0 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.1 C=CCC(=O)OC HY-W105369 [1,0,0,0,0,0|1,0,1]=3 2 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,0,0,0,0,0|2,0,0]=3 3 B6R0.1 CCOC(=O)CN HY-76204 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.1 COC(=O)CCN HY-W007648 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.1 COC(=O)CCO HY-42569 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.1 COC(=O)OCCl HY-43384 [1,0,0,0,0,0|1,1,0]=3 7 B6R0.1 O=C(CCO)O[Na] HY-W095705A [1,0,0,0,0,0|3,0,0]=4 8 B6R0.6 C(CO)=CCCC HY-W015936 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.6 CC\C=C/CCO HY-W010607 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,1,0,0,0,0|1,0,0]=2 11 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,1,0,0,0,0|1,0,1]=3 12 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,1,0,0,0,0|1,1,1]=4 13 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.5 CCOC(=O)C[N+](=O)[O-] HY-76486 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,0,0,1,0,0|1,1,1]=4 25 B8R1.11 CCN1CCCC1=O HY-B1620 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.11 CCN1CCCC1=O HY-B1620B [0,0,0,1,0,0|2,0,0]=3 27 B8R1.11 CCN1CCCC1=O HY-B1620H [0,0,0,1,0,0|2,0,0]=3 28 B8R1.11 CCN1CCCC1=O HY-B1620I [0,0,0,1,0,0|2,0,0]=3 29 B8R1.11 CCN1CCCC1=O HY-B1620J [0,0,0,1,0,0|2,0,0]=3 30 B8R1.11 CCN1CCCC1=O HY-B1620L [0,0,0,1,0,0|2,0,0]=3 31 B8R1.11 CCN1CCCC1=O HY-B1620O [0,0,0,1,0,0|2,0,0]=3 32 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,0,1,0,0|1,0,0]=2 35 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,0,1,0,0|1,0,0]=2 36 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,0,0,1,0,0|3,0,0]=4 37 B5R0.1 C#CCC(=O)O HY-W004784 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 C=CCC(=O)O HY-W068697 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 CC(=O)NCO HY-W024564 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|1,0,0]=3 44 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|1,0,0]=3 46 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|0,1,0]=3 47 B5R0.1 C\C=C\C(=O)O HY-Y1644 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.1 NCCC(=O)O HY-N0230 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 NOCC(=O)O HY-107994 [2,0,0,0,0,0|1,1,0]=4 50 B5R0.2 CCCSSC HY-N7436 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.2 CC\C=C/CO HY-W030347 [2,0,0,0,0,0|1,1,0]=4 52 B5R0.3 CCC(=O)CO HY-W005327 [2,0,0,0,0,0|0,1,0]=3 53 B5R0.3 CCC(=O)O[Na] HY-B1773A [2,0,0,0,0,0|1,0,0]=3 54 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [2,0,0,0,0,0|1,0,0]=3 55 B5R0.3 COC(=O)CN HY-Y1789 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.3 NCC(=O)O[Na] HY-W015946 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.3 O=C(CI)O[Na] HY-D0849 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.3 O=C(CO)CO HY-Y0335 [2,0,0,0,0,0|1,1,0]=4 59 B5R0.3 O=C(CO)O[Na] HY-W088011B [2,0,0,0,0,0|1,1,0]=4 60 B5R0.3 O=C(CS)O[Na] HY-W115724 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [1,1,0,0,0,0|2,0,0]=4 62 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [1,1,0,0,0,0|2,0,0]=4 69 B7R0.3 COC(=O)CCCBr HY-W004701 [1,1,0,0,0,0|1,0,0]=3 70 B7R0.3 COC(=O)CCCN HY-79594 [1,1,0,0,0,0|1,0,0]=3 71 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [1,1,0,0,0,0|0,1,1]=4 72 B7R0.3 O=C(CNCO)O[Na] HY-W018420 