0 B7R0.6 C=C(Br)CCC(=C)Br Amb24565975 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 C=C(Br)CCC(O)=O Amb18648212 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 C=C(Cl)CCC(N)=O Amb25843741 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.6 C=C(Cl)CCC(O)=O Amb18642971 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.6 C=C(F)CCC(O)=O Amb25141041 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 CC(=C)CCC(=O)Cl Amb24640436 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 CC(=C)CCC(O)=O Amb18641793 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.6 CC(=C)\C=C\C(=O)O Amb17593153 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.6 CC(=CCC(=O)C)C Amb17593170 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 CC(=N)SCC(O)=O Amb25704672 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.6 CC(=O)C=CC(C)=O Amb22346013 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.6 CC(=O)CC=C(Cl)Cl Amb25745505 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 CC(=O)CCB(O)O Amb25095502 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.6 CC(=O)CCC(=C)Br Amb24690678 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.6 CC(=O)CCC(=O)Cl Amb17142859 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.6 CC(=O)CCC(=O)N Amb17142854 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.6 CC(=O)CCC(Cl)Cl Amb25724918 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 CC(=O)CCC([O-])=O Amb22350071 [0,0,0,0,0,0|1,0,1]=2 18 B7R0.6 CC(=O)CCP(O)=O Amb24647699 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.6 CC(=O)CCS(=O)=O Amb25730256 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.6 CC(=O)CC[N+]([O-])=O Amb18198961 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.6 CC(=O)CNC(N)=O Amb24697691 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.6 CC(=O)CSC(C)=C Amb25809979 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.6 CC(=O)CSC(C)=N Amb24634756 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.6 CC(=O)CSC(N)=N Amb24084924 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.6 CC(=O)CSC(N)=S Amb25044427 [0,0,0,0,0,0|3,1,0]=4 26 B7R0.6 CC(=O)NCC(=C)Br Amb25804966 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.6 CC(=O)NCC(=C)Cl Amb25032220 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.6 CC(=O)NCC(=O)N Amb17231824 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.6 CC(=O)NCC(=S)N Amb17231879 [0,0,0,0,0,0|3,1,0]=4 31 B7R0.6 CC(=O)NCC(C)=C Amb25126091 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.6 CC(=O)NCC(O)O Amb25378443 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.6 CC(=O)OCC(=C)Br Amb25333124 [0,0,0,0,0,0|4,0,0]=4 34 B7R0.6 CC(=O)OCC(=C)C Amb16187121 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.6 CC(=O)OCC(=C)Cl Amb24744447 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.6 CC(=O)OCC(=O)Br Amb25032214 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [0,0,0,0,0,0|3,0,0]=3 39 B7R0.6 CC(=O)OCS(C)=O Amb24667100 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.6 CC(=O)OOC(C)=O Amb22230214 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.6 CC(=O)SCC(=C)Cl Amb21960981 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.6 CC(=O)SCC(=O)O Amb17607669 [0,0,0,0,0,0|2,0,0]=2 44 B7R0.6 CC(=O)SCC(C)=O Amb25131248 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.6 CC(=O)SNC(N)=O Amb25843227 [0,0,0,0,0,0|4,0,0]=4 47 B7R0.6 CC(=O)SSC(C)=O Amb24099405 [0,0,0,0,0,0|4,0,0]=4 48 B7R0.6 CC(=O)\C=C/C(C)=O Amb24551133 [0,0,0,0,0,0|2,0,2]=4 49 B7R0.6 CC(=O)\C=C/C(O)=O Amb24662475 [0,0,0,0,0,0|1,0,2]=3 50 B7R0.6 CC(=O)\C=C\C(=O)Cl Amb24643241 [0,0,0,0,0,0|2,0,2]=4 51 B7R0.6 CC(=O)\C=C\C(N)=O Amb24516266 [0,0,0,0,0,0|2,0,2]=4 52 B7R0.6 CC(=S)NCC(O)=O Amb24325138 [0,0,0,0,0,0|2,1,0]=3 53 B7R0.6 CC(Br)CCC(=O)Cl Amb24483133 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.6 CC(Br)CCC(N)=O Amb24065438 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.6 CC(Br)CCC(O)=O Amb18124528 [0,0,0,0,0,0|2,0,1]=3 56 B7R0.6 CC(C)=CCC([O-])=O Amb22491058 [0,0,0,0,0,0|2,0,2]=4 57 B7R0.6 CC(C)=NCC(O)=O Amb24481383 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.6 CC(C)CC[13C](O)=O Amb22337922 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.6 CC(C)CC[13C]([O-])=O Amb22369748 [0,0,0,0,0,0|2,0,2]=4 60 B7R0.6 CC(CCC(=O)O)C Amb1153016 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.6 CC(CCC(=O)O)N Amb17593212 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.6 CC(Cl)=C=CC(O)=O Amb25321565 [0,0,0,0,0,0|2,0,2]=4 63 B7R0.6 CC(Cl)=CCC(N)=O Amb25324975 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.6 CC(Cl)CCC(=O)Cl Amb22229744 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.6 CC(Cl)CCC(N)=O Amb24469692 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.6 CC(Cl)CCC(O)=O Amb18124448 [0,0,0,0,0,0|2,0,1]=3 67 B7R0.6 CC(F)CCC(O)=O Amb24682772 [0,0,0,0,0,0|2,0,1]=3 68 B7R0.6 CC(N)CCC(C)=O Amb24698356 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.6 CC(N)CCC(N)=O Amb18641901 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.6 CC(N)CCC(O)=O Amb19515603 [0,0,0,0,0,0|2,0,1]=3 71 B7R0.6 CC(NCC(=O)O)C Amb2372347 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.6 CC(O)=NNC(N)=O Amb17777869 [0,0,0,0,0,0|4,0,0]=4 73 B7R0.6 CC(O)CCB(O)O Amb24594819 [0,0,0,0,0,0|2,0,2]=4 74 B7R0.6 CC(O)CCC(C)=C Amb24062974 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.6 CC(O)CCC(C)=O Amb25829594 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.6 CC(O)CCC(O)=O Amb18294804 [0,0,0,0,0,0|1,0,1]=2 77 B7R0.6 CC(O)COC(C)=O Amb24056158 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.6 CC(O)COP(O)=O Amb24591406 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.6 CC(O)NCC(O)=O Amb25141558 [0,0,0,0,0,0|2,0,1]=3 80 B7R0.6 CC(O)\C=C\C(O)=O Amb18641876 [0,0,0,0,0,0|1,0,3]=4 81 B7R0.6 CC(SCC(=O)O)C Amb1128460 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.6 CN(C)CCC(O)=O Amb19888182 [0,0,0,0,0,0|3,0,0]=3 83 B7R0.6 CN(C)NCC(O)=O Amb24481366 [0,0,0,0,0,0|4,0,0]=4 84 B7R0.6 CN(CCC(=O)C)C Amb1129203 [0,0,0,0,0,0|4,0,0]=4 85 B7R0.6 CN(CCC(=O)N)C Amb17231825 [0,0,0,0,0,0|4,0,0]=4 86 B7R0.6 CS(=O)CCC(N)=N Amb25248432 [0,0,0,0,0,0|4,0,0]=4 87 B7R0.6 CS(=O)CCC(N)=O Amb24475802 [0,0,0,0,0,0|3,0,0]=3 88 B7R0.6 CS(=O)CCC(O)=O Amb18523762 [0,0,0,0,0,0|2,0,0]=2 89 B7R0.6 CS(=O)NCC(N)=O Amb24589713 [0,0,0,0,0,0|4,0,0]=4 90 B7R0.6 CS(=O)NCC(O)=O Amb25237322 [0,0,0,0,0,0|3,0,0]=3 91 B7R0.6 CS(=O)\C=C\C(O)=O Amb18642965 [0,0,0,0,0,0|2,0,2]=4 92 B7R0.6 C[C@@H](COC(=O)O)O Amb16232417 [0,0,0,0,0,0|2,0,1]=3 93 B7R0.6 C[C@@H](O)C#CC(O)=O Amb24334413 [0,0,0,0,0,0|1,0,3]=4 94 B7R0.6 C[C@@H](O)CCB(O)O Amb25683632 [0,0,0,0,0,0|2,0,2]=4 95 B7R0.6 C[C@@H](O)CCC(C)=C Amb22896943 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.6 C[C@@H](O)CCC(C)=O Amb22351150 [0,0,0,0,0,0|2,0,1]=3 97 B7R0.6 C[C@@H](O)CCC(C)O Amb25846912 [0,0,0,0,0,0|2,0,2]=4 98 B7R0.6 C[C@@H](O)CNC(C)=O Amb25133822 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.6 C[C@@H](O)COC(C)=O Amb25832756 [0,0,0,0,0,0|3,0,1]=4 100 B7R0.6 C[C@@H](S)CCC(O)=O Amb24587370 [0,0,0,0,0,0|1,1,1]=3 101 B7R0.6 C[C@H](N)CCC(O)=O Amb25047328 [0,0,0,0,0,0|2,0,1]=3 102 B7R0.6 C[C@H](O)CNC(N)=O Amb24384732 [0,0,0,0,0,0|3,0,1]=4 103 B7R0.6 C[C@H](O)CSC(C)=O Amb25256687 [0,0,0,0,0,0|3,0,1]=4 104 B7R0.6 C[S+](C)CCC(O)=O Amb22730539 [0,0,0,0,0,0|3,0,0]=3 105 B7R0.6 C[S+](C)CCC([O-])=O Amb20247306 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.6 NC(=N)CCC(=O)Cl Amb24565938 [0,0,0,0,0,0|3,0,0]=3 107 B7R0.6 NC(=N)CCC(O)=O Amb25736788 [0,0,0,0,0,0|2,0,0]=2 108 B7R0.6 NC(=N)NCC(=O)Cl Amb25258517 [0,0,0,0,0,0|4,0,0]=4 109 B7R0.6 NC(=N)NCC(=O)O Amb16231404 [0,0,0,0,0,0|3,0,0]=3 110 B7R0.6 NC(=N)N[13CH2][13C](=O)O Amb17614848 [0,0,0,0,0,0|3,0,0]=3 111 B7R0.6 NC(=N)OCC(O)=O Amb24394884 [0,0,0,0,0,0|3,0,0]=3 112 B7R0.6 NC(=N)SCC(O)=O Amb21955777 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.6 NC(=O)CCB(O)O Amb24483052 [0,0,0,0,0,0|2,0,1]=3 114 B7R0.6 NC(=O)CCC(=O)N Amb1353209 [0,0,0,0,0,0|2,0,0]=2 115 B7R0.6 NC(=O)CCC(F)F Amb25271130 [0,0,0,0,0,0|3,0,1]=4 116 B7R0.6 NC(=O)CCC(N)=N Amb25680023 [0,0,0,0,0,0|3,0,0]=3 117 B7R0.6 NC(=O)CCP(O)=O Amb25840251 [0,0,0,0,0,0|2,0,0]=2 118 B7R0.6 NC(=O)CNC(O)=O Amb24705097 [0,0,0,0,0,0|2,0,0]=2 119 B7R0.6 NC(=O)CNC(S)=S Amb24697901 [0,0,0,0,0,0|2,2,0]=4 120 B7R0.6 NC(=O)CNC([O-])=S Amb25146514 [0,0,0,0,0,0|2,1,1]=4 121 B7R0.6 NC(=O)CSC(N)=N Amb22261500 [0,0,0,0,0,0|4,0,0]=4 122 B7R0.6 NC(=O)NCC(=O)N Amb1136421 [0,0,0,0,0,0|3,0,0]=3 123 B7R0.6 NC(=O)NCC(=O)O Amb16205895 [0,0,0,0,0,0|2,0,0]=2 124 B7R0.6 NC(=O)OCC(=O)Cl Amb25259155 [0,0,0,0,0,0|3,0,0]=3 125 B7R0.6 NC(=O)OCC(N)=O Amb25724808 [0,0,0,0,0,0|3,0,0]=3 126 B7R0.6 NC(=O)OCC(O)=O Amb25777061 [0,0,0,0,0,0|2,0,0]=2 127 B7R0.6 NC(=O)SCC(N)=O Amb24359876 [0,0,0,0,0,0|3,0,0]=3 128 B7R0.6 NC(=O)SCC(O)=O Amb24640543 [0,0,0,0,0,0|2,0,0]=2 129 B7R0.6 NC(=S)CCC(=S)N Amb10552426 [0,0,0,0,0,0|2,2,0]=4 130 B7R0.6 NC(=S)CCC(O)=O Amb18102382 [0,0,0,0,0,0|1,1,0]=2 131 B7R0.6 NC(=S)CNC(N)=O Amb24667922 [0,0,0,0,0,0|3,1,0]=4 132 B7R0.6 NC(=S)OCC(O)=O Amb25340403 [0,0,0,0,0,0|2,1,0]=3 133 B7R0.6 NC(=S)SCC(O)=O Amb25108057 [0,0,0,0,0,0|2,1,0]=3 134 B7R0.6 NC(=S)\C=C\C(O)=O Amb25707640 [0,0,0,0,0,0|1,1,2]=4 135 B7R0.6 O=C(Cl)CCC(Cl)Cl Amb24441999 [0,0,0,0,0,0|3,0,1]=4 136 B7R0.6 O=C(F)CCC(=O)F Amb24483270 [0,0,0,0,0,0|2,0,0]=2 137 B7R0.6 O=C([OH2+])[13C]#CC(=O)[OH2+] Amb22336968 [0,0,0,0,0,0|0,0,4]=4 138 B7R0.6 OB(O)CCC(O)=O Amb24640288 [0,0,0,0,0,0|1,0,1]=2 139 B7R0.6 OC(=O)C=CC(O)=O Amb22487311 [0,0,0,0,0,0|0,0,2]=2 140 B7R0.6 OC(=O)C=CC(O)=O Amb22487315 [0,0,0,0,0,0|0,0,2]=2 141 B7R0.6 OC(=O)CC=C(Cl)Cl Amb17593875 [0,0,0,0,0,0|2,0,1]=3 142 B7R0.6 OC(=O)CC=C(F)F Amb25127059 [0,0,0,0,0,0|2,0,1]=3 143 B7R0.6 OC(=O)CCC(=O)Cl Amb17593468 [0,0,0,0,0,0|1,0,0]=1 144 B7R0.6 OC(=O)CCC(Cl)Cl Amb25059214 [0,0,0,0,0,0|2,0,1]=3 145 B7R0.6 OC(=O)CCC(F)F Amb20623135 [0,0,0,0,0,0|2,0,1]=3 146 B7R0.6 OC(=O)CCC(O)=O Amb22168124 [0,0,0,0,0,0|0,0,0]=0 147 B7R0.6 OC(=O)CCC(O)=O Amb22349196 [0,0,0,0,0,0|0,0,0]=0 148 B7R0.6 OC(=O)CCC(O)=O Amb22353352 [0,0,0,0,0,0|0,0,0]=0 149 B7R0.6 OC(=O)CCC(O)=O Amb22360649 [0,0,0,0,0,0|0,0,0]=0 150 B7R0.6 OC(=O)CNC(=O)Cl Amb25277149 [0,0,0,0,0,0|2,0,0]=2 151 B7R0.6 OC(=O)CNC(S)=S Amb24739663 [0,0,0,0,0,0|1,2,0]=3 152 B7R0.6 OC(=O)COC(S)=S Amb24739791 [0,0,0,0,0,0|1,2,0]=3 153 B7R0.6 OC(=O)COS(=O)=O Amb25064798 [0,0,0,0,0,0|2,0,1]=3 154 B7R0.6 OC(=O)CSC(S)=S Amb24608205 [0,0,0,0,0,0|1,2,0]=3 155 B7R0.6 OC(=O)C[13CH2][13C](O)=O Amb22353421 [0,0,0,0,0,0|0,0,0]=0 156 B7R0.6 OC(=O)C\C=C(\F)/Cl Amb24599232 [0,0,0,0,0,0|2,0,1]=3 157 B7R0.6 OC(=O)SCC(O)=O Amb24699018 [0,0,0,0,0,0|1,0,0]=1 158 B7R0.6 OC(=O)[13CH2][13CH2]C(O)=O Amb22338081 [0,0,0,0,0,0|0,0,0]=0 159 B7R0.6 OC(=O)[14CH2][14CH2]C(O)=O Amb22337597 [0,0,0,0,0,0|0,0,0]=0 160 B7R0.6 OC(=O)\C=C/C(O)=O Amb22274309 [0,0,0,0,0,0|0,0,2]=2 161 B7R0.6 OC(=O)\C=C/C(O)=O Amb22350132 [0,0,0,0,0,0|0,0,2]=2 162 B7R0.6 OC(=O)\C=C\C(=O)O Amb10072561 [0,0,0,0,0,0|0,0,2]=2 163 B7R0.6 OC(=O)\C=C\C(O)=O Amb22336584 [0,0,0,0,0,0|0,0,2]=2 164 B7R0.6 OC(=O)\C=C\C(O)=O Amb22352586 [0,0,0,0,0,0|0,0,2]=2 165 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353441 [0,0,0,0,0,0|0,0,2]=2 166 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353537 [0,0,0,0,0,0|0,0,2]=2 167 B7R0.6 OC(=O)\C=C\C(O)=O Amb22360655 [0,0,0,0,0,0|0,0,2]=2 168 B7R0.6 OC(=O)\C=C\P(O)=O Amb24622481 [0,0,0,0,0,0|1,0,2]=3 169 B7R0.6 OC(=O)\[13CH]=[13CH]\C(O)=O Amb22363150 [0,0,0,0,0,0|0,0,2]=2 170 B7R0.6 OC(=O)\[14CH]=[14CH]/C(O)=O Amb22352435 [0,0,0,0,0,0|0,0,2]=2 171 B7R0.6 OC(=S)CCC(O)=O Amb24586272 [0,0,0,0,0,0|0,1,0]=1 172 B7R0.6 OC(O)CCC(O)=O Amb25762802 [0,0,0,0,0,0|0,0,2]=2 173 B7R0.6 O[13C](=O)CC[13C](O)=O Amb22056173 [0,0,0,0,0,0|0,0,0]=0 174 B7R0.6 O[13C](=O)[13CH2][13CH2][13C](O)=O Amb22056172 [0,0,0,0,0,0|0,0,0]=0 175 B7R0.6 O[13C](=O)\[13CH]=[13CH]\[13C](O)=O Amb22055283 [0,0,0,0,0,0|0,0,2]=2 176 B7R0.6 O[14C](=O)CC[14C](O)=O Amb22352661 [0,0,0,0,0,0|0,0,0]=0 177 B7R0.6 [13CH3][13C](=O)[13CH2]CC(O)=O Amb22056002 [0,0,0,0,0,0|1,0,0]=1 178 B7R0.6 [15NH2][13C](=O)NN[13C](=O)[15NH2] Amb17615003 [0,0,0,0,0,0|4,0,0]=4 179 B7R0.6 [O-]C(=O)/C=C/C([O-])=O Amb17942943 [0,0,0,0,0,0|0,0,4]=4 180 B7R0.6 [O-]C(=O)C#CC(O)=O Amb19748298 [0,0,0,0,0,0|0,0,3]=3 181 B7R0.6 [O-]C(=O)CCC(O)=O Amb22730137 [0,0,0,0,0,0|0,0,1]=1 182 B7R0.6 [O-]C(=O)CCC(O)=O Amb22733837 [0,0,0,0,0,0|0,0,1]=1 183 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22230230 [0,0,0,0,0,0|0,0,2]=2 184 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22330623 [0,0,0,0,0,0|0,0,2]=2 185 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22360668 [0,0,0,0,0,0|0,0,2]=2 186 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22731284 [0,0,0,0,0,0|0,0,2]=2 187 B7R0.6 [O-]C(=O)NCC([O-])=O Amb22731445 [0,0,0,0,0,0|1,0,2]=3 188 B7R0.6 [O-]C(=O)\C=C/C(O)=O Amb22168115 [0,0,0,0,0,0|0,0,3]=3 189 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb22731335 [0,0,0,0,0,0|0,0,4]=4 190 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb22733809 [0,0,0,0,0,0|0,0,4]=4 191 B7R0.6 [O-]C(=O)\C=C/C([O-])=O Amb24325338 [0,0,0,0,0,0|0,0,4]=4 192 B7R0.6 [O-]C(=O)\C=C\C(O)=O Amb22043387 [0,0,0,0,0,0|0,0,3]=3 193 B7R0.6 [O-]C(=O)\C=C\C(O)=O Amb22734231 [0,0,0,0,0,0|0,0,3]=3 194 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb20246799 [0,0,0,0,0,0|0,0,4]=4 195 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22002520 [0,0,0,0,0,0|0,0,4]=4 196 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22043369 [0,0,0,0,0,0|0,0,4]=4 197 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22730640 [0,0,0,0,0,0|0,0,4]=4 198 B7R0.6 [O-]C(=O)\C=C\C([O-])=O Amb22732045 [0,0,0,0,0,0|0,0,4]=4 199 B7R0.6 [O-][N+](=O)CCC(=O)Cl Amb24532013 [0,0,0,0,0,0|2,0,1]=3 200 B7R0.6 [O-][N+](=O)CCC(=O)O Amb10843224 [0,0,0,0,0,0|1,0,1]=2 201 B7R0.6 [O-][N+](=O)\C=C\C(O)=O Amb25736416 [0,0,0,0,0,0|1,0,3]=4 202 B6R0.4 C#CCCC(N)=O Amb18636026 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.4 C#CCCC([O-])=O Amb22232009 [1,0,0,0,0,0|1,0,2]=4 204 B6R0.4 C=C(Br)CCC=O Amb18645745 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.4 C=C(Br)CNC=O Amb25169576 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.4 C=C(Cl)CCC=O Amb24525208 [1,0,0,0,0,0|2,0,0]=3 207 B6R0.4 C=C(Cl)CNC=O Amb24376668 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.4 C=C(F)CCCO Amb25811029 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.4 C=CC#CC(O)=O Amb24479724 [1,0,0,0,0,0|1,0,2]=4 210 B6R0.4 C=CCCB(O)O Amb10067042 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.4 C=CCCC(N)=N Amb25326954 [1,0,0,0,0,0|3,0,0]=4 212 B6R0.4 C=CCCS([O-])=O Amb25680826 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.4 C=CCC[N+]([O-])=O Amb22490976 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.4 C=CCSC(=O)Cl Amb22231425 [1,0,0,0,0,0|3,0,0]=4 215 B6R0.4 C=COCC(N)=O Amb25075789 [1,0,0,0,0,0|3,0,0]=4 216 B6R0.4 C=NCCC(O)=O Amb24480865 [1,0,0,0,0,0|2,0,0]=3 217 B6R0.4 CC#CCC(O)=O Amb17939740 [1,0,0,0,0,0|1,0,2]=4 218 B6R0.4 CC(=C)CCC=C Amb22228883 [1,0,0,0,0,0|3,0,0]=4 219 B6R0.4 CC(=C)CCC=O Amb18120891 [1,0,0,0,0,0|2,0,0]=3 220 B6R0.4 CC(=C)CCCO Amb22886814 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.4 CC(=C)CNC=O Amb24448470 [1,0,0,0,0,0|3,0,0]=4 222 B6R0.4 CC(=O)CC=NO Amb25024487 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.4 CC(=O)CCC=O Amb18639597 [1,0,0,0,0,0|1,0,0]=2 224 B6R0.4 CC(=O)CCC=S Amb25662155 [1,0,0,0,0,0|1,1,0]=3 225 B6R0.4 CC(=O)CCCF Amb25068187 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.4 CC(=O)CCCI Amb25346994 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.4 CC(=O)CCCN Amb18121547 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.4 CC(=O)CCON Amb25186994 [1,0,0,0,0,0|3,0,0]=4 229 B6R0.4 CC(=O)CNC=O Amb23442787 [1,0,0,0,0,0|2,0,0]=3 230 B6R0.4 CC(=O)COC=O Amb24736861 [1,0,0,0,0,0|2,0,0]=3 231 B6R0.4 CC(=O)CSC=C Amb24479150 [1,0,0,0,0,0|3,0,0]=4 232 B6R0.4 CC(=O)C\C=C/Cl Amb25276014 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.4 CC(=O)C\C=C\Cl Amb25094325 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.4 CC(=O)C\C=N/O Amb25066399 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.4 CC(=O)NCC=O Amb25757509 [1,0,0,0,0,0|2,0,0]=3 236 B6R0.4 CC(=O)NNC=O Amb25663184 [1,0,0,0,0,0|3,0,0]=4 237 B6R0.4 CC(=O)SCC=C Amb24531624 [1,0,0,0,0,0|3,0,0]=4 238 B6R0.4 CC(=O)\C=C\C=O Amb18120765 [1,0,0,0,0,0|1,0,2]=4 239 B6R0.4 CC(Br)CCC=O Amb18645866 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.4 CC(C)=CCC=O Amb18120881 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.4 CC(C)CCC=O Amb17673735 [1,0,0,0,0,0|2,0,1]=4 242 B6R0.4 CC(Cl)CCC=O Amb18124284 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.4 CC(I)CCC=O Amb24333933 [1,0,0,0,0,0|2,0,1]=4 244 B6R0.4 CC(N)CCC=O Amb24443883 [1,0,0,0,0,0|2,0,1]=4 245 B6R0.4 CC(O)CCC=C Amb22059013 [1,0,0,0,0,0|2,0,1]=4 246 B6R0.4 CC(O)CCCO Amb22227752 [1,0,0,0,0,0|1,0,2]=4 247 B6R0.4 CC(O)CNC=O Amb20622242 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.4 CC=C=CC(=O)O Amb17593065 [1,0,0,0,0,0|1,0,2]=4 249 B6R0.4 CCCCC(=O)Br Amb22730323 [1,0,0,0,0,0|2,0,1]=4 250 B6R0.4 CCCCC(O)=S Amb24682342 [1,0,0,0,0,0|1,1,1]=4 251 B6R0.4 CCCCC([O-])=O Amb19879370 [1,0,0,0,0,0|1,0,2]=4 252 B6R0.4 CCCCC([O-])=O Amb22056343 [1,0,0,0,0,0|1,0,2]=4 253 B6R0.4 CCCCC([O-])=O Amb22729192 [1,0,0,0,0,0|1,0,2]=4 254 B6R0.4 CCCCC([O-])=O Amb22731639 [1,0,0,0,0,0|1,0,2]=4 255 B6R0.4 CCCC[13C](O)=O Amb22367454 [1,0,0,0,0,0|1,0,1]=3 256 B6R0.4 CCCC[Sn](O)=O Amb22336393 [1,0,0,0,0,0|2,0,1]=4 257 B6R0.4 CCNCC(=O)O Amb10609667 [1,0,0,0,0,0|2,0,1]=4 258 B6R0.4 CCSCC(=O)O Amb1125185 [1,0,0,0,0,0|2,0,1]=4 259 B6R0.4 CN(C)CCC=O Amb22001057 [1,0,0,0,0,0|3,0,0]=4 260 B6R0.4 CNCCC(=O)O Amb10609760 [1,0,0,0,0,0|2,0,0]=3 261 B6R0.4 CNCCC(C)=O Amb24560306 [1,0,0,0,0,0|3,0,0]=4 262 B6R0.4 CNCCC(N)=O Amb19959913 [1,0,0,0,0,0|3,0,0]=4 263 B6R0.4 CNNCC(O)=O Amb21929288 [1,0,0,0,0,0|3,0,0]=4 264 B6R0.4 CNOCC(O)=O Amb25104714 [1,0,0,0,0,0|3,0,0]=4 265 B6R0.4 CSCCC(N)=O Amb24479809 [1,0,0,0,0,0|3,0,0]=4 266 B6R0.4 CSSCC(O)=O Amb25378801 [1,0,0,0,0,0|3,0,0]=4 267 B6R0.4 C[C@@H](O)CCC=C Amb19929324 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.4 C[C@@H](O)CNC=O Amb25259151 [1,0,0,0,0,0|2,0,1]=4 269 B6R0.4 C[C@H](O)CCC=C Amb22226511 [1,0,0,0,0,0|2,0,1]=4 