0 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.6 CC(N)CCC(=O)O MC435302 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.6 CN(C)CCC(=O)O CS12169 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.6 O=C(O)C#CC(=O)O MC20681 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.6 O=C(O)CC[N+](=O)[O-] MC442448 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.4 C#CCCC(=O)O MC428029 [1,0,0,0,0,0|0,0,3]=4 10 B6R0.4 C=CCCC(=O)O CS15216 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,0,0,0,0,0|0,0,2]=3 12 B6R0.4 CC(C)=CC[Mg]Cl MC116049 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 CC(C)=CC[Zn]Cl MC116080 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.4 CC(C)CCC=O MC428026 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.4 CC(C)CCCO MC428025 [1,0,0,0,0,0|0,0,3]=4 16 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 CN(C)\C=C\C=O MC42238 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 N#CCCC(=O)O CS22262 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 NCCCC(=O)O CS14998 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.4 O=C(O)CCCBr CS14053 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.9 O=C(O)CNC(=O)CCl MC436845 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,1,0,0,0,0|0,0,2]=3 28 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.23 CC(=O)NC(C)C(N)=O MC436017 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,1,0,0,0,0|0,0,2]=3 34 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,1,0,0,0,0|0,0,2]=3 35 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,1,0,0,0,0|0,0,2]=3 36 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,1,0,0,0,0|0,0,2]=3 37 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,1,0,0,0,0|0,0,2]=3 38 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,1,0,0,0,0|0,0,2]=3 44 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,1,0,0,0,0|0,0,2]=3 45 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,1,0,0,0,0|0,0,2]=3 46 B8R0.23 CC(NC(=N)N)C(=O)O MC435604 [0,1,0,0,0,0|3,0,0]=4 47 B8R0.23 CC(NC(N)=O)C(=O)O MC436835 [0,1,0,0,0,0|3,0,0]=4 48 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.23 O=C(O)CC(O)C(=O)O CS11286 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.23 O=C(O)CC(O)C(=O)O MC20429 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [0,1,0,0,0,0|1,0,1]=3 57 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.3 CC1=CC=C(O)C=C1 MC41204 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.3 CC1=CC=C(O)C=N1 CS19501 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.3 CC1=CC=C(O)N=N1 MC41698 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.3 CC1=CN=C(O)C=C1 CS16275 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.3 CC1=CN=C(O)C=N1 CS12289 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [0,0,0,1,0,0|1,0,2]=4 64 B8R1.3 CC1=NNC(=O)C=C1 CS19836 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,0,0,1,0,0|0,0,2]=3 69 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,0,0,1,0,0|0,0,2]=3 70 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,0,0,1,0,0|0,0,2]=3 71 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,0,0,1,0,0|0,0,2]=3 72 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,0,0,1,0,0|1,0,1]=3 73 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,0,0,1,0,0|1,0,2]=4 74 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,0,0,1,0,0|1,0,2]=4 80 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,0,0,1,0,0|1,0,2]=4 