0 B7R0.6 C=C(C)CCC(=O)O 0114AA [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 CC(=O)CNC(C)=O 2096AC [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(=O)\C=C\N(C)C 3259AA [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 CC(Br)CCC(C)Br V1473 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CC(C)OCC(=O)O 0549AE [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 CC(C)SSC(C)C W6227 [0,0,0,0,0,0|2,1,1]=4 7 B7R0.6 CC(Cl)CCC(=O)Cl 6146AJ [0,0,0,0,0,0|3,0,0]=3 8 B7R0.6 CC(O)CCC(C)O Q324 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 CN(C)CCN(C)C 2336AA [0,0,0,0,0,0|4,0,0]=4 10 B7R0.6 CP(C)CCP(C)C X1004 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.6 C[C@@H](O)CC[C@@H](C)O 4049AL [0,0,0,0,0,0|2,0,2]=4 12 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,0,0,0,0,0|3,0,0]=3 13 B6R0.4 C=COCC(C)C 8720AJ [1,0,0,0,0,0|0,0,1]=2 14 B6R0.4 CC(C)CN=C=O 6296AD [1,0,0,0,0,0|1,0,1]=3 15 B6R0.4 CCC#CC(C)=O 6057AL [1,0,0,0,0,0|1,0,1]=3 16 B6R0.4 CCCCC(=N)N 1867AA [1,0,0,0,0,0|3,0,0]=4 17 B6R0.4 CCCCC(=N)N 9567AA [1,0,0,0,0,0|3,0,0]=4 18 B6R0.4 CCCNC(N)=O P685 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CCCOC(N)=O 9471AB [1,0,0,0,0,0|1,0,0]=2 20 B6R0.4 CCCSC(C)=O R568 [1,0,0,0,0,0|0,1,0]=2 21 B6R0.4 CCCSC(C)C 8111AL [1,0,0,0,0,0|1,1,1]=4 22 B6R0.4 CCNCC(=O)O X5133 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.4 CSCCC(C)=O L760 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 NC(=O)CCCCl Y1653 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 NCCCC(N)=O 5556AA [1,0,0,0,0,0|3,0,0]=4 26 B8R0.9 CC(=O)OCC(O)CCl Z2712 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.9 CC(C)CNC(=O)CCl 0237AE [0,1,0,0,0,0|1,0,0]=2 28 B8R0.9 CN(C)CCN(C)C=O 3626AL [0,1,0,0,0,0|3,0,0]=4 29 B8R0.9 CNC(=O)CNC(C)=O 4960AH [0,1,0,0,0,0|2,0,1]=4 30 B8R0.23 C=C(C)C(=O)OC(C)C 8106AL [0,1,0,0,0,0|3,0,0]=4 31 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,1,0,0,0,0|1,0,1]=3 32 B8R0.23 CC(C)C(N)CC(=O)O X3317 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.23 CC(C)CC(=O)C(=O)[O-] 5986AC [0,1,0,0,0,0|2,0,0]=3 34 B8R0.23 CC(C)CC(=O)N(C)C 5171AE [0,1,0,0,0,0|3,0,0]=4 35 B8R0.23 CC(C)CC(Br)C(=O)O X2075 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.23 CC(C)CC(N)C(N)=O 4981AH [0,1,0,0,0,0|2,0,0]=3 37 B8R0.23 CC(C)CC(O)C(=O)O C466 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.23 CC(C)C[C@@H](N)C(N)=O V7838 [0,1,0,0,0,0|2,0,0]=3 39 B8R0.23 CC(C)C[C@@H](O)C(=O)O V4198 