0 B6R0.1 COC(=O)CCN HY-W007648 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 COC(=O)CCO HY-42569 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 O=C(CCO)O[Na] HY-W095705A [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|1,0,1]=3 4 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 CC(C)=CCO HY-W013035 [1,0,0,0,0,0|0,0,2]=3 6 B5R0.1 CC(N)CC#N HY-W018936 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CC(O)CCO HY-77490A [1,0,0,0,0,0|1,0,0]=2 8 B5R0.1 CN(C)CC=O HY-100061A [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 C[C@@H](O)CCO HY-77490 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.2 C#CCCCO HY-W010642 [1,0,0,0,0,0|0,0,2]=3 11 B5R0.2 CCCSSC HY-N7436 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.2 CCSCCCl HY-W199190 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.2 CC\C=C/CO HY-W030347 [1,0,0,0,0,0|0,0,2]=3 14 B5R0.2 NCCCCO HY-W002041 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.2 OC\C=C/CO HY-W027631 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.2 [N-]=[N+]=NCCO HY-138461 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.3 CCC(=O)CO HY-W005327 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.3 CCC(C)C=O HY-W020678 [1,0,0,0,0,0|0,0,2]=3 19 B5R0.3 NCC(O)CO HY-W002040 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.3 NC[C@@H](O)CCl HY-W108649 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.3 O=C(CO)CO HY-Y0335 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.3 O=CC(O)CO HY-128748 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.3 OC(CBr)CBr HY-W014092 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.3 OCC(O)CO HY-B1659 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.3 OCC(O)CO HY-B1659R [1,0,0,0,0,0|2,0,0]=3 27 B5R0.3 OCC(S)CS HY-B1285 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,1,0,0,0,0|0,0,1]=2 29 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,1,0,0,0,0|0,0,1]=2 30 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,1,0,0,0,0|1,0,1]=3 33 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.5 NC(CCO)C(=O)O HY-W012870 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [0,1,0,0,0,0|2,0,1]=4 42 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,1,0,0,0,0|2,0,1]=4 46 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.10 O=C[C@H](O)[C@H](O)CO HY-116956 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551R [0,1,0,0,0,0|2,0,0]=3 50 B7R0.10 O[C@@H](CS)[C@@H](O)CS HY-15917A [0,1,0,0,0,0|2,1,0]=4 51 B7R0.10 O[C@H](CS)[C@@H](O)CS HY-15916 [0,1,0,0,0,0|2,1,0]=4 52 B7R0.10 O[C@H](CS)[C@H](O)CS HY-15917 [0,1,0,0,0,0|2,1,0]=4 53 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.10 [C@@H](O)(CO)[C@H](O)CO HY-W012846 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.10 [C@H](C)(CC)[C@H](N)CO HY-W015875 [0,1,0,0,0,0|0,0,0]=1 56 B7R0.11 C[N+](C)(CF)CCO HY-107351 [0,1,0,0,0,0|2,0,0]=3 57 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,0|1,0,2]=4 61 B7R1.2 CN1CCC(O)C1 HY-I0708 [0,0,0,1,0,0|1,0,0]=2 62 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.3 BrC1CCOCC1 HY-W003396 [0,0,0,1,0,0|1,0,0]=2 64 B7R1.3 CC1CCOCO1 HY-W111914 [0,0,0,1,0,0|1,0,0]=2 65 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.3 O=C1CCOCC1 HY-76487 [0,0,0,1,0,0|1,0,1]=3 67 B7R1.3 O=C1CCSCC1 HY-W002007 [0,0,0,1,0,0|1,1,1]=4 68 B7R1.3 OC1CCCCC1 HY-Y1217 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,0,0,1,0,0|2,0,1]=4 70 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|1,0,1]=4 71 B4R0.1 CC(C)=NO HY-W008840 [2,0,0,0,0,0|1,0,1]=4 72 B4R0.1 CC(O)CN HY-W015969 [2,0,0,0,0,0|1,0,0]=3 73 B4R0.1 CC(O)CO HY-Y0921 [2,0,0,0,0,0|1,0,0]=3 74 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|0,0,0]=2 75 B4R0.1 C[C@@H](N)CO HY-W010646 [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 C[C@@H](O)CN HY-W002295 [2,0,0,0,0,0|1,0,0]=3 77 B4R0.1 C[C@@H](O)CO HY-Z0031 [2,0,0,0,0,0|1,0,0]=3 78 B4R0.2 BrCCCBr HY-Y1806 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.2 C#CCCO HY-W001947 [2,0,0,0,0,0|0,0,2]=4 80 B4R0.2 CNCCO HY-Y1783 [2,0,0,0,0,0|1,0,0]=3 81 B4R0.2 COCCO HY-139415 [2,0,0,0,0,0|1,0,0]=3 82 B4R0.2 NCCCO HY-Y0139 [2,0,0,0,0,0|1,0,0]=3 83 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|1,0,1]=4 84 B4R0.2 OCCCBr HY-W007337 [2,0,0,0,0,0|1,0,0]=3 85 B4R0.2 OCCCO HY-W017758 [2,0,0,0,0,0|1,0,0]=3 86 B4R0.2 OCCCS HY-W090210 [2,0,0,0,0,0|1,0,0]=3 87 B6R0.2 CC(C)CB(O)O HY-W000978 [1,1,0,0,0,0|1,0,0]=3 88 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|0,0,1]=3 89 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,1,0,0,0,0|0,0,2]=4 90 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|0,0,1]=3 91 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.2 CC(N)CN(C)C HY-32007 [1,1,0,0,0,0|2,0,0]=4 93 B6R0.2 CC(N)CN(C)C HY-32007A [1,1,0,0,0,0|2,0,0]=4 94 B6R0.2 CC(O)CC(=O)O HY-113378 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,1,0,0,0,0|1,0,1]=4 96 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,1,0,0,0,0|1,0,1]=4 97 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,1,0,0,0,0|1,0,1]=4 98 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,1,0,0,0,0|1,0,1]=4 99 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,1,0,0,0,0|1,0,1]=4 101 B6R0.3 CC(C)[C@H](N)CO HY-30167A [1,1,0,0,0,0|0,0,0]=2 102 B6R0.4 CC(C)CCCO HY-W007511 [1,1,0,0,0,0|0,0,0]=2 103 B6R0.4 CN(C)CCCCl HY-W018789 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.5 CC(C)(C)CCO HY-W012977 [1,1,0,0,0,0|0,0,0]=2 105 B6R0.5 CCC[N+](C)(C)C HY-W099930 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.5 C[N+](C)(C)CCBr HY-W011972 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.5 C[N+](C)(C)CCCl HY-B1886 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.5 C[N+](C)(C)CCO HY-16074 [1,1,0,0,0,0|1,0,0]=3 109 B6R0.5 C[N+](C)(C)CCO HY-B1337 [1,1,0,0,0,0|1,0,0]=3 110 B6R0.5 C[N+](C)(C)CCO HY-B1337R [1,1,0,0,0,0|1,0,0]=3 111 B6R0.5 C[N+](C)(C)CCO HY-W039760 [1,1,0,0,0,0|1,0,0]=3 112 B6R0.5 C[N+](C)(C)CCO HY-W127656 [1,1,0,0,0,0|1,0,0]=3 113 B6R0.5 C[N+](C)(C)CCO HY-Y1242 [1,1,0,0,0,0|1,0,0]=3 114 B6R0.5 C[N+](C)(C)CCO HY-Y1242A [1,1,0,0,0,0|1,0,0]=3 115 B6R0.6 BrCCOCCBr HY-W013458 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.6 C#CCOCCO HY-43614 [1,1,0,0,0,0|0,0,2]=4 117 B6R0.6 C(CO)=CCCC HY-W015936 [1,1,0,0,0,0|0,0,1]=3 118 B6R0.6 C=CCCCCO HY-W012995 [1,1,0,0,0,0|0,0,1]=3 119 B6R0.6 CCCCCCO HY-W032022 [1,1,0,0,0,0|0,0,0]=2 120 B6R0.6 CC\C=C/CCO HY-W010607 [1,1,0,0,0,0|0,0,1]=3 121 B6R0.6 ClCCNCCCl