81 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,0,0,1,0,0|1,0,1]=3 84 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,0,1,0,0|0,0,2]=3 86 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,0,0,1,0,0|0,0,2]=3 87 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,0,0,1,0,0|1,0,2]=4 88 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,0,0,1,0|2,0,0]=3 89 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,0,0,1,0|1,0,1]=3 90 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,1,0|0,0,0]=1 91 B6R0.2 CC(C)CB(O)O CS22276 [0,0,0,0,1,0|1,0,2]=4 92 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,0,0,1,0|1,0,1]=3 93 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,0,0,1,0|1,0,1]=3 94 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,0,0,1,0|1,0,1]=3 95 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,0,0,1,0|1,0,1]=3 96 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,0,0,1,0|1,0,1]=3 97 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,0,0,1,0|1,0,2]=4 98 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,1,0|1,0,0]=2 99 B6R0.2 CN(C)CC(N)=S CS15155 [0,0,0,0,1,0|2,1,0]=4 100 B6R0.2 NC(=O)CC(N)=O CS11565 [0,0,0,0,1,0|3,0,0]=4 101 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,0,0,0,1,0|2,0,1]=4 102 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,0,0,0,1,0|2,0,1]=4 103 B6R0.2 O=C(O)CC(=O)O MC41922 [0,0,0,0,1,0|2,0,0]=3 104 B6R0.2 O=C(O)CC(=O)O MC41938 [0,0,0,0,1,0|2,0,0]=3 105 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,0,0,0,0,1|1,0,1]=3 106 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,0,0,0,0,1|1,0,1]=3 107 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,0,0,0,0,1|1,0,1]=3 108 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,0,0,0,0,1|1,0,1]=3 109 B8R0.28 NC(=O)NCCC(=O)O MC436834 [0,0,0,0,0,1|2,0,1]=4 110 B8R0.28 O=C(O)CCCC(=O)O MC20876 [0,0,0,0,0,1|2,0,1]=4 111 B8R0.28 O=C(O)COCC(O)=S MC445127 [0,0,0,0,0,1|2,0,1]=4 112 B5R0.1 CC#CC(=O)O MC20776 [2,0,0,0,0,0|0,0,2]=4 113 B5R0.1 CC(=O)\C=N\O CS11520 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.1 CC(=O)\C=N\O CS18968 [2,0,0,0,0,0|2,0,0]=4 115 B5R0.1 CC(C)=CCBr MC41900 [2,0,0,0,0,0|1,0,0]=3 116 B5R0.1 CC(C)CC=O CS11530 [2,0,0,0,0,0|0,0,1]=3 117 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.1 CN(C)CC=O CS17734 [2,0,0,0,0,0|1,0,0]=3 119 B5R0.1 CN(C)CCO CS11733 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|1,0,0]=3 121 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|1,0,0]=3 124 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.1 C\C=C\B(O)O MC116392 [2,0,0,0,0,0|1,0,1]=4 128 B5R0.1 C\C=C\C(=O)O MC41882 [2,0,0,0,0,0|0,0,0]=2 129 B5R0.1 N#CCC(=O)O MC41881 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|1,0,1]=4 131 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.2 C\C=C\C[Pd]Cl MC444919 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.2 COC(=O)CC(=O)O CS13436 [1,1,0,0,0,0|1,0,0]=3 135 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.2 COC(=O)CC(C)=O MC41927 [1,1,0,0,0,0|2,0,0]=4 137 B7R0.2 C\C(C=O)=C/N(C)C CS22267 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.3 COC(=O)CCC=O MC21172 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.3 CO\C=C\C(=O)OC CS11630 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.4 C=CCNCC(=O)O MC439317 [1,1,0,0,0,0|0,0,2]=4 141 B7R0.4 CCCOCC(=O)O MC425744 [1,1,0,0,0,0|0,0,2]=4 142 B7R0.4 CCO\C=C\C(=O)O CS22271 [1,1,0,0,0,0|0,0,2]=4 