0 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(N)CCC(=O)O MC435302 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.6 CN(C)CCC(=O)O CS12169 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.6 O=C(O)C#CC(=O)O MC20681 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.6 O=C(O)CC[N+](=O)[O-] MC442448 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.4 C#CCCC(=O)Cl MC106035 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.4 C#CCCC(=O)O MC428029 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.4 C#CCCC(N)=O MC106194 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 C=CCCC(=O)O CS15216 [1,0,0,0,0,0|0,0,1]=2 13 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,0,0,0,0,0|0,0,3]=4 14 B6R0.4 CC(=O)CCCBr CS10305 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.4 CC(=O)CCCCl CS10334 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.4 CC(=O)NCCCl MC33011 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CC(C)CCC=O MC428026 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.4 CC(C)CCCO MC428025 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.4 N#CCCC(=O)O CS22262 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.4 NCCCC(=O)O CS14998 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.4 NCCCC(N)=O MC112262 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 O=C(O)CCCBr CS14053 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,1,0,0,0,0|0,0,0]=1 27 B8R0.9 COC(=O)CCS(=O)[O-] CS11954 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,1,0,0,0,0|0,0,0]=1 29 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,1,0,0,0,0|0,0,0]=1 30 B8R0.9 O=C(O)CNC(=O)CCl MC436845 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,1,0,0,0,0|1,0,0]=2 32 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.23 CC(=O)NC(C)C(N)=O MC436017 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,1,0,0,0,0|1,0,1]=3 38 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,1,0,0,0,0|1,0,1]=3 39 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.23 CC(NC(=N)N)C(=O)O MC435604 [0,1,0,0,0,0|3,0,0]=4 50 B8R0.23 CC(NC(N)=O)C(=O)O MC436835 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,1,0,0,0,0|1,0,0]=2 52 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,1,0,0,0,0|1,0,0]=2 53 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,1,0,0,0,0|1,0,0]=2 54 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.23 NC(=O)CC(N)C(N)=O MC436234 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MC439204 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.23 O=C(O)CC(O)C(=O)O CS11286 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.23 O=C(O)CC(O)C(=O)O MC20429 [0,1,0,0,0,0|1,0,0]=2 61 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.29 NS(=O)(=O)CCC(=O)O CS14468 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.29 O=C(O)CCC(F)(F)F CS22479 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,1,0,0|1,0,0]=2 70 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,1,0,0|1,0,0]=2 71 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,0,0,1,0,0|1,0,1]=3 72 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,0,0,1,0,0|1,0,0]=2 73 