0 B7R1.3 BrC1CCOCC1 HY-W003396 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 CC1CCOCO1 HY-W111914 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,0,0,0|1,0,2]=3 4 B7R1.3 O=C1CCCCN1 HY-W042193 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.3 O=C1CCCCO1 HY-W012997 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.3 O=C1CCOCC1 HY-76487 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.3 O=C1CCSCC1 HY-W002007 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.3 O=C1CNCCN1 HY-20128 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 OC1CCCCC1 HY-Y1217 [0,0,0,0,0,0|0,0,2]=2 10 B6R1.1 C1CSCCN1 HY-W007359 [1,0,0,0,0,0|2,0,0]=3 11 B6R1.1 C1CSCSC1 HY-W001189 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.2 OCC1CCCCO1 HY-115051 [0,1,0,0,0,0|1,0,2]=4 13 B8R1.2 OCC1CCOCC1 HY-79631 [0,1,0,0,0,0|1,0,2]=4 14 B8R1.3 CN1CCC(O)CC1 HY-W018626 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.3 C[C@H]1CC[C@H](N)CC1 HY-W010538 [0,1,0,0,0,0|1,0,1]=3 16 B8R1.3 NC1CCC(N)CC1 HY-W007732B [0,1,0,0,0,0|1,0,1]=3 17 B8R1.3 N[C@H]1CC[C@H](O)CC1 HY-79722 [0,1,0,0,0,0|0,0,2]=3 18 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,1,0,0,0,0|0,0,1]=2 19 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,1,0,0,0,0|2,0,1]=4 20 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,0,0,0|0,0,1]=2 22 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,0,0,0|1,0,1]=3 23 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,0,0,0|0,0,0]=1 26 B8R1.5 NC1CCCNC1=O HY-21088 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-41957 [0,1,0,0,0,0|1,0,1]=3 28 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,1,0,0,0,0|1,0,0]=2 29 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,0,0,0|0,0,1]=2 30 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [0,1,0,0,0,0|0,0,2]=3 31 B8R1.72 C[N+]1(C)CCCCC1 HY-W017448 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.72 C[N+]1([O-])CCOCC1 HY-Y1101B [0,1,0,0,0,0|2,0,1]=4 33 B8R1.72 FC1(F)CCNCC1 HY-W001440 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 C=CCC(=O)OC HY-W105369 [0,0,1,0,0,0|1,0,2]=4 35 B6R0.1 CCCC(=O)O[Na] HY-B0350A [0,0,1,0,0,0|2,0,0]=3 36 B6R0.1 CCOC(=O)CN HY-76204 [0,0,1,0,0,0|2,0,0]=3 37 B6R0.1 COC(=O)CCN HY-W007648 [0,0,1,0,0,0|2,0,0]=3 38 B6R0.1 COC(=O)CCO HY-42569 [0,0,1,0,0,0|2,0,0]=3 39 B6R0.1 COC(=O)OCCl HY-43384 [0,0,1,0,0,0|3,0,0]=4 40 B6R0.1 O=C(CCO)O[Na] HY-W095705A [0,0,1,0,0,0|3,0,0]=4 41 B6R0.4 C=CCCC(=O)O HY-Y0624 [0,0,1,0,0,0|1,0,2]=4 42 B6R0.4 CC(C)CCCO HY-W007511 [0,0,1,0,0,0|2,0,1]=4 43 B6R0.4 CCCCB(O)O HY-W000932 [0,0,1,0,0,0|2,0,1]=4 44 B6R0.4 CCCCC(N)=O HY-W144037 [0,0,1,0,0,0|1,0,0]=2 45 B6R0.4 CCNCC(=O)O HY-W141879 [0,0,1,0,0,0|2,0,0]=3 46 B6R0.4 CCOCC(=O)O HY-W027555 [0,0,1,0,0,0|2,0,0]=3 47 B6R0.4 CC\C=C\C(=O)O HY-W061674 [0,0,1,0,0,0|1,0,2]=4 48 B6R0.4 CN(C)CCCCl HY-W018789 [0,0,1,0,0,0|3,0,0]=4 49 B6R0.4 CSCCC(=O)O HY-101401 [0,0,1,0,0,0|2,0,0]=3 50 B6R0.4 C\C=C\CC(=O)O HY-W088501 [0,0,1,0,0,0|1,0,2]=4 51 B6R0.4 NCCCC(=O)O HY-N0067 [0,0,1,0,0,0|2,0,0]=3 52 B6R0.4 NCCCC(=O)O HY-N0067R [0,0,1,0,0,0|2,0,0]=3 53 B6R0.6 C=CCCCCO HY-W012995 [0,0,1,0,0,0|2,0,0]=3 54 B6R0.6 CCCCCCO HY-W032022 [0,0,1,0,0,0|0,0,2]=3 55 B6R0.6 CCC\C=C\C=O HY-128429 [0,0,1,0,0,0|0,0,2]=3 56 B6R0.6 NCCCCCN HY-W016750 [0,0,1,0,0,0|2,0,1]=4 57 B6R0.6 NCCCCCO HY-W012971 [0,0,1,0,0,0|1,0,2]=4 58 B6R1.2 CN1CCCC1 HY-128383 [0,0,0,0,1,0|2,0,0]=3 59 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,0,0,0,1,0|2,0,1]=4 60 B6R1.2 N=C1CCCS1 HY-W015798 [0,0,0,0,1,0|2,0,0]=3 61 B6R1.2 O=C1C=CCC1 HY-W010643 [0,0,0,0,1,0|0,0,2]=3 62 B6R1.2 O=C1C=CCO1 HY-W008270 [0,0,0,0,1,0|1,0,2]=4 63 B6R1.2 O=C1CCOC1 HY-33900 [0,0,0,0,1,0|1,0,0]=2 64 B6R1.2 O=C1CCSC1 HY-W010594 [0,0,0,0,1,0|1,0,0]=2 65 B6R1.2 O=C1NCCN1 HY-W031536 [0,0,0,0,1,0|2,0,0]=3 66 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,0,0,0,1,0|1,0,2]=4 67 B6R1.2 SC1=NCCN1 HY-W010593 [0,0,0,0,1,0|2,1,0]=4 68 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,0,0,0,1|0,0,0]=1 69 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,0,0,0,1|0,0,0]=1 70 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,0,0,0,1|0,0,0]=1 71 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,0,0,0,0,1|0,0,0]=1 72 B5R0.1 CC(=O)CCO HY-W051287 [1,0,1,0,0,0|1,0,0]=3 73 B5R0.1 CC(=O)NCO HY-W024564 [1,0,1,0,0,0|2,0,0]=4 74 B5R0.1 CCCC(N)=O HY-W088319 [1,0,1,0,0,0|1,0,0]=3 75 B5R0.1 CCOC(N)=O HY-B1207 [1,0,1,0,0,0|2,0,0]=4 76 B5R0.1 CCOC(N)=O HY-B1207R [1,0,1,0,0,0|2,0,0]=4 77 B5R0.1 CNCC(=O)O HY-101037 [1,0,1,0,0,0|2,0,0]=4 78 B5R0.1 CNCC(=O)O HY-101037R [1,0,1,0,0,0|2,0,0]=4 79 B5R0.1 COCC(=O)O HY-Y1009 [1,0,1,0,0,0|2,0,0]=4 80 B5R0.1 NCCC(=O)O HY-N0230 [1,0,1,0,0,0|2,0,0]=4 81 B5R0.2 CCCSSC HY-N7436 [1,0,1,0,0,0|2,0,0]=4 82 B5R0.2 CCSCCCl HY-W199190 [1,0,1,0,0,0|2,0,0]=4 83 B5R0.2 CC\C=C/CO HY-W030347 [1,0,1,0,0,0|1,0,1]=4 84 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,1,0,0,0|0,0,2]=4 85 B5R0.2 NCCCCO HY-W002041 [1,0,1,0,0,0|1,0,1]=4 86 B5R0.3 CCC(=O)CO HY-W005327 [1,0,1,0,0,0|1,0,0]=3 87 B5R0.3 CCC(=O)O[Na] HY-B1773A [1,0,1,0,0,0|2,0,0]=4 88 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [1,0,1,0,0,0|2,0,0]=4 89 B5R0.3 COC(=O)CN HY-Y1789 [1,0,1,0,0,0|2,0,0]=4 90 B5R0.3 O=C(CO)CO HY-Y0335 [1,0,1,0,0,0|2,0,0]=4 91 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [0,1,1,0,0,0|2,0,0]=4 92 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,1,1,0,0,0|1,0,1]=4 93 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,1,1,0,0,0|1,0,1]=4 94 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [0,1,1,0,0,0|2,0,0]=4 95 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [0,1,1,0,0,0|2,0,0]=4 96 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,1,1,0,0,0|1,0,0]=3 