0 B6R0.5 CCOS(C)(=O)=O HY-W015854 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.5 NCCP(=O)(O)O HY-W006371 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.5 NCCS(=O)(=O)O HY-B0351R [0,0,0,0,0,0|1,0,0]=1 3 B6R0.5 NCCS(=O)(=O)S HY-N15156 [0,0,0,0,0,0|1,1,0]=2 4 B6R0.5 O=P(O)(O)CCCl HY-W131845 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.5 O=S(=O)(O)CCO HY-Y0095 [0,0,0,0,0,0|0,1,0]=1 6 B5R0.1 C#CCC(=O)O HY-W004784 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|2,1,0]=4 9 B5R0.1 CC(O)CCO HY-77490A [1,0,0,0,0,0|2,1,0]=4 10 B5R0.1 CCCB(O)O HY-W007470 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 C[C@@H](O)CCO HY-77490 [1,0,0,0,0,0|2,1,0]=4 16 B5R0.1 NCCC(=O)O HY-N0230 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 NCCS(=O)O HY-100803 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 NOCC(=O)O HY-107994 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.4 COS(C)(=O)=O HY-W004702 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.4 COS(C)(=O)=O HY-W004702R [1,0,0,0,0,0|2,0,0]=3 21 B5R0.4 O=S(=O)([Na])O[Na] HY-Y0651 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.4 O=S(O)(=[Ba])OO HY-B0560B [1,0,0,0,0,0|2,1,0]=4 23 B5R0.4 O=S(O)(=[Ca])OO HY-W019901B [1,0,0,0,0,0|2,1,0]=4 24 B5R0.4 O=S(O)(=[Mg])OO HY-Y1267 [1,0,0,0,0,0|2,1,0]=4 25 B5R0.4 O=S(O)(=[Mg])OO HY-Y1267D [1,0,0,0,0,0|2,1,0]=4 26 B7R0.8 CNCCS(=O)(=O)O HY-W098348 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.8 CS(=O)(=O)SCCN HY-120128 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.8 NCCCP(=O)(O)O HY-W105694 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.8 NCCCS(=O)(=O)O HY-14602 [0,1,0,0,0,0|1,0,0]=2 30 B7R0.8 NCCOP(=O)(O)O HY-N5034 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.8 NCCOP(=O)(O)O HY-N5034R [0,1,0,0,0,0|2,0,1]=4 32 B7R0.11 CCCS(=O)(=O)O[Na] HY-W097000 [0,1,0,0,0,0|1,0,0]=2 33 B7R0.11 O=S(=O)(CCBr)O[Na] HY-W014355 [0,1,0,0,0,0|1,0,0]=2 34 B7R0.11 O=S(=O)(CCO)O[Na] HY-Y1173 [0,1,0,0,0,0|0,1,0]=2 35 B7R0.11 O=S(=O)(CCS)O[Na] HY-13679 [0,1,0,0,0,0|0,0,0]=1 36 B7R1.14 O=S1(=O)CCCN1 HY-W001194 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.26 O=S(=O)(Cl)C1CC1 HY-W002798 [0,0,0,1,0,0|2,0,0]=3 38 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|2,0,0]=4 39 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|2,0,0]=4 41 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|2,0,0]=4 42 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|2,0,0]=4 44 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|1,1,0]=4 45 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|2,0,0]=4 46 B4R0.2 NCCCO HY-Y0139 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|1,1,0]=4 48 B4R0.2 OCCCBr HY-W007337 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.2 OCCCO HY-W017758 [2,0,0,0,0,0|1,1,0]=4 50 B4R0.2 OCCCS HY-W090210 [2,0,0,0,0,0|1,0,0]=3 51 B4R0.3 CS(C)(=O)=O HY-Y1314 [2,0,0,0,0,0|1,0,0]=3 52 B4R0.3 CS(N)(=O)=O HY-Y0995 [2,0,0,0,0,0|1,0,0]=3 53 B4R0.3 NS(=O)(=O)O HY-W040155 [2,0,0,0,0,0|1,0,0]=3 54 B4R0.3 O=S(=O)([O-])[O-] HY-Y0261AS1 [2,0,0,0,0,0|0,1,1]=4 55 