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,0,0,1,0,0|1,0,1]=3 74 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,0,0,1,0,0|1,0,1]=3 75 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,0,0,1,0,0|1,0,1]=3 76 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,0,0,1,0,0|1,0,1]=3 78 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,0,0,1,0,0|1,0,1]=3 79 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,0,0,1,0,0|1,0,1]=3 80 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,0,0,1,0,0|1,0,1]=3 81 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,0,0,1,0,0|1,0,1]=3 82 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,0,0,1,0,0|1,0,1]=3 83 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,0,0,1,0,0|1,0,1]=3 84 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,0,0,1,0,0|0,0,2]=3 85 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,0,0,1,0,0|0,0,2]=3 86 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,0,0,1,0,0|0,0,2]=3 87 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,0,0,1,0,0|0,0,0]=1 88 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,0,0,1,0,0|1,0,0]=2 89 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,0,1,0,0|1,0,1]=3 90 B8R1.51 O=C1CCS(=O)(=O)C1 CS20460 [0,0,0,1,0,0|1,0,1]=3 91 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,0,0,1,0,0|1,0,1]=3 92 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.77 O=C(O)C1CC1(F)Cl MC425307 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.77 O=C(O)C1CC1(F)F MC429774 [0,0,0,1,0,0|2,0,1]=4 95 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,0,0,1,0|2,0,1]=4 96 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,0,0,1,0|1,0,1]=3 97 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,1,0|1,0,1]=3 98 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,0,0,1,0|1,0,1]=3 99 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,0,0,1,0|1,0,1]=3 100 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,0,0,1,0|1,0,1]=3 101 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,0,0,1,0|0,0,2]=3 102 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,0,0,1,0|0,0,2]=3 103 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,0,0,1,0|0,0,3]=4 104 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,1,0|2,0,0]=3 105 B6R0.2 NC(=O)CC(N)=O CS11565 [0,0,0,0,1,0|2,0,0]=3 106 B6R0.2 NC(=O)C[N+](=O)[O-] MC442348 [0,0,0,0,1,0|2,0,1]=4 107 B6R0.2 NC(=O)NC(N)=O CS11485 [0,0,0,0,1,0|3,0,0]=4 108 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,0,0,0,1,0|1,1,1]=4 109 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,0,0,0,1,0|1,1,1]=4 110 B6R0.2 O=C(O)CC(=O)O MC41922 [0,0,0,0,1,0|1,0,0]=2 111 B6R0.2 O=C(O)CC(=O)O MC41938 [0,0,0,0,1,0|1,0,0]=2 112 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,0,0,0,0,1|2,0,0]=3 113 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,0,0,0,0,1|2,0,1]=4 114 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,0,0,0,0,1|2,0,1]=4 115 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,0,0,0,0,1|2,0,1]=4 116 B8R0.28 NC(=O)NCCC(=O)O MC436834 [0,0,0,0,0,1|1,0,0]=2 117 B8R0.28 O=C(O)CCCC(=O)O MC20876 [0,0,0,0,0,1|1,0,0]=2 118 B8R0.28 O=C(O)COCC(O)=S