)C(=O)CBr A10655 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.14 CC(C)(C)C(=O)CCl A16576 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.14 CC(C)(C)C(=O)NC L08916 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.14 CC(C)(C)C(=O)OC A13764 [2,0,0,0,0,0|1,0,0]=3 87 B9R0.6 CCOC(=O)C(=O)C(C)C H53413 [1,1,0,0,0,0|0,0,2]=4 88 B9R0.6 CCOC(=O)C(C(=O)C)Cl A19810 [1,1,0,0,0,0|1,0,1]=4 89 B9R0.6 CCOC(=O)C(C(C)C)Br B22525 [1,1,0,0,0,0|1,0,0]=3 90 B9R0.6 CCOC(=O)C(C(C)C)N L17906 [1,1,0,0,0,0|1,0,0]=3 91 B9R0.6 CCOC(=O)C(C)C(=O)C A11629 [1,1,0,0,0,0|0,0,1]=3 92 B9R0.6 CCOC(=O)C(C)[N+](=O)[O-] L12261 [1,1,0,0,0,0|2,0,0]=4 93 B9R0.6 CCOC(=O)[C@@H](C(C)C)N H66619 [1,1,0,0,0,0|1,0,0]=3 94 B9R0.6 CCOC(=O)[C@H](C(C)C)N H59466 [1,1,0,0,0,0|1,0,0]=3 95 B9R0.35 CCCC(C(=O)OCC)Br B25530 [1,1,0,0,0,0|1,0,0]=3 96 B9R0.35 CCCC(C)C(=O)OCC A19058 [1,1,0,0,0,0|0,0,0]=2 97 B9R0.35 CCOC(=O)C(=O)OCC A14498 [1,1,0,0,0,0|0,0,2]=4 98 B9R0.35 CCOC(=O)C(C)CC=C A19526 [1,1,0,0,0,0|0,0,1]=3 99 B9R0.35 CCOC(=O)C(C)N=C=O L09367 [1,1,0,0,0,0|1,0,1]=4 100 B9R0.35 CCOC(=O)C(C)N=C=S L12532 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.37 CCC(C#N)C(=O)OCC H65626 [1,1,0,0,0,0|0,0,1]=3 102 B9R0.37 CCC(CC)C(=O)OCC H25788 [1,1,0,0,0,0|0,0,0]=2 103 B9R0.28 CC(=O)C(C)(C)C(=O)OC L10917 [1,1,0,0,0,0|1,0,1]=4 104 B9R0.20 CCCCCC(C)(CC)O A19907 [1,1,0,0,0,0|1,0,1]=4 105 B9R0.22 CCC(C)CC(C)(CC)O B20896 [1,1,0,0,0,0|1,0,1]=4 106 B9R0.51 CCCCC(C)(C(C)C)O B20480 [1,1,0,0,0,0|1,0,1]=4 107 B9R0.64 CCC(C)(CCC(C)C)O B20285 [1,1,0,0,0,0|1,0,1]=4 108 B9R0.66 CCCCC(C)(CCC)O B20465 [1,1,0,0,0,0|1,0,1]=4 109 B11R0.252 CCC(CC)(CC)C(=O)OCC L19972 [0,2,0,0,0,0|1,0,0]=3 110 B9R1.5 CN1CCCCCC1=O A17776 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.15 CCC1CCCCC1=O B20748 [1,0,0,1,0,0|1,0,0]=3 112 B9R1.148 CC1(CCCCCC1)O B20393 [1,0,0,1,0,0|1,0,1]=4 113 B11R1.831 CCOC(=O)C1(CCC1)CO H62566 [0,1,0,1,0,0|0,0,0]=2 114 B9R0.34 CCC(=O)CC(=O)OCC A15464 [1,0,0,0,0,1|0,0,2]=4 115 B9R0.34 CCC(C)CC(=O)OCC A18868 [1,0,0,0,0,1|0,0,0]=2 116 B9R0.34 CCOC(=O)C[C@@H](CCl)O L18554 [1,0,0,0,0,1|1,0,0]=3 117 B9R0.34 CCOC(=O)C[C@H](CCl)O L18553 [1,0,0,0,0,1|1,0,0]=3 118 B9R0.44 CCNC(=O)OC(C)(C)C H32575 [1,0,0,0,0,1|2,0,0]=4 119 B9R0.44 CCOC(=O)CC(C)(C)C L05603 [1,0,0,0,0,1|1,0,0]=3 120 B9R0.44 CCOC(=O)C[Si](C)(C)C A17707 [1,0,0,0,0,1|1,1,0]=4