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,1,0,0,0,0|2,0,0]=4 56 B6R0.1 COC(=O)CCN HY-W007648 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.1 COC(=O)CCO HY-42569 [1,1,0,0,0,0|1,1,0]=4 58 B6R0.1 O=C(CCO)O[Na] HY-W095705A [1,1,0,0,0,0|1,1,0]=4 59 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.2 CC(O)CC(=O)O HY-113378 [1,1,0,0,0,0|1,1,0]=4 63 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,1,0,0,0,0|1,1,0]=4 64 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,1,0,0,0,0|1,1,0]=4 66 B6R0.3 CC(CBr)C(=O)O HY-W015332 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.3 CC(CN)C(=O)O HY-W012974 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.3 CC(CN)C(=O)O HY-W012974R [1,1,0,0,0,0|2,0,0]=4 69 B6R0.3 CC(CO)C(=O)O HY-113126 [1,1,0,0,0,0|1,1,0]=4 70 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.3 CCC(O)C(=O)O HY-113381 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.3 NC(CO)C(=O)O HY-Y0507 [1,1,0,0,0,0|1,1,0]=4 77 B6R0.3 NC(CS)C(=O)O HY-W013651 [1,1,0,0,0,0|1,0,0]=3 78 B6R0.3 NC(CS)C(=O)O HY-W016716 [1,1,0,0,0,0|1,0,0]=3 79 B6R0.3 NCC(N)C(=O)O HY-W013674 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [1,1,0,0,0,0|1,1,0]=4 83 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [1,1,0,0,0,0|1,1,0]=4 85 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [1,1,0,0,0,0|1,1,0]=4 86 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [1,1,0,0,0,0|1,1,0]=4 87 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [1,1,0,0,0,0|1,0,0]=3 88 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [1,1,0,0,0,0|1,0,0]=3 89 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [1,1,0,0,0,0|1,0,0]=3 90 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [1,1,0,0,0,0|1,0,0]=3 91 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [1,1,0,0,0,0|1,0,0]=3 92 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [1,1,0,0,0,0|2,0,0]=4 93 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [1,1,0,0,0,0|1,1,0]=4 94 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [1,1,0,0,0,0|1,0,0]=3 95 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [1,1,0,0,0,0|1,0,0]=3 96 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [1,1,0,0,0,0|1,0,0]=3 97 B6R0.3 O=C(O)C(O)CO HY-W018035 [1,1,0,0,0,0|1,1,0]=4 98 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [1,1,0,0,0,0|2,0,0]=4 100 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.4 CCNCC(=O)O HY-W141879 [1,1,0,0,0,0|2,0,0]=4 102 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.4 CSCCC(=O)O HY-101401 [1,1,0,0,0,0|1,0,0]=3 104 B6R0.4 NCCCC(=O)O HY-N0067 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.4 NCCCC(=O)O HY-N0067R [1,1,0,0,0,0|2,0,0]=4 106 B6R0.8 O=S(=O)(O[Na])O[Na] HY-W019877 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.8 O=S(=O)(O[Na])O[Na] HY-Y0317H [1,1,0,0,0,0|2,0,0]=4 108 B8R0.25 CCCCS(=O)(=O)O[Na] HY-W017224 [0,2,0,0,0,0|1,0,0]=3 109 B8R0.29 O=C(O)CCS(=O)(=O)O HY-W251779 [0,2,0,0,0,0|0,1,0]=3 110 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|2,0,0]=4 111 B6R1.11 O=C(O)C1CC1 HY-Y0001 [1,0,0,1,0,0|2,0,0]=4