MC445127 [0,0,0,0,0,1|1,0,1]=3 119 B5R0.1 C=C(C)CCBr CS14513 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.1 CC#CC(=O)O MC20776 [2,0,0,0,0,0|0,0,2]=4 121 B5R0.1 CC(=O)\C=N\O CS11520 [2,0,0,0,0,0|1,0,1]=4 122 B5R0.1 CC(=O)\C=N\O CS18968 [2,0,0,0,0,0|1,0,1]=4 123 B5R0.1 CC(C)CC=O CS11530 [2,0,0,0,0,0|1,0,1]=4 124 B5R0.1 CC(N)CCO CS14355 [2,0,0,0,0,0|1,0,1]=4 125 B5R0.1 CC(N)CCO CS14356 [2,0,0,0,0,0|1,0,1]=4 126 B5R0.1 CC(N)CCO CS22096 [2,0,0,0,0,0|1,0,1]=4 127 B5R0.1 CCCB(O)O CS14802 [2,0,0,0,0,0|1,0,1]=4 128 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|0,0,1]=3 129 B5R0.1 CCC[N+](=O)[O-] MC428297 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.1 CN(C)CC=O CS17734 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 CN(C)CCO CS11733 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|1,0,0]=3 133 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|1,0,0]=3 136 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 C\C=C\C(=O)O MC41882 [2,0,0,0,0,0|0,0,1]=3 140 B5R0.1 N#CCC(=O)O MC41881 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|1,0,0]=3 142 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|0,0,1]=3 144 B5R0.2 CNCCCO CS14200 [2,0,0,0,0,0|1,0,1]=4 145 B5R0.2 COCCCO CS20039 [2,0,0,0,0,0|1,0,1]=4 146 B5R0.2 O=CNNC=O CS20491 [2,0,0,0,0,0|2,0,0]=4 147 B7R0.2 COC(=O)CC(=O)O CS13436 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.2 NCC(O)CC(=O)O CS16710 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.3 C#CCCC(=O)OC MC424002 [1,1,0,0,0,0|0,0,2]=4 150 B7R0.3 C=CCOC(=O)CCl MC428296 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.3 COC(=O)CCC=O MC21172 [1,1,0,0,0,0|0,0,0]=2 152 B7R0.3 COC(=O)CCCBr MC427387 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.3 COC(=O)CCCN MC439309 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.3 COCCC(=O)NN MC111753 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.4 C#CCCCC(=O)O CS14686 [1,1,0,0,0,0|0,0,2]=4 156 B7R0.4 C=CCNCC(=O)O MC439317 [1,1,0,0,0,0|0,0,1]=3 157 B7R0.4 CC(=O)CCCCBr CS10627 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.4 CCCOCC(=O)O MC425744 [1,1,0,0,0,0|0,0,1]=3 159 B7R0.4 NCCCCC(=O)O MC428108 [1,1,0,0,0,0|0,0,1]=3 160 B7R0.4 NCCNCC(=O)O MC436179 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.4 O=C(O)CCCCBr MC41866 [1,1,0,0,0,0|0,0,1]=3 162 B7R0.5 C#CCC(N)C(=O)O CS13900 [1,1,0,0,0,0|0,0,2]=4 163 B7R0.5 C#CCC(N)C(=O)O MC21037 [1,1,0,0,0,0|0,0,2]=4 164 B7R0.5 C#CCC(N)C(=O)O MC438112 [1,1,0,0,0,0|0,0,2]=4 165 B7R0.5 C=CCC(N)C(=O)O MC439179 [1,1,0,0,0,0|0,0,1]=3 166 B7R0.5 CCCC(N)C(=O)O CS10518 [1,1,0,0,0,0|0,0,1]=3 167 B7R0.5 CCCC(N)C(=O)O CS17028 [1,1,0,0,0,0|0,0,1]=3 168 B7R0.5 CCCC(N)C(=O)O MC439125 [1,1,0,0,0,0|0,0,1]=3 169 B7R0.5 CCCC(N)C(N)=O MC438024 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.5 COCC(N)C(=O)O CS12183 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.5 COCC(N)C(=O)O CS16755 [1,1,0,0,0,0|1,0,0]=3 172 B7R0.5 COCC(N)C(=O)O CS20335 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.5 CSCC(N)C(=O)O MC439293 [1,1,0,0,0,0|1,0,0]=3 174 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.5 N#CCC(N)C(=O)O MC436869 [1,1,0,0,0,0|1,0,1]=4 