0 B6R0.4 C=CCCC(=O)O HY-Y0624 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.4 CC(C)CCCO HY-W007511 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 CCCCB(O)O HY-W000932 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 CCCCC(N)=O HY-W144037 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.4 CCNCC(=O)O HY-W141879 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.4 CCOCC(=O)O HY-W027555 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CC\C=C\C(=O)O HY-W061674 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.4 CN(C)CCCCl HY-W018789 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.4 CSCCC(=O)O HY-101401 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.4 C\C=C\CC(=O)O HY-W088501 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.4 N=C(N)SCCN HY-131929 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.4 NCCCC(=O)O HY-N0067 [0,0,0,0,0,0|0,0,0]=0 12 B6R0.4 NCCCC(=O)O HY-N0067R [0,0,0,0,0,0|0,0,0]=0 13 B6R0.4 NC\C=C\C(=O)O HY-100800 [0,0,0,0,0,0|0,0,2]=2 14 B6R0.4 O=CNCC(=O)O HY-128735 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.4 [N-]=[N+]=NCC(=O)O HY-151719 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 C#CCC(=O)O HY-W004784 [1,0,0,0,0,0|0,0,2]=3 17 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|0,0,2]=3 18 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CC(O)CCO HY-77490A [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CCCB(O)O HY-W007470 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 CCSC(=N)N HY-101252 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 C[C@@H](O)CCO HY-77490 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|0,0,2]=3 31 B5R0.1 NCCC(=O)O HY-N0230 [1,0,0,0,0,0|0,0,0]=1 32 B5R0.1 NCCS(=O)O HY-100803 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 NOCC(=O)O HY-107994 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.2 C#CCCCO HY-W010642 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.2 NCCCCO HY-W002041 [1,0,0,0,0,0|0,0,1]=2 37 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,1,0,0,0,0|1,0,0]=2 39 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.2 CN(CC(=O)O)N=O HY-W188178 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,1,0,0,0,0|0,0,0]=1 43 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.3 CCCCC(=O)NN HY-W012890 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.3 COC(=O)CCCBr HY-W004701 [0,1,0,0,0,0|1,0,0]=2 46 B7R0.3 COC(=O)CCCN HY-79594 [0,1,0,0,0,0|0,0,0]=1 47 B7R0.3 O=C(CNCO)O[Na] HY-W018420 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.4 C#CCCCC(=O)O HY-Y0925 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.4 C#CCNCC(=O)O HY-142035 [0,1,0,0,0,0|1,0,1]=3 50 B7R0.4 CCCCCC(C)O HY-W015879 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,1,0,0,0,0|1,0,1]=3 52 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,1,0,0,0,0|1,0,1]=3 53 B7R0.4 NCCCCC(=O)O HY-W015878 [0,1,0,0,0,0|0,0,0]=1 54 B7R0.4 NCCOCC(=O)O HY-140643 [0,1,0,0,0,0|0,0,0]=1 55 B7R0.4 NCCOCC(=O)O HY-140644 [0,1,0,0,0,0|0,0,0]=1 56 B7R0.4 O=C(Cl)CCCCBr HY-43538 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.4 O=C(O)CCCCBr HY-W016456 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.4 O=C(O)COCCBr HY-130163 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.4 O=C(O)COCCS HY-140730 [0,1,0,0,0,0|1,0,0]=2 60 B7R0.4 O=[N+]([O-])OCCCO HY-139566 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [0,1,0,0,0,0|1,0,1]=3 63 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [0,1,0,0,0,0|0,0,2]=3 74 B7R0.5 NC(CCO)C(=O)O HY-W012870 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.5 NC(CCS)C(=O)O HY-W040821 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [0,1,0,0,0,0|0,0,0]=1 77 