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [1,1,0,0,0,0|0,0,1]=3 74 B7R0.5 CCOC(=O)C(N)=S HY-78216 [1,1,0,0,0,0|0,0,2]=4 75 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [1,1,0,0,0,0|0,0,0]=2 76 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [1,1,0,0,0,0|0,0,0]=2 77 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.10 COC(=O)C(N)CO HY-W013622 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [1,1,0,0,0,0|2,0,0]=4 80 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.1 COCCOCCN HY-140675 [1,1,0,0,0,0|0,1,1]=4 84 B7R0.1 COCCOCCN HY-140676 [1,1,0,0,0,0|0,1,1]=4 85 B7R0.1 COCCOCCN HY-140677 [1,1,0,0,0,0|0,1,1]=4 86 B7R0.1 COCCOCCN HY-140678 [1,1,0,0,0,0|0,1,1]=4 87 B7R0.1 COCCOCCN HY-140679 [1,1,0,0,0,0|0,1,1]=4 88 B7R0.1 COCCOCCN HY-155881 [1,1,0,0,0,0|0,1,1]=4 89 B7R0.1 COCCOCCN HY-155882 [1,1,0,0,0,0|0,1,1]=4 90 B7R0.1 COCCOCCN HY-W008429 [1,1,0,0,0,0|0,1,1]=4 91 B7R0.1 COCCOCCN HY-W598230A [1,1,0,0,0,0|0,1,1]=4 92 B7R0.1 COCCOCCO HY-140696 [1,1,0,0,0,0|0,1,1]=4 93 B7R0.1 COCCOCCO HY-140696B [1,1,0,0,0,0|0,1,1]=4 94 B7R0.1 COCCOCCO HY-140696D [1,1,0,0,0,0|0,1,1]=4 95 B7R0.1 COCCOCCO HY-140696E [1,1,0,0,0,0|0,1,1]=4 96 B7R0.1 COCCOCCO HY-W012862 [1,1,0,0,0,0|0,1,1]=4 97 B7R0.1 COCCOCCS HY-140706 [1,1,0,0,0,0|0,1,1]=4 98 B7R0.1 COCCOCCS HY-140708 [1,1,0,0,0,0|0,1,1]=4 99 B7R0.1 COCCOCCS HY-W591476 [1,1,0,0,0,0|0,1,1]=4 100 B7R0.1 COCCOCCS HY-W591476B [1,1,0,0,0,0|0,1,1]=4 101 B7R0.1 COCCOCCS HY-W591476C [1,1,0,0,0,0|0,1,1]=4 102 B9R0.5 CCC\C=C\C(=O)OCC HY-W017567 [0,2,0,0,0,0|1,0,0]=3 103 B9R0.34 CCOC(=O)CC(=O)CC HY-78211 [0,2,0,0,0,0|1,0,0]=3 104 B9R0.34 CCOC(=O)CC(=O)O[K] HY-Y1031A [0,2,0,0,0,0|1,1,0]=4 105 B9R0.35 CCCC(C)C(=O)OCC HY-W015667 [0,2,0,0,0,0|1,0,0]=3 106 B9R0.35 CCC[C@H](N)C(=O)OCC HY-75949 [0,2,0,0,0,0|1,0,0]=3 107 B9R0.48 CCOC(=O)CNC(C)=O HY-W015651 [0,2,0,0,0,0|1,0,0]=3 108 B9R0.6 CCOC(=O)C(Cl)C(C)=O HY-Y0364 [0,2,0,0,0,0|1,0,0]=3 109 B9R0.6 CCOC(=O)C(N)C(C)C HY-W099254 [0,2,0,0,0,0|1,0,0]=3 110 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O HY-W040333 [0,2,0,0,0,0|1,0,0]=3 111 B9R0.23 CC(C)OC(=O)[C@@H](N)CO HY-Z0711 [0,2,0,0,0,0|2,0,0]=4 112 B9R0.44 CC(C)(C)OC(=O)CCN HY-W007578 [0,2,0,0,0,0|2,0,0]=4 113 B9R0.44 CC(C)(C)OC(=O)CCN HY-W017970 [0,2,0,0,0,0|2,0,0]=4 114 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,1,0,0|0,0,2]=4 116 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|0,0,0]=2 117 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,0,0,1,0,0|1,0,1]=4 119 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,1,0,0|1,0,0]=3 120 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|0,0,0]=2 121 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.3 O=C1CNCCN1 HY-20128 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.4 CN1CCCC1=O HY-Y1275 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.4 CN1CCNC1=O HY-W005507 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.4 NC1CCSC1=O HY-101404 [1,0,0,1,0,0|1,1,0]=4 127 B7R1.4 N[C@H]1CCSC1=O HY-101404A [1,0,0,1,0,0|1,1,0]=4 128 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [1,0,0,1,0,0|1,0,0]=3 129 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.73 CCOC(=O)C1CNC1 HY-W052600 [0,1,0,1,0,0|1,0,0]=3 131 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,1,0,1,0,0|1,0,0]=3