177 B7R0.5 NC(CCO)C(=O)O CS13886 [1,1,0,0,0,0|0,0,2]=4 178 B7R0.5 NC(CCO)C(=O)O CS16701 [1,1,0,0,0,0|0,0,2]=4 179 B7R0.5 NC(CCO)C(=O)O CS22620 [1,1,0,0,0,0|0,0,2]=4 180 B7R0.5 NCCC(N)C(=O)O CS13874 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.5 NCCC(N)C(=O)O CS15080 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.5 NCCC(N)C(=O)O MC436921 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.5 NCCC(N)C(=O)O MC439091 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.5 NCCC(N)C(=O)O MC439321 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.5 NCCC(O)C(=O)O CS15496 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.5 NCCC(O)C(=O)O CS21759 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.8 CCCCS(=O)(=O)O MC32078 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,1,0,0,1,0|1,0,1]=4 189 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,1,0,0,1,0|1,0,1]=4 190 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,1,0,0,1,0|1,0,1]=4 191 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [0,1,0,0,1,0|2,0,0]=4 192 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,1,0,0,1,0|1,0,1]=4 193 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,1,0,0,1,0|1,0,1]=4 194 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,1,0,0,1,0|1,0,1]=4 195 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,1,0,0,1,0|1,0,1]=4 196 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,1,0,0,1,0|1,0,1]=4 197 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,1,0,0,1,0|1,0,1]=4 198 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,1,0,0,1,0|1,0,1]=4 199 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,1,0,0,1,0|1,0,1]=4 200 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,1,0,0,1,0|0,0,2]=4 201 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,1,0,0,1,0|0,0,2]=4 202 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,1,0,0,1,0|0,0,2]=4 203 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,1,0,0,1,0|0,0,2]=4 204 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,1,0,0,1,0|0,0,2]=4 205 B7R0.16 NC(=O)C(N)C(N)=O CS14640 [0,1,0,0,1,0|2,0,0]=4 206 B9R0.1 NCC(=O)NCCC(=O)O MC435044 [0,1,0,0,0,1|0,0,0]=2 207 B9R0.7 C=C(C)CCC(N)C(=O)O MC435324 [0,1,0,0,0,1|1,0,0]=3 208 B9R0.7 C=C(C)CCC(N)C(=O)O MC435325 [0,1,0,0,0,1|1,0,0]=3 209 B9R0.7 CC(=O)OCC(N)C(=O)O MC428251 [0,1,0,0,0,1|0,0,0]=2 210 B9R0.7 CC(=O)OCC(N)C(=O)O MC438163 [0,1,0,0,0,1|0,0,0]=2 211 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,1,0,0,0,1|1,0,1]=4 212 B9R0.7 CS(=O)CCC(N)C(=O)O MC437958 [0,1,0,0,0,1|1,0,0]=3 213 B9R0.7 NC(=O)C(N)CCC(=O)O MC437667 [0,1,0,0,0,1|1,0,0]=3 214 B9R0.7 NC(=O)C(N)CCC(=O)O MC437668 [0,1,0,0,0,1|1,0,0]=3 215 B9R0.7 NC(=O)CCC(N)C(=O)O MC437648 [0,1,0,0,0,1|1,0,0]=3 216 B9R0.7 NC(=O)CCC(N)C(=O)O MC437649 [0,1,0,0,0,1|1,0,0]=3 217 B9R0.7 NC(=O)CCC(N)C(N)=O MC437652 [0,1,0,0,0,1|2,0,0]=4 218 B9R0.7 NC(=O)CCC(N)C(N)=O MC437653 [0,1,0,0,0,1|2,0,0]=4 219 B9R0.7 NC(=O)NCC(N)C(=O)O MC436167 [0,1,0,0,0,1|1,0,0]=3 220 B9R0.7 NC(=O)SCC(N)C(=O)O MC436904 [0,1,0,0,0,1|1,0,0]=3 221 B9R0.7 NC(CCC(=O)O)C(=O)O CS14946 [0,1,0,0,0,1|1,0,0]=3 222 B9R0.7 NC(CCC(=O)O)C(=O)O