143 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [1,1,0,0,0,0|0,0,2]=4 144 B7R0.4 NCCCCC(=O)O MC428108 [1,1,0,0,0,0|0,0,2]=4 145 B7R0.4 NCCNCC(=O)O MC436179 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.4 O=C(O)CCCCBr MC41866 [1,1,0,0,0,0|0,0,2]=4 147 B7R0.5 C=CCC(N)C(=O)O MC439179 [1,1,0,0,0,0|0,0,2]=4 148 B7R0.5 CCCC(N)C(=O)O CS10518 [1,1,0,0,0,0|0,0,2]=4 149 B7R0.5 CCCC(N)C(=O)O CS17028 [1,1,0,0,0,0|0,0,2]=4 150 B7R0.5 CCCC(N)C(=O)O MC439125 [1,1,0,0,0,0|0,0,2]=4 151 B7R0.5 COCC(N)C(=O)O CS12183 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.5 COCC(N)C(=O)O CS16755 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.5 COCC(N)C(=O)O CS20335 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.5 CSCC(N)C(=O)O MC439293 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,1,0,0,1,0|0,0,1]=3 158 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,1,0,0,1,0|0,0,1]=3 159 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,1,0,0,1,0|0,0,1]=3 160 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [0,1,0,0,1,0|1,0,0]=3 161 B7R0.9 C[N+](C)(C)CC(=O)[O-] MC34236 [0,1,0,0,1,0|1,0,1]=4 162 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,1,0,0,1,0|0,0,2]=4 163 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,1,0,0,1,0|0,0,1]=3 164 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,1,0,0,1,0|0,0,1]=3 165 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,1,0,0,1,0|0,0,1]=3 166 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,1,0,0,1,0|0,0,1]=3 167 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,1,0,0,1,0|0,0,1]=3 168 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,1,0,0,1,0|0,0,1]=3 169 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,1,0,0,1,0|1,0,1]=4 170 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,1,0,0,1,0|1,0,1]=4 171 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,1,0,0,1,0|1,0,1]=4 172 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,1,0,0,1,0|0,0,1]=3 173 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,1,0,0,1,0|0,0,1]=3 174 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,1,0,0,1,0|1,0,1]=4 175 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,1,0,0,1,0|1,0,1]=4 176 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,1,0,0,1,0|1,0,1]=4 177 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,1,0,0,1,0|1,0,1]=4 178 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,1,0,0,1,0|1,0,1]=4 179 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,1,0,0,1,0|1,0,0]=3 180 B9R0.1 COC(=O)\C=C\CN(C)C MC107341 [0,1,0,0,0,1|1,0,1]=4 181 B9R0.1 NCC(=O)NCCC(=O)O MC435044 [0,1,0,0,0,1|1,0,1]=4 182 B9R0.7 C=C(C)CCC(N)C(=O)O MC435324 [0,1,0,0,0,1|0,0,2]=4 183 B9R0.7 C=C(C)CCC(N)C(=O)O MC435325 [0,1,0,0,0,1|0,0,2]=4 184 B9R0.7 CC(=O)OCC(N)C(=O)O MC428251 [0,1,0,0,0,1|1,0,1]=4 185 B9R0.7 CC(=O)OCC(N)C(=O)O MC438163 [0,1,0,0,0,1|1,0,1]=4 186 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,1,0,0,0,1|0,0,2]=4 187 B9R0.7 O=C(O)CCC(=O)C(=O)O CS14149 [0,1,0,0,0,1|2,0,0]=4 188 B9R0.53 CC(C)CC(C)CC(=O)O MC112321 [0,1,0,0,0,1|0,0,2]=4 189 B9R0.53 CC(C)CC(N)CC(=O)O CS19014 [0,1,0,0,0,1|0,0,2]=4 190 B9R0.53 CC(C)CC(N)CC(=O)O MC439109 [0,1,0,0,0,1|0,0,2]=4 191 B9R0.21 COC(=O)CCC(C)(C)N MC112459 [0,2,0,0,0,0|0,0,2]=4 192 B9R0.23 CCC(C)C(N)CC(=O)O MC439106 [0,2,0,0,0,0|0,0,2]=4 193 B9R0.23 CN(CC(=O)O)C(=O)CN MC439432 [0,2,0,0,0,0|2,0,0]=4 194 B9R0.23 COC(=O)C(=O)CC(C)=O MC446700 [0,2,0,0,0,0|2,0,0]=4 195 B9R0.23 COC(=O)C(C)NC(C)=O MC436018 [0,2,0,0,0,0|2,0,0]=4 196 B9R0.23 COC(=O)C(C)NC(C)=O MC436019 [0,2,0,0,0,0|2,0,0]=4 197 B9R0.23 COC(=O)C(N)CC(=O)O MC436253 [0,2,0,0,0,0|1,0,1]=4 198 B9R0.23 COC(=O)C(N)CC(=O)O MC436254 [0,2,0,0,0,0|1,0,1]=4 199 B9R0.23 COC(=O)C(N)CC(=O)O MC436255 [0,2,0,0,0,0|1,0,1]=4 200 B9R0.23 COC(=O)C(N)CC(=O)O MC436271 [0,2,0,0,0,0|1,0,1]=4 201 B9R0.23 COC(=O)C(N)CC(C)C CS22260 [0,2,0,0,0,0|0,0,2]=4 202 B9R0.23 COC(=O)C(N)CC(C)C MC437840 [0,2,0,0,0,0|0,0,2]=4 203 B9R0.23 COC(=O)C(N)CC(C)C MC437841 [0,2,0,0,0,0|0,0,2]=4 204 B9R0.24 COC(=O)CNC(=O)CN MC439205 [0,2,0,0,0,0|2,0,0]=4 205 B9R0.42 COC(=O)CC(=O)C(=O)O MC442592 [0,2,0,0,0,0|2,0,0]=4 206 B9R0.42 COC(=O)CC(=O)C(C)C CS11675 [0,2,0,0,0,0|0,0,1]=3 207 B9R0.42 COC(=O)CC(=O)C(C)F MC106085 [0,2,0,0,0,0|1,0,1]=4 208 B9R0.42 COC(=O)CC(N)C(=O)O CS13817 [0,2,0,0,0,0|1,0,1]=4 209 B9R0.42 COC(=O)CC(N)C(=O)O CS22944 [0,2,0,0,0,0|1,0,1]=4 210 B9R0.42 COC(=O)CC(N)C(=O)O MC436270 [0,2,0,0,0,0|1,0,1]=4 211 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,2,0,0,0,0|0,0,2]=4 212 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,2,0,0,0,0|1,0,1]=4 213 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,2,0,0,0,0|2,0,0]=4 214 B9R0.10 CC(C)(C)C(N)CC(=O)O CS20286 [0,2,0,0,0,0|0,0,2]=4 215 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437916 [0,2,0,0,0,0|0,0,2]=4 216 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437918 [0,2,0,0,0,0|0,0,2]=4 217 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437919 [0,2,0,0,0,0|0,0,2]=4 218 B9R0.39 CC(=O)NC(CS)C(=O)O CS19200 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.39 CCC(NC(C)=O)C(=O)O MC428063 [0,2,0,0,0,0|2,0,0]=4 220 B9R0.39 CCC(NC(C)=O)C(=O)O MC439247 [0,2,0,0,0,0|2,0,0]=4 221 B9R0.39 CNC(CC(C)C)C(=O)O MC435478 [0,2,0,0,0,0|0,0,2]=4 222 B9R0.39 CNC(CC(C)C)C(=O)O MC437917 [0,2,0,0,0,0|0,0,2]=4 223 B9R0.39 CNC(CC(C)C)C(=O)O MC437920 [0,2,0,0,0,0|0,0,2]=4 224 B9R0.57 CC(C)(C)CC(N)C(=O)O MC100406 [0,2,0,0,0,0|0,0,2]=4 225 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436788 [0,2,0,0,0,0|0,0,2]=4 226 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436789 [0,2,0,0,0,0|0,0,2]=4 227 B9R0.79 CC(C)C(O)C(N)C(=O)O MC116178 [0,2,0,0,0,0|0,0,2]=4 228 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,1,0,0|0,0,2]=4 229 B7R1.2 CC1=CC(=O)CO1 MC429080 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.2 CC1=NNC(=O)C1 CS16242 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.2 CC1=NNC(=O)O1 CS10427 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.2 CC1=NSC(=O)O1 MC42245 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|1,0,1]=4 234 B7R1.2 O=C1CNC(=O)C1 MC116520 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|0,0,2]=4 236 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|1,0,1]=4 238 B7R1.12 CC1CC1C(=O)O MC100841 [1,0,0,1,0,0|0,0,2]=4 239 B7R1.12 CC1CC1C(=O)O MC103281 [1,0,0,1,0,0|0,0,2]=4 240 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,1,0,0|0,0,2]=4 241 B7R1.18 O=C(O)C1CCN1 CS16493 [1,0,0,1,0,0|1,0,1]=4 242 B7R1.18 O=C(O)C1CCN1 CS16972 [1,0,0,1,0,0|1,0,1]=4 243 B7R1.18 O=C(O)C1CCN1 CS18844 [1,0,0,1,0,0|1,0,1]=4 244 B7R1.18 O=C(O)C1CCN1 MC436280 [1,0,0,1,0,0|1,0,1]=4 245 B7R1.18 O=C(O)C1CCO1 MC115721 [1,0,0,1,0,0|1,0,1]=4 246 B7R1.18 O=C(O)C1CNC1 CS16485 [1,0,0,1,0,0|1,0,1]=4 247 B7R1.18 O=C(O)C1COC1 CS22389 [1,0,0,1,0,0|1,0,1]=4 248 B7R1.18 O=C(O)C1CSC1 MC100118 [1,0,0,1,0,0|1,0,1]=4 