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [0,1,0,0,0,0|0,0,0]=1 78 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [0,1,0,0,0,0|1,0,0]=2 80 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [0,1,0,0,0,0|1,0,0]=2 82 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [0,1,0,0,0,0|1,0,1]=3 84 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [0,1,0,0,0,0|0,0,0]=1 85 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,1,0,0,0,0|1,0,0]=2 89 B7R0.6 N=C(N)NCC(=O)O HY-W021448 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [0,1,0,0,0,0|0,0,3]=4 91 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [0,1,0,0,0,0|1,0,1]=3 92 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [0,1,0,0,0,0|1,0,1]=3 93 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.6 O=C([O-])CCC(=O)[O-] HY-W105775 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.8 CCCCC(C)(C)O HY-W111893 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.8 CNCCS(=O)(=O)O HY-W098348 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.8 CS(=O)(=O)SCCN HY-120128 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.8 NCCCP(=O)(O)O HY-W105694 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.8 NCCCS(=O)(=O)O HY-14602 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.8 NCCOP(=O)(O)O HY-N5034 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.8 NCCOP(=O)(O)O HY-N5034R [0,1,0,0,0,0|2,0,0]=3 103 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,1,0,0|1,0,2]=4 105 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,0|1,0,0]=2 106 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,0,0,1,0,0|1,0,1]=3 109 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.3 O=C1CCCCN1 HY-W042193 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.3 O=C1CCCCO1 HY-W012997 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.3 O=C1CCOCC1 HY-76487 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.3 O=C1CCSCC1 HY-W002007 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.3 O=C1CNCCN1 HY-20128 [0,0,0,1,0,0|2,0,0]=3 116 B7R1.3 OC1CCCCC1 HY-Y1217 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.14 O=S1(=O)CCCN1 HY-W001194 [0,0,0,1,0,0|1,0,1]=3 118 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,0,0,1,0,0|0,0,0]=1 120 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,0,0,1,0,0|0,0,0]=1 121 B7R1.20 O=C(O)CC1CC1 HY-W010610 [0,0,0,1,0,0|1,0,0]=2 122 B4R0.1 C=CC(=O)O HY-W243303A [2,0,0,0,0,0|0,0,2]=4 123 B4R0.1 C=CC(=O)O HY-W243303C [2,0,0,0,0,0|0,0,2]=4 124 B4R0.1 C=CC(=O)O HY-W243303D [2,0,0,0,0,0|0,0,2]=4 125 B4R0.1 C=CC(=O)O HY-W243303E [2,0,0,0,0,0|0,0,2]=4 126 B4R0.1 C=CC(=O)O HY-W243303O [2,0,0,0,0,0|0,0,2]=4 127 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.1 CC(O)CN HY-W015969 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 C[C@@H](O)CN HY-W002295 [2,0,0,0,0,0|1,0,1]=4 132 B4R0.1 NC(=O)CBr HY-W007330 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.1 NC(=O)CCl HY-W010629 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.1 NC(=O)CI HY-34477 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|0,0,0]=2 136 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|0,0,0]=2 137 B4R0.1 NCC(N)=O HY-Y1123 [2,0,0,0,0,0|1,0,0]=3 138 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|0,0,0]=2 139 B4R0.1 NNC(N)=O HY-Y0470 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|0,0,0]=2 141 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|0,0,0]=2 142 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|1,0,0]=3 143 B4R0.1 O=C(O)[Ba]O HY-Y0827 [2,0,0,0,0,0|2,0,0]=4 144 B4R0.1 O=C(O)[Ca]O HY-W243408C [2,0,0,0,0,0|2,0,0]=4 145 B4R0.1 O=CC(=O)O HY-79494 [2,0,0,0,0,0|1,0,1]=4 146 B4R0.1 O=[13C](O)O[Na] HY-W251598S [2,0,0,0,0,0|2,0,0]=4 147 