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Z6036 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.23 CC(C)NC(=O)C(=O)O 9278AD [0,1,0,0,0,0|3,0,0]=4 42 B8R0.23 CC(C)OC(=O)C(C)C 7796AF [0,1,0,0,0,0|1,0,2]=4 43 B8R0.23 CC(C)[C@@H](N)CC(=O)O W6092 [0,1,0,0,0,0|2,0,0]=3 44 B8R0.23 CC(C)[C@H](N)CC(=O)O 1215AL [0,1,0,0,0,0|2,0,0]=3 45 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O W5530 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.29 CC(=O)OCC(F)(F)F 2790AE [0,1,0,0,0,0|2,0,0]=3 47 B8R0.29 CC(=O)OC[Si](C)(C)C 9323AL [0,1,0,0,0,0|0,1,0]=2 48 B8R0.29 CC(C)(C)OCC(=O)O Z4086 [0,1,0,0,0,0|3,0,0]=4 49 B8R0.29 CC(C)CCC(C)(C)O 7991AF [0,1,0,0,0,0|1,0,2]=4 50 B8R0.29 CC(C)CNS(=O)(=O)Cl 6827AJ [0,1,0,0,0,0|3,0,0]=4 51 B8R1.3 CC1COC(C)CN1 Z6902 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3944AJ [0,0,0,1,0,0|2,0,1]=4 53 B8R1.3 O=C1CCC(O)CN1 W4138 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.23 CC(=O)N1CC(O)C1 Z8057 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.23 CC1CC(C(=O)O)C1 W7069 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.23 O=C(O)C1CC(O)C1 W4156 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.35 O=C(O)CCC1CC1 8214AB [0,0,0,1,0,0|2,0,0]=3 58 B8R1.51 CC1(C)CCC(=O)N1 7217AB [0,0,0,1,0,0|2,0,0]=3 59 B8R1.51 CC1(C)CNC(=O)C1 0268AC [0,0,0,1,0,0|1,0,0]=2 60 B8R1.51 CC1CCS(=O)(=O)C1 7323AF [0,0,0,1,0,0|3,0,0]=4 61 B8R1.51 CC1COS(=O)(=O)O1 V6678 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.77 CC1(C)C[C@@H]1C(=O)O Z4170 [0,0,0,1,0,0|2,0,0]=3 63 B6R0.2 CC(=O)NC(C)=O 7247AF [0,0,0,0,1,0|2,0,1]=4 64 B6R0.2 CC(=O)NC(C)C X8984 [0,0,0,0,1,0|1,0,0]=2 65 B6R0.2 CC(C)CC(C)N X3873 [0,0,0,0,1,0|1,0,1]=3 66 B6R0.2 CC(C)NC(N)=O X3415 [0,0,0,0,1,0|2,0,0]=3 67 B6R0.2 CC(C)OC(N)=O 7274AF [0,0,0,0,1,0|1,0,0]=2 68 B6R0.2 CC(Cl)CC(=O)O 7238AF [0,0,0,0,1,0|2,0,0]=3 69 B6R0.2 CC(N)CC(=O)O 3162AL [0,0,0,0,1,0|2,0,0]=3 70 B6R0.2 CC(O)CC(C)O 5338AL [0,0,0,0,1,0|1,0,2]=4 71 B6R0.2 CN(C)CC(N)=S 1262AJ [0,0,0,0,1,0|2,1,0]=4 72 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [0,0,0,0,1,0|2,0,0]=3 73 B6R0.2 C[C@@H](O)C[C@@H](C)O 7396AJ [0,0,0,0,1,0|1,0,2]=4 74 B6R0.2 C[C@H](N)CC(=O)O W5861 [0,0,0,0,1,0|2,0,0]=3 75 B6R0.2 C[C@H](O)C[C@H](C)O 7398AJ [0,0,0,0,1,0|1,0,2]=4 76 B8R0.28 CC(=O)CCCC(C)C 5697AC [0,0,0,0,0,1|1,0,0]=2 77 B8R0.28 CC(=O)CCOC(C)=O 0405AA [0,0,0,0,0,1|1,0,1]=3 78 B8R0.28 CC(=O)OCC=C(C)C 3268AA [0,0,0,0,0,1|0,0,1]=2 79 B8R0.28 CC(=O)OCCN(C)C 6940AA [0,0,0,0,0,1|1,0,0]=2 80 B8R0.28 