97 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,1,1,0,0,0|1,0,0]=3 98 B7R0.3 CCCCC(=O)NN HY-W012890 [0,1,1,0,0,0|2,0,0]=4 99 B7R0.3 COC(=O)CCCBr HY-W004701 [0,1,1,0,0,0|1,0,0]=3 100 B7R0.3 COC(=O)CCCN HY-79594 [0,1,1,0,0,0|1,0,0]=3 101 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,1,1,0,0,0|1,0,1]=4 102 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,1,1,0,0,0|1,0,1]=4 103 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,1,1,0,0,0|1,0,0]=3 104 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,1,1,0,0,0|1,0,0]=3 105 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,1,1,0,0,0|1,0,0]=3 106 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,1,1,0,0,0|2,0,0]=4 107 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,1,1,0,0,0|2,0,0]=4 108 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,1,1,0,0,0|2,0,0]=4 109 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,1,1,0,0,0|2,0,0]=4 110 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [0,1,1,0,0,0|2,0,0]=4 111 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,1,1,0,0,0|2,0,0]=4 112 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,1,1,0,0,0|2,0,0]=4 113 B7R0.4 C#CCCCC(=O)O HY-Y0925 [0,1,1,0,0,0|1,0,1]=4 114 B7R0.4 CCCCCC(C)N HY-B0952 [0,1,1,0,0,0|1,0,1]=4 115 B7R0.4 CCCCCC(C)O HY-W015879 [0,1,1,0,0,0|0,0,2]=4 116 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,1,1,0,0,0|1,0,1]=4 117 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,1,1,0,0,0|1,0,1]=4 118 B7R0.4 NCCCCC(=O)O HY-W015878 [0,1,1,0,0,0|1,0,0]=3 119 B7R0.4 NCCOCC(=O)O HY-140643 [0,1,1,0,0,0|2,0,0]=4 120 B7R0.4 NCCOCC(=O)O HY-140644 [0,1,1,0,0,0|2,0,0]=4 121 B7R0.4 O=C(Cl)CCCCBr HY-43538 [0,1,1,0,0,0|1,0,0]=3 122 B7R0.4 O=C(O)CCCCBr HY-W016456 [0,1,1,0,0,0|1,0,0]=3 123 B7R0.4 O=C(O)COCCBr HY-130163 [0,1,1,0,0,0|2,0,0]=4 124 B7R0.4 O=C(O)COCCS HY-140730 [0,1,1,0,0,0|2,0,0]=4 125 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,1,1,0,0,0|1,0,1]=4 126 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,1,1,0,0,0|1,0,0]=3 127 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,1,1,0,0,0|1,0,0]=3 128 B7R0.8 CCCCC(C)(C)O HY-W111893 [0,1,1,0,0,0|0,0,2]=4 129 B7R0.1 C#CCCCCCBr HY-W459522 [0,1,1,0,0,0|1,0,1]=4 130 B7R0.1 CCCCCCCO HY-W099504 [0,1,1,0,0,0|0,0,2]=4 131 B7R0.1 CCCC\C=C\C=O HY-W127398 [0,1,1,0,0,0|0,0,1]=3 132 B7R0.1 ClCCCCCCBr HY-W009787 [0,1,1,0,0,0|1,0,1]=4 133 B7R0.1 NCCCCCCO HY-W007957 [0,1,1,0,0,0|0,0,2]=4 134 B7R0.1 OCCCCCCBr HY-W016455 [0,1,1,0,0,0|0,0,2]=4 135 B7R0.1 OCCCCCCCl HY-41681 [0,1,1,0,0,0|0,0,2]=4 136 B7R0.1 OCCCCCCO HY-W010505 [0,1,1,0,0,0|0,0,2]=4 137 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,1,0,0,1,0|0,0,2]=4 138 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,0,1,0|1,0,0]=3 139 B7R1.2 CN1CCC(O)C1 HY-I0708 [0,1,0,0,1,0|2,0,0]=4 140 