270 B6R0.4 C[C@H](O)CNC=O Amb25131739 [1,0,0,0,0,0|2,0,1]=4 271 B6R0.4 C[C@H](O)COC=O Amb25662147 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.4 C\C(\Br)=C/CC=O Amb25811514 [1,0,0,0,0,0|2,0,1]=4 273 B6R0.4 C\C=C/CC(C)=O Amb25723218 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.4 C\C=C/CC(O)=O Amb25692581 [1,0,0,0,0,0|1,0,1]=3 275 B6R0.4 C\C=C\CC(C)=O Amb24359011 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.4 C\C=N\CC(O)=O Amb24618330 [1,0,0,0,0,0|2,0,0]=3 277 B6R0.4 ClCCCC(=O)N Amb1138237 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.4 FCCCC(=O)O Amb17593104 [1,0,0,0,0,0|1,0,1]=3 279 B6R0.4 N#CCCC(=O)C Amb17334046 [1,0,0,0,0,0|2,0,1]=4 280 B6R0.4 N#CCCC(=O)Cl Amb25106570 [1,0,0,0,0,0|2,0,1]=4 281 B6R0.4 N#CNCC(O)=O Amb25173813 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.4 N#CSCC(O)=O Amb24480976 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.4 N=CNCC(O)=O Amb24670244 [1,0,0,0,0,0|2,0,0]=3 284 B6R0.4 NC(=O)CC=NO Amb24605273 [1,0,0,0,0,0|2,0,1]=4 285 B6R0.4 NC(=O)CCCBr Amb25779163 [1,0,0,0,0,0|2,0,1]=4 286 B6R0.4 NC(=O)CCCO Amb20623438 [1,0,0,0,0,0|1,0,1]=3 287 B6R0.4 NC(=O)CNC=O Amb25770889 [1,0,0,0,0,0|2,0,0]=3 288 B6R0.4 NC(=O)NCCO Amb1146041 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.4 NC(=O)NCN=O Amb22490284 [1,0,0,0,0,0|3,0,0]=4 290 B6R0.4 NC(=O)OCC=O Amb24446581 [1,0,0,0,0,0|2,0,0]=3 291 B6R0.4 NC(=O)OCCO Amb20623788 [1,0,0,0,0,0|2,0,1]=4 292 B6R0.4 NC(=O)\C=C\C=O Amb24480849 [1,0,0,0,0,0|1,0,2]=4 293 B6R0.4 NC(=S)CCC=N Amb24681956 [1,0,0,0,0,0|2,1,0]=4 294 B6R0.4 NC(=S)CNC=O Amb24479904 [1,0,0,0,0,0|2,1,0]=4 295 B6R0.4 NC(=S)SCC=O Amb24713465 [1,0,0,0,0,0|2,1,0]=4 296 B6R0.4 NCCCC(=O)Cl Amb1935063 [1,0,0,0,0,0|2,0,1]=4 297 B6R0.4 NCCCC(=O)N Amb2099583 [1,0,0,0,0,0|2,0,1]=4 298 B6R0.4 NCCCC(=O)O Amb1935210 [1,0,0,0,0,0|1,0,1]=3 299 B6R0.4 NCCCC(Cl)=O Amb17801145 [1,0,0,0,0,0|2,0,1]=4 300 B6R0.4 NCCCP(O)=O Amb22370049 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.4 NCCCS(O)=O Amb25185942 [1,0,0,0,0,0|2,0,1]=4 302 B6R0.4 NNCCC(N)=O Amb24406769 [1,0,0,0,0,0|3,0,0]=4 303 B6R0.4 NOCCC(=O)O Amb17569891 [1,0,0,0,0,0|2,0,0]=3 304 B6R0.4 O=C(Br)CCCBr Amb25724818 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.4 O=C(Br)CCCCl Amb25146320 [1,0,0,0,0,0|2,0,1]=4 306 B6R0.4 O=C(Cl)C\C=C\Cl Amb24531407 [1,0,0,0,0,0|2,0,1]=4 307 B6R0.4 O=C(S)CCCCl Amb24683280 [1,0,0,0,0,0|1,1,1]=4 308 B6R0.4 O=CCCC(Cl)Cl Amb25241164 [1,0,0,0,0,0|2,0,1]=4 309 B6R0.4 O=CCCC(F)F Amb25848573 [1,0,0,0,0,0|2,0,1]=4 310 B6R0.4 O=CCCC(O)C Amb17593090 [1,0,0,0,0,0|1,0,1]=3 311 B6R0.4 O=CCOC(=O)C Amb10070247 [1,0,0,0,0,0|2,0,0]=3 312 B6R0.4 O=CNCC(=O)O Amb1911508 [1,0,0,0,0,0|1,0,0]=2 313 B6R0.4 OC(=O)CCC=O Amb17673897 [1,0,0,0,0,0|0,0,0]=1 314 B6R0.4 OC(=O)CCCI Amb22295911 [1,0,0,0,0,0|1,0,1]=3 315 B6R0.4 OC(=O)CCCP Amb24717184 [1,0,0,0,0,0|1,0,1]=3 316 B6R0.4 OC(=O)CCNCl Amb24437846 [1,0,0,0,0,0|2,0,0]=3 317 B6R0.4 OC(=O)CN=C=S Amb25024397 [1,0,0,0,0,0|1,1,1]=4 318 B6R0.4 OC(=O)CSN=O Amb24368923 [1,0,0,0,0,0|2,0,0]=3 319 B6R0.4 OC(=O)C\C=C\Br Amb24511491 [1,0,0,0,0,0|1,0,1]=3 320 B6R0.4 OC(=O)C\C=C\Cl Amb25111871 [1,0,0,0,0,0|1,0,1]=3 321 B6R0.4 OC(=O)C\C=C\I Amb24507704 [1,0,0,0,0,0|1,0,1]=3 322 B6R0.4 OC(=O)\C=C\I=O Amb25075597 [1,0,0,0,0,0|1,0,2]=4 323 B6R0.4 OCC#CC(O)=O Amb22002375 [1,0,0,0,0,0|0,0,3]=4 324 B6R0.4 OCCCC(=O)O Amb17615189 [1,0,0,0,0,0|0,0,1]=2 325 B6R0.4 OCCCC(O)=O Amb18640332 [1,0,0,0,0,0|0,0,1]=2 326 B6R0.4 OCCCC(O)O Amb22802459 [1,0,0,0,0,0|0,0,3]=4 327 B6R0.4 OCCNS(O)=O Amb25283153 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.4 OCCOC(=O)S Amb25106059 [1,0,0,0,0,0|1,1,1]=4 329 B6R0.4 OCCOP(O)=O Amb25739645 [1,0,0,0,0,0|2,0,1]=4 330 B6R0.4 OCCOS(O)=O Amb17942859 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.4 ON=NCC(O)=O Amb25204101 [1,0,0,0,0,0|2,0,0]=3 332 B6R0.4 ON\C=C\C(O)=O Amb25058383 [1,0,0,0,0,0|1,0,2]=4 333 B6R0.4 O[13CH2][13CH2][13CH2][13C](O)=O Amb19132555 [1,0,0,0,0,0|0,0,1]=2 334 B6R0.4 SCCCC(=O)O Amb16185429 [1,0,0,0,0,0|0,1,1]=3 335 B6R0.4 [C-]#[N+]CCC(N)=O Amb24411954 [1,0,0,0,0,0|3,0,0]=4 336 B6R0.4 [N-]=[N+]=NCC(=O)O Amb10070956 [1,0,0,0,0,0|3,0,0]=4 337 B6R0.4 [O-][N+](=O)CCC=O Amb24052990 [1,0,0,0,0,0|1,0,1]=3 338 B6R0.4 [O-][N+](=O)CCCO Amb20247690 [1,0,0,0,0,0|1,0,2]=4 339 B8R0.9 BC(=O)NCC(=O)OC Amb22343192 [0,1,0,0,0,0|2,0,0]=3 340 B8R0.9 BC(=O)NCC(=O)OC Amb25264831 [0,1,0,0,0,0|2,0,0]=3 341 B8R0.9 BOC(O)=CCC(O)=O Amb25179903 [0,1,0,0,0,0|0,0,2]=3 342 B8R0.9 C#CC(=O)NCC(N)=O Amb24732631 [0,1,0,0,0,0|3,0,0]=4 343 B8R0.9 C#CC(N)CCC(O)=O Amb22352566 [0,1,0,0,0,0|2,0,1]=4 344 B8R0.9 C=C(CCC(N)=O)C=C Amb25352097 [0,1,0,0,0,0|3,0,0]=4 345 B8R0.9 C=C(CCC(O)=O)C#N Amb24465180 [0,1,0,0,0,0|2,0,0]=3 346 B8R0.9 C=C(CCC(O)=O)C=C Amb18642412 [0,1,0,0,0,0|2,0,0]=3 347 B8R0.9 C=CC(=O)CCC(O)=O Amb22055999 [0,1,0,0,0,0|1,0,0]=2 348 B8R0.9 C=CC(N)CCC(O)=O Amb22056347 [0,1,0,0,0,0|2,0,1]=4 349 B8R0.9 C=CC(O)CCC(O)=O Amb25785193 [0,1,0,0,0,0|1,0,1]=3 350 B8R0.9 C=C[C@H](N)CCC(O)=O Amb25694354 [0,1,0,0,0,0|2,0,1]=4 351 B8R0.9 CC(=CCC(O)=O)C#N Amb25175102 [0,1,0,0,0,0|2,0,1]=4 352 B8R0.9 CC(=O)C#CC(=O)OC Amb25031911 [0,1,0,0,0,0|1,0,2]=4 353 B8R0.9 CC(=O)CCC(=C)C#N Amb25086729 [0,1,0,0,0,0|3,0,0]=4 354 B8R0.9 CC(=O)CCC(=C)C=O Amb24640352 [0,1,0,0,0,0|2,0,0]=3 355 B8R0.9 CC(=O)CCC(=C)CC Amb24433642 [0,1,0,0,0,0|3,0,0]=4 356 B8R0.9 CC(=O)CCC(=O)C=C Amb10562681 [0,1,0,0,0,0|2,0,0]=3 357 B8R0.9 CC(=O)CCC(=O)C=O Amb25224384 [0,1,0,0,0,0|1,0,1]=3 358 B8R0.9 CC(=O)CCC(=O)NN Amb25793418 [0,1,0,0,0,0|2,0,0]=3 359 B8R0.9 CC(=O)CCC(Cl)C=O Amb25275061 [0,1,0,0,0,0|2,0,1]=4 360 B8R0.9 CC(=O)CCC(Cl)CO Amb25274671 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.9 CC(=O)CCC(F)CO Amb25200909 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.9 CC(=O)CCC(N)CO Amb25257834 [0,1,0,0,0,0|2,0,1]=4 363 B8R0.9 CC(=O)CCC(O)C=C Amb24614737 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.9 CC(=O)CCC(O)CCl Amb25118823 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.9 CC(=O)CNC(=O)C=C Amb25162799 [0,1,0,0,0,0|3,0,0]=4 366 B8R0.9 CC(=O)CNC(=O)CC Amb25292227 [0,1,0,0,0,0|3,0,0]=4 367 B8R0.9 CC(=O)CNC(=O)CN Amb25837037 [0,1,0,0,0,0|3,0,0]=4 368 B8R0.9 CC(=O)CNC(=O)NC Amb25228227 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.9 CC(=O)COC(=O)C=O Amb18642738 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.9 CC(=O)COC(=O)OC Amb25177471 [0,1,0,0,0,0|2,0,0]=3 371 B8R0.9 CC(=O)CSC(=O)OC Amb25318847 [0,1,0,0,0,0|2,0,0]=3 372 B8R0.9 CC(=O)NCC(=O)CBr Amb24590234 [0,1,0,0,0,0|3,0,0]=4 373 B8R0.9 CC(=O)NCC(=O)CC Amb23555728 [0,1,0,0,0,0|3,0,0]=4 374 B8R0.9 CC(=O)NCC(=O)NN Amb24524168 [0,1,0,0,0,0|3,0,0]=4 375 B8R0.9 CC(=O)NCC(=O)NO Amb25340085 [0,1,0,0,0,0|2,0,0]=3 376 B8R0.9 CC(=O)NCC(=S)OC Amb25041236 [0,1,0,0,0,0|2,1,0]=4 377 B8R0.9 CC(=O)NC\C(\N)=N/O Amb19650814 [0,1,0,0,0,0|3,0,0]=4 378 B8R0.9 CC(=O)NC\C(\N)=N\O Amb21912454 [0,1,0,0,0,0|3,0,0]=4 379 B8R0.9 CC(=O)NNC(=O)OC Amb24677256 [0,1,0,0,0,0|3,0,0]=4 380 B8R0.9 CC(=O)OCC(=C)C=O Amb25050286 [0,1,0,0,0,0|3,0,0]=4 381 B8R0.9 CC(=O)OCC(=O)C=C Amb17607380 [0,1,0,0,0,0|3,0,0]=4 382 B8R0.9 CC(=O)OCC(=O)CCl Amb19944668 [0,1,0,0,0,0|3,0,0]=4 383 B8R0.9 CC(=O)OCC(=O)CF Amb25744125 [0,1,0,0,0,0|3,0,0]=4 384 B8R0.9 CC(=O)OCC(=O)CS Amb24456592 [0,1,0,0,0,0|2,1,0]=4 385 B8R0.9 CC(=O)ONC(=O)CO Amb24431913 [0,1,0,0,0,0|3,0,0]=4 386 B8R0.9 CC(=O)\C=C/C(=O)OC Amb25031885 [0,1,0,0,0,0|1,0,2]=4 387 B8R0.9 CC(=O)\C=C\C(=O)CO Amb24686389 [0,1,0,0,0,0|1,0,2]=4 388 B8R0.9 CC(=O)\C=C\C(=O)OC Amb22336182 [0,1,0,0,0,0|1,0,2]=4 389 B8R0.9 CC(C)CCC(=O)CO Amb25053147 [0,1,0,0,0,0|2,0,1]=4 390 B8R0.9 CC(CBr)CCC(O)=O Amb25806134 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.9 CC(CCC(C)=O)=CCl Amb24581923 [0,1,0,0,0,0|3,0,0]=4 392 B8R0.9 CC(CCC(C)=O)=NO Amb24760824 [0,1,0,0,0,0|2,0,0]=3 393 B8R0.9 CC(CCC(C)=O)C=O Amb18642612 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.9 CC(CCC(O)=O)=NN Amb24579336 [0,1,0,0,0,0|2,0,0]=3 395 B8R0.9 CC(CCC(O)=O)=NO Amb25138471 [0,1,0,0,0,0|1,0,0]=2 396 B8R0.9 CC(CCC(O)=O)C#N Amb18642500 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.9 CC(CCC(O)=O)C=C Amb18642631 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.9 CC(CN)CCC(O)=O Amb22059189 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.9 CC(CO)OCC(O)=O Amb25675017 [0,1,0,0,0,0|2,0,1]=4 400 B8R0.9 CC(CO)SCC(O)=O Amb18644427 [0,1,0,0,0,0|2,0,1]=4 401 B8R0.9 CC(O)CCC(=O)NN Amb19748590 [0,1,0,0,0,0|2,0,1]=4 402 B8R0.9 CC(O)CCC(C)=NO Amb24749620 [0,1,0,0,0,0|2,0,1]=4 403 B8R0.9 CC(O)CCC(O)C=O Amb18642880 [0,1,0,0,0,0|1,0,2]=4 404 B8R0.9 CC(O)CNC(=O)CO Amb25703101 [0,1,0,0,0,0|2,0,1]=4 405 B8R0.9 CCC(=O)CCB(O)O Amb24736642 [0,1,0,0,0,0|2,0,1]=4 406 B8R0.9 CCC(=O)CCC(=O)C Amb17593347 [0,1,0,0,0,0|2,0,0]=3 407 B8R0.9 CCC(=O)CCC(=O)Cl Amb24420925 [0,1,0,0,0,0|2,0,0]=3 408 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [0,1,0,0,0,0|1,0,0]=2 409 B8R0.9 CCC(=O)CCC(N)=O Amb24669836 [0,1,0,0,0,0|2,0,0]=3 410 B8R0.9 CCC(=O)CCP(O)=O Amb24748238 [0,1,0,0,0,0|2,0,0]=3 411 B8R0.9 CCC(=O)CC[N+]([O-])=O Amb25236332 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.9 CCC(=O)NCC(=O)N Amb17231864 [0,1,0,0,0,0|3,0,0]=4 413 