CC(=O)OCOC(C)=O 9512AB [0,0,0,0,0,1|1,0,1]=3 81 B8R0.28 CC(=O)O[Ca]OC(C)=O 7185AF [0,0,0,0,0,1|2,0,1]=4 82 B8R0.28 CC(=O)O[Fe]OC(C)=O 3281AB [0,0,0,0,0,1|2,0,1]=4 83 B8R0.28 CC(=O)O[Ni]OC(C)=O 7210AF [0,0,0,0,0,1|2,0,1]=4 84 B8R0.28 CC(=O)O[Pd]OC(C)=O 8735AL [0,0,0,0,0,1|2,0,1]=4 85 B8R0.28 CC(=O)\C=C\C=C(C)C 8087AA [0,0,0,0,0,1|1,0,2]=4 86 B8R0.28 CC(=O)\C=C\CC(C)C 2964AL [0,0,0,0,0,1|1,0,0]=2 87 B8R0.28 CC(C)CCCC(C)O 6866AL [0,0,0,0,0,1|1,0,2]=4 88 B8R0.28 CC(C)CCO[N+](=O)[O-] 7332AF [0,0,0,0,0,1|2,0,0]=3 89 B8R0.28 CC(C)COCC(C)C 7669AL [0,0,0,0,0,1|1,0,1]=3 90 B5R0.1 C#CCC(C)C 8172AJ [2,0,0,0,0,0|0,0,2]=4 91 B5R0.1 C=C(C)CCBr Z4377 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.1 C=C(C)CCC 5700AL [2,0,0,0,0,0|1,0,0]=3 93 B5R0.1 CC(C)CCI X5313 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.1 CC(C)CNN Z1645 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.1 CC(C)OC=O 7262AF [2,0,0,0,0,0|0,0,0]=2 96 B5R0.1 CN(C)CC=O 4924AA [2,0,0,0,0,0|1,0,0]=3 97 B5R0.1 CNCC(=O)O 9764AB [2,0,0,0,0,0|2,0,0]=4 98 B5R0.1 CNOC(C)=O 8699AL [2,0,0,0,0,0|1,0,0]=3 99 B5R0.1 COCC(C)=O U020 [2,0,0,0,0,0|1,0,0]=3 100 B5R0.1 COCC(C)N 0442AC [2,0,0,0,0,0|1,0,0]=3 101 B5R0.1 COC[C@@H](C)N W7467 [2,0,0,0,0,0|1,0,0]=3 102 B5R0.1 CSCC(C)=O Y1373 [2,0,0,0,0,0|1,0,0]=3 103 B5R0.1 CSCS(C)=O E772 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.1 NCCC(N)=O 6432AB [2,0,0,0,0,0|2,0,0]=4 105 B5R0.1 O=C(O)CCI 7031AF [2,0,0,0,0,0|2,0,0]=4 106 B5R0.2 CC#CCCC 7448AF [2,0,0,0,0,0|1,0,1]=4 107 B5R0.2 CCCOC=O 8880AL [2,0,0,0,0,0|0,0,0]=2 108 B5R0.2 CCCSSC 8846AJ [2,0,0,0,0,0|1,1,0]=4 109 B5R0.2 N#CCOC=O 7500AL [2,0,0,0,0,0|1,0,1]=4 110 B7R0.2 CCC(=O)CC(C)C 9385AB [1,1,0,0,0,0|1,0,1]=4 111 B7R0.2 CCC(C)OC(C)=O 7525AF [1,1,0,0,0,0|0,0,0]=2 112 B7R0.2 CCC(N)CC(=O)O W4035 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [1,1,0,0,0,0|2,0,0]=4 114 B7R0.2 CNC(C)CC(C)C 2627AF [1,1,0,0,0,0|2,0,0]=4 115 B7R0.2 COC(=O)CC(C)C 8842AJ [1,1,0,0,0,0|2,0,0]=4 116 B7R0.3 C=CCOC(=O)OC Z3261 [1,1,0,0,0,0|0,0,2]=4 117 B7R0.3 CCCCC(=O)CC 7786AF [1,1,0,0,0,0|1,0,0]=3 118 B7R0.3 CCCCC(=O)NN X5269 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.3 CCCNC(=O)CN V6930 [1,1,0,0,0,0|1,0,0]=3 120 B7R0.3 CCCOC(=O)CBr U694 [1,1,0,0,0,0|0,0,0]=2 121 B7R0.3 CCCOC(=O)CC 7524AF [1,1,0,0,0,0|0,0,0]=2 122 B7R0.3 CCOCC(O)CCl 5717AB [1,1,0,0,0,0|1,0,1]=4 123 B7R0.3 COC(=O)CCCN 3563AL [1,1,0,0,0,0|2,0,0]=4 124 B7R0.4 CC(=O)CCCCCl D718 [1,1,0,0,0,0|1,0,0]=3 125 B7R0.4 CCCCSC(C)=O 