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|1,0,2]=4 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|2,0,0]=3 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|3,0,0]=4 7 B6R0.1 O=C(CCO)O[Na] HY-W095705A [1,0,0,0,0,0|3,0,0]=4 8 B6R0.6 BrCCOCCBr HY-W013458 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.6 C(CO)=CCCC HY-W015936 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.6 CCCCCCO HY-W032022 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.6 CCC\C=C\C=O HY-128429 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.6 CC\C=C/CCO HY-W010607 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.6 ClCCNCCCl HY-Y0881 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.6 NCCCCCN HY-W016750 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 NCCCCCO HY-W012971 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.6 NCCOCCN HY-140208 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.6 NCCOCCN HY-140648 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 OCCOCCBr HY-141213 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.6 OCCOCCO HY-B1952 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.6 SCCOCCS HY-145485 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,1,0,0,0,0|1,0,0]=2 22 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,1,0,0,0,0|1,0,2]=4 27 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,1,0,0,0,0|1,0,0]=2 32 B8R0.5 CCOC(=O)C[N+](=O)[O-] HY-76486 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,0,0,1,0,0|1,0,1]=3 36 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.8 OCCN1CCCC1 HY-W010519 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.11 C=CN1CCCC1=O HY-W392209A [0,0,0,1,0,0|1,0,2]=4 39 B8R1.11 CCN1CCCC1=O HY-B1620 [0,0,0,1,0,0|1,0,0]=2 40 B8R1.11 CCN1CCCC1=O HY-B1620B [0,0,0,1,0,0|1,0,0]=2 41 B8R1.11 CCN1CCCC1=O HY-B1620H [0,0,0,1,0,0|1,0,0]=2 42 B8R1.11 CCN1CCCC1=O HY-B1620I [0,0,0,1,0,0|1,0,0]=2 43 B8R1.11 CCN1CCCC1=O HY-B1620J [0,0,0,1,0,0|1,0,0]=2 44 B8R1.11 CCN1CCCC1=O HY-B1620L [0,0,0,1,0,0|1,0,0]=2 45 B8R1.11 CCN1CCCC1=O HY-B1620O [0,0,0,1,0,0|1,0,0]=2 46 B8R1.11 CN1CCC[C@H]1CO HY-W019679 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,0,1,0,0|1,0,0]=2 50 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,0,1,0,0|1,0,0]=2 51 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,0,0,1,0,0|1,0,0]=2 52 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 CC(=O)NCO HY-W024564 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 NCCC(=O)O HY-N0230 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.2 CCCSSC HY-N7436 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.2 CCSCCCl HY-W199190 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.2 CC\C=C/CO HY-W030347 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.2 NCCCCO HY-W002041 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.3 CCC(=O)CO HY-W005327 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.3 CCC(=O)O[Na] HY-B1773A [2,0,0,0,0,0|2,0,0]=4 67 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [2,0,0,0,0,0|2,0,0]=4 68 B5R0.3 COC(=O)CN HY-Y1789 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.3 O=C(CO)CO HY-Y0335 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.2 CCC(C)CC(C)N HY-W015593 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,1,0,0,0,0|1,0,0]=3 77 B7R0.3 CCCCC(=O)NN HY-W012890 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.3 COC(=O)CCCBr HY-W004701 [1,1,0,0,0,0|1,0,0]=3 79 B7R0.3 COC(=O)CCCN HY-79594 [1,1,0,0,0,0|1,0,0]=3 80 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.10 COC(=O)C(N)CO HY-W013622 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [1,1,0,0,0,0|2,0,0]=4 87 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.1 CCCCCCCO HY-W099504 [1,1,0,0,0,0|0,0,1]=3 92 B7R0.1 CCCSSCCC HY-W196803 [1,1,0,0,0,0|1,0,0]=3 93 B7R0.1 COCCOCCN HY-140675 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.1 COCCOCCN HY-140676 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.1 COCCOCCN HY-140677 