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [0,1,0,0,0,0|2,0,0]=3 414 B8R0.9 CCC(=O)OCC(O)=O Amb18642872 [0,1,0,0,0,0|2,0,0]=3 415 B8R0.9 CCC(=O)\C=C\C(O)=O Amb18642585 [0,1,0,0,0,0|1,0,2]=4 416 B8R0.9 CCC(=S)SCC(O)=O Amb24480232 [0,1,0,0,0,0|2,1,0]=4 417 B8R0.9 CCC(C)CCC(O)=O Amb22352932 [0,1,0,0,0,0|2,0,1]=4 418 B8R0.9 CCC(Cl)=CCC(O)=O Amb24580821 [0,1,0,0,0,0|2,0,1]=4 419 B8R0.9 CCC(N)CCC(O)=O Amb21961489 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.9 CCC(O)CCC(C)=O Amb24586292 [0,1,0,0,0,0|2,0,1]=4 421 B8R0.9 CCC(O)NCC(O)=O Amb24445948 [0,1,0,0,0,0|2,0,1]=4 422 B8R0.9 CCS(=O)CCC(C)=O Amb25765620 [0,1,0,0,0,0|3,0,0]=4 423 B8R0.9 CC[C@@H](N)CCC(O)=O Amb25065764 [0,1,0,0,0,0|2,0,1]=4 424 B8R0.9 CC[C@H](N)CCC(O)=O Amb25835678 [0,1,0,0,0,0|2,0,1]=4 425 B8R0.9 CC[C@H](O)CCC(N)=O Amb25785287 [0,1,0,0,0,0|2,0,1]=4 426 B8R0.9 CC[S+](C)CCC(O)=O Amb25794477 [0,1,0,0,0,0|3,0,0]=4 427 B8R0.9 CN(CCC(N)=O)C=O Amb25146008 [0,1,0,0,0,0|3,0,0]=4 428 B8R0.9 CN(CCC(O)=O)C=O Amb18984989 [0,1,0,0,0,0|2,0,0]=3 429 B8R0.9 CN(CCC(O)=O)N=O Amb22729196 [0,1,0,0,0,0|2,0,0]=3 430 B8R0.9 CNC(=N)NCC(O)=O Amb24655458 [0,1,0,0,0,0|3,0,0]=4 431 B8R0.9 CNC(=N)SCC(O)=O Amb24403395 [0,1,0,0,0,0|3,0,0]=4 432 B8R0.9 CNC(=O)CCC(=O)C Amb17334107 [0,1,0,0,0,0|2,0,0]=3 433 B8R0.9 CNC(=O)CCC(=O)N Amb17334114 [0,1,0,0,0,0|2,0,0]=3 434 B8R0.9 CNC(=O)CCC(O)C Amb17334125 [0,1,0,0,0,0|2,0,1]=4 435 B8R0.9 CNC(=O)CCS(C)=O Amb24476726 [0,1,0,0,0,0|3,0,0]=4 436 B8R0.9 CNC(=O)CNC(O)=O Amb24740399 [0,1,0,0,0,0|2,0,0]=3 437 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [0,1,0,0,0,0|2,0,0]=3 438 B8R0.9 CNC(=O)NCC(N)=O Amb24481795 [0,1,0,0,0,0|3,0,0]=4 439 B8R0.9 CNC(=O)SCC(O)=O Amb24763198 [0,1,0,0,0,0|2,0,0]=3 440 B8R0.9 CNC(=S)SCC(O)=O Amb24649902 [0,1,0,0,0,0|2,1,0]=4 441 B8R0.9 CNC(C)CCC(O)=O Amb25339418 [0,1,0,0,0,0|2,0,1]=4 442 B8R0.9 COC(=N)CNC(N)=O Amb24515695 [0,1,0,0,0,0|3,0,0]=4 443 B8R0.9 COC(=O)C#CC(O)=O Amb22492669 [0,1,0,0,0,0|0,0,2]=3 444 B8R0.9 COC(=O)CCB(O)O Amb25705142 [0,1,0,0,0,0|1,0,1]=3 445 B8R0.9 COC(=O)CCC(=O)C Amb13777321 [0,1,0,0,0,0|1,0,0]=2 446 B8R0.9 COC(=O)CCC(C)Br Amb24340280 [0,1,0,0,0,0|2,0,1]=4 447 B8R0.9 COC(=O)CCC(C)Cl Amb24644384 [0,1,0,0,0,0|2,0,1]=4 448 B8R0.9 COC(=O)CCC(C)N Amb18642842 [0,1,0,0,0,0|2,0,1]=4 449 B8R0.9 COC(=O)CCC(Cl)Cl Amb25295532 [0,1,0,0,0,0|2,0,1]=4 450 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [0,1,0,0,0,0|1,0,0]=2 451 B8R0.9 COC(=O)CCC(N)=S Amb18108081 [0,1,0,0,0,0|1,1,0]=3 452 B8R0.9 COC(=O)CCS([O-])=O Amb21520328 [0,1,0,0,0,0|1,0,1]=3 453 B8R0.9 COC(=O)CC[C@@H](C)Cl Amb24480241 [0,1,0,0,0,0|2,0,1]=4 454 B8R0.9 COC(=O)CC[C@@H](C)N Amb24117060 [0,1,0,0,0,0|2,0,1]=4 455 B8R0.9 COC(=O)CC[C@@H](C)O Amb22388487 [0,1,0,0,0,0|1,0,1]=3 456 B8R0.9 COC(=O)CC[C@H](C)O Amb24351118 [0,1,0,0,0,0|1,0,1]=3 457 B8R0.9 COC(=O)CNC(=O)N Amb1126846 [0,1,0,0,0,0|2,0,0]=3 458 B8R0.9 COC(=O)CNS(C)=O Amb24536728 [0,1,0,0,0,0|3,0,0]=4 459 B8R0.9 COC(=O)CSC(C)O Amb25032211 [0,1,0,0,0,0|2,0,1]=4 460 B8R0.9 COC(=O)CSC(N)=N Amb20676059 [0,1,0,0,0,0|3,0,0]=4 461 B8R0.9 COC(=O)CSC(N)=O Amb24672643 [0,1,0,0,0,0|2,0,0]=3 462 B8R0.9 COC(=O)NCC(N)=N Amb24436947 [0,1,0,0,0,0|3,0,0]=4 463 B8R0.9 COC(=O)NC[C@H](C)O Amb25111936 [0,1,0,0,0,0|2,0,1]=4 464 B8R0.9 COC(=O)\C=C\C(=O)Cl Amb25060248 [0,1,0,0,0,0|1,0,2]=4 465 B8R0.9 COC(=O)\C=C\C(=O)O Amb10071357 [0,1,0,0,0,0|0,0,2]=3 466 B8R0.9 COC(=O)\C=C\C(N)=O Amb24458702 [0,1,0,0,0,0|1,0,2]=4 467 B8R0.9 COC(=O)\C=C\C([O-])=O Amb24121535 [0,1,0,0,0,0|0,0,3]=4 468 B8R0.9 COC(=S)NCC(O)=O Amb25146013 [0,1,0,0,0,0|1,1,0]=3 469 B8R0.9 COC(C)CCC(O)=O Amb24271104 [0,1,0,0,0,0|1,0,1]=3 470 B8R0.9 COC(C)OCC(O)=O Amb24417299 [0,1,0,0,0,0|2,0,1]=4 471 B8R0.9 COP(O)CCC(O)=O Amb22734636 [0,1,0,0,0,0|1,0,1]=3 472 B8R0.9 CO[C@H](C)CCC(O)=O Amb24383667 [0,1,0,0,0,0|1,0,1]=3 473 B8R0.9 CSC(=S)OCC(O)=O Amb25065342 [0,1,0,0,0,0|1,2,0]=4 474 B8R0.9 CSC(=S)SCC(O)=O Amb24479938 [0,1,0,0,0,0|1,2,0]=4 475 B8R0.9 CSC(C)CCC(O)=O Amb22059071 [0,1,0,0,0,0|1,1,1]=4 476 B8R0.9 C[C@@H](CBr)CCC(O)=O Amb24458738 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.9 C[C@@H](CC)CCC(=O)O Amb16231507 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.9 C[C@@H](CCC(C)=O)C=O Amb24441758 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.9 C[C@@H](CCC(O)=O)C=C Amb25859365 [0,1,0,0,0,0|2,0,1]=4 480 B8R0.9 C[C@H](CCC(O)=O)C#C Amb25250566 [0,1,0,0,0,0|2,0,1]=4 481 B8R0.9 C[C@H](O)CCC(=O)NN Amb24395110 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.9 C\C(\C=C)=C/CC(O)=O Amb25305754 [0,1,0,0,0,0|2,0,1]=4 483 B8R0.9 C\C(\C=CC(O)=O)=N\O Amb24640839 [0,1,0,0,0,0|1,0,2]=4 484 B8R0.9 C\C(\CC)=C/CC(O)=O Amb22011800 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.9 C\C(\CCC(C)=O)=C/C Amb25768510 [0,1,0,0,0,0|3,0,0]=4 486 B8R0.9 C\C(\CCC(C)=O)=C\C Amb24610198 [0,1,0,0,0,0|3,0,0]=4 487 B8R0.9 C\C(\CCC(C)=O)=N/O Amb24422445 [0,1,0,0,0,0|2,0,0]=3 488 B8R0.9 C\C(\CCC(O)=O)=C\C Amb24681032 [0,1,0,0,0,0|2,0,0]=3 489 B8R0.9 C\C(\CCC(O)=O)=N\N Amb24382718 [0,1,0,0,0,0|2,0,0]=3 490 B8R0.9 C\C=C(/Br)\CCC(O)=O Amb25685237 [0,1,0,0,0,0|2,0,0]=3 491 B8R0.9 C\C=C(\Br)/CCC(O)=O Amb25210030 [0,1,0,0,0,0|2,0,0]=3 492 B8R0.9 C\C=C(\F)/CCC(O)=O Amb24670842 [0,1,0,0,0,0|2,0,0]=3 493 B8R0.9 NC(=O)CCC(=O)N=O Amb24445359 [0,1,0,0,0,0|1,0,1]=3 494 B8R0.9 NC(=O)CCC(=O)NBr Amb24390936 [0,1,0,0,0,0|2,0,0]=3 495 B8R0.9 NC(=O)CCC(=O)NCl Amb24425513 [0,1,0,0,0,0|2,0,0]=3 496 B8R0.9 NC(=O)CCC(=O)NO Amb24340146 [0,1,0,0,0,0|1,0,0]=2 497 B8R0.9 NC(=O)CNC(=O)CBr Amb25201255 [0,1,0,0,0,0|3,0,0]=4 498 B8R0.9 NC(=O)CNC(=O)CN Amb22730172 [0,1,0,0,0,0|3,0,0]=4 499 B8R0.9 NC(=O)CNC(=O)CN Amb22734748 [0,1,0,0,0,0|3,0,0]=4 500 B8R0.9 NC(=O)CNC(=O)CS Amb24405222 [0,1,0,0,0,0|2,1,0]=4 501 B8R0.9 NC(=O)COC(=O)CO Amb25739390 [0,1,0,0,0,0|2,0,0]=3 502 B8R0.9 NC(=O)NCC(=O)NN Amb24477825 [0,1,0,0,0,0|3,0,0]=4 503 B8R0.9 NC(=O)NNC(=O)CO Amb25328968 [0,1,0,0,0,0|3,0,0]=4 504 B8R0.9 NC(C=C)CCC(=O)O Amb10843623 [0,1,0,0,0,0|2,0,1]=4 505 B8R0.9 NC(CCC(O)=O)CO Amb18642916 [0,1,0,0,0,0|1,0,1]=3 506 B8R0.9 NC(CF)CCC(O)=O Amb19148378 [0,1,0,0,0,0|2,0,1]=4 507 B8R0.9 NC(NCC(N)=O)=NO Amb25759831 [0,1,0,0,0,0|3,0,0]=4 508 B8R0.9 NC(NCC(O)=O)=NO Amb24568694 [0,1,0,0,0,0|2,0,0]=3 509 B8R0.9 NCC(=O)CC[13C](O)=O Amb22367280 [0,1,0,0,0,0|1,0,0]=2 510 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [0,1,0,0,0,0|2,0,0]=3 511 B8R0.9 NCC(=O)OCC(O)=O Amb25710415 [0,1,0,0,0,0|2,0,0]=3 512 B8R0.9 NCC(=O)[13CH2]CC(=O)O Amb17608125 [0,1,0,0,0,0|1,0,0]=2 513 B8R0.9 NCC(=S)NCC(O)=O Amb25077168 [0,1,0,0,0,0|2,1,0]=4 514 B8R0.9 NCC(N)CCC(O)=O Amb19328773 [0,1,0,0,0,0|2,0,1]=4 515 B8R0.9 NCC(O)CCC(N)=O Amb24340194 [0,1,0,0,0,0|2,0,1]=4 516 B8R0.9 NCC(O)CCC(O)=O Amb18124376 [0,1,0,0,0,0|1,0,1]=3 517 B8R0.9 NCC(O)CCP(O)=O Amb24760103 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.9 NC[C@H](O)CCC(O)=O Amb24383262 [0,1,0,0,0,0|1,0,1]=3 519 B8R0.9 NNC(=N)NCC(O)=O Amb24477722 [0,1,0,0,0,0|3,0,0]=4 520 B8R0.9 NNC(=O)CCC(O)=O Amb22270256 [0,1,0,0,0,0|1,0,0]=2 521 B8R0.9 NNC(=O)CNC(O)=O Amb25093417 [0,1,0,0,0,0|2,0,0]=3 522 B8R0.9 NNC(=O)\C=C/C(O)=O Amb25046308 [0,1,0,0,0,0|1,0,2]=4 523 B8R0.9 N[13CH2]C(=O)CCC(O)=O Amb22367582 [0,1,0,0,0,0|1,0,0]=2 524 B8R0.9 N[C@@H](CCC(N)=O)C=O Amb25104754 [0,1,0,0,0,0|2,0,1]=4 525 B8R0.9 N[C@@H](CCC(O)=O)C=O Amb24347675 [0,1,0,0,0,0|1,0,1]=3 526 B8R0.9 N[C@@H](CCC(O)=O)CO Amb24685421 [0,1,0,0,0,0|1,0,1]=3 527 B8R0.9 N[C@H](C=C)CCC(=O)O Amb17621248 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.9 N[C@H](CCC(O)=O)CO Amb25352213 [0,1,0,0,0,0|1,0,1]=3 529 B8R0.9 N[C@H](CF)CCC(O)=O Amb25339395 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.9 N[C@H](CO)CCC(N)=O Amb24368577 [0,1,0,0,0,0|2,0,1]=4 531 B8R0.9 N[C@H](CS)CCC(O)=O Amb25348403 [0,1,0,0,0,0|1,1,1]=4 532 B8R0.9 O=C(Cl)COC(=O)CCl Amb24339381 [0,1,0,0,0,0|3,0,0]=4 533 B8R0.9 O=NN(CCC(=O)O)C Amb17618592 [0,1,0,0,0,0|2,0,0]=3 534 B8R0.9 OC(=O)CCC(=O)C=O Amb18642737 [0,1,0,0,0,0|0,0,1]=2 535 B8R0.9 OC(=O)CCC(=O)CBr Amb18652012 [0,1,0,0,0,0|1,0,0]=2 536 B8R0.9 OC(=O)CCC(=O)CCl Amb25736440 [0,1,0,0,0,0|1,0,0]=2 537 B8R0.9 OC(=O)CCC(=O)CO Amb18642867 [0,1,0,0,0,0|0,0,0]=1 538 B8R0.9 OC(=O)CCC(Br)CBr Amb24575822 [0,1,0,0,0,0|2,0,1]=4 539 B8R0.9 OC(=O)CCC([NH3+])C=C Amb10845648 [0,1,0,0,0,0|2,0,1]=4 540 B8R0.9 OC(=O)CNC(=O)C=O Amb25328169 [0,1,0,0,0,0|1,0,1]=3 541 B8R0.9 OC(=O)CNC(=O)CBr Amb18130258 [0,1,0,0,0,0|2,0,0]=3 542 B8R0.9 OC(=O)CNC(=O)CCl Amb1144436 [0,1,0,0,0,0|2,0,0]=3 543 B8R0.9 OC(=O)CNC(=O)CO Amb18124375 [0,1,0,0,0,0|1,0,0]=2 544 B8R0.9 OC(=O)CNC(=O)NO Amb25228420 [0,1,0,0,0,0|1,0,0]=2 545 B8R0.9 OC(=O)COC(=O)CCl Amb18644547 [0,1,0,0,0,0|2,0,0]=3 546 B8R0.9 OC(=O)\C=C\C(=O)CBr Amb25718709 [0,1,0,0,0,0|1,0,2]=4 547 B8R0.9 OC(=O)\C=C\C(=O)CO Amb18642735 [0,1,0,0,0,0|0,0,2]=3 548 B8R0.9 OC(=O)\C=C\C(=O)O[Na] Amb22337964 [0,1,0,0,0,0|0,0,2]=3 549 B8R0.9 OC(=O)\C=C\C(=O)O[Na] Amb22338796 [0,1,0,0,0,0|0,0,2]=3 550 B8R0.9 OC(CCC(O)=O)=NO Amb24745795 [0,1,0,0,0,0|0,0,1]=2 551 B8R0.9 OCC(O)CCC(O)=O Amb18124400 [0,1,0,0,0,0|0,0,2]=3 552 B8R0.9 OC[C@H](O)CCC(O)=O Amb24528896 [0,1,0,0,0,0|0,0,2]=3 553 B8R0.9 ONC(=O)/C=C\C(O)=O Amb17673396 [0,1,0,0,0,0|0,0,2]=3 554 B8R0.9 ONC(=O)CCC(F)F Amb24414532 [0,1,0,0,0,0|2,0,1]=4 555 B8R0.23 BrC(C(=O)O)CC(C)C Amb16233356 [0,1,0,0,0,0|2,0,1]=4 556 B8R0.23 C=C(Br)C(O)CC(O)=O Amb24648348 [0,1,0,0,0,0|2,0,0]=3 557 B8R0.23 C=C(Br)CC(N)C(O)=O Amb24557771 [0,1,0,0,0,0|2,0,0]=3 558 B8R0.23 C=C(Br)C[C@@H](N)C(O)=O Amb22746251 [0,1,0,0,0,0|2,0,0]=3 559 B8R0.23 C=C(CC(=O)Cl)C(O)=O Amb25227983 [0,1,0,0,0,0|1,0,1]=3 560 B8R0.23 C=C(CC(N)=O)C(N)=O Amb25338425 [0,1,0,0,0,0|2,0,1]=4 561 B8R0.23 C=C(CC(N)=O)C(O)=O Amb24333452 [0,1,0,0,0,0|1,0,1]=3 562 B8R0.23 C=C(CC(O)=O)C(N)=O Amb22011744 [0,1,0,0,0,0|1,0,1]=3 563 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22731973 [0,1,0,0,0,0|0,0,3]=4 564 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22732122 [0,1,0,0,0,0|0,0,3]=4 565 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22732709 [0,1,0,0,0,0|0,0,3]=4 566 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22734239 [0,1,0,0,0,0|0,0,3]=4 567 B8R0.23 C=C(Cl)CC(N)C(O)=O Amb24411473 [0,1,0,0,0,0|2,0,0]=3 568 B8R0.23 C=C(F)CC(N)C(O)=O Amb24580886 [0,1,0,0,0,0|2,0,0]=3 569 B8R0.23 C=C(I)CC(N)C(O)=O Amb25842052 [0,1,0,0,0,0|2,0,0]=3 570 B8R0.23 C=C(O)CC(O)C(O)O Amb24730260 [0,1,0,0,0,0|1,0,2]=4 571 B8R0.23 CC(=C)C(C)CC(O)=O Amb18642614 [0,1,0,0,0,0|2,0,0]=3 572 B8R0.23 CC(=C)C(N)CC(N)=O Amb24401112 [0,1,0,0,0,0|3,0,0]=4 573 B8R0.23 CC(=C)C(O)CC(O)=O Amb18642756 [0,1,0,0,0,0|2,0,0]=3 574 B8R0.23 CC(=C)CC(=C)C(O)=O Amb24669131 [0,1,0,0,0,0|2,0,1]=4 575 B8R0.23 CC(=C)CC(C)C(N)=O Amb24475657 [0,1,0,0,0,0|3,0,0]=4 576 B8R0.23 CC(=C)CC(C)C(O)=O Amb24471924 [0,1,0,0,0,0|2,0,0]=3 577 B8R0.23 CC(=C)CC(O)C(O)=O Amb24534477 [0,1,0,0,0,0|2,0,0]=3 578 B8R0.23 CC(=C)C[C@@H](C(=O)O)C Amb10843988 [0,1,0,0,0,0|2,0,0]=3 579 B8R0.23 CC(=C)C[C@@H](C)C(O)=O Amb24340253 [0,1,0,0,0,0|2,0,0]=3 580 B8R0.23 CC(=C)C[C@@H](N)C(O)=O Amb22801689 [0,1,0,0,0,0|2,0,0]=3 581 B8R0.23 CC(=C)C[C@H](N)C(O)=O Amb25757900 [0,1,0,0,0,0|2,0,0]=3 582 B8R0.23 CC(=C)[C@@H](O)CC(O)=O Amb25789715 [0,1,0,0,0,0|2,0,0]=3 583 B8R0.23 CC(=CC(N)=O)C(O)=O Amb24744881 [0,1,0,0,0,0|1,0,2]=4 584 B8R0.23 CC(=O)C(=O)CC(C)=O Amb25806867 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.23 CC(=O)C(C)CC(O)=O Amb18292788 [0,1,0,0,0,0|1,0,0]=2 586 B8R0.23 CC(=O)C(C)OC(=O)Cl Amb24721759 [0,1,0,0,0,0|3,0,0]=4 587 B8R0.23 CC(=O)C(C)SC(C)=O Amb25833387 [0,1,0,0,0,0|3,0,0]=4 588 B8R0.23 CC(=O)C(Cl)CC(O)=O Amb24426109 [0,1,0,0,0,0|1,0,0]=2 589 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,1,0,0,0,0|2,0,0]=3 590 B8R0.23 CC(=O)C(O)=CC(O)=O Amb25261166 [0,1,0,0,0,0|1,0,2]=4 591 B8R0.23 CC(=O)C(O)CC(O)=O Amb25341886 [0,1,0,0,0,0|1,0,0]=2 592 B8R0.23 CC(=O)CC(=O)C(O)=O Amb18642736 [0,1,0,0,0,0|1,0,1]=3 593 B8R0.23 CC(=O)CC(Br)C(O)=O Amb24710683 [0,1,0,0,0,0|1,0,0]=2 594 B8R0.23 CC(=O)CC(C)C(O)=S Amb24061827 [0,1,0,0,0,0|1,1,0]=3 595 B8R0.23 CC(=O)CC(N)C(O)=O Amb18832532 [0,1,0,0,0,0|1,0,0]=2 596 B8R0.23 CC(=O)CC(N)C(O)=O Amb22546289 [0,1,0,0,0,0|1,0,0]=2 597 B8R0.23 CC(=O)CC(O)C(O)=O Amb22500917 [0,1,0,0,0,0|1,0,0]=2 598 B8R0.23 CC(=O)C[C@@H](C)C(C)=C Amb25347412 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.23 CC(=O)C[C@@H](C)C(O)=O Amb24369598 [0,1,0,0,0,0|1,0,0]=2 600 B8R0.23 CC(=O)C[C@@H](N)C(O)=O Amb22745939 [0,1,0,0,0,0|1,0,0]=2 601 B8R0.23 CC(=O)C[C@H](O)C(O)=O Amb24358758 [0,1,0,0,0,0|1,0,0]=2 602 B8R0.23 CC(=O)NC(C(=O)N)N Amb10558230 [0,1,0,0,0,0|3,0,0]=4 603 B8R0.23 CC(=O)NC(O)C(O)=O Amb25146184 [0,1,0,0,0,0|2,0,0]=3 604 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl Amb25032144 [0,1,0,0,0,0|3,0,0]=4 605 B8R0.23 CC(=O)N[C@@H](C)C(N)=O Amb22168264 [0,1,0,0,0,0|3,0,0]=4 606 B8R0.23 CC(=O)N[C@H](C)C(N)=O Amb24478101 [0,1,0,0,0,0|3,0,0]=4 607 B8R0.23 CC(=O)N[C@H](C)C(O)=O Amb19944277 [0,1,0,0,0,0|2,0,0]=3 608 B8R0.23 CC(=O)OC(C)C(O)=O Amb22360672 [0,1,0,0,0,0|2,0,0]=3 609 B8R0.23 CC(=O)O[C@@H](C)C(N)=O Amb25733380 [0,1,0,0,0,0|3,0,0]=4 610 B8R0.23 CC(=O)SC(C)C(O)=O Amb25719066 [0,1,0,0,0,0|2,0,0]=3 611 B8R0.23 CC(=O)[C@@H](C)CC(O)=O Amb25145964 [0,1,0,0,0,0|1,0,0]=2 612 B8R0.23 CC(=O)[C@@H](C)OC(C)=O Amb25205804 [0,1,0,0,0,0|3,0,0]=4 613 B8R0.23 CC(=O)[C@@H](N)CC(O)=O Amb25064775 [0,1,0,0,0,0|1,0,0]=2 614 B8R0.23 CC(=O)[C@H](C)CC(O)=O Amb25360184 [0,1,0,0,0,0|1,0,0]=2 615 B8R0.23 CC(=O)[C@H](C)NC(C)=O Amb24072918 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.23 CC(=O)\C(\C)=C\C(O)=O Amb22359749 [0,1,0,0,0,0|1,0,2]=4 617 B8R0.23 CC(=O)\C=C(/Br)\C(O)=O Amb24739508 [0,1,0,0,0,0|1,0,2]=4 618 B8R0.23 CC(=O)\C=C(/C)\C(O)=O Amb18642577 [0,1,0,0,0,0|1,0,2]=4 619 B8R0.23 CC(=O)\C=C(\C)/C(O)=O Amb24582978 [0,1,0,0,0,0|1,0,2]=4 620 B8R0.23 CC(=O)\C=C(\O)/C(O)=O Amb25856143 [0,1,0,0,0,0|1,0,2]=4 621 B8R0.23 CC(=S)CC(C)C(O)=O Amb24588975 [0,1,0,0,0,0|1,1,0]=3 622 B8R0.23 CC(=S)N[C@@H](C)C(O)=O Amb24529119 [0,1,0,0,0,0|2,1,0]=4 623 B8R0.23 CC(C(C)C)CC(=O)O Amb10844380 [0,1,0,0,0,0|2,0,1]=4 624 B8R0.23 CC(C)=C(C)CC(O)=O Amb18642613 [0,1,0,0,0,0|2,0,1]=4 625 B8R0.23 CC(C)=C[C@@H](C)C(O)=O Amb25794277 [0,1,0,0,0,0|2,0,1]=4 626 B8R0.23 CC(C)=C[C@H](N)C(O)=O Amb24629144 [0,1,0,0,0,0|2,0,1]=4 627 B8R0.23 CC(C)C(F)CC(O)=O Amb25854273 [0,1,0,0,0,0|2,0,1]=4 628 B8R0.23 CC(C)CC(C)C(O)=O Amb18975244 [0,1,0,0,0,0|2,0,1]=4 629 B8R0.23 CC(C)CC(F)C(O)=O Amb24565634 [0,1,0,0,0,0|2,0,1]=4 630 B8R0.23 CC(C)CC(N)C(O)=O Amb22001061 [0,1,0,0,0,0|2,0,1]=4 631 B8R0.23 CC(C)CC(N)[13C](O)=O Amb22363198 [0,1,0,0,0,0|2,0,1]=4 632 B8R0.23 CC(C)CC(S)C(O)=O Amb18296292 [0,1,0,0,0,0|2,0,1]=4 633 B8R0.23 CC(C)CC([15NH2])C(O)=O Amb22351200 [0,1,0,0,0,0|2,0,1]=4 634 B8R0.23 CC(C)C[13CH](N)C(O)=O Amb22351309 [0,1,0,0,0,0|2,0,1]=4 635 B8R0.23 CC(C)C[13CH](N)[13C](O)=O Amb22367336 [0,1,0,0,0,0|2,0,1]=4 636 B8R0.23 CC(C)C[C@@H](Br)C(O)=O Amb24648832 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.23 CC(C)C[C@@H](Cl)C(O)=O Amb22800398 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.23 CC(C)C[C@@H](F)C(O)=O Amb24616998 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.23 CC(C)C[C@@H]([15NH2])C(O)=O Amb22801141 [0,1,0,0,0,0|2,0,1]=4 640 B8R0.23 CC(C)C[C@H](Br)C(O)=O Amb22226489 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.23 CC(C)C[C@H](Cl)C(O)=O Amb22388637 [0,1,0,0,0,0|2,0,1]=4 642 B8R0.23 CC(C)C[C@H](N)C(O)=O Amb22351113 [0,1,0,0,0,0|2,0,1]=4 643 B8R0.23 CC(C)C[C@H](S)C(O)=O Amb24457027 [0,1,0,0,0,0|2,0,1]=4 644 B8R0.23 CC(C)[C@@H](N)CC(O)=O Amb22226647 [0,1,0,0,0,0|2,0,1]=4 645 B8R0.23 CC(C)[C@@H](O)CC(O)=O Amb25761246 [0,1,0,0,0,0|2,0,1]=4 646 B8R0.23 CC(C)[C@H](N)CC(O)=O Amb20240790 [0,1,0,0,0,0|2,0,1]=4 647 B8R0.23 CC(C)[C@H](O)CC(O)=O Amb24561913 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,1,0,0,0,0|2,0,0]=3 649 B8R0.23 CC(CC(C)=O)C(C)O Amb24339979 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.23 CC(CC(C)=O)S(C)=O Amb25712236 [0,1,0,0,0,0|3,0,0]=4 651 B8R0.23 CC(CC(C)N)C(O)=O Amb20620336 [0,1,0,0,0,0|2,0,1]=4 652 B8R0.23 CC(CC(C)O)C(C)=O Amb25682085 [0,1,0,0,0,0|2,0,1]=4 653 B8R0.23 CC(CC(F)F)C(O)=O Amb22896466 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.23 CC(CC(N)=O)C(N)=N Amb25325023 [0,1,0,0,0,0|3,0,0]=4 655 B8R0.23 CC(CC(O)=O)=P(O)=O Amb25264110 [0,1,0,0,0,0|1,0,1]=3 656 B8R0.23 CC(CC(O)=O)C(C)N Amb23536744 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.23 CC(CC(O)=O)C(N)=O Amb25737942 [0,1,0,0,0,0|1,0,0]=2 658 B8R0.23 CC(CC(O)=O)N(C)N Amb25699365 [0,1,0,0,0,0|3,0,0]=4 659 B8R0.23 CC(CC(O)=O)S(C)=O Amb18974545 [0,1,0,0,0,0|2,0,0]=3 660 B8R0.23 CC(CC([O-])=O)S([O-])=O Amb22470749 [0,1,0,0,0,0|1,0,2]=4 661 B8R0.23 CC(CN(C)O)C(O)=O Amb24540617 [0,1,0,0,0,0|2,0,0]=3 662 B8R0.23 CC(CS(C)=O)C(O)=O Amb18974546 [0,1,0,0,0,0|2,0,0]=3 663 B8R0.23 CC(CS([O-])=O)C([O-])=O Amb22470748 [0,1,0,0,0,0|1,0,2]=4 664 B8R0.23 CC(F)CC(N)C(O)=O Amb25803619 [0,1,0,0,0,0|2,0,1]=4 665 B8R0.23 CC(N=C(N)S)C(O)=O Amb22229340 [0,1,0,0,0,0|2,1,0]=4 666 B8R0.23 CC(NC(=O)Cl)C(=O)Cl Amb25049171 [0,1,0,0,0,0|3,0,0]=4 667 B8R0.23 CC(NC(N)=N)C(O)=O Amb22522920 [0,1,0,0,0,0|3,0,0]=4 668 B8R0.23 CC(NC(S)=S)C(O)=O Amb25336384 [0,1,0,0,0,0|1,2,0]=4 669 B8R0.23 CC(NS(C)=O)C(O)=O Amb25241916 [0,1,0,0,0,0|3,0,0]=4 670 B8R0.23 CC(O)=CC(=O)C(O)=O Amb25047399 [0,1,0,0,0,0|1,0,2]=4 671 B8R0.23 CC(O)C(C)CC(O)=O Amb18293276 [0,1,0,0,0,0|1,0,1]=3 672 B8R0.23 CC(O)C(O)CC(C)=O Amb25708226 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.23 CC(O)CC(=O)C(O)=O Amb25789747 [0,1,0,0,0,0|1,0,2]=4 674 B8R0.23 CC(O)CC(C)C(O)=O Amb18293277 [0,1,0,0,0,0|1,0,1]=3 675 B8R0.23 CC(O)CC(N)C(O)=O Amb18642918 [0,1,0,0,0,0|1,0,1]=3 676 B8R0.23 CC(O)CC(O)C(N)=O Amb24523077 [0,1,0,0,0,0|2,0,1]=4 677 B8R0.23 CC(OC(N)=S)C(O)=O Amb25732591 [0,1,0,0,0,0|2,1,0]=4 678 B8R0.23 CC(S)CC(O)C(O)=O Amb25032270 [0,1,0,0,0,0|1,1,1]=4 679 B8R0.23 CN(C)CC(F)C(O)=O Amb25178248 [0,1,0,0,0,0|3,0,0]=4 680 B8R0.23 CN(C)CC(N)C(O)=O Amb22352274 [0,1,0,0,0,0|3,0,0]=4 681 B8R0.23 CN(C)CC(N)C(O)=O Amb23558085 [0,1,0,0,0,0|3,0,0]=4 682 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb19889770 [0,1,0,0,0,0|3,0,0]=4 683 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb22800468 [0,1,0,0,0,0|3,0,0]=4 684 B8R0.23 CN(C)C[C@H](N)C(O)=O Amb24078627 [0,1,0,0,0,0|3,0,0]=4 685 B8R0.23 CN(C)C[C@H](O)C(O)=O Amb24372674 [0,1,0,0,0,0|3,0,0]=4 686 B8R0.23 CN(CC(O)=O)C(N)=N Amb22002328 [0,1,0,0,0,0|3,0,0]=4 687 B8R0.23 