CS15295 [0,1,0,0,0,1|1,0,0]=3 223 B9R0.7 NC(CCC(=O)O)C(=O)O MC437662 [0,1,0,0,0,1|1,0,0]=3 224 B9R0.7 NC(CCC(=O)O)C(=O)O MC437663 [0,1,0,0,0,1|1,0,0]=3 225 B9R0.7 O=C(O)CCC(=O)C(=O)O CS14149 [0,1,0,0,0,1|1,0,0]=3 226 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MC113891 [0,1,0,0,0,1|1,0,1]=4 227 B9R0.53 CC(C)CC(C)CC(=O)O MC112321 [0,1,0,0,0,1|1,0,1]=4 228 B9R0.53 CC(C)CC(N)CC(=O)O CS19014 [0,1,0,0,0,1|1,0,1]=4 229 B9R0.53 CC(C)CC(N)CC(=O)O MC439109 [0,1,0,0,0,1|1,0,1]=4 230 B9R0.53 NC(CC(=O)O)CC(=O)O MC439301 [0,1,0,0,0,1|1,0,0]=3 231 B9R0.21 COC(=O)CCC(C)(C)N MC112459 [0,2,0,0,0,0|1,0,1]=4 232 B9R0.23 C=C(NC(C)=O)C(=O)OC MC425406 [0,2,0,0,0,0|1,0,1]=4 233 B9R0.23 CCC(C)C(N)CC(=O)O MC439106 [0,2,0,0,0,0|1,0,1]=4 234 B9R0.23 CN(CC(=O)O)C(=O)CN MC439432 [0,2,0,0,0,0|1,0,0]=3 235 B9R0.23 CNC(=O)C(C)NC(C)=O MC436016 [0,2,0,0,0,0|2,0,0]=4 236 B9R0.23 COC(=O)C(=O)CC(C)=O MC446700 [0,2,0,0,0,0|0,0,1]=3 237 B9R0.23 COC(=O)C(C)NC(C)=O MC436018 [0,2,0,0,0,0|1,0,0]=3 238 B9R0.23 COC(=O)C(C)NC(C)=O MC436019 [0,2,0,0,0,0|1,0,0]=3 239 B9R0.23 COC(=O)C(N)CC(=O)O MC436253 [0,2,0,0,0,0|0,0,0]=2 240 B9R0.23 COC(=O)C(N)CC(=O)O MC436254 [0,2,0,0,0,0|0,0,0]=2 241 B9R0.23 COC(=O)C(N)CC(=O)O MC436255 [0,2,0,0,0,0|0,0,0]=2 242 B9R0.23 COC(=O)C(N)CC(=O)O MC436271 [0,2,0,0,0,0|0,0,0]=2 243 B9R0.23 COC(=O)C(N)CC(C)C CS22260 [0,2,0,0,0,0|1,0,1]=4 244 B9R0.23 COC(=O)C(N)CC(C)C MC437840 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.23 COC(=O)C(N)CC(C)C MC437841 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.23 COC(=O)C(N)CC(N)=O MC436238 [0,2,0,0,0,0|1,0,0]=3 247 B9R0.24 COC(=O)C#CC(=O)OC CS11256 [0,2,0,0,0,0|0,0,2]=4 248 B9R0.24 COC(=O)CCS(=O)OC MC425069 [0,2,0,0,0,0|1,0,0]=3 249 B9R0.24 COC(=O)CNC(=O)CN MC439205 [0,2,0,0,0,0|1,0,0]=3 250 B9R0.42 COC(=O)CC(=O)C(=O)O MC442592 [0,2,0,0,0,0|0,0,1]=3 251 B9R0.42 COC(=O)CC(N)C(=O)O CS13817 [0,2,0,0,0,0|0,0,0]=2 252 B9R0.42 COC(=O)CC(N)C(=O)O CS22944 [0,2,0,0,0,0|0,0,0]=2 253 B9R0.42 COC(=O)CC(N)C(=O)O MC436270 [0,2,0,0,0,0|0,0,0]=2 254 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,2,0,0,0,0|1,0,1]=4 255 B9R0.48 CCOC(=O)CCC(=O)Cl MC40471 [0,2,0,0,0,0|1,0,0]=3 256 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,2,0,0,0,0|0,0,0]=2 257 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MC442447 [0,2,0,0,0,0|1,0,1]=4 258 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,2,0,0,0,0|1,0,0]=3 259 B9R0.10 CC(C)(C)C(N)CC(=O)O CS20286 [0,2,0,0,0,0|1,0,1]=4 260 B9R0.10 CN(CC(=O)O)S(C)(=O)=O MC443410 [0,2,0,0,0,0|2,0,0]=4 261 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl CS21206 [0,2,0,0,0,0|2,0,0]=4 262 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS19959 [0,2,0,0,0,0|1,0,0]=3 263 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437916 [0,2,0,0,0,0|1,0,1]=4 264 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437918 [0,2,0,0,0,0|1,0,1]=4 265 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437919 [0,2,0,0,0,0|1,0,1]=4 266 B9R0.39 CC(=O)NC(CS)C(=O)O CS19200 [0,2,0,0,0,0|1,0,0]=3 267 B9R0.39 CC(=O)NC(CS)C(N)=O MC10785 [0,2,0,0,0,0|2,0,0]=4 268 B9R0.39 CCC(NC(C)=O)C(=O)O MC428063 [0,2,0,0,0,0|1,0,0]=3 269 B9R0.39 