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.1 COCCOCCN HY-140678 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.1 COCCOCCN HY-140679 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.1 COCCOCCN HY-155881 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.1 COCCOCCN HY-155882 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.1 COCCOCCN HY-W008429 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.1 COCCOCCN HY-W598230A [1,1,0,0,0,0|2,0,0]=4 102 B7R0.1 COCCOCCO HY-140696 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.1 COCCOCCO HY-140696B [1,1,0,0,0,0|2,0,0]=4 104 B7R0.1 COCCOCCO HY-140696D [1,1,0,0,0,0|2,0,0]=4 105 B7R0.1 COCCOCCO HY-140696E [1,1,0,0,0,0|2,0,0]=4 106 B7R0.1 COCCOCCO HY-W012862 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.1 COCCOCCS HY-140706 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.1 COCCOCCS HY-140708 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.1 COCCOCCS HY-W591476 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.1 COCCOCCS HY-W591476B [1,1,0,0,0,0|2,0,0]=4 111 B7R0.1 COCCOCCS HY-W591476C [1,1,0,0,0,0|2,0,0]=4 112 B7R0.1 ClCCCCCCBr HY-W009787 [1,1,0,0,0,0|1,0,1]=4 113 B7R0.1 NCCCCCCO HY-W007957 [1,1,0,0,0,0|1,0,1]=4 114 B7R0.1 NCCCNCCS HY-103640 [1,1,0,0,0,0|2,0,0]=4 115 B7R0.1 NCCCNCCS HY-137864 [1,1,0,0,0,0|2,0,0]=4 116 B7R0.1 OCCCCCCBr HY-W016455 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.1 OCCCCCCCl HY-41681 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.1 OCCCCCCO HY-W010505 [1,1,0,0,0,0|1,0,1]=4 119 B7R0.4 CCCCCC(C)N HY-B0952 [1,1,0,0,0,0|0,0,1]=3 120 B7R0.4 CCCCCC(C)O HY-W015879 [1,1,0,0,0,0|0,0,1]=3 121 B9R0.5 CCC\C=C\C(=O)OCC HY-W017567 [0,2,0,0,0,0|1,0,0]=3 122 B9R0.34 CCOC(=O)CC(=O)CC HY-78211 [0,2,0,0,0,0|1,0,0]=3 123 B9R0.35 CCCC(C)C(=O)OCC HY-W015667 [0,2,0,0,0,0|1,0,0]=3 124 B9R0.35 CCC[C@H](N)C(=O)OCC HY-75949 [0,2,0,0,0,0|1,0,0]=3 125 B9R0.48 CCCC(=O)NCC(=O)O HY-113119 [0,2,0,0,0,0|1,0,1]=4 126 B9R0.48 CCOC(=O)CNC(C)=O HY-W015651 [0,2,0,0,0,0|1,0,1]=4 127 B9R0.6 CCOC(=O)C(Cl)C(C)=O HY-Y0364 [0,2,0,0,0,0|1,0,1]=4 128 B9R0.6 CCOC(=O)C(N)C(C)C HY-W099254 [0,2,0,0,0,0|1,0,0]=3 129 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O HY-W040333 [0,2,0,0,0,0|1,0,0]=3 130 B9R0.23 CC(C)OC(=O)[C@@H](N)CO HY-Z0711 [0,2,0,0,0,0|2,0,0]=4 131 B9R0.44 CC(C)(C)OC(=O)CCN HY-W007578 [0,2,0,0,0,0|2,0,0]=4 132 B9R0.44 CC(C)(C)OC(=O)CCN HY-W017970 [0,2,0,0,0,0|2,0,0]=4 133 B9R0.15 CCCC(CCC)C(=O)O HY-10585 [0,2,0,0,0,0|0,0,1]=3 134 B9R0.15 CCCC(CCC)C(=O)O HY-10585R [0,2,0,0,0,0|0,0,1]=3 135 B9R0.15 CCCC(CCC)C(N)=O HY-B2117 [0,2,0,0,0,0|0,0,1]=3 136 B9R0.17 CCCN(CCC)CCC HY-W790758 [0,2,0,0,0,0|2,0,0]=4 137 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|0,0,2]=4 138 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|1,0,0]=3 139 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,1,0,0|1,0,0]=3 142 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,1,0,0|1,0,0]=3 144 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,1,0,0|1,0,0]=3 145 B7R1.3 O=C1CNCCN1 HY-20128 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.3 OC1CCCCC1 HY-Y1217 [1,0,0,1,0,0|0,0,2]=4 147 B7R1.4 CN1CCCC1=O HY-Y1275 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.4 CN1CCNC1=O HY-W005507 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.4 NC1CCSC1=O HY-101404 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.4 N[C@H]1CCSC1=O HY-101404A [1,0,0,1,0,0|2,0,0]=4 151 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [1,0,0,1,0,0|2,0,0]=4 152 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,1,0,1,0,0|0,0,1]=3 153 B9R1.73 CCOC(=O)C1CNC1 HY-W052600 [0,1,0,1,0,0|1,0,0]=3 154 B9R1.3 O=C1CCCC(=O)C1Br HY-W027690 [0,1,0,1,0,0|1,0,1]=4 155 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [0,1,0,1,0,0|1,0,0]=3 156 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,1,0,1,0,0|0,0,0]=2 157 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,1,0,1,0,0|1,0,0]=3 158 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,1,0,1,0,0|1,0,0]=3