3195AL [1,1,0,0,0,0|0,1,0]=3 126 B7R0.4 CCCOCC(=O)O 5344AE [1,1,0,0,0,0|1,0,0]=3 127 B7R0.4 CNCCCC(=O)O 2115AA [1,1,0,0,0,0|2,0,0]=4 128 B7R0.4 COCCCC(=O)O 2917AB [1,1,0,0,0,0|2,0,0]=4 129 B7R0.4 NCCCCC(=O)O 9495AB [1,1,0,0,0,0|2,0,0]=4 130 B7R0.4 O=C(O)COCCCl Y5074 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.5 CC(=O)N(C)CCO 4889AD [1,1,0,0,0,0|2,0,0]=4 132 B7R0.5 CCC[C@H](N)C(N)=O Z6420 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.8 CCCCC(C)(C)O 7817AF [1,1,0,0,0,0|1,0,1]=4 134 B7R0.8 CCCOS(C)(=O)=O 8882AL [1,1,0,0,0,0|1,0,0]=3 135 B7R0.8 O=COCC(F)(F)F 5076AL [1,1,0,0,0,0|2,0,0]=4 136 B7R0.9 C=C(C)O[Si](C)(C)C 8100AL [0,1,0,0,1,0|1,1,0]=4 137 B7R0.9 CC(C)(C)NC(N)=O 7334AF [0,1,0,0,1,0|2,0,0]=4 138 B7R0.9 CC(C)=CC(C)(C)C 7955AF [0,1,0,0,1,0|1,0,1]=4 139 B7R0.16 CC(C)=C(C)C(C)C 5174AL [0,1,0,0,1,0|1,0,1]=4 140 B7R0.16 CC(C)C(=O)C(=O)O 1796AC [0,1,0,0,1,0|1,0,1]=4 141 B7R0.16 CC(C)C(C)C(=O)O 6994AA [0,1,0,0,1,0|1,0,0]=3 142 B7R0.16 CC(C)C(N)C(N)=O 3528AF [0,1,0,0,1,0|1,0,0]=3 143 B7R0.16 CC(C)[C@@H](Br)C(=O)O N107 [0,1,0,0,1,0|1,0,0]=3 144 B7R0.16 CC(C)[C@H](Br)C(=O)O M886 [0,1,0,0,1,0|1,0,0]=3 145 B7R0.16 CC(C)[C@H](N)C(N)=O 7258AH [0,1,0,0,1,0|1,0,0]=3 146 B7R0.16 C[C@@H](C(=O)O)N(C)C 1280AL [0,1,0,0,1,0|2,0,0]=4 147 B9R0.1 CCC(C)CCOC(C)=O 6119AL [0,1,0,0,0,1|0,0,0]=2 148 B9R0.1 CCC(C)OCCC(C)=O 6681AL [0,1,0,0,0,1|1,0,0]=3 149 B9R0.53 CC(=O)NC(C)OC(C)C 8305AL [0,1,0,0,0,1|1,0,0]=3 150 B9R0.53 CC(C)C[C@H](N)CC(=O)O X3295 [0,1,0,0,0,1|2,0,0]=4 151 B9R0.56 CC(=O)OCC[N+](C)(C)C 0176AC [0,1,0,0,0,1|1,0,0]=3 152 B9R0.56 CC(C)(C)CNCC(=O)O Y6728 [0,1,0,0,0,1|2,0,0]=4 153 B9R0.56 CC(C)(C)CNCC(=O)O Y6733 [0,1,0,0,0,1|2,0,0]=4 154 B9R0.23 CC(C)C[C@H](N)C(=O)CCl 7883AB [0,2,0,0,0,0|1,0,0]=3 155 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Z5767 [0,2,0,0,0,0|2,0,0]=4 156 B9R0.23 COC(=O)C(=O)CC(C)C X2959 [0,2,0,0,0,0|1,0,0]=3 157 B9R0.43 CCC(COC(C)=O)OC 5685AL [0,2,0,0,0,0|0,0,0]=2 158 B9R0.48 CCOC(=O)CCC(C)C 6706AH [0,2,0,0,0,0|1,0,0]=3 159 B9R0.11 CC(C)CC(C)(N)C(=O)O 6630AH [0,2,0,0,0,0|2,0,0]=4 160 B9R0.11 CC(C)C[C@](C)(N)C(=O)O 7059AH [0,2,0,0,0,0|2,0,0]=4 161 B9R0.39 CNC(CC(C)C)C(=O)O Z5786 [0,2,0,0,0,0|2,0,0]=4 162 B7R1.2 CC1CCC(=O)N1 1659AA [1,0,0,1,0,0|2,0,0]=4 163 B7R1.2 CC1COC(=O)N1 5156AD [1,0,0,1,0,0|1,0,0]=3 164 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [1,0,0,1,0,0|1,0,0]=3 165 B7R1.2 C[C@H]1COC(=O)N1 5440AB [1,0,0,1,0,0|1,0,0]=3 166 B7R1.2 O=C1OCC(Cl)O1 E933 