0 B8R0.16 COC(CC(C)=O)OC 13759 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.16 COC(CN(C)C)OC 31988 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.2 C=CC(C)CC(=O)O 21406 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.2 CCC(=O)CC(C)=O 24813 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.2 CCC(C)CC(=O)O 11272 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.2 CCC(N)CC(=O)O 13448 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.2 CC[C@@H](C)CC(=O)O 11275 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.2 CC[C@H](C)CC(=O)O 11273 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.2 CN\C(C)=C\C(C)=O 12814 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.2 COC(=O)CC(C)=O 24182 [1,0,0,0,0,0|0,0,2]=3 10 B7R0.2 NC[C@@H](O)CC(=O)O 5723 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.2 NC[C@H](O)CC(=O)O 5722 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.12 C=CC[SiH](OC)OC 35690 [1,0,0,0,0,0|0,1,1]=3 13 B7R0.12 CNCC(OC)OC 23368 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.12 COCC(OC)OC 12773 [1,0,0,0,0,0|1,0,0]=2 15 B9R0.26 COC(=O)CC(OC)OC 20228 [0,1,0,0,0,0|0,0,0]=1 16 B9R0.52 COC(CC(F)(F)F)OC 44760 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.13 O=C(O)CC1CCCO1 15380 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.13 O=C(O)C[C@@H]1CCCN1 15697 [0,0,0,1,0,0|3,0,0]=4 19 B7R0.15 COC(OC)C(C)=O 9977 [0,0,0,0,1,0|0,0,0]=1 20 B7R0.15 COC(OC)N(C)C 10940 [0,0,0,0,1,0|2,0,0]=3 21 B6R0.1 COC(C)CCO 35942 [2,0,0,0,0,0|0,0,2]=4 22 B6R0.2 CC(O)CC(=O)O 13860 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.2 CN(C)CC(=O)O 21520 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.2 C[C@@H](N)CC(=O)O 30087 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.2 C[C@@H](O)C[C@@H](C)O 6726 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.2 C[C@H](N)CC(=O)O 13856 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.2 C[C@H](O)C[C@H](C)O 6728 [2,0,0,0,0,0|0,0,2]=4 28 B6R0.4 CC(=O)CCCCl 17207 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 CCCCC(=O)Cl 21358 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 CCCCC(=O)[O-] 27064 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.4 CO\C=C\C(C)=O 28206 [2,0,0,0,0,0|0,0,2]=4 32 B6R0.9 C=CC(OC)OC 23316 [2,0,0,0,0,0|0,0,1]=3 33 B6R0.9 COC(CBr)OC 31980 [2,0,0,0,0,0|1,0,0]=3 34 B6R0.9 COC(CCl)OC 31982 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.9 COC(CN)OC 31983 [2,0,0,0,0,0|1,0,0]=3 36 B6R0.9 COC(CO)OC 35929 [2,0,0,0,0,0|0,0,1]=3 37 B8R0.2 CCC(C)C(N)C(=O)O 12389 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 17263 [1,1,0,0,0,0|2,0,0]=4 39 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 15615 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 12311 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O 21625 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O 34990 [1,1,0,0,0,0|2,0,0]=4 43 B8R0.2 COC(=O)C(N)C(C)=O 24594 [1,1,0,0,0,0|0,0,2]=4 44 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O 35398 [1,1,0,0,0,0|1,0,0]=3 45 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O 20963 [1,1,0,0,0,0|1,0,0]=3 46 B8R0.5 CCOC(=O)CC(C)=O 14160 [1,1,0,0,0,0|0,0,2]=4 47 B8R0.5 COCC(C)OC(C)=O 4049 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.19 CCC(=O)CC(=O)OC 18684 [1,1,0,0,0,0|0,0,2]=4 49 B8R0.19 CC[C@@H](N)CC(=O)OC 23281 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.19 CC[C@H](O)CC(=O)OC 21119 [1,1,0,0,0,0|1,0,0]=3 51 B8R0.19 COC(=O)CC(=O)CCl 11042 [1,1,0,0,0,0|0,0,2]=4 52 B8R0.19 COC(=O)CC(O)CCl 21114 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.19 COC(=O)C[C@H](O)CBr 15563 [1,1,0,0,0,0|2,0,0]=4 54 B8R0.36 COC(C)(OC)N(C)C 31989 [0,1,0,0,1,0|2,0,0]=4 55 B10R0.79 CCOC(CN(C)C)OCC 31990 [0,2,0,0,0,0|2,0,0]=4 56 B10R0.79 CCOC(OCC)OC(C)=O 13756 [0,2,0,0,0,0|1,0,0]=3 57 B10R0.134 COC(=O)CP(=O)(OC)OC 20032 [0,2,0,0,0,0|1,0,0]=3 58 B8R1.2 CC[C@H]1CNCCO1 11357 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.2 CC[C@H]1CNCCO1 17498 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.2 NOC1CCCCO1 13867 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.8 BrCCC1OCCO1 35931 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.8 NCCC1OCCO1 16803 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.7 CC(=O)C1CCCC1 16480 [0,0,0,1,1,0|2,0,0]=4 64 B8R1.7 O=C(O)C1CCCO1 7088 [0,0,0,1,1,0|2,0,0]=4 65 B8R1.7 O=C(O)[C@@H]1CCCO1 5795 [0,0,0,1,1,0|2,0,0]=4 66 B8R1.7 O=C(O)[C@H]1CCCO1 5796 [0,0,0,1,1,0|2,0,0]=4 67 B10R1.66 O=[N+]([O-])CCC1OCCO1 13716 [0,0,0,1,0,1|2,0,0]=4 68 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 17374 [0,0,0,2,0,0|2,0,0]=4 69 B6R0.3 CC[C@@H](C)C(=O)O 32186 [1,0,0,0,1,0|2,0,0]=4 70 B6R0.3 CC[C@H](C)C(=O)O 36048 [1,0,0,0,1,0|2,0,0]=4 71 B6R0.3 CC[C@H](C)C(=O)O 36048 [1,0,0,0,1,0|2,0,0]=4 72 B6R0.3 CC[C@H](O)C(=O)O 8265 [1,0,0,0,1,0|2,0,0]=4 73 B6R0.3 CN[C@@H](C)C(=O)O 24906 [1,0,0,0,1,0|2,0,0]=4 74 B6R0.3 COC(=O)C(C)=O 35415 [1,0,0,0,1,0|0,0,2]=4 75 B6R0.3 CON(C)C(C)=O 12775 [1,0,0,0,1,0|1,0,0]=3