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|0,0,0]=2 148 B4R0.2 BrCCCBr HY-Y1806 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.2 C#CCCO HY-W001947 [2,0,0,0,0,0|1,0,1]=4 150 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|0,0,1]=3 151 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|2,0,0]=4 152 B4R0.2 CNCCO HY-Y1783 [2,0,0,0,0,0|1,0,1]=4 153 B4R0.2 COCCO HY-139415 [2,0,0,0,0,0|1,0,1]=4 154 B4R0.2 NCCCO HY-Y0139 [2,0,0,0,0,0|0,0,0]=2 155 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|1,0,0]=3 156 B4R0.2 OCCCBr HY-W007337 [2,0,0,0,0,0|1,0,0]=3 157 B4R0.2 OCCCO HY-W017758 [2,0,0,0,0,0|1,0,0]=3 158 B4R0.2 OCCCS HY-W090210 [2,0,0,0,0,0|1,0,0]=3 159 B6R0.1 C=CCC(=O)OC HY-W105369 [1,1,0,0,0,0|0,0,2]=4 160 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,1,0,0,0,0|0,0,0]=2 161 B6R0.1 CCOC(=O)CN HY-76204 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.1 COC(=O)CCN HY-W007648 [1,1,0,0,0,0|0,0,0]=2 163 B6R0.1 COC(=O)CCO HY-42569 [1,1,0,0,0,0|1,0,0]=3 164 B6R0.1 COC(=O)OCCl HY-43384 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.1 O=C(CCO)O[Na] HY-W095705A [1,1,0,0,0,0|1,0,0]=3 166 B6R0.2 CC(C)CB(O)O HY-W000978 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|0,0,0]=2 168 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|0,0,0]=2 170 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,1,0,0,0,0|0,0,0]=2 171 B6R0.2 CC(O)CC(=O)O HY-113378 [1,1,0,0,0,0|0,0,0]=2 172 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,1,0,0,0,0|1,0,0]=3 175 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,1,0,0,0,0|0,0,0]=2 176 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,1,0,0,0,0|0,0,0]=2 177 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,1,0,0,0,0|0,0,0]=2 178 B6R0.3 CC(CBr)C(=O)O HY-W015332 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.3 CC(CN)C(=O)O HY-W012974 [1,1,0,0,0,0|0,0,0]=2 180 B6R0.3 CC(CN)C(=O)O HY-W012974R [1,1,0,0,0,0|0,0,0]=2 181 B6R0.3 CC(CO)C(=O)O HY-113126 [1,1,0,0,0,0|1,0,0]=3 182 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,1,0,0,0,0|0,0,1]=3 183 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,1,0,0,0,0|0,0,1]=3 184 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,1,0,0,0,0|0,0,0]=2 186 B6R0.3 CCC(O)C(=O)O HY-113381 [1,1,0,0,0,0|0,0,0]=2 187 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,1,0,0,0,0|0,0,0]=2 188 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,1,0,0,0,0|0,0,0]=2 190 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [1,1,0,0,0,0|0,0,0]=2 191 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [1,1,0,0,0,0|0,0,0]=2 192 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,1,0,0,0,0|0,0,2]=4 193 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.3 NC(CO)C(=O)O HY-Y0507 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.3 NC(CS)C(=O)O HY-W013651 [1,1,0,0,0,0|1,0,0]=3 196 B6R0.3 NC(CS)C(=O)O HY-W016716 [1,1,0,0,0,0|1,0,0]=3 197 B6R0.3 NCC(N)C(=O)O HY-W013674 [1,1,0,0,0,0|0,0,0]=2 198 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [1,1,0,0,0,0|0,0,0]=2 199 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [1,1,0,0,0,0|0,0,0]=2 200 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [1,1,0,0,0,0|1,0,0]=3 201 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [1,1,0,0,0,0|1,0,0]=3 204 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [1,1,0,0,0,0|1,0,0]=3 205 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [1,1,0,0,0,0|1,0,0]=3 207 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [1,1,0,0,0,0|1,0,0]=3 209 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [1,1,0,0,0,0|1,0,0]=3 210 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [1,1,0,0,0,0|1,0,0]=3 211 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [1,1,0,0,0,0|1,0,0]=3 