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,1,0,0,1,0|0,0,1]=3 141 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,1,0,0,1,0|1,0,1]=4 142 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,1,0,0,1,0|1,0,1]=4 143 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,1,0,0,1,0|1,0,0]=3 144 B7R1.4 CN1CCCC1=O HY-Y1275 [0,1,0,0,1,0|1,0,0]=3 145 B7R1.4 CN1CCNC1=O HY-W005507 [0,1,0,0,1,0|2,0,0]=4 146 B7R1.4 NC1CCSC1=O HY-101404 [0,1,0,0,1,0|1,0,0]=3 147 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,1,0,0,1,0|2,0,0]=4 148 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [0,1,0,0,1,0|2,0,0]=4 149 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,0,1,0|1,0,0]=3 150 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,1,0,0,1,0|2,0,0]=4 151 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,1,0,0,1,0|1,0,0]=3 152 B7R1.14 O=S1(=O)CCCN1 HY-W001194 [0,1,0,0,1,0|2,0,0]=4 153 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [0,1,0,0,0,1|0,0,0]=2 154 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,1,0,0,0,1|0,0,0]=2 155 B9R1.6 O=C(O)C1=CCCNC1 HY-100809 [0,2,0,0,0,0|1,0,1]=4 156 B9R1.6 O=C(O)C1=CCCNC1 HY-N2482A [0,2,0,0,0,0|1,0,1]=4 157 B9R1.6 O=C(O)C1=CCNCC1 HY-100810 [0,2,0,0,0,0|1,0,1]=4 158 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,2,0,0,0,0|0,0,1]=3 159 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,2,0,0,0,0|1,0,1]=4 160 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [0,2,0,0,0,0|1,0,1]=4 161 B9R1.6 O=C(O)C1CCNCC1 HY-Y1176 [0,2,0,0,0,0|1,0,1]=4 162 B9R1.6 O=C(O)C1CCOCC1 HY-W002155 [0,2,0,0,0,0|1,0,1]=4 163 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,2,0,0,0,0|1,0,1]=4 164 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,2,0,0,0,0|1,0,1]=4 165 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [0,2,0,0,0,0|1,0,1]=4 166 B9R1.8 OCCN1CCCCC1 HY-W012728 [0,2,0,0,0,0|1,0,1]=4 167 B9R1.10 CC1(C)CCC(=O)CC1 HY-W002564 [0,2,0,0,0,0|0,0,0]=2 168 B9R1.10 CC1(O)CCC(=O)CC1 HY-W036733 [0,2,0,0,0,0|0,0,0]=2 169 B9R1.69 CC1CN(C)CCC1=O HY-76718 [0,2,0,0,0,0|1,0,0]=3 170 B9R1.3 CN1CCCN(C)C1=O HY-Y0100 [0,2,0,0,0,0|2,0,0]=4 171 B9R1.3 O=C1CCCC(=O)C1Br HY-W027690 [0,2,0,0,0,0|0,0,1]=3 172 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,2,0,0,0,0|0,0,0]=2 173 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,2,0,0,0,0|1,0,0]=3 174 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,2,0,0,0,0|1,0,0]=3 175 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [0,0,1,1,0,0|2,0,0]=4 176 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,0,1,1,0,0|2,0,0]=4 177 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,0,1,1,0,0|2,0,0]=4 178 B7R1.20 O=C(O)CC1CC1 HY-W010610 [0,0,1,1,0,0|1,0,0]=3 179 B5R1.2 O=C1CCO1 HY-107931 [0,0,0,0,2,0|1,0,0]=3 180 B5R1.2 O=C1COC1 HY-76440 [0,0,0,0,2,0|1,0,0]=3 181 B5R1.2 OC1CCC1 HY-W013042 [0,0,0,0,2,0|0,0,2]=4