HY-Y0881 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.6 NCCCCCN HY-W016750 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.6 NCCCCCO HY-W012971 [1,1,0,0,0,0|0,0,0]=2 124 B6R0.6 NCCOCCN HY-140208 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.6 NCCOCCN HY-140648 [1,1,0,0,0,0|2,0,0]=4 126 B6R0.6 OCCOCCBr HY-141213 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.6 OCCOCCO HY-B1952 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.6 SCCOCCS HY-145485 [1,1,0,0,0,0|1,1,0]=4 129 B6R0.8 CC(N)(CO)CO HY-W017054 [1,1,0,0,0,0|1,0,0]=3 130 B6R0.9 CCN(CC)N=O HY-N7434 [1,1,0,0,0,0|2,0,0]=4 131 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,2,0,0,0,0|0,0,2]=4 132 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,2,0,0,0,0|0,0,2]=4 133 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [0,2,0,0,0,0|0,0,1]=3 134 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [0,2,0,0,0,0|0,0,1]=3 135 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [0,2,0,0,0,0|0,0,1]=3 136 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [0,2,0,0,0,0|0,0,1]=3 137 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC HY-W008464 [0,2,0,0,0,0|1,0,1]=4 138 B8R0.5 CCCC(O)CC(=O)O HY-113836 [0,2,0,0,0,0|1,0,1]=4 139 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,2,0,0,0,0|1,0,1]=4 140 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,2,0,0,0,0|1,0,1]=4 141 B8R0.16 CCN(CC)CC(=O)O HY-W051299 [0,2,0,0,0,0|1,0,1]=4 142 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,2,0,0,0,0|1,0,1]=4 143 B8R0.3 O=CC[C@H](O)[C@H](O)CO HY-77956 [0,2,0,0,0,0|1,0,1]=4 144 B8R0.6 CCCCCC(O)CC HY-W099689 [0,2,0,0,0,0|2,0,0]=4 145 B8R0.11 CCN(CC)CCCO HY-W010383 [0,2,0,0,0,0|1,0,0]=3 146 B8R0.30 C#CC[N+](C)(C)CCO HY-129084 [0,2,0,0,0,0|1,0,1]=4 147 B6R1.2 CN1CCCC1 HY-128383 [1,0,0,1,0,0|2,0,0]=4 148 B6R1.2 F[C@@H]1CCNC1 HY-40421 [1,0,0,1,0,0|2,0,0]=4 149 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|1,0,1]=4 150 B6R1.2 O[C@H]1CCOC1 HY-76476 [1,0,0,1,0,0|1,0,0]=3 151 B6R1.1 C1CSCCN1 HY-W007359 [1,0,0,1,0,0|1,1,0]=4 152 B6R1.1 C1CSCSC1 HY-W001189 [1,0,0,1,0,0|1,1,0]=4 153 B6R1.6 OCC1CNC1 HY-21336 [1,0,0,1,0,0|1,0,0]=3 154 B6R1.6 OCC1COC1 HY-W004925 [1,0,0,1,0,0|1,0,0]=3 155 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,1,0,1,0,0|1,0,1]=4 158 B8R1.2 OCC1CCCCO1 HY-115051 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.2 OCC1CCOCC1 HY-79631 [0,1,0,1,0,0|0,0,0]=2 160 B8R1.3 CN1CCC(O)CC1 HY-W018626 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.3 C[C@H]1CC[C@H](N)CC1 HY-W010538 [0,1,0,1,0,0|1,0,0]=3 162 B8R1.3 NC1CCC(N)CC1 HY-W007732B [0,1,0,1,0,0|2,0,0]=4 163 B8R1.3 N[C@H]1CC[C@H](O)CC1 HY-79722 [0,1,0,1,0,0|1,0,0]=3 164 B8R1.3 OC1COC(O)CO1 HY-W004661 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-41957 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.52 CC[N+]1(C)CCCC1 HY-W127700 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.8 OCCN1CCCC1 HY-W010519 [0,1,0,1,0,0|1,0,0]=3 170 B8R1.11 CN1CCC[C@H]1CO HY-W019679 [0,1,0,1,0,0|1,0,0]=3 171 B8R1.72 C[N+]1(C)CCCCC1 HY-W017448 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.72 C[N+]1([O-])CCOCC1 HY-Y1101B [0,1,0,1,0,0|1,0,0]=3 173 B8R1.72 FC1(F)CCNCC1 HY-W001440 [0,1,0,1,0,0|2,0,0]=4