213 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [1,1,0,0,0,0|1,0,0]=3 214 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [1,1,0,0,0,0|1,0,0]=3 215 B6R0.3 O=C(O)C(=O)CBr HY-19992 [1,1,0,0,0,0|1,0,1]=4 216 B6R0.3 O=C(O)C(O)CO HY-W018035 [1,1,0,0,0,0|1,0,0]=3 217 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [1,1,0,0,0,0|1,0,0]=3 218 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,1,0,0,0,0|0,0,0]=2 219 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [1,1,0,0,0,0|0,0,0]=2 220 B6R0.5 NCCP(=O)(O)O HY-W006371 [1,1,0,0,0,0|1,0,0]=3 221 B6R0.5 NCCS(=O)(=O)O HY-B0351R [1,1,0,0,0,0|1,0,0]=3 222 B6R0.5 NCCS(=O)(=O)S HY-N15156 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.5 O=P(O)(O)CCCl HY-W131845 [1,1,0,0,0,0|2,0,0]=4 224 B6R0.5 O=S(=O)(O)CCO HY-Y0095 [1,1,0,0,0,0|2,0,0]=4 225 B6R0.6 C#CCOCCN HY-116069 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.6 C(CO)=CCCC HY-W015936 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.6 C=CCCCCO HY-W012995 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.6 CCCCCCO HY-W032022 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.6 CCC\C=C\C=O HY-128429 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.6 NCCCCCN HY-W016750 [1,1,0,0,0,0|1,0,1]=4 231 B6R0.6 NCCCCCO HY-W012971 [1,1,0,0,0,0|0,0,1]=3 232 B6R0.6 NCCOCCN HY-140208 [1,1,0,0,0,0|1,0,1]=4 233 B6R0.6 NCCOCCN HY-140648 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.6 OCCOCCBr HY-141213 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.6 OCCOCCO HY-B1952 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.6 [N-]=[N+]=NCCCN HY-151862 [1,1,0,0,0,0|2,0,0]=4 237 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,2,0,0,0,0|1,0,1]=4 238 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,2,0,0,0,0|1,0,1]=4 239 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [0,2,0,0,0,0|1,0,0]=3 240 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [0,2,0,0,0,0|1,0,0]=3 241 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [0,2,0,0,0,0|1,0,0]=3 242 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [0,2,0,0,0,0|1,0,0]=3 243 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-134240 [0,2,0,0,0,0|1,0,0]=3 244 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-W009208 [0,2,0,0,0,0|1,0,0]=3 245 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC HY-W008464 [0,2,0,0,0,0|2,0,0]=4 246 B8R0.5 CCCC(O)CC(=O)O HY-113836 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.16 CCN(CC)CC(=O)O HY-W051299 [0,2,0,0,0,0|2,0,0]=4 249 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,2,0,0,0,0|1,0,1]=4 250 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,2,0,0,0,0|1,0,1]=4 251 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,2,0,0,0,0|1,0,1]=4 252 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,2,0,0,0,0|1,0,0]=3 253 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,2,0,0,0,0|1,0,0]=3 254 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,2,0,0,0,0|1,0,0]=3 255 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,2,0,0,0,0|1,0,0]=3 256 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,2,0,0,0,0|1,0,0]=3 257 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,2,0,0,0,0|1,0,0]=3 258 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,2,0,0,0,0|1,0,0]=3 262 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,2,0,0,0,0|1,0,0]=3 263 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [0,2,0,0,0,0|1,0,1]=4 264 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388 [0,2,0,0,0,0|1,0,1]=4 265 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388R [0,2,0,0,0,0|1,0,1]=4 266 B8R0.23 CN(CC(=O)O)C(=N)N HY-W017462 [0,2,0,0,0,0|1,0,1]=4 267 