CN(CC(O)=O)C(N)=N Amb22167307 [0,1,0,0,0,0|3,0,0]=4 688 B8R0.23 CN(CC(O)=O)C(N)=S Amb25115737 [0,1,0,0,0,0|2,1,0]=4 689 B8R0.23 CN(CC(O)=O)[13C](N)=N Amb22367285 [0,1,0,0,0,0|3,0,0]=4 690 B8R0.23 CS(=N)CC(N)C(O)=O Amb24374643 [0,1,0,0,0,0|3,0,0]=4 691 B8R0.23 CS(=O)CC(N)C(O)=O Amb18125279 [0,1,0,0,0,0|2,0,0]=3 692 B8R0.23 CS(=O)CC(O)C(O)=O Amb24692848 [0,1,0,0,0,0|2,0,0]=3 693 B8R0.23 CS(=O)C[C@@H](C(=O)O)N Amb16232229 [0,1,0,0,0,0|2,0,0]=3 694 B8R0.23 CS(=O)C[C@@H](N)C(O)=O Amb22745418 [0,1,0,0,0,0|2,0,0]=3 695 B8R0.23 C[C@@H](C(=O)O)CC(C)C Amb10844070 [0,1,0,0,0,0|2,0,1]=4 696 B8R0.23 C[C@@H](C(C)C)CC(=O)O Amb10844387 [0,1,0,0,0,0|2,0,1]=4 697 B8R0.23 C[C@@H](CC(O)=O)C(Cl)Cl Amb24480304 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.23 C[C@@H](CC(O)=O)C(O)=O Amb22226742 [0,1,0,0,0,0|0,0,0]=1 699 B8R0.23 C[C@@H](N)[C@@H](O)CC(O)=O Amb25188895 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.23 C[C@@H](NC(S)=S)C(O)=O Amb25073818 [0,1,0,0,0,0|1,2,0]=4 701 B8R0.23 C[C@@H](O)CC(=O)C(O)=O Amb25239377 [0,1,0,0,0,0|1,0,2]=4 702 B8R0.23 C[C@@H](O)C[C@H](N)C(O)=O Amb25162814 [0,1,0,0,0,0|1,0,1]=3 703 B8R0.23 C[C@@H](O)[C@@H](O)CC(O)=O Amb25267600 [0,1,0,0,0,0|1,0,1]=3 704 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22168848 [0,1,0,0,0,0|1,0,1]=3 705 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22756696 [0,1,0,0,0,0|1,0,1]=3 706 B8R0.23 C[C@H](C(=O)O)CC(C)C Amb10844071 [0,1,0,0,0,0|2,0,1]=4 707 B8R0.23 C[C@H](C(=O)O)CN(C)C Amb10844031 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.23 C[C@H](CC(N)=O)C(N)=O Amb25126983 [0,1,0,0,0,0|2,0,0]=3 709 B8R0.23 C[C@H](CC(N)=O)C(O)=O Amb25077589 [0,1,0,0,0,0|1,0,0]=2 710 B8R0.23 C[C@H](CC(O)=O)C(O)=O Amb22225399 [0,1,0,0,0,0|0,0,0]=1 711 B8R0.23 C[C@H](Cl)C[C@H](N)C(O)=O Amb25849347 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.23 C[C@H](N)[C@@H](O)CC(O)=O Amb25727721 [0,1,0,0,0,0|2,0,1]=4 713 B8R0.23 C[C@H](NC(N)=N)C(O)=O Amb24388432 [0,1,0,0,0,0|3,0,0]=4 714 B8R0.23 C[C@H](O)CC(=O)C(O)=O Amb25859340 [0,1,0,0,0,0|1,0,2]=4 715 B8R0.23 C[C@H](O)C[C@@H](C)C(O)=O Amb25114249 [0,1,0,0,0,0|1,0,1]=3 716 B8R0.23 C[C@H](O)C[C@H](N)C(O)=O Amb24461394 [0,1,0,0,0,0|1,0,1]=3 717 B8R0.23 C[C@H](OC(N)=O)C(O)=O Amb24427686 [0,1,0,0,0,0|2,0,0]=3 718 B8R0.23 C[S+](C)CC(O)C(O)=O Amb24373144 [0,1,0,0,0,0|3,0,0]=4 719 B8R0.23 C\C(=C\C(N)=O)\C(O)=O Amb25199871 [0,1,0,0,0,0|1,0,2]=4 720 B8R0.23 C\C(=C\C(O)=O)\C(=N)O Amb24387420 [0,1,0,0,0,0|1,0,2]=4 721 B8R0.23 C\C(\Cl)=C\C(Cl)C(O)=O Amb24710290 [0,1,0,0,0,0|2,0,1]=4 722 B8R0.23 ClC(=O)CC(=C)C(Cl)=O Amb17938995 [0,1,0,0,0,0|2,0,1]=4 723 B8R0.23 ClC(C(=O)O)CC(C)C Amb17593753 [0,1,0,0,0,0|2,0,1]=4 724 B8R0.23 F[C@H](C(=O)O)CC(C)C Amb10841083 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.23 NC(=O)C(Br)CC(N)=O Amb24373945 [0,1,0,0,0,0|2,0,0]=3 726 B8R0.23 NC(=O)C(N)CC(N)=O Amb18289248 [0,1,0,0,0,0|2,0,0]=3 727 B8R0.23 NC(=O)C(N)CC(O)=O Amb18124347 [0,1,0,0,0,0|1,0,0]=2 728 B8R0.23 NC(=O)C(O)CC(O)=O Amb25378786 [0,1,0,0,0,0|1,0,0]=2 729 B8R0.23 NC(=O)CC(=O)C(O)=O Amb25146116 [0,1,0,0,0,0|1,0,1]=3 730 B8R0.23 NC(=O)C[C@@H](C(=O)N)N Amb16183882 [0,1,0,0,0,0|2,0,0]=3 731 B8R0.23 NC(=O)C[C@@H](C(=O)O)C Amb10843937 [0,1,0,0,0,0|1,0,0]=2 732 B8R0.23 NC(=O)C[C@@H](O)C(O)=O Amb24681022 [0,1,0,0,0,0|1,0,0]=2 733 B8R0.23 NC(=O)C[C@H](Br)C(O)=O Amb25137878 [0,1,0,0,0,0|1,0,0]=2 734 B8R0.23 NC(=O)C[C@H](C(=O)O)N Amb10071271 [0,1,0,0,0,0|1,0,0]=2 735 B8R0.23 NC(=O)C[C@H](Cl)C(O)=O Amb24479999 [0,1,0,0,0,0|1,0,0]=2 736 B8R0.23 NC(=O)C[C@H]([15NH2])C(O)=O Amb22338491 [0,1,0,0,0,0|1,0,0]=2 737 B8R0.23 NC(=O)NC(=O)C(O)=O Amb18124345 [0,1,0,0,0,0|2,0,1]=4 738 B8R0.23 NC(=O)NC(N)C(O)=O Amb24418886 [0,1,0,0,0,0|2,0,0]=3 739 B8R0.23 NC(=O)NC(O)C(O)=O Amb22350130 [0,1,0,0,0,0|2,0,0]=3 740 B8R0.23 NC(=O)NC(O)C(O)=O Amb24592607 [0,1,0,0,0,0|2,0,0]=3 741 B8R0.23 NC(=O)[C@@H](N)CC(N)=O Amb22801077 [0,1,0,0,0,0|2,0,0]=3 742 B8R0.23 NC(=O)[C@@H](N)CC(O)=O Amb19334954 [0,1,0,0,0,0|1,0,0]=2 743 B8R0.23 NC(=O)[C@@H](O)CC(N)=O Amb24435465 [0,1,0,0,0,0|2,0,0]=3 744 B8R0.23 NC(=O)[C@H](Br)CC(N)=O Amb24480049 [0,1,0,0,0,0|2,0,0]=3 745 B8R0.23 NC(=O)\C=C(\Cl)/C(O)=O Amb24540540 [0,1,0,0,0,0|1,0,2]=4 746 B8R0.23 NC(=S)CC(N)C(O)=O Amb24728838 [0,1,0,0,0,0|1,1,0]=3 747 B8R0.23 NC(=S)N(N)CC(O)=O Amb24744103 [0,1,0,0,0,0|2,1,0]=4 748 B8R0.23 NC(C(=O)O)CC(F)F Amb13952714 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.23 NC(C(=O)O)CC(F)F Amb13952720 [0,1,0,0,0,0|2,0,1]=4 750 B8R0.23 NC(C(C)C)CC(=O)O Amb2436060 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.23 NC(C=C(Cl)Cl)C(O)=O Amb22350718 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.23 NC(CC(F)Cl)C(O)=O Amb24339513 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.23 NC(CC(O)=O)C(F)F Amb23570587 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.23 NC(CC(O)=O)C(O)=O Amb22730002 [0,1,0,0,0,0|0,0,0]=1 755 B8R0.23 NC(CC(O)=O)C([O-])=O Amb20241398 [0,1,0,0,0,0|0,0,1]=2 756 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22167994 [0,1,0,0,0,0|0,0,1]=2 757 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22330537 [0,1,0,0,0,0|0,0,1]=2 758 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22337568 [0,1,0,0,0,0|0,0,1]=2 759 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22349433 [0,1,0,0,0,0|0,0,1]=2 760 B8R0.23 NC(CC(O)=O)[13C](O)=O Amb22351321 [0,1,0,0,0,0|0,0,0]=1 761 B8R0.23 NC(CC([O-])=O)C(O)=O Amb22731484 [0,1,0,0,0,0|0,0,1]=2 762 B8R0.23 NC(CC([O-])=O)C([O-])=O Amb22168247 [0,1,0,0,0,0|0,0,2]=3 763 B8R0.23 NC(CN(S)S)C(O)=O Amb24655070 [0,1,0,0,0,0|1,2,0]=4 764 B8R0.23 NC(CS(=O)=O)C(O)=O Amb24480078 [0,1,0,0,0,0|1,0,1]=3 765 B8R0.23 NC(CS(N)=O)C(O)=O Amb25139436 [0,1,0,0,0,0|2,0,0]=3 766 B8R0.23 NC(CS(O)=O)C(O)=O Amb21913242 [0,1,0,0,0,0|1,0,0]=2 767 B8R0.23 NC(C[13C](O)=O)C(O)=O Amb22362630 [0,1,0,0,0,0|0,0,0]=1 768 B8R0.23 NC(C[13C](O)=O)[13C](O)=O Amb22353605 [0,1,0,0,0,0|0,0,0]=1 769 B8R0.23 NC(C[N+]([O-])=O)C(O)=O Amb24642660 [0,1,0,0,0,0|1,0,1]=3 770 B8R0.23 NC([13CH2]C(O)=O)C(O)=O Amb22336729 [0,1,0,0,0,0|0,0,0]=1 771 B8R0.23 N[13C@@H](CC(O)=O)[13C](O)=O Amb22353606 [0,1,0,0,0,0|0,0,0]=1 772 B8R0.23 N[13C](=O)[13CH2][13C@H](N)[13C](O)=O Amb22367522 [0,1,0,0,0,0|1,0,0]=2 773 B8R0.23 N[C@@H](C(C)C)CC(=O)O Amb16184024 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.23 N[C@@H](CB(O)O)C(O)=O Amb25844412 [0,1,0,0,0,0|1,0,1]=3 775 B8R0.23 N[C@@H](CC(Cl)Cl)C(O)=O Amb24746791 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb20241378 [0,1,0,0,0,0|0,0,1]=2 777 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22337725 [0,1,0,0,0,0|0,0,1]=2 778 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22352336 [0,1,0,0,0,0|0,0,1]=2 779 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22748705 [0,1,0,0,0,0|0,0,1]=2 780 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22801032 [0,1,0,0,0,0|0,0,1]=2 781 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb20240565 [0,1,0,0,0,0|0,0,1]=2 782 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb22748769 [0,1,0,0,0,0|0,0,1]=2 783 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17772217 [0,1,0,0,0,0|0,0,2]=3 784 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17912733 [0,1,0,0,0,0|0,0,2]=3 785 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22750690 [0,1,0,0,0,0|0,0,2]=3 786 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22757383 [0,1,0,0,0,0|0,0,2]=3 787 B8R0.23 N[C@@H](C[13C](N)=O)C(O)=O Amb22353613 [0,1,0,0,0,0|1,0,0]=2 788 B8R0.23 N[C@@H](C[N+]([O-])=O)C(O)=O Amb25710255 [0,1,0,0,0,0|1,0,1]=3 789 B8R0.23 N[C@@H]([13CH2][13C](O)=O)C(O)=O Amb22367550 [0,1,0,0,0,0|0,0,0]=1 790 B8R0.23 N[C@H](C(C)C)CC(=O)O Amb16184030 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.23 N[C@H](CC(F)F)C(O)=O Amb25117310 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.23 N[C@H](CC(N)=O)C(O)=O Amb17749060 [0,1,0,0,0,0|1,0,0]=2 793 B8R0.23 N[C@H](CC(O)=O)P(O)=O Amb25838846 [0,1,0,0,0,0|1,0,0]=2 794 B8R0.23 N[C@H](CN(S)S)C(O)=O Amb24564540 [0,1,0,0,0,0|1,2,0]=4 795 B8R0.23 N[C@H](CS(O)=O)C(O)=O Amb24366002 [0,1,0,0,0,0|1,0,0]=2 796 B8R0.23 O=C(Cl)C(Cl)CS(=O)Cl Amb24741781 [0,1,0,0,0,0|3,0,0]=4 797 B8R0.23 O=C(Cl)[C@H](Cl)CC(=O)Cl Amb24710716 [0,1,0,0,0,0|2,0,0]=3 798 B8R0.23 OC(=O)C(=S)CC(O)=O Amb25304511 [0,1,0,0,0,0|0,0,1]=2 799 B8R0.23 OC(=O)C(Cl)C=C(Cl)Cl Amb24635775 [0,1,0,0,0,0|2,0,1]=4 800 B8R0.23 OC(=O)C(Cl)CC(Cl)Cl Amb25350003 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.23 OC(=O)C(Cl)CS(O)=O Amb25708099 [0,1,0,0,0,0|1,0,0]=2 802 B8R0.23 OC(=O)C(F)CC(O)=O Amb25077170 [0,1,0,0,0,0|0,0,0]=1 803 B8R0.23 OC(=O)C(O)C=C(Cl)Cl Amb24355502 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.23 OC(=O)C(O)CC(=O)S Amb25690206 [0,1,0,0,0,0|0,1,0]=2 805 B8R0.23 OC(=O)C(O)CC(O)=O Amb21935660 [0,1,0,0,0,0|0,0,0]=1 806 B8R0.23 OC(=O)C(S)CC(O)=O Amb22729564 [0,1,0,0,0,0|0,0,0]=1 807 B8R0.23 OC(=O)CC(=C(Cl)Cl)Cl Amb2227973 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.23 OC(=O)CC(=O)C(=O)C Amb17593364 [0,1,0,0,0,0|1,0,1]=3 809 B8R0.23 OC(=O)CC(C(=O)O)C Amb1935053 [0,1,0,0,0,0|0,0,0]=1 810 B8R0.23 OC(=O)CC(O)C(=O)Cl Amb25700438 [0,1,0,0,0,0|1,0,0]=2 811 B8R0.23 OC(=O)CC(O)C(O)=O Amb22734584 [0,1,0,0,0,0|0,0,0]=1 812 B8R0.23 OC(=O)CC([N+](=O)[O-])O Amb2222216 [0,1,0,0,0,0|1,0,1]=3 813 B8R0.23 OC(=O)CN(C(=O)C)C Amb1111693 [0,1,0,0,0,0|2,0,0]=3 814 B8R0.23 OC(=O)CN(C(=O)N)C Amb2371395 [0,1,0,0,0,0|2,0,0]=3 815 B8R0.23 OC(=O)CN(C(=S)S)C Amb1042470 [0,1,0,0,0,0|1,2,0]=4 816 B8R0.23 OC(=O)C[C@@H](C(=O)O)N Amb16232085 [0,1,0,0,0,0|0,0,0]=1 817 B8R0.23 OC(=O)C[C@@H]([C@@H](O)C)N Amb16184021 [0,1,0,0,0,0|1,0,1]=3 818 B8R0.23 OC(=O)[13CH](O)CC(O)=O Amb22367337 [0,1,0,0,0,0|0,0,0]=1 819 B8R0.23 OC(=O)[C@@H](Cl)CC(Cl)Cl Amb25061364 [0,1,0,0,0,0|2,0,1]=4 820 B8R0.23 OC(=O)[C@@H](Cl)CC(O)=O Amb20242425 [0,1,0,0,0,0|0,0,0]=1 821 B8R0.23 OC(=O)[C@@H](S)CC(O)=O Amb22504526 [0,1,0,0,0,0|0,0,0]=1 822 B8R0.23 OC(=O)[C@H](Br)CC(O)=O Amb22504149 [0,1,0,0,0,0|0,0,0]=1 823 B8R0.23 OC(=O)[C@H](Cl)CC(O)=O Amb20242424 [0,1,0,0,0,0|0,0,0]=1 824 B8R0.23 OC(=O)[C@H](S)CC(O)=O Amb25124090 [0,1,0,0,0,0|0,0,0]=1 825 B8R0.23 OC(=O)\C(\Br)=C/C(O)=O Amb25746120 [0,1,0,0,0,0|0,0,2]=3 826 B8R0.23 OC(=O)\C(\Cl)=C/C(O)=O Amb24481892 [0,1,0,0,0,0|0,0,2]=3 827 B8R0.23 OC(=O)\C(\F)=C/C(O)=O Amb18124397 [0,1,0,0,0,0|0,0,2]=3 828 B8R0.23 OC(=O)\C(\I)=C/C(O)=O Amb25736420 [0,1,0,0,0,0|0,0,2]=3 829 B8R0.23 OC(C(C)C)CC(=O)O Amb17231878 [0,1,0,0,0,0|2,0,1]=4 830 B8R0.23 OC(CC(=O)Cl)C(=O)Cl Amb25680528 [0,1,0,0,0,0|2,0,0]=3 831 B8R0.23 OC(CC(F)F)C(O)=O Amb25274709 [0,1,0,0,0,0|2,0,1]=4 832 B8R0.23 OC(O)C[C@@H](O)C(O)=O Amb24524214 [0,1,0,0,0,0|0,0,2]=3 833 B8R0.23 O[13C](=O)[13CH2][13CH]([13C](=O)O)O Amb17616665 [0,1,0,0,0,0|0,0,0]=1 834 B8R0.23 O[C@@H](CC(=O)Cl)C(=O)Cl Amb25832731 [0,1,0,0,0,0|2,0,0]=3 835 B8R0.23 O[C@H](C(=O)O)CC(C)C Amb16232074 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.23 O[C@H](CC(F)F)C(O)=O Amb24641140 [0,1,0,0,0,0|2,0,1]=4 837 B8R0.23 [13CH3]N(CC(O)=O)C(N)=N Amb22367286 [0,1,0,0,0,0|3,0,0]=4 838 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337118 [0,1,0,0,0,0|2,0,1]=4 839 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22337484 [0,1,0,0,0,0|1,0,0]=2 840 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22351412 [0,1,0,0,0,0|1,0,0]=2 841 B8R0.23 [15NH2]C(CC(O)=O)C(O)=O Amb22731529 [0,1,0,0,0,0|0,0,0]=1 842 B8R0.23 [15NH2][13C@@H]([13CH2][13C](O)=O)[13C](O)=O Amb22353584 [0,1,0,0,0,0|0,0,0]=1 843 B8R0.23 [15NH2][13CH](CC(O)=O)C(O)=O Amb22351286 [0,1,0,0,0,0|0,0,0]=1 844 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337495 [0,1,0,0,0,0|1,0,0]=2 845 B8R0.23 [15NH2][C@@H](CC(O)=O)[13C](O)=O Amb22367524 [0,1,0,0,0,0|0,0,0]=1 846 B8R0.23 [O-]C(=O)C(O)CC([O-])=O Amb22230371 [0,1,0,0,0,0|0,0,2]=3 847 B8R0.23 [O-]C(=O)C([S-])CC([O-])=O Amb22337769 [0,1,0,0,0,0|0,0,2]=3 848 B8R0.23 [O-]C(=O)CC(O)C(O)=O Amb22734911 [0,1,0,0,0,0|0,0,1]=2 849 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22351833 [0,1,0,0,0,0|0,0,2]=3 850 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22801345 [0,1,0,0,0,0|0,0,2]=3 851 B8R0.29 CC(=O)CCS(C)(=O)=O Amb18181020 [0,1,0,0,0,0|2,0,1]=4 852 B8R0.29 CC(=O)CCS(N)(=O)=O Amb25204902 [0,1,0,0,0,0|2,0,1]=4 853 B8R0.29 CC(=O)NCS(O)(=O)=O Amb25235237 [0,1,0,0,0,0|3,0,0]=4 854 B8R0.29 CC(C)(Cl)CCC(O)=O Amb18644451 [0,1,0,0,0,0|2,0,1]=4 855 B8R0.29 CC(C)(O)CCC([O-])=O Amb24271108 [0,1,0,0,0,0|1,0,2]=4 856 B8R0.29 CC(C)(S)CCC(O)=O Amb22489759 [0,1,0,0,0,0|1,1,1]=4 857 B8R0.29 CC(C)([NH3+])CCC(O)=O Amb22372040 [0,1,0,0,0,0|2,0,1]=4 858 B8R0.29 CC(N)(F)CCC(O)=O Amb24672870 [0,1,0,0,0,0|2,0,1]=4 859 B8R0.29 CC(O)(O)NCC(O)=O Amb24715373 [0,1,0,0,0,0|1,0,2]=4 860 B8R0.29 CS(=O)(=O)OCC(O)=O Amb25783884 [0,1,0,0,0,0|2,0,1]=4 861 B8R0.29 C[N+](C)(C)CCC(O)=O Amb24117222 [0,1,0,0,0,0|3,0,0]=4 862 B8R0.29 C[Si](C)(C)CCC(O)=O Amb19894136 [0,1,0,0,0,0|2,1,0]=4 863 B8R0.29 C[Si](C)(C)CCC(O)=O Amb22274047 [0,1,0,0,0,0|2,1,0]=4 864 B8R0.29 C[Si](C)(O)CCC(O)=O Amb24680973 [0,1,0,0,0,0|1,1,0]=3 865 B8R0.29 NC(=O)CCS(O)(=O)=O Amb24678269 [0,1,0,0,0,0|2,0,0]=3 866 B8R0.29 NC(=O)COS(O)(=O)=O Amb24425511 [0,1,0,0,0,0|3,0,0]=4 867 B8R0.29 NC(=O)NCP(O)(O)=O Amb25311924 [0,1,0,0,0,0|3,0,0]=4 868 B8R0.29 O=C(Cl)CCS(=O)(=O)Cl Amb19149215 [0,1,0,0,0,0|2,0,1]=4 869 B8R0.29 OC(=O)CCC(Br)(F)F Amb10838819 [0,1,0,0,0,0|2,0,1]=4 870 B8R0.29 OC(=O)CCC(F)(Cl)Cl Amb25062982 [0,1,0,0,0,0|2,0,1]=4 871 B8R0.29 OC(=O)CCC(N)(C)C Amb13951332 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.29 OC(=O)CCP(=O)(O)C Amb1792559 [0,1,0,0,0,0|1,0,0]=2 873 B8R0.29 OC(=O)CCP(=O)(O)O Amb2228990 [0,1,0,0,0,0|1,0,0]=2 874 B8R0.29 OC(=O)CCS(=O)(=O)Cl Amb24481869 [0,1,0,0,0,0|1,0,1]=3 875 B8R0.29 OC(=O)CCS(=O)(=O)O Amb17399954 [0,1,0,0,0,0|1,0,0]=2 876 B8R0.29 OC(=O)CCS(=O)(=O)S Amb24627680 [0,1,0,0,0,0|1,0,1]=3 877 B8R0.29 OC(=O)CC[B-](F)(F)F Amb24351210 [0,1,0,0,0,0|3,0,0]=4 878 B8R0.29 OC(=O)CC[Ge](Cl)(Cl)Cl Amb19930252 [0,1,0,0,0,0|2,1,0]=4 879 B8R0.29 OC(=O)CC[P](O)(O)O Amb24543829 [0,1,0,0,0,0|1,0,1]=3 880 B8R0.29 OC(=O)CNC(O)(O)O Amb24671331 [0,1,0,0,0,0|1,0,2]=4 881 B8R0.29 OC(=O)CNP(O)(O)=O Amb25831517 [0,1,0,0,0,0|2,0,0]=3 882 B8R0.29 OC(=O)CNS(=O)(=O)C Amb1120433 [0,1,0,0,0,0|2,0,1]=4 883 B8R0.29 OC(=O)CNS(O)(=O)=O Amb25233409 [0,1,0,0,0,0|2,0,0]=3 884 B8R0.29 OC(=O)COCl(=O)(=O)=O Amb24532150 [0,1,0,0,0,0|2,0,1]=4 885 B8R0.29 OC(=O)COP(O)(O)=O Amb24442945 [0,1,0,0,0,0|2,0,0]=3 886 B8R0.29 OC(=O)COS(O)(=O)=O Amb25210824 [0,1,0,0,0,0|2,0,0]=3 887 B8R0.29 OC(=O)CSS(=O)(=O)C Amb17610576 [0,1,0,0,0,0|2,0,1]=4 888 B8R0.29 OC(=O)CSS(O)(=O)=O Amb24339336 [0,1,0,0,0,0|2,0,0]=3 889 B8R0.29 OC(=O)NCP(O)(=O)=O Amb22359211 [0,1,0,0,0,0|2,0,0]=3 890 B8R0.29 OC(=O)\C=C\P(O)(O)=O Amb25242468 [0,1,0,0,0,0|1,0,2]=4 891 B8R0.29 OC(=O)\C=C\S(O)(=O)=O Amb24649045 [0,1,0,0,0,0|1,0,2]=4 892 B8R0.29 [O-]C(=O)CC[Si](O)(O)O Amb19893682 [0,1,0,0,0,0|0,1,2]=4 893 B8R1.3 C=C1CCC(=O)C=C1 Amb24416744 [0,0,0,1,0,0|3,0,0]=4 894 B8R1.3 C=C1CCC(=O)CC1 Amb22229828 [0,0,0,1,0,0|3,0,0]=4 895 B8R1.3 CC1=CCC(=O)CC1 Amb17617292 [0,0,0,1,0,0|3,0,0]=4 896 B8R1.3 CC1CCC(=O)CO1 Amb22491005 [0,0,0,1,0,0|2,0,1]=4 897 B8R1.3 CC=1CCC(=O)NC1 Amb25078192 [0,0,0,1,0,0|3,0,0]=4 898 B8R1.3 C[C@H]1CCC(=O)CO1 Amb25262664 [0,0,0,1,0,0|2,0,1]=4 899 B8R1.3 O=C1CCC(=O)CN1 Amb15692796 [0,0,0,1,0,0|2,0,0]=3 900 B8R1.3 O=C1CCC(=O)NN1 Amb22365926 [0,0,0,1,0,0|2,0,0]=3 901 B8R1.3 O=C1CNC(=O)CC1 Amb22491034 [0,0,0,1,0,0|2,0,0]=3 902 B8R1.3 O=C1CNC(=O)OC1 Amb24481365 [0,0,0,1,0,0|2,0,0]=3 903 B8R1.3 O=C1NCC(=O)NC1 Amb1011605 [0,0,0,1,0,0|3,0,0]=4 904 B8R1.3 OC1CCC(=O)NC1 Amb10066907 [0,0,0,1,0,0|2,0,1]=4 905 B8R1.3 O[C@H]1CCC(=O)C=C1 Amb25707492 [0,0,0,1,0,0|2,0,1]=4 906 B8R1.20 C=C1CC1CC(N)=O Amb25138537 [0,0,0,1,0,0|3,0,0]=4 907 B8R1.20 C=C1C[C@@H]1CC(O)=O Amb25331268 [0,0,0,1,0,0|2,0,0]=3 908 B8R1.20 C=C1C[C@H]1CC(O)=O Amb24686141 [0,0,0,1,0,0|2,0,0]=3 909 B8R1.20 CC1CC1CC(O)=O Amb25316515 [0,0,0,1,0,0|2,0,1]=4 910 B8R1.20 CC1OC1CC(O)=O Amb24710388 [0,0,0,1,0,0|1,0,1]=3 911 B8R1.20 C[C@@H]1O[C@H]1CC(N)=O Amb24629162 [0,0,0,1,0,0|2,0,1]=4 912 B8R1.20 C[C@H]1C[C@H]1CC(O)=O Amb25174744 [0,0,0,1,0,0|2,0,1]=4 913 B8R1.20 C[C@H]1O[C@H]1CC(O)=O Amb25747306 [0,0,0,1,0,0|1,0,1]=3 914 B8R1.20 N[C@H]1C[C@H]1CC(O)=O Amb24585123 [0,0,0,1,0,0|2,0,1]=4 915 B8R1.23 C=C1CC(C1)C(N)=O Amb22896664 [0,0,0,1,0,0|3,0,0]=4 916 B8R1.23 CC(=C)C1CC(=O)C1 Amb25373403 [0,0,0,1,0,0|3,0,0]=4 917 B8R1.23 CC(=O)C1CC(O)C1 Amb25718423 [0,0,0,1,0,0|2,0,1]=4 918 B8R1.23 CC(=O)N1CC(=O)C1 Amb22896668 [0,0,0,1,0,0|3,0,0]=4 919 B8R1.23 CC(O)C1CC(=O)O1 Amb25317296 [0,0,0,1,0,0|1,0,1]=3 920 B8R1.23 CC1CC(C1)C(O)=O Amb19515989 [0,0,0,1,0,0|2,0,1]=4 921 B8R1.23 CC=1CC(C1)C(C)=O Amb24676939 [0,0,0,1,0,0|3,0,0]=4 922 B8R1.23 CN1CC(C1)C(O)=O Amb19958116 [0,0,0,1,0,0|3,0,0]=4 923 B8R1.23 C[C@@H]1C[C@@H](C1)C(O)=O Amb22746374 [0,0,0,1,0,0|2,0,1]=4 924 B8R1.23 C[C@@H]1C[C@H](C1)C(O)=O Amb22746375 [0,0,0,1,0,0|2,0,1]=4 925 B8R1.23 C[C@H](O)[C@@H]1CC(=O)O1 Amb24515159 [0,0,0,1,0,0|1,0,1]=3 926 B8R1.23 C[C@H]1C[C@H](N1)C(O)=O Amb24514390 [0,0,0,1,0,0|2,0,1]=4 927 B8R1.23 ClC(=O)C1CC(=C)C1 Amb10071441 [0,0,0,1,0,0|3,0,0]=4 928 B8R1.23 ClC1CC(C1)C(=O)O Amb16233600 [0,0,0,1,0,0|2,0,1]=4 929 B8R1.23 NC(=O)C1CC(=O)C1 Amb22896730 [0,0,0,1,0,0|2,0,0]=3 930 B8R1.23 NC(=O)C1CC(O)C1 Amb23570502 [0,0,0,1,0,0|2,0,1]=4 931 B8R1.23 NC1CC(C1)C(=O)O Amb10610660 [0,0,0,1,0,0|2,0,1]=4 932 B8R1.23 NC1CC(C1)C(O)=O Amb21963541 [0,0,0,1,0,0|2,0,1]=4 933 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O Amb10604131 [0,0,0,1,0,0|2,0,1]=4 934 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O Amb10604102 [0,0,0,1,0,0|2,0,1]=4 935 B8R1.23 N[C@@H]1C[C@H](C1)C(O)=O Amb19514893 [0,0,0,1,0,0|2,0,1]=4 936 B8R1.23 O=C1CC(C1)C(=O)Cl Amb16230813 [0,0,0,1,0,0|2,0,0]=3 937 B8R1.23 O=C1CC(C1)C(=O)O Amb1106387 [0,0,0,1,0,0|1,0,0]=2 938 B8R1.23 O=C1CC(N1)C(=O)O Amb16232079 [0,0,0,1,0,0|1,0,0]=2 939 B8R1.23 O=C1CC(N1)S(=O)Cl Amb25835668 [0,0,0,1,0,0|3,0,0]=4 940 B8R1.23 O=C1C[C@@H](O1)C(Cl)Cl Amb25108146 [0,0,0,1,0,0|2,0,1]=4 941 B8R1.23 OC(=O)C1CC(F)C1 Amb20621267 [0,0,0,1,0,0|2,0,1]=4 942 B8R1.23 OC(=O)[C@@H]1CC(=O)N1 Amb22367070 [0,0,0,1,0,0|1,0,0]=2 943 B8R1.23 OC(=O)[C@@H]1C[C@@H](Br)C1 Amb24339433 [0,0,0,1,0,0|2,0,1]=4 944 B8R1.23 OC(=O)[C@H]1CC(=O)O1 Amb25705638 [0,0,0,1,0,0|0,0,0]=1 945 B8R1.23 OC1CC(C1)C(=O)Cl Amb24661280 [0,0,0,1,0,0|2,0,1]=4 946 B8R1.23 O[C@@H]1C[C@H](C1)C(O)=O