0 B6R0.1 C=CCC(=O)OC HY-W105369 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCCC(=O)O[Na] HY-B0350A [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CCOC(=O)CN HY-76204 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 COC(=O)CCN HY-W007648 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 COC(=O)CCO HY-42569 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 COC(=O)OCCl HY-43384 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 N#CCC(=O)NN HY-B0994 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.1 O=C(CCO)O[Na] HY-W095705A [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 C#CCC(=O)O HY-W004784 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|1,1,0]=3 18 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 NCCC(=O)O HY-N0230 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 NOCC(=O)O HY-107994 [1,0,0,0,0,0|2,1,0]=4 21 B5R0.2 CCCSSC HY-N7436 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.2 CCSCCCl HY-W199190 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.2 CC\C=C/CO HY-W030347 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.3 CCC(=O)CO HY-W005327 [1,0,0,0,0,0|0,1,0]=2 26 B5R0.3 CCC(=O)O[Na] HY-B1773A [1,0,0,0,0,0|1,1,0]=3 27 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [1,0,0,0,0,0|1,1,0]=3 28 B5R0.3 CNC(=S)NC HY-W027951 [1,0,0,0,0,0|2,1,0]=4 29 B5R0.3 COC(=O)CN HY-Y1789 [1,0,0,0,0,0|1,1,0]=3 30 B5R0.3 NCC(=O)O[Na] HY-W015946 [1,0,0,0,0,0|2,1,0]=4 31 B5R0.3 O=C(CI)O[Na] HY-D0849 [1,0,0,0,0,0|2,1,0]=4 32 B5R0.3 O=C(CO)CO HY-Y0335 [1,0,0,0,0,0|1,1,0]=3 33 B5R0.3 O=C(CO)O[Na] HY-W088011B [1,0,0,0,0,0|2,1,0]=4 34 B5R0.3 O=C(CS)O[Na] HY-W115724 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.3 OCC(S)CS HY-B1285 [1,0,0,0,0,0|1,1,1]=4 36 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,1,0,0,0,0|3,0,0]=4 37 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,1,0,0,0,0|3,0,0]=4 45 B7R0.3 CCCCC(=O)NN HY-W012890 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.3 COC(=O)CCCBr HY-W004701 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.3 COC(=O)CCCN HY-79594 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [0,1,0,0,0,0|1,1,1]=4 49 B7R0.3 O=C(CNCO)O[Na] HY-W018420 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,1,0,0,0,0|1,1,1]=4 56 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,1,0,0,0,0|3,0,0]=4 59 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,1,0,0,0,0|3,0,0]=4 63 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,1,0,0|1,0,1]=3 64 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.2 CN1CCC(O)C1 HY-I0708 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.3 O=C1CCCCN1 HY-W042193 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.3 O=C1CCCCO1 HY-W012997 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.3 O=C1CCOCC1 HY-76487 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.3 O=C1CCSCC1 HY-W002007 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.3 O=C1CNCCN1 HY-20128 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.3 OC1CCCCC1 HY-Y1217 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.4 CN1CCCC1=O HY-Y1275 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.4 CN1CCNC1=O HY-W005507 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.4 NC1CCSC1=O HY-101404 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,0,0,1,0,0|2,1,0]=4 82 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [0,0,0,1,0,0|2,1,0]=4 83 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,0,0,1,0,0|3,0,0]=4 84 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,0,0,1,0,0|2,1,0]=4 85 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,0,0,1,0,0|3,0,0]=4 86 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|0,1,1]=4 87 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|0,1,0]=3 88 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|1,1,0]=4 90 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|1,1,0]=4 91 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|1,1,0]=4 92 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|0,0,2]=4 93 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|1,1,0]=4 94 B4R0.1 NC(=O)CBr HY-W007330 [2,0,0,0,0,0|2,0,0]=4 95 B4R0.1 NC(=O)CCl HY-W010629 [2,0,0,0,0,0|2,0,0]=4 96 B4R0.1 NC(=O)CI HY-34477 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|1,1,0]=4 98 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|1,1,0]=4 99 B4R0.1 NCC(N)=O HY-Y1123 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|1,1,0]=4 101 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|1,1,0]=4 102 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|1,1,0]=4 103 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|1,1,0]=4 104 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|1,1,0]=4 