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [0,2,0,0,0,0|0,0,1]=3 269 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [0,2,0,0,0,0|0,0,1]=3 270 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [0,2,0,0,0,0|0,0,1]=3 271 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [0,2,0,0,0,0|0,0,1]=3 272 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [0,2,0,0,0,0|1,0,1]=4 273 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [0,2,0,0,0,0|1,0,1]=4 274 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] HY-N0666C [0,2,0,0,0,0|1,0,1]=4 275 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-100804 [0,2,0,0,0,0|2,0,0]=4 276 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-W017230 [0,2,0,0,0,0|2,0,0]=4 277 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311 [0,2,0,0,0,0|1,0,1]=4 278 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311R [0,2,0,0,0,0|1,0,1]=4 279 B8R0.23 O=C(O)CC(S)C(=O)O HY-106381 [0,2,0,0,0,0|1,0,1]=4 280 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558R [0,2,0,0,0,0|1,0,1]=4 282 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [0,2,0,0,0,0|0,0,1]=3 284 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [0,2,0,0,0,0|1,0,1]=4 285 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,2,0,0,0,0|0,0,0]=2 286 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,2,0,0,0,0|1,0,1]=4 287 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,2,0,0,0,0|1,0,0]=3 290 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,2,0,0,0,0|1,0,0]=3 291 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,2,0,0,0,0|1,0,0]=3 292 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,2,0,0,0,0|1,0,0]=3 293 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,2,0,0,0,0|1,0,0]=3 294 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,2,0,0,0,0|1,0,0]=3 295 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,2,0,0,0,0|1,0,0]=3 296 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,2,0,0,0,0|1,0,0]=3 297 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,2,0,0,0,0|1,0,0]=3 298 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,2,0,0,0,0|1,0,0]=3 299 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [0,2,0,0,0,0|2,0,0]=4 300 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,2,0,0,0,0|1,0,0]=3 301 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,2,0,0,0,0|1,0,0]=3 302 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,2,0,0,0,0|1,0,0]=3 303 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,2,0,0,0,0|1,0,0]=3 304 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,2,0,0,0,0|1,0,0]=3 305 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [0,2,0,0,0,0|0,0,0]=2 306 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [0,2,0,0,0,0|0,0,0]=2 307 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [0,2,0,0,0,0|0,0,0]=2 308 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [0,2,0,0,0,0|0,0,0]=2 309 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [0,2,0,0,0,0|0,0,0]=2 310 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [0,2,0,0,0,0|0,0,0]=2 311 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [0,2,0,0,0,0|0,0,0]=2 312 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642 [0,2,0,0,0,0|1,0,1]=4 313 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642A [0,2,0,0,0,0|1,0,1]=4 314 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O HY-W336328 [0,2,0,0,0,0|1,0,1]=4 315 B8R0.9 C#CC(N)CCC(=O)O HY-131693A [0,2,0,0,0,0|0,0,0]=2 316 B8R0.9 C=CC(N)CCC(=O)O HY-B0033 [0,2,0,0,0,0|0,0,0]=2 317 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,2,0,0,0,0|1,0,1]=4 318 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,2,0,0,0,0|1,0,1]=4 319 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [0,2,0,0,0,0|0,0,0]=2 