0 B6R0.5 C=CC[Si](C)(C)C HY-W019828 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 CC(C)(C)CCO HY-W012977 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.5 CCC[N+](C)(C)C HY-W099930 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.5 C[N+](C)(C)CCBr HY-W011972 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.5 C[N+](C)(C)CCCl HY-B1886 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.5 C[N+](C)(C)CCO HY-16074 [0,0,0,0,0,0|0,0,0]=0 6 B6R0.5 C[N+](C)(C)CCO HY-B1337 [0,0,0,0,0,0|0,0,0]=0 7 B6R0.5 C[N+](C)(C)CCO HY-B1337R [0,0,0,0,0,0|0,0,0]=0 8 B6R0.5 C[N+](C)(C)CCO HY-W039760 [0,0,0,0,0,0|0,0,0]=0 9 B6R0.5 C[N+](C)(C)CCO HY-W127656 [0,0,0,0,0,0|0,0,0]=0 10 B6R0.5 C[N+](C)(C)CCO HY-Y1242 [0,0,0,0,0,0|0,0,0]=0 11 B6R0.5 C[N+](C)(C)CCO HY-Y1242A [0,0,0,0,0,0|0,0,0]=0 12 B6R0.5 O=S(=O)(O)CCO HY-Y0095 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CC(C)=CCO HY-W013035 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CC(O)CCO HY-77490A [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CN(C)CC=O HY-100061A [1,0,0,0,0,0|0,0,3]=4 18 B5R0.1 C[C@@H](O)CCO HY-77490 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.4 CC(C)(N)CO HY-W013027 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.4 CC(C)(N)CO HY-W013027A [1,0,0,0,0,0|2,0,0]=3 21 B5R0.4 CC(C)(O)CN HY-33948 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.4 CC[N+](C)(C)C HY-W101257 [1,0,0,0,0,0|0,0,0]=1 23 B5R0.4 CO[Si](C)(C)C HY-104035E [1,0,0,0,0,0|2,0,0]=3 24 B7R0.8 CC(C)(C)OCCN HY-W154207 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.8 CCCCC(C)(C)O HY-W111893 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.8 C[N+](C)(C)CCCBr HY-W009431 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,1,0,0,0,0|2,0,1]=4 28 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [0,1,0,0,0,0|2,0,0]=3 30 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,1,0,0,0,0|0,0,1]=2 31 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710 [0,1,0,0,0,0|0,0,2]=3 32 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-W010348 [0,1,0,0,0,0|0,0,2]=3 33 B7R0.11 C[N+](C)(CF)CCO HY-107351 [0,1,0,0,0,0|0,0,0]=1 34 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|2,0,0]=4 35 B4R0.1 CC(C)=NO HY-W008840 [2,0,0,0,0,0|2,0,0]=4 36 B4R0.1 CC(O)CO HY-Y0921 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|2,0,0]=4 38 B4R0.1 C[C@@H](N)CO HY-W010646 [2,0,0,0,0,0|2,0,0]=4 39 B4R0.1 C[C@@H](O)CO HY-Z0031 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.2 C#CCCO HY-W001947 [2,0,0,0,0,0|1,0,1]=4 41 B4R0.2 CNCCO HY-Y1783 [2,0,0,0,0,0|0,0,1]=3 42 B4R0.2 COCCO HY-139415 [2,0,0,0,0,0|1,0,0]=3 43 B4R0.2 NCCCO HY-Y0139 [2,0,0,0,0,0|2,0,0]=4 44 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.2 OCCCBr HY-W007337 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.2 OCCCO HY-W017758 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.2 OCCCS HY-W090210 [2,0,0,0,0,0|2,0,0]=4 48 B4R0.3 CN(C)(C)=O HY-116084 [2,0,0,0,0,0|0,0,2]=4 49 B4R0.3 C[N+](C)(C)C HY-W014861 [2,0,0,0,0,0|0,0,0]=2 50 B4R0.3 C[N+](C)(C)C HY-W040184 [2,0,0,0,0,0|0,0,0]=2 51 B4R0.3 C[N+](C)(C)C HY-W095635 [2,0,0,0,0,0|0,0,0]=2 52 B4R0.3 C[N+](C)(C)C HY-W127672 [2,0,0,0,0,0|0,0,0]=2 53 B4R0.3 C[N+](C)(C)C HY-W130431 [2,0,0,0,0,0|0,0,0]=2 54 B4R0.3 C[N+](C)(C)C HY-Y0658 [2,0,0,0,0,0|0,0,0]=2 55 B4R0.3 C[N+](C)(C)[O-] HY-108915 [2,0,0,0,0,0|0,0,1]=3 56 B6R0.1 COC(=O)CCO HY-42569 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.2 CC(C)CB(O)O HY-W000978 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.2 CC(N)CN(C)C HY-32007 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.2 CC(N)CN(C)C HY-32007A [1,1,0,0,0,0|1,0,1]=4 62 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,1,0,0,0,0|0,0,2]=4 63 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,1,0,0,0,0|0,0,2]=4 64 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,1,0,0,0,0|0,0,2]=4 65 B6R0.3 CC(C)[C@H](N)CO HY-30167A [1,1,0,0,0,0|1,0,0]=3 66 B6R0.4 CC(C)CCCO HY-W007511 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.4 CN(C)CCCCl HY-W018789 [1,1,0,0,0,0|1,0,1]=4 68 B6R0.8 CC(N)(CO)CO HY-W017054 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.24 C[N+](C)(C)CC(=O)NN HY-W074541 [0,2,0,0,0,0|0,0,2]=4 70 B8R0.24 C[N+](C)(C)CC(O)CCl HY-D0176 [0,2,0,0,0,0|0,0,0]=2 71 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [0,2,0,0,0,0|1,0,1]=4 72 B8R0.27 CC(C)(C)C(N)C(=O)O HY-W002302 [0,2,0,0,0,0|1,0,1]=4 73 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O HY-W001954 [0,2,0,0,0,0|1,0,1]=4 74 B8R0.27 CC(C)(C)[C@H](N)C(=O)O HY-59140 [0,2,0,0,0,0|1,0,1]=4 75 B8R0.33 CC(C)(C)CC(C)(C)C HY-W134422 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.30 C#CC[N+](C)(C)CCO HY-129084 [0,2,0,0,0,0|0,0,0]=2 77 B8R0.30 C=CC[N+](C)(C)CC=C HY-W106486 [0,2,0,0,0,0|1,0,1]=4 78 B6R1.2 CN1CCCC1 HY-128383 [1,0,0,1,0,0|1,0,1]=4 79 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|2,0,0]=4 80 B6R1.2 O[C@H]1CCOC1 HY-76476 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.72 C[N+]1(C)CCCCC1 HY-W017448 [0,1,0,1,0,0|1,0,0]=3 82 B8R1.72 C[N+]1([O-])CCOCC1 HY-Y1101B [0,1,0,1,0,0|1,0,0]=3 83 B8R1.52 CC[N+]1(C)CCCC1 HY-W127700 [0,1,0,1,0,0|1,0,0]=3