249 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|0,0,2]=4 250 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,0,0,1,0,1|0,0,2]=4 251 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,0,0,1,0,1|1,0,1]=4 252 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,0,0,1,0,1|1,0,1]=4 253 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,0,0,1,0,1|1,0,1]=4 254 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,0,0,1,0,1|0,0,2]=4 255 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,0,0,1,0,1|1,0,1]=4 256 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,0,0,1,0,1|1,0,1]=4 257 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,0,0,1,0,1|1,0,1]=4 258 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,0,0,1,0,1|0,0,2]=4 259 B9R1.35 CN1CCC(C(=O)O)C1 CS18297 [0,0,0,1,0,1|1,0,1]=4 260 B9R1.35 CN1CCC(C(=O)O)C1 MC103798 [0,0,0,1,0,1|1,0,1]=4 261 B9R1.35 CN1CCC(C(=O)O)C1 MC104573 [0,0,0,1,0,1|1,0,1]=4 262 B9R1.35 CN1CCC(C(=O)O)C1 MC444131 [0,0,0,1,0,1|1,0,1]=4 263 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,0,0,1,0,1|0,0,2]=4 264 B9R1.35 O=C(O)C1CC(Br)=NO1 MC103251 [0,0,0,1,0,1|2,0,0]=4 265 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [0,0,0,1,0,1|1,0,1]=4 266 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [0,0,0,1,0,1|1,0,1]=4 267 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [0,0,0,1,0,1|1,0,1]=4 268 B9R1.10 CC1(C)OCC(=O)CO1 MC425473 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.69 CC1=C(C)C=C(O)C=C1 MC41191 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.69 CC1=C(C)NC(=O)C=C1 MC111283 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,1,0,1,0,0|1,0,1]=4 272 B9R1.69 CN1CCC(=O)CC1=O MC105215 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.82 COC(=O)C1CC(=O)C1 CS13104 [0,1,0,1,0,0|1,0,1]=4 274 B9R1.84 O=C(O)COC1CCC1 MC33255 [0,1,0,1,0,0|1,0,1]=4 275 B9R1.95 COC1CC(C(=O)O)C1 MC102156 [0,1,0,1,0,0|0,0,2]=4 276 B9R1.95 COC1CC(C(=O)O)C1 MC103811 [0,1,0,1,0,0|0,0,2]=4 277 B9R1.95 NCC1CC(C(=O)O)C1 MC105165 [0,1,0,1,0,0|0,0,2]=4 278 B9R1.95 O=C(O)C1CC(CO)C1 MC103733 [0,1,0,1,0,0|0,0,2]=4 279 B9R1.112 CC(NC1CC1)C(=O)O MC436876 [0,1,0,1,0,0|1,0,1]=4 280 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [0,1,0,1,0,0|0,0,2]=4 281 B9R1.152 C=C1CC(C)(C(=O)O)C1 MC105172 [0,1,0,1,0,0|0,0,2]=4 282 B9R1.164 CC1(C)C=C(C(=O)O)C1 MC101960 [0,1,0,1,0,0|0,0,2]=4 283 B9R1.164 CC1(C)CC(C(=O)O)C1 MC444205 [0,1,0,1,0,0|0,0,2]=4 284 B9R1.164 CC1(F)CC(C(=O)O)C1 MC111625 [0,1,0,1,0,0|0,0,2]=4 285 B9R1.164 CC1(F)CC(C(=O)O)C1 MC116400 [0,1,0,1,0,0|0,0,2]=4 286 B9R1.164 CC1(O)CC(C(=O)O)C1 CS16009 [0,1,0,1,0,0|0,0,2]=4 287 B9R1.164 CC1(O)CC(C(=O)O)C1 MC103746 [0,1,0,1,0,0|0,0,2]=4 288 B5R0.5 CC(=O)C(=O)O MC41939 [0,0,0,0,2,0|1,0,0]=3 289 B5R0.5 CC(Br)C(=O)O MC20444 [0,0,0,0,2,0|1,0,1]=4 290 B5R0.5 CC(C)C(=O)Cl MC40490 [0,0,0,0,2,0|1,0,1]=4 291 B5R0.5 CC(C)C(N)=O CS21696 [0,0,0,0,2,0|1,0,1]=4 292 B5R0.5 CC(Cl)C(=O)O MC20315 [0,0,0,0,2,0|1,0,1]=4 293 B5R0.5 CC(Cl)C(=O)O MC436860 [0,0,0,0,2,0|1,0,1]=4 294 B5R0.5 CC(F)C(=O)O MC429445 [0,0,0,0,2,0|1,0,1]=4 295 B5R0.5 CC(N)C(=O)O CS18992 [0,0,0,0,2,0|1,0,1]=4 296 B5R0.5 CC(N)C(=O)O CS19143 [0,0,0,0,2,0|1,0,1]=4 297 B5R0.5 CC(N)C(=O)O MC428047 [0,0,0,0,2,0|1,0,1]=4 298 B5R0.5 CC(O)C(=O)O MC437817 [0,0,0,0,2,0|1,0,1]=4 299 B5R0.5 CN(C)C(=O)Cl MC428263 [0,0,0,0,2,0|2,0,0]=4 300 B5R0.5 O=C(O)C(=O)O CS11387 [0,0,0,0,2,0|2,0,0]=4 301 B5R0.5 O=C(O)C(=O)O MC425345 [0,0,0,0,2,0|2,0,0]=4