CCC(NC(C)=O)C(=O)O MC439247 [0,2,0,0,0,0|1,0,0]=3 270 B9R0.39 CNC(CC(=O)O)C(=O)O MC437899 [0,2,0,0,0,0|1,0,0]=3 271 B9R0.39 CNC(CC(=O)O)C(=O)O MC437900 [0,2,0,0,0,0|1,0,0]=3 272 B9R0.39 CNC(CC(=O)O)C(=O)O MC446678 [0,2,0,0,0,0|1,0,0]=3 273 B9R0.39 CNC(CC(C)C)C(=O)O MC435478 [0,2,0,0,0,0|1,0,1]=4 274 B9R0.39 CNC(CC(C)C)C(=O)O MC437917 [0,2,0,0,0,0|1,0,1]=4 275 B9R0.39 CNC(CC(C)C)C(=O)O MC437920 [0,2,0,0,0,0|1,0,1]=4 276 B9R0.39 CNC(CC(N)=O)C(=O)O MC435534 [0,2,0,0,0,0|1,0,0]=3 277 B9R0.57 CC(C)(C)CC(N)C(=O)O MC100406 [0,2,0,0,0,0|1,0,1]=4 278 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436788 [0,2,0,0,0,0|1,0,1]=4 279 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436789 [0,2,0,0,0,0|1,0,1]=4 280 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MC428071 [0,2,0,0,0,0|2,0,0]=4 281 B9R0.79 CC(C(=O)O)C(N)C(=O)O MC20536 [0,2,0,0,0,0|1,0,0]=3 282 B9R0.79 CC(C)C(O)C(N)C(=O)O MC116178 [0,2,0,0,0,0|1,0,1]=4 283 B9R0.79 O=C(O)C(O)C(O)C(=O)O CS11193 [0,2,0,0,0,0|1,0,0]=3 284 B9R0.79 O=C(O)C(O)C(O)C(=O)O CS19386 [0,2,0,0,0,0|1,0,0]=3 285 B9R0.79 O=C(O)C(O)C(O)C(=O)O MC21114 [0,2,0,0,0,0|1,0,0]=3 286 B9R0.79 O=C(O)C(O)C(O)C(=O)O MC426007 [0,2,0,0,0,0|1,0,0]=3 287 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,1,0,0|1,0,0]=3 288 B7R1.2 CC1=CC(=O)CO1 MC429080 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.2 CC1=NNC(=O)O1 CS10427 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.2 CC1=NSC(=O)O1 MC42245 [1,0,0,1,0,0|2,0,0]=4 291 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|1,0,1]=4 292 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.2 O=C1CC(O)CN1 CS14706 [1,0,0,1,0,0|1,0,1]=4 294 B7R1.2 O=C1CC(O)CN1 CS16472 [1,0,0,1,0,0|1,0,1]=4 295 B7R1.2 O=C1CCC(=O)N1 MC41707 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.2 O=C1CCC(I)C1 MC115016 [1,0,0,1,0,0|1,0,1]=4 297 B7R1.2 O=C1CNC(=O)C1 MC116520 [1,0,0,1,0,0|1,0,0]=3 298 B7R1.2 O=C1CSC(=O)N1 CS22526 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,1]=4 300 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|0,0,1]=3 301 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|1,0,1]=4 302 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|1,0,1]=4 303 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|0,0,1]=3 304 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|1,0,1]=4 308 B7R1.3 O=C1COCCN1 CS11697 [1,0,0,1,0,0|1,0,1]=4 309 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|1,0,1]=4 310 B7R1.10 NCC1CC(=O)C1 MC444212 [1,0,0,1,0,0|1,0,1]=4 311 B7R1.10 O=C1CC(CO)C1 MC113039 [1,0,0,1,0,0|0,0,1]=3 312 B7R1.12 CC1CC1C(=O)O MC100841 [1,0,0,1,0,0|0,0,1]=3 313 B7R1.12 CC1CC1C(=O)O MC103281 [1,0,0,1,0,0|0,0,1]=3 314 B7R1.12 CC1CC1C(N)=O MC425328 [1,0,0,1,0,0|1,0,1]=4 315 B7R1.12 O=C(O)C1CC1Br MC430635 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.12 O=C(O)C1CC1F MC21162 [1,0,0,1,0,0|1,0,1]=4 317 B7R1.12 O=C(O)C1CC1F MC425300 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.12 O=C(O)C1CC1F MC425301 [1,0,0,1,0,0|1,0,1]=4 319 B7R1.12 O=C(O)C1CC1F MC425302 [1,0,0,1,0,0|1,0,1]=4 320 B7R1.12 O=C(O)C1CC1F MC425316 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.12 O=C(O)C1CC1I MC102749 [1,0,0,1,0,0|1,0,1]=4 322 B7R1.12 O=C(O)C1CC1I MC425298 [1,0,0,1,0,0|1,0,1]=4 323 B7R1.18 NC(=O)C1CNC1 MC10515 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.18 NC(=O)C1CNC1 MC10516 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,1,0,0|0,0,1]=3 326 B7R1.18 O=C(O)C1CCN1 CS16493 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.18 O=C(O)C1CCN1 CS16972 [1,0,0,1,0,0|1,0,1]=4 328 B7R1.18 O=C(O)C1CCN1 CS18844 [1,0,0,1,0,0|1,0,1]=4 329 B7R1.18 O=C(O)C1CCN1 MC436280 [1,0,0,1,0,0|1,0,1]=4 330 B7R1.18 O=C(O)C1CCO1 MC115721 [1,0,0,1,0,0|0,0,2]=4 331 B7R1.18 O=C(O)C1CNC1 CS16485 [1,0,0,1,0,0|1,0,0]=3 332 B7R1.18 O=C(O)C1COC1 CS22389 [1,0,0,1,0,0|1,0,0]=3 333 B7R1.18 O=C(O)C1CSC1 MC100118 [1,0,0,1,0,0|1,0,0]=3 334 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|0,0,1]=3 335 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,0,0,1,0,1|1,0,1]=4 336 B9R1.35 CN1CCC(C(=O)O)C1 CS18297 [0,0,0,1,0,1|2,0,0]=4 337 B9R1.35 CN1CCC(C(=O)O)C1 MC103798 [0,0,0,1,0,1|2,0,0]=4 338 B9R1.35 CN1CCC(C(=O)O)C1 MC104573 [0,0,0,1,0,1|2,0,0]=4 339 B9R1.35 CN1CCC(C(=O)O)C1 MC444131 [0,0,0,1,0,1|2,0,0]=4 340 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,0,0,1,0,1|1,0,1]=4 341 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,0,0,1,0,1|1,0,1]=4 342 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,0,0,1,0,1|1,0,1]=4 343 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,0,0,1,0,1|1,0,1]=4 344 B9R1.35 O=C(O)C1CC(Br)=NO1 MC103251 [0,0,0,1,0,1|2,0,0]=4 345 B9R1.35 O=C(O)C1CC(F)CN1 MC104337 [0,0,0,1,0,1|1,0,1]=4 346 B9R1.35 O=C(O)C1CC(F)CN1 MC113882 [0,0,0,1,0,1|1,0,1]=4 347 B9R1.35 O=C(O)C1CC(F)CN1 MC437016 [0,0,0,1,0,1|1,0,1]=4 348 B9R1.35 O=C(O)C1CC(F)CN1 MC437017 [0,0,0,1,0,1|1,0,1]=4 349 B9R1.35 O=C(O)C1CC(F)CN1 MC444013 [0,0,0,1,0,1|1,0,1]=4 350 B9R1.35 O=C(O)C1CC(O)CN1 CS12039 [0,0,0,1,0,1|0,0,2]=4 351 B9R1.35 O=C(O)C1CC(O)CN1 CS18304 [0,0,0,1,0,1|0,0,2]=4 352 B9R1.35 O=C(O)C1CC(O)CN1 CS19994 [0,0,0,1,0,1|0,0,2]=4 353 B9R1.35 O=C(O)C1CC(O)CN1 CS22793 [0,0,0,1,0,1|0,0,2]=4 354 B9R1.35 O=C(O)C1CC(O)CN1 MC31144 [0,0,0,1,0,1|0,0,2]=4 355 B9R1.35 O=C(O)C1CC(O)CN1 MC437781 [0,0,0,1,0,1|0,0,2]=4 356 B9R1.35 O=C(O)C1CC(O)CN1 MC437782 [0,0,0,1,0,1|0,0,2]=4 357 B9R1.35 O=C(O)C1CC(S)CN1 MC112474 [0,0,0,1,0,1|0,1,1]=4 358 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [0,0,0,1,0,1|0,0,0]=2 359 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [0,0,0,1,0,1|0,0,0]=2 360 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [0,0,0,1,0,1|0,0,0]=2 361 B9R1.35 O=C1CCC(C(=O)O)N1 CS22212 [0,0,0,1,0,1|1,0,0]=3 362 B9R1.35 O=C1CCC(C(=O)O)N1 MC438135 [0,0,0,1,0,1|1,0,0]=3 363 B9R1.35 O=C1CCC(C(=O)O)S1 MC103888 [0,0,0,1,0,1|1,0,0]=3 364 B9R1.35 O=C1NC(C(=O)O)CS1 MC438059 [0,0,0,1,0,1|1,0,0]=3 365 B9R1.53 CC(=O)OC1CC(=O)N1 CS18165 [0,0,0,1,0,1|1,0,0]=3 366 B9R1.53 NC1CC(CC(=O)O)C1 MC103479 [0,0,0,1,0,1|1,0,1]=4 367 B9R1.53 NC1CC(CC(=O)O)C1 MC103480 [0,0,0,1,0,1|1,0,1]=4 368 B9R1.53 NC1CC(CC(=O)O)C1 MC103481 [0,0,0,1,0,1|1,0,1]=4 369 B9R1.161 O=C(O)C1CC1C(=O)O MC33398 [0,0,0,1,0,1|1,0,0]=3 370 B9R1.1 COC1CCC(=O)CC1 CS14437 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.1 O=CC1CCC(=O)CC1 MC112097 [0,1,0,1,0,0|1,0,1]=4 372 B9R1.10 CC1(O)CCC(=O)CC1 CS14351 [0,1,0,1,0,0|1,0,1]=4 373 B9R1.10 O=C1CCS(=O)(=O)CC1 CS15032 [0,1,0,1,0,0|1,0,1]=4 374 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,1,0,1,0,0|1,0,1]=4 375 B9R1.69 CN1CC(=O)NCC1=O MC105654 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.69 CN1CCC(=O)CC1=O MC105215 [0,1,0,1,0,0|2,0,0]=4 377 B9R1.82 COC(=O)C1CC(=O)C1 CS13104 [0,1,0,1,0,0|0,0,0]=2 378 B9R1.82 COC(=O)C1CC(Br)C1 MC103784 [0,1,0,1,0,0|1,0,1]=4 379 B9R1.82 COC(=O)C1CC(Br)C1 MC103785 [0,1,0,1,0,0|1,0,1]=4 380 B9R1.82 COC(=O)C1CC(Cl)C1 MC444530 [0,1,0,1,0,0|1,0,1]=4 381 B9R1.82 COC(=O)C1CC(N)C1 CS15952 [0,1,0,1,0,0|1,0,1]=4 382 B9R1.82 COC(=O)C1CC(N)C1 MC103928 [0,1,0,1,0,0|1,0,1]=4 383 B9R1.82 COC(=O)C1CC(N)C1 MC103997 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.82 COC(=O)C1CC(N)C1 MC444564 [0,1,0,1,0,0|1,0,1]=4 385 B9R1.82 COC(=O)C1CC(O)C1 MC444276 [0,1,0,1,0,0|0,0,2]=4 386 B9R1.82 COC(=O)C1CC(O)C1 MC444557 [0,1,0,1,0,0|0,0,2]=4 387 B9R1.82 COC(=O)C1CC(O)C1 MC444565 [0,1,0,1,0,0|0,0,2]=4 388 B9R1.95 COC1CC(C(=O)O)C1 MC102156 [0,1,0,1,0,0|0,0,2]=4 389 B9R1.95 COC1CC(C(=O)O)C1 MC103811 [0,1,0,1,0,0|0,0,2]=4 390 B9R1.95 NCC1CC(C(=O)O)C1 MC105165 [0,1,0,1,0,0|1,0,1]=4 391 B9R1.95 O=C(O)C1CC(CO)C1 MC103733 [0,1,0,1,0,0|0,0,2]=4 392 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [0,1,0,1,0,0|1,0,1]=4 393 B9R1.152 C=C1CC(C)(C(=O)O)C1 MC105172 [0,1,0,1,0,0|1,0,0]=3 394 B9R1.152 CC1(C(=O)O)CC(N)C1 MC103378 [0,1,0,1,0,0|1,0,1]=4 395 B9R1.152 CC1(C(=O)O)CC(N)C1 MC104860 [0,1,0,1,0,0|1,0,1]=4 396 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104153 [0,1,0,1,0,0|1,0,1]=4 397 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104155 [0,1,0,1,0,0|1,0,1]=4 398 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104156 [0,1,0,1,0,0|1,0,1]=4 399 B9R1.152 NC1(C(=O)O)CC(O)C1 MC110551 [0,1,0,1,0,0|0,0,2]=4 400 B9R1.164 CC1(C)CC(C(=O)O)C1 MC444205 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.164 CC1(F)CC(C(=O)O)C1 MC111625 [0,1,0,1,0,0|1,0,1]=4 402 B9R1.164 CC1(F)CC(C(=O)O)C1 MC116400 [0,1,0,1,0,0|1,0,1]=4 403 B9R1.164 CC1(O)CC(C(=O)O)C1 CS16009 [0,1,0,1,0,0|0,0,2]=4 404 B9R1.164 CC1(O)CC(C(=O)O)C1 MC103746 [0,1,0,1,0,0|0,0,2]=4 405 B9R1.164 O=C(O)C1CC(F)(F)C1 CS21901 [0,1,0,1,0,0|1,0,1]=4 406 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MC425158 [0,1,0,1,0,0|1,0,0]=3 407 B5R0.5 CC(=O)C(=O)O MC41939 [0,0,0,0,2,0|0,0,0]=2 408 B5R0.5 CC(Br)C(=O)O MC20444 [0,0,0,0,2,0|1,0,1]=4 409 B5R0.5 CC(Cl)C(=O)O MC20315 [0,0,0,0,2,0|1,0,1]=4 410 B5R0.5 CC(Cl)C(=O)O MC436860 [0,0,0,0,2,0|1,0,1]=4 411 B5R0.5 CC(F)C(=O)O MC429445 [0,0,0,0,2,0|1,0,1]=4 412 B5R0.5 CC(N)C(=O)O CS18992 [0,0,0,0,2,0|1,0,1]=4 413 B5R0.5 CC(N)C(=O)O CS19143 [0,0,0,0,2,0|1,0,1]=4 414 B5R0.5 CC(N)C(=O)O MC428047 [0,0,0,0,2,0|1,0,1]=4 415 B5R0.5 CC(O)C(=O)O MC437817 [0,0,0,0,2,0|0,0,2]=4 416 B5R0.5 NC(=O)C(N)=O MC20822 [0,0,0,0,2,0|2,0,0]=4 417 B5R0.5 O=C(O)C(=O)O CS11387 [0,0,0,0,2,0|1,0,0]=3 418 B5R0.5 O=C(O)C(=O)O MC425345 [0,0,0,0,2,0|1,0,0]=3 419 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [0,0,0,0,2,0|1,0,1]=4 420 B9R0.55 O=C(Cl)CCCCC(=O)Cl MC40434 [0,0,0,0,0,2|2,0,0]=4