320 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [0,2,0,0,0,0|0,0,0]=2 321 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [0,2,0,0,0,0|0,0,1]=3 322 B8R0.25 CCCCS(=O)(=O)O[Na] HY-W017224 [0,2,0,0,0,0|2,0,0]=4 323 B8R0.7 C#CCOCCC(=O)O HY-130504 [0,2,0,0,0,0|1,0,0]=3 324 B8R0.7 CC(=O)NCCCCN HY-113100 [0,2,0,0,0,0|1,0,0]=3 325 B8R0.7 CC(=O)NCCCCN HY-W342604 [0,2,0,0,0,0|1,0,0]=3 326 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.7 COCCOCC(=O)O HY-W1048558A [0,2,0,0,0,0|1,0,0]=3 328 B8R0.7 N=C(N)NCCCCN HY-101238 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.7 NCCOCCC(=O)O HY-140002 [0,2,0,0,0,0|0,0,0]=2 330 B8R0.7 O=C(O)CCOCCO HY-116655 [0,2,0,0,0,0|1,0,0]=3 331 B8R0.7 [N-]=[N+]=NCCCC(=O)O HY-W588704 [0,2,0,0,0,0|0,0,1]=3 332 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,2,0,0,0,0|1,0,0]=3 333 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,2,0,0,0,0|1,0,1]=4 334 B8R0.28 N=C(N)NCCC(=O)O HY-W015828 [0,2,0,0,0,0|0,0,1]=3 335 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [0,2,0,0,0,0|0,0,1]=3 336 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [0,2,0,0,0,0|1,0,0]=3 337 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [0,2,0,0,0,0|1,0,0]=3 338 B8R0.28 O=C(O)CNCC(=O)O HY-W012683 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.29 O=C(O)CCS(=O)(=O)O HY-W251779 [0,2,0,0,0,0|2,0,0]=4 341 B8R0.29 [2H]C([2H])([2H])NCC(=O)O HY-101037S1 [0,2,0,0,0,0|2,0,0]=4 342 B6R1.2 N=C1CCCS1 HY-W015798 [1,0,0,1,0,0|1,1,0]=4 343 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|1,0,1]=4 344 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,1,0,0|0,0,2]=4 345 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|2,0,0]=4 346 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|2,0,0]=4 347 B6R1.2 O=C1NCCN1 HY-W031536 [1,0,0,1,0,0|2,0,0]=4 348 B6R1.11 NC(=O)C1CO1 HY-119329 [1,0,0,1,0,0|2,0,0]=4 349 B6R1.11 O=C(O)C1CC1 HY-Y0001 [1,0,0,1,0,0|0,0,0]=2 350 B6R1.11 OB(O)C1CC1 HY-59219 [1,0,0,1,0,0|1,0,1]=4 351 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|1,0,0]=3 352 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,1,0,0|1,0,1]=4 356 B8R1.51 N[Pt+2]1(N)[O-]CC(=O)[O-]1 HY-13700 [0,1,0,1,0,0|2,0,0]=4 357 B8R1.3 N[C@H]1CC[C@H](O)CC1 HY-79722 [0,1,0,1,0,0|1,0,1]=4 358 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.5 NC1CCCNC1=O HY-21088 [0,1,0,1,0,0|1,0,1]=4 360 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,1,0,1,0,0|1,0,1]=4 361 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,1,0,0|1,0,1]=4 362 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,1,0,1,0,0|1,0,0]=3 365 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,1,0,1,0,0|1,0,0]=3 366 B8R1.38 COC(=O)C1CNC1 HY-33615 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.50 N[C@@H]1CCN(O)C1=O HY-100822 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.50 O=C1CCC(=O)N1O HY-Y0623 [0,1,0,1,0,0|1,0,1]=4 369 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,1,0,1,0,0|0,0,0]=2 375 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [0,1,0,1,0,0|0,0,0]=2 376 B8R1.7 O=C(O)C1CSSC1 HY-50730 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [0,1,0,1,0,0|0,0,1]=3 378 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,1,0,1,0,0|0,0,0]=2 379 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,1,0,1,0,0|0,0,0]=2 380 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,1,0,1,0,0|0,0,0]=2 381 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,1,0,1,0,0|0,0,0]=2 382 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [0,1,0,1,0,0|0,0,0]=2 383 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,1,0,1,0,0|0,0,0]=2 384 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.78 NC1(C(=O)O)CCC1 HY-30006 [0,1,0,1,0,0|1,0,0]=3