105 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|0,0,1]=3 106 B4R0.2 CNCCO HY-Y1783 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.2 COCCO HY-139415 [2,0,0,0,0,0|1,1,0]=4 108 B4R0.2 CSSSC HY-128454 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.2 OCCCS HY-W090210 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,1,0,0,0,0|1,0,1]=4 112 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.2 CC(O)CC(=O)O HY-113378 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,1,0,0,0,0|2,0,0]=4 120 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.3 CCC(O)C(=O)O HY-113381 [1,1,0,0,0,0|2,0,0]=4 126 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.3 CON(C)C(C)=O HY-W001095 [1,1,0,0,0,0|1,1,0]=4 130 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [1,1,0,0,0,0|2,0,0]=4 131 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.4 CCCCC(N)=O HY-W144037 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.4 CCNCC(=O)O HY-W141879 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|1,1,0]=4 135 B6R0.4 CSCCC(=O)O HY-101401 [1,1,0,0,0,0|1,0,0]=3 136 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.4 NCCCC(=O)O HY-N0067 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.4 NCCCC(=O)O HY-N0067R [1,1,0,0,0,0|2,0,0]=4 139 B6R0.6 C(CO)=CCCC HY-W015936 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.6 CCCCCCO HY-W032022 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.6 CC\C=C/CCO HY-W010607 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.9 CCN(CC)N=O HY-N7434 [1,1,0,0,0,0|1,0,0]=3 143 B8R0.2 COC(=O)C(N)C(C)C HY-W012519 [0,2,0,0,0,0|2,0,0]=4 144 B8R0.2 COC(=O)C(N)C(C)O HY-W008086A [0,2,0,0,0,0|2,0,0]=4 145 B8R0.2 COC(=O)[C@H](N)C(C)C HY-79708A [0,2,0,0,0,0|2,0,0]=4 146 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C HY-W010077 [0,2,0,0,0,0|2,0,0]=4 147 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,2,0,0,0,0|1,0,1]=4 148 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,2,0,0,0,0|2,0,0]=4 149 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,2,0,0,0,0|1,0,0]=3 150 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,2,0,0,0,0|1,0,0]=3 151 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,2,0,0,0,0|1,0,0]=3 152 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,2,0,0,0,0|1,0,0]=3 153 B8R0.5 CCOC(=O)C[N+](=O)[O-] HY-76486 [0,2,0,0,0,0|2,0,0]=4 154 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,2,0,0,0,0|0,1,0]=3 155 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [0,2,0,0,0,0|1,1,0]=4 156 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,2,0,0,0,0|1,0,0]=3 157 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,2,0,0,0,0|1,0,1]=4 158 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,2,0,0,0,0|0,1,1]=4 159 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,2,0,0,0,0|1,0,0]=3 160 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,2,0,0,0,0|2,0,0]=4 161 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,2,0,0,0,0|2,0,0]=4 162 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,2,0,0,0,0|2,0,0]=4 163 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|1,0,1]=4 164 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|0,1,0]=3 165 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|0,0,0]=2 166 B6R1.11 NC(=O)C1CO1 HY-119329 [1,0,0,1,0,0|1,1,0]=4 167 B6R1.11 O=C(O)C1CC1 HY-Y0001 [1,0,0,1,0,0|2,0,0]=4 168 B6R1.1 C1CSCCN1 HY-W007359 [1,0,0,1,0,0|1,0,1]=4 169 B6R1.1 C1CSCSC1 HY-W001189 [1,0,0,1,0,0|1,0,0]=3 170 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|1,0,0]=3 171 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,1,0,0|1,0,0]=3 173 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,1,0,0|2,0,0]=4 174 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,1,0,0|1,0,0]=3 178 B8R1.5 NC1CCCNC1=O HY-21088 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,1,0,1,0,0|2,0,0]=4 180 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,1,0,0|1,0,1]=4 181 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,1,0,1,0,0|1,0,0]=3 182 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,1,0,1,0,0|1,0,0]=3 183 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,1,0,1,0,0|1,0,0]=3 184 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.38 COC(=O)C1CNC1 HY-33615 [0,1,0,1,0,0|2,0,0]=4 186 B8R1.11 CCN1CCCC1=O HY-B1620 [0,1,0,1,0,0|1,0,0]=3 187 B8R1.11 CCN1CCCC1=O HY-B1620B [0,1,0,1,0,0|1,0,0]=3 188 B8R1.11 CCN1CCCC1=O HY-B1620H [0,1,0,1,0,0|1,0,0]=3 189 B8R1.11 CCN1CCCC1=O HY-B1620I [0,1,0,1,0,0|1,0,0]=3 190 B8R1.11 CCN1CCCC1=O HY-B1620J [0,1,0,1,0,0|1,0,0]=3 191 B8R1.11 CCN1CCCC1=O HY-B1620L [0,1,0,1,0,0|1,0,0]=3 192 B8R1.11 CCN1CCCC1=O HY-B1620O [0,1,0,1,0,0|1,0,0]=3 193 B8R1.39 COC(=O)C1(N)CC1 HY-W008219 [0,1,0,1,0,0|2,0,0]=4