0 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 C=CCC(=O)OC HY-W105369 [1,0,0,0,0,0|0,0,2]=3 2 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,0,0,0,0,0|1,0,2]=4 3 B6R0.1 CCOC(=O)CN HY-76204 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.1 COC(=O)CCN HY-W007648 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.1 COC(=O)CCO HY-42569 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.1 COC(=O)OCCl HY-43384 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.6 C(CO)=CCCC HY-W015936 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.6 CCC\C=C\C=O HY-128429 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.6 CC\C=C/CCO HY-W010607 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.6 C\C=C\C=C\CO HY-W017690 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,1,0,0,0,0|0,0,2]=3 12 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,1,0,0,0,0|1,0,1]=3 13 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,1,0,0,0,0|0,0,2]=3 15 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,1,0,0,0,0|1,0,2]=4 16 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,1,0,0,0,0|0,0,0]=1 17 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,1,0,0,0,0|0,0,1]=2 19 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,1,0,0,0,0|0,0,2]=3 20 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,1,0,0,0,0|1,0,1]=3 21 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.5 CCOC(=O)C[N+](=O)[O-] HY-76486 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.4 CC1=CC(C)=O[Ru]O1 HY-W020958 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.11 C=CN1CCCC1=O HY-W392209A [0,0,0,1,0,0|2,0,1]=4 28 B8R1.11 CCN1CCCC1=O HY-B1620 [0,0,0,1,0,0|1,0,2]=4 29 B8R1.11 CCN1CCCC1=O HY-B1620B [0,0,0,1,0,0|1,0,2]=4 30 B8R1.11 CCN1CCCC1=O HY-B1620H [0,0,0,1,0,0|1,0,2]=4 31 B8R1.11 CCN1CCCC1=O HY-B1620I [0,0,0,1,0,0|1,0,2]=4 32 B8R1.11 CCN1CCCC1=O HY-B1620J [0,0,0,1,0,0|1,0,2]=4 33 B8R1.11 CCN1CCCC1=O HY-B1620L [0,0,0,1,0,0|1,0,2]=4 34 B8R1.11 CCN1CCCC1=O HY-B1620O [0,0,0,1,0,0|1,0,2]=4 35 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,0,0,1,0,0|1,0,1]=3 37 B8R1.18 CC1=CC(C)=NN1C HY-N7086 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,0,1,0,0|0,0,2]=3 41 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,0,1,0,0|0,0,2]=3 42 B5R0.1 C=CCC(=O)O HY-W068697 [2,0,0,0,0,0|0,0,2]=4 43 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 CC(=O)NCO HY-W024564 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 CC(C)=CC=O HY-34409 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|1,0,0]=3 49 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.1 C\C=C\C(=O)O HY-Y1644 [2,0,0,0,0,0|0,0,0]=2 53 B5R0.2 CC\C=C/CO HY-W030347 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.2 CC\C=C\C=O HY-W111375 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.3 CCC(=O)CO HY-W005327 [2,0,0,0,0,0|1,0,1]=4 56 B5R0.3 CCC(=O)O[Na] HY-B1773A [2,0,0,0,0,0|1,0,1]=4 57 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [2,0,0,0,0,0|1,0,1]=4 58 B5R0.3 COC(=O)CN HY-Y1789 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [1,1,0,0,0,0|1,0,1]=4 60 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [1,1,0,0,0,0|0,0,1]=3 61 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,1,0,0,0,0|0,0,2]=4 62 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,1,0,0,0,0|0,0,2]=4 63 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [1,1,0,0,0,0|1,0,1]=4 64 B7R0.3 COC(=O)CCCBr HY-W004701 [1,1,0,0,0,0|0,0,2]=4 65 B7R0.3 COC(=O)CCCN HY-79594 [1,1,0,0,0,0|0,0,2]=4 66 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [1,1,0,0,0,0|0,0,0]=2 67 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [1,1,0,0,0,0|0,0,0]=2 69 B7R0.5 CCOC(=O)C(N)=S HY-78216 [1,1,0,0,0,0|1,0,0]=3 70 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [1,1,0,0,0,0|0,0,1]=3 71 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [1,1,0,0,0,0|0,0,1]=3 72 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [1,1,0,0,0,0|1,0,1]=4 74 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.1 CCCC\C=C\C=O HY-W127398 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.5 CCC\C=C\C(=O)OCC HY-W017567 [0,2,0,0,0,0|0,0,0]=2 78 B9R0.34 CCOC(=O)CC(=O)CC HY-78211 [0,2,0,0,0,0|0,0,1]=3 79 B9R0.34 CCOC(=O)CC(=O)O[K] HY-Y1031A [0,2,0,0,0,0|1,0,1]=4 80 B9R0.35 CCCC(C)C(=O)OCC HY-W015667 [0,2,0,0,0,0|0,0,2]=4 81 B9R0.35 CCC[C@H](N)C(=O)OCC HY-75949 [0,2,0,0,0,0|0,0,2]=4 82 B9R0.48 CCOC(=O)CNC(C)=O HY-W015651 [0,2,0,0,0,0|0,0,1]=3 83 B9R0.48 CCOC(=O)\C=C\C(=O)O HY-W019696 [0,2,0,0,0,0|0,0,1]=3 84 B9R0.6 CCOC(=O)C(Cl)C(C)=O HY-Y0364 [0,2,0,0,0,0|0,0,1]=3 85 B9R0.6 CCOC(=O)C(N)C(C)C HY-W099254 [0,2,0,0,0,0|0,0,2]=4 86 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O HY-W040333 [0,2,0,0,0,0|0,0,2]=4 87 B9R0.37 CCOC(=O)\C(C#N)=N\O HY-41456 [0,2,0,0,0,0|1,0,1]=4 88 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|0,0,0]=2 89 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,1,0,0|0,0,2]=4 90 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|0,0,1]=3 91 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.2 O=C1CCC(=O)N1 HY-41877 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.3 O=C1C=CCCN1 HY-W006454 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,1,0,0|1,0,1]=4 96 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|0,0,1]=3 97 B7R1.4 CN1CCCC1=O HY-Y1275 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.4 CN1CCNC1=O HY-W005507 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.4 CN1SC=CC1=O HY-W010243 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.4 CN1SC=CC1=O HY-W010520 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.8 CCOC1=CC=CC=C1 HY-Y1207 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.73 CCOC(=O)C1CNC1 HY-W052600 [0,1,0,1,0,0|0,0,2]=4 105 B9R1.37 CC1=C(O)C(=O)C(C)O1 HY-N7093 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.34 CC1=CC(=O)C=C(C)O1 HY-W010469 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.38 CC1(C)OC(=O)NC1=O HY-B1348 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,1,0,1,0,0|0,0,2]=4 109 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,1,0,1,0,0|0,0,2]=4