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.3 BrC1CCCOC1 X9769 [1,0,0,1,0,0|1,0,1]=4 168 B7R1.3 CC1COCCN1 W6211 [1,0,0,1,0,0|1,0,1]=4 169 B7R1.3 C[C@@H]1COCCN1 X4857 [1,0,0,1,0,0|1,0,1]=4 170 B7R1.3 C[C@H]1COCCN1 X4748 [1,0,0,1,0,0|1,0,1]=4 171 B7R1.3 NC1CCCOC1 X9447 [1,0,0,1,0,0|1,0,1]=4 172 B7R1.3 N[C@@H]1CCCOC1 5857AA [1,0,0,1,0,0|1,0,1]=4 173 B7R1.3 O=C1CCCNC1 7001AB [1,0,0,1,0,0|2,0,0]=4 174 B7R1.3 O=C1CCCSC1 Z4344 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.3 O=C1CCNCC1 5781AB [1,0,0,1,0,0|2,0,0]=4 176 B7R1.3 O=C1COCCO1 3182AB [1,0,0,1,0,0|1,0,0]=3 177 B7R1.18 CC(=O)C1CCC1 9513AD [1,0,0,1,0,0|1,0,0]=3 178 B9R1.35 CC(=O)N1CCC(O)C1 1505AB [0,0,0,1,0,1|2,0,0]=4 179 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Z2268 [0,0,0,1,0,1|2,0,0]=4 180 B9R1.35 CC(=O)N1CC[C@@H](O)C1 4794AJ [0,0,0,1,0,1|2,0,0]=4 181 B9R1.35 CC(=O)N1CC[C@H](O)C1 V9420 [0,0,0,1,0,1|2,0,0]=4 182 B9R1.49 CN1CCNC(=O)CC1 3270AC [0,0,0,1,0,1|2,0,0]=4 183 B9R1.49 CN1CCNC(=O)CC1 W6867 [0,0,0,1,0,1|2,0,0]=4 184 B9R1.66 CC1(C)CC(=O)CCO1 V2429 [0,0,0,1,0,1|1,0,0]=3 185 B9R1.66 CC1(O)CCOC(=O)C1 I616 [0,0,0,1,0,1|1,0,0]=3 186 B9R1.85 O=C(O)CSCC1CC1 4499AF [0,0,0,1,0,1|1,1,0]=4 187 B9R1.1 COC1CCC(=O)CC1 X9889 [0,1,0,1,0,0|1,0,0]=3 188 B9R1.1 N#CC1CCC(=O)CC1 W5655 [0,1,0,1,0,0|1,0,1]=4 189 B9R1.1 O=C1CCC(CO)CC1 Y8952 [0,1,0,1,0,0|1,0,0]=3 190 B9R1.10 O=C1CCC(F)(F)CC1 X3081 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.82 COC(=O)C1CC(Cl)C1 8033AA [0,1,0,1,0,0|2,0,0]=4 192 B9R1.82 COC(=O)C1CC(N)C1 6340AA [0,1,0,1,0,0|2,0,0]=4 193 B9R1.82 COC(=O)C1CC(O)C1 6687AB [0,1,0,1,0,0|2,0,0]=4 194 B9R1.112 NC(CC1CC1)C(=O)O 7919AA [0,1,0,1,0,0|2,0,0]=4 195 B9R1.137 NC(CC(=O)O)C1CC1 5786AJ [0,1,0,1,0,0|2,0,0]=4 196 B9R1.164 CC1(C)CC(C(=O)O)C1 4278AB [0,1,0,1,0,0|2,0,0]=4 197 B5R0.5 CC(=O)N(C)C B355 [0,0,0,0,2,0|1,0,0]=3 198 B5R0.5 CC(=O)[C@H](C)N 2350AA [0,0,0,0,2,0|1,0,0]=3 199 B5R0.5 CC(C)C(=O)[O-] 7249AF [0,0,0,0,2,0|1,0,0]=3 200 B5R0.5 CC(C)C(C)O 6096AL [0,0,0,0,2,0|0,0,2]=4 201 B5R0.5 CC(C)S(=O)[O-] 4057AH [0,0,0,0,2,0|2,0,0]=4 202 B5R0.5 CC(Cl)C(N)=O 9013AD [0,0,0,0,2,0|2,0,0]=4 203 B5R0.5 CC(N)C(N)=O 9942AE [0,0,0,0,2,0|2,0,0]=4 204 B5R0.5 CC(N)C(N)=O V6080 [0,0,0,0,2,0|2,0,0]=4 205 B5R0.5 CC(O)C(=O)[O-] 7038AF [0,0,0,0,2,0|2,0,0]=4 206 B5R0.5 CC(O)C(=O)[O-] O583 [0,0,0,0,2,0|2,0,0]=4 207 B5R0.5 C[C@@H](N)C(N)=O Z4641 [0,0,0,0,2,0|2,0,0]=4 208 B9R0.55 CC(=O)CCOCC(C)C 6549AL [0,0,0,0,0,2|0,0,0]=2 209 B9R0.55 CC(C)CCCCC(=O)O 5715AC [0,0,0,0,0,2|2,0,0]=4