Amb19516178 [0,0,0,1,0,0|1,0,1]=3 947 B8R1.23 O[C@H]1C[C@H](C1)C(O)=O Amb19516179 [0,0,0,1,0,0|1,0,1]=3 948 B8R1.35 OC(=O)CC=C1CC1 Amb25119812 [0,0,0,1,0,0|2,0,1]=4 949 B8R1.51 CC1(O)CC(=O)CC1 Amb25129578 [0,0,0,1,0,0|2,0,1]=4 950 B8R1.51 CC1(O)CCC(=O)N1 Amb24483013 [0,0,0,1,0,0|2,0,1]=4 951 B8R1.51 CC1(O)CCC(=O)O1 Amb22338334 [0,0,0,1,0,0|1,0,1]=3 952 B8R1.51 CP1(=O)CC(=O)CC1 Amb25231314 [0,0,0,1,0,0|3,0,0]=4 953 B8R1.51 CP1(=O)CCC(=O)O1 Amb22228817 [0,0,0,1,0,0|2,0,0]=3 954 B8R1.51 O=C1CCC(O1)([2H])[2H] Amb17610398 [0,0,0,1,0,0|2,0,1]=4 955 B8R1.51 O=C1CCS(=O)(=O)C1 Amb2373731 [0,0,0,1,0,0|2,0,1]=4 956 B8R1.51 O=C1CCS(=O)(=O)N1 Amb25763419 [0,0,0,1,0,0|2,0,1]=4 957 B8R1.51 O=C1CCS(=O)(=O)O1 Amb17399828 [0,0,0,1,0,0|1,0,1]=3 958 B8R1.77 CC1(Cl)CC1C(O)=O Amb24629731 [0,0,0,1,0,0|2,0,1]=4 959 B8R1.77 OC(=O)C1CC1(Br)Br Amb24651946 [0,0,0,1,0,0|2,0,1]=4 960 B8R1.77 OC(=O)C1CC1(Cl)Cl Amb1106460 [0,0,0,1,0,0|2,0,1]=4 961 B8R1.77 OC(=O)C1CC1(F)Cl Amb10841879 [0,0,0,1,0,0|2,0,1]=4 962 B6R0.2 C=C(Br)CC(N)=O Amb25174913 [0,0,0,0,1,0|3,0,0]=4 963 B6R0.2 C=C(Br)CC(O)=O Amb24479176 [0,0,0,0,1,0|2,0,0]=3 964 B6R0.2 C=C(Cl)CC(N)=O Amb24376175 [0,0,0,0,1,0|3,0,0]=4 965 B6R0.2 CC(=C)CC(=O)C Amb17593075 [0,0,0,0,1,0|3,0,0]=4 966 B6R0.2 CC(=CC(=O)O)C Amb1485519 [0,0,0,0,1,0|2,0,1]=4 967 B6R0.2 CC(=N)CC(N)=O Amb25259783 [0,0,0,0,1,0|3,0,0]=4 968 B6R0.2 CC(=O)CC(=C)Br Amb25662372 [0,0,0,0,1,0|3,0,0]=4 969 B6R0.2 CC(=O)CC(=O)Br Amb24422459 [0,0,0,0,1,0|2,0,0]=3 970 B6R0.2 CC(=O)CC(C)=N Amb22345922 [0,0,0,0,1,0|3,0,0]=4 971 B6R0.2 CC(=O)CC(C)=O Amb22727963 [0,0,0,0,1,0|2,0,0]=3 972 B6R0.2 CC(=O)CC(N)=S Amb24102403 [0,0,0,0,1,0|2,1,0]=4 973 B6R0.2 CC(=O)CC(O)=O Amb22348460 [0,0,0,0,1,0|1,0,0]=2 974 B6R0.2 CC(=O)CC(O)=S Amb24689856 [0,0,0,0,1,0|1,1,0]=3 975 B6R0.2 CC(=O)CC(O)O Amb25273111 [0,0,0,0,1,0|1,0,2]=4 976 B6R0.2 CC(=O)CC([O-])=O Amb22265051 [0,0,0,0,1,0|1,0,1]=3 977 B6R0.2 CC(=O)CS(C)=O Amb25025354 [0,0,0,0,1,0|3,0,0]=4 978 B6R0.2 CC(=O)C[N+]([O-])=O Amb18833135 [0,0,0,0,1,0|2,0,1]=4 979 B6R0.2 CC(=S)CC(N)=O Amb24479846 [0,0,0,0,1,0|2,1,0]=4 980 B6R0.2 CC(Br)=CC(O)=O Amb25347173 [0,0,0,0,1,0|2,0,1]=4 981 B6R0.2 CC(C)C[13C](O)=O Amb22336513 [0,0,0,0,1,0|2,0,1]=4 982 B6R0.2 CC(CC(=O)C)O Amb17593091 [0,0,0,0,1,0|2,0,1]=4 983 B6R0.2 CC(F)=CC(O)=O Amb24676595 [0,0,0,0,1,0|2,0,1]=4 984 B6R0.2 CC(F)CC(O)=O Amb24561809 [0,0,0,0,1,0|2,0,1]=4 985 B6R0.2 CC(I)=CC(O)=O Amb24668934 [0,0,0,0,1,0|2,0,1]=4 986 B6R0.2 CC(N)=CC(O)=O Amb25856437 [0,0,0,0,1,0|2,0,1]=4 987 B6R0.2 CC(N)CC(O)=O Amb19888354 [0,0,0,0,1,0|2,0,1]=4 988 B6R0.2 CC(O)CC(O)=O Amb22348403 [0,0,0,0,1,0|1,0,1]=3 989 B6R0.2 CC(O)CP(O)=O Amb24406357 [0,0,0,0,1,0|2,0,1]=4 990 B6R0.2 CC(S)CC(O)=O Amb18281031 [0,0,0,0,1,0|1,1,1]=4 991 B6R0.2 CN(Br)CC(O)=O Amb25745878 [0,0,0,0,1,0|3,0,0]=4 992 B6R0.2 CN(Cl)CC(O)=O Amb24455857 [0,0,0,0,1,0|3,0,0]=4 993 B6R0.2 CN(N)CC(O)=O Amb23592296 [0,0,0,0,1,0|3,0,0]=4 994 B6R0.2 CN(O)CC(O)=O Amb24732008 [0,0,0,0,1,0|2,0,0]=3 995 B6R0.2 CS(=O)CC(N)=O Amb24394100 [0,0,0,0,1,0|3,0,0]=4 996 B6R0.2 CS(=O)CC(O)=O Amb18957960 [0,0,0,0,1,0|2,0,0]=3 997 B6R0.2 C[13CH](O)C[13C]([O-])=O Amb22338641 [0,0,0,0,1,0|1,0,2]=4 998 B6R0.2 C[13C](=O)O[13C](C)=O Amb22353530 [0,0,0,0,1,0|3,0,0]=4 999 B6R0.2 C[C@@H](CC(=O)O)N Amb16184012 [0,0,0,0,1,0|2,0,1]=4 1000 B6R0.2 C[C@@H](O)CC(N)=O Amb25746564 [0,0,0,0,1,0|2,0,1]=4 1001 B6R0.2 C[C@@H](S)CC(O)=O Amb24480921 [0,0,0,0,1,0|1,1,1]=4 1002 B6R0.2 C[C@H](Br)CC(O)=O Amb24432019 [0,0,0,0,1,0|2,0,1]=4 1003 B6R0.2 C[C@H](CC(=O)O)N Amb16184009 [0,0,0,0,1,0|2,0,1]=4 1004 B6R0.2 C[C@H](Cl)CC(O)=O Amb25259323 [0,0,0,0,1,0|2,0,1]=4 1005 B6R0.2 C[C@H](F)CC(O)=O Amb24586490 [0,0,0,0,1,0|2,0,1]=4 1006 B6R0.2 C[C@H](O)CC(C)=O Amb24334071 [0,0,0,0,1,0|2,0,1]=4 1007 B6R0.2 C[C@H](O)CC(O)=O Amb22232025 [0,0,0,0,1,0|1,0,1]=3 1008 B6R0.2 C[C@H](S)CC(O)=O Amb25190038 [0,0,0,0,1,0|1,1,1]=4 1009 B6R0.2 C[NH+](C)CC(O)=O Amb24113881 [0,0,0,0,1,0|3,0,0]=4 1010 B6R0.2 C\C(\Br)=C\C(O)=O Amb25662428 [0,0,0,0,1,0|2,0,1]=4 1011 B6R0.2 C\C(\Cl)=C/C(O)=O Amb18123483 [0,0,0,0,1,0|2,0,1]=4 1012 B6R0.2 C\C(\Cl)=C\C(O)=O Amb23556468 [0,0,0,0,1,0|2,0,1]=4 1013 B6R0.2 C\C(\I)=C\C(O)=O Amb24741877 [0,0,0,0,1,0|2,0,1]=4 1014 B6R0.2 C\C(\O)=C\C(C)=O Amb22034390 [0,0,0,0,1,0|2,0,1]=4 1015 B6R0.2 N=C(Cl)CC(O)=O Amb25796071 [0,0,0,0,1,0|2,0,0]=3 1016 B6R0.2 NC(=N)CC(=O)N Amb1981332 [0,0,0,0,1,0|3,0,0]=4 1017 B6R0.2 NC(=O)CC(=N)[NH3+] Amb2439350 [0,0,0,0,1,0|3,0,0]=4 1018 B6R0.2 NC(=O)CC(=O)N Amb1971463 [0,0,0,0,1,0|2,0,0]=3 1019 B6R0.2 NC(=O)CC(=S)N Amb1155422 [0,0,0,0,1,0|2,1,0]=4 1020 B6R0.2 NC(=O)CC(O)O Amb25810087 [0,0,0,0,1,0|1,0,2]=4 1021 B6R0.2 NC(=O)CC([O-])=O Amb22263088 [0,0,0,0,1,0|1,0,1]=3 1022 B6R0.2 NC(=O)[CH-]C(N)=O Amb24591184 [0,0,0,0,1,0|2,0,1]=4 1023 B6R0.2 NC(F)CC(O)=O Amb24479804 [0,0,0,0,1,0|2,0,1]=4 1024 B6R0.2 N[13C](=O)N[13C](N)=O Amb22367408 [0,0,0,0,1,0|3,0,0]=4 1025 B6R0.2 N[13C](=O)[13CH2][13C](=O)N Amb17616663 [0,0,0,0,1,0|2,0,0]=3 1026 B6R0.2 N[C@@H](CC(=O)O)O Amb16232006 [0,0,0,0,1,0|1,0,1]=3 1027 B6R0.2 N[C@@H](F)CC(O)=O Amb25854307 [0,0,0,0,1,0|2,0,1]=4 1028 B6R0.2 OB(O)CC(O)=O Amb24053058 [0,0,0,0,1,0|1,0,1]=3 1029 B6R0.2 OC(=O)C=C(Br)Br Amb24435008 [0,0,0,0,1,0|2,0,1]=4 1030 B6R0.2 OC(=O)C=C(F)F Amb24116995 [0,0,0,0,1,0|2,0,1]=4 1031 B6R0.2 OC(=O)CC(=S)N Amb17465742 [0,0,0,0,1,0|1,1,0]=3 1032 B6R0.2 OC(=O)CC(F)Br Amb25336987 [0,0,0,0,1,0|2,0,1]=4 1033 B6R0.2 OC(=O)CC(F)F Amb22001551 [0,0,0,0,1,0|2,0,1]=4 1034 B6R0.2 OC(=O)CC(O)=O Amb21935659 [0,0,0,0,1,0|0,0,0]=1 1035 B6R0.2 OC(=O)CC(O)=O Amb22230690 [0,0,0,0,1,0|0,0,0]=1 1036 B6R0.2 OC(=O)CC(O)=O Amb22230927 [0,0,0,0,1,0|0,0,0]=1 1037 B6R0.2 OC(=O)CN(Cl)Cl Amb25133084 [0,0,0,0,1,0|3,0,0]=4 1038 B6R0.2 OC(=O)[13CH2]C(O)=O Amb22337806 [0,0,0,0,1,0|0,0,0]=1 1039 B6R0.2 O[13C](=O)C[13C](O)=O Amb22353218 [0,0,0,0,1,0|0,0,0]=1 1040 B6R0.2 O[13C](=O)[13CH2][13C](O)=O Amb22363192 [0,0,0,0,1,0|0,0,0]=1 1041 B6R0.2 O[14C](=O)O[14C](O)=O Amb22362831 [0,0,0,0,1,0|1,0,0]=2 1042 B6R0.2 [13CH3]C(=O)OC([13CH3])=O Amb22336728 [0,0,0,0,1,0|3,0,0]=4 1043 B6R0.2 [13CH3]C(O)[13CH2]C([O-])=O Amb22351144 [0,0,0,0,1,0|1,0,2]=4 1044 B6R0.2 [13CH3][13C](=O)O[13C]([13CH3])=O Amb22338759 [0,0,0,0,1,0|3,0,0]=4 1045 B6R0.2 [15NH2]C(=O)[15NH]C([15NH2])=O Amb22367466 [0,0,0,0,1,0|3,0,0]=4 1046 B6R0.2 [BH3-][S+](C)CC(O)=O Amb24480870 [0,0,0,0,1,0|3,0,0]=4 1047 B6R0.2 [O-]C(=O)CC(=O)[O-] Amb10070428 [0,0,0,0,1,0|0,0,2]=3 1048 B6R0.2 [O-]C(=O)CC([O-])=O Amb22730396 [0,0,0,0,1,0|0,0,2]=3 1049 B6R0.2 [O-]C(=O)C[C@@H](O)C Amb10844672 [0,0,0,0,1,0|1,0,2]=4 1050 B6R0.2 [O-][N+](=O)CC(=O)N Amb10069145 [0,0,0,0,1,0|2,0,1]=4 1051 B6R0.2 [O-][N+](=O)CC(=O)N Amb1101925 [0,0,0,0,1,0|2,0,1]=4 1052 B8R0.28 C=C(Br)CNCC(N)=O Amb18303969 [0,0,0,0,0,1|3,0,0]=4 1053 B8R0.28 C=C(Br)CNCC(O)=O Amb18303844 [0,0,0,0,0,1|2,0,0]=3 1054 B8R0.28 C=C(Br)CSCC(O)=O Amb25369923 [0,0,0,0,0,1|2,0,0]=3 1055 B8R0.28 C=C(Cl)CNCC(N)=O Amb18303604 [0,0,0,0,0,1|3,0,0]=4 1056 B8R0.28 C=C(Cl)COCC(N)=O Amb24744113 [0,0,0,0,0,1|3,0,0]=4 1057 B8R0.28 C=C(F)CCCC(O)=O Amb22641515 [0,0,0,0,0,1|2,0,0]=3 1058 B8R0.28 CC(=C)CCCC(C)=O Amb17739959 [0,0,0,0,0,1|3,0,0]=4 1059 B8R0.28 CC(=C)CCOC(N)=O Amb24760559 [0,0,0,0,0,1|3,0,0]=4 1060 B8R0.28 CC(=C)\C=C\CC(O)=O Amb18642409 [0,0,0,0,0,1|2,0,1]=4 1061 B8R0.28 CC(=N)NCCC(O)=O Amb25836109 [0,0,0,0,0,1|2,0,0]=3 1062 B8R0.28 CC(=O)CCC=C(F)F Amb24478042 [0,0,0,0,0,1|3,0,0]=4 1063 B8R0.28 CC(=O)CCCB(O)O Amb24068595 [0,0,0,0,0,1|2,0,1]=4 1064 B8R0.28 CC(=O)CCCC(=C)O Amb24422924 [0,0,0,0,0,1|2,0,0]=3 1065 B8R0.28 CC(=O)CCCC(=O)Cl Amb24752758 [0,0,0,0,0,1|2,0,0]=3 1066 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,0,0,0,0,1|1,0,0]=2 1067 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [0,0,0,0,0,1|2,0,0]=3 1068 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [0,0,0,0,0,1|2,0,0]=3 1069 B8R0.28 CC(=O)CCC[N+]([O-])=O Amb18203187 [0,0,0,0,0,1|2,0,1]=4 1070 B8R0.28 CC(=O)CCNC(=O)C Amb17102868 [0,0,0,0,0,1|2,0,0]=3 1071 B8R0.28 CC(=O)CC\C=C(/Cl)\C Amb17593664 [0,0,0,0,0,1|3,0,0]=4 1072 B8R0.28 CC(=O)CNCC(C)=O Amb22168687 [0,0,0,0,0,1|2,0,0]=3 1073 B8R0.28 CC(=O)CNCC(O)=O Amb24375747 [0,0,0,0,0,1|1,0,0]=2 1074 B8R0.28 CC(=O)COCC(N)=O Amb24070191 [0,0,0,0,0,1|2,0,0]=3 1075 B8R0.28 CC(=O)CSCC(=C)Br Amb24421359 [0,0,0,0,0,1|3,0,0]=4 1076 B8R0.28 CC(=O)CSCC(C)=O Amb25244895 [0,0,0,0,0,1|2,0,0]=3 1077 B8R0.28 CC(=O)CSCC([O-])=O Amb20622616 [0,0,0,0,0,1|1,0,1]=3 1078 B8R0.28 CC(=O)C\C=C\C(=O)O Amb16232091 [0,0,0,0,0,1|1,0,1]=3 1079 B8R0.28 CC(=O)NCCC(=S)N Amb17232012 [0,0,0,0,0,1|2,1,0]=4 1080 B8R0.28 CC(=O)OCCC(O)=O Amb18642866 [0,0,0,0,0,1|1,0,0]=2 1081 B8R0.28 CC(=O)OCCS(C)=O Amb24481662 [0,0,0,0,0,1|3,0,0]=4 1082 B8R0.28 CC(=O)SCCB(O)O Amb25854421 [0,0,0,0,0,1|2,0,1]=4 1083 B8R0.28 CC(=O)SCCC(N)=O Amb24552735 [0,0,0,0,0,1|2,0,0]=3 1084 B8R0.28 CC(=O)SCNC(C)=O Amb24662115 [0,0,0,0,0,1|3,0,0]=4 1085 B8R0.28 CC(=O)\C=C/CC(C)=O Amb25072729 [0,0,0,0,0,1|2,0,1]=4 1086 B8R0.28 CC(=O)\C=C\CC(C)=O Amb25238337 [0,0,0,0,0,1|2,0,1]=4 1087 B8R0.28 CC(=O)\C=N/CC(O)=O Amb25347610 [0,0,0,0,0,1|1,0,1]=3 1088 B8R0.28 CC(=S)NCCC(C)=O Amb24682550 [0,0,0,0,0,1|2,1,0]=4 1089 B8R0.28 CC(=S)SCCC(O)=O Amb24480281 [0,0,0,0,0,1|1,1,0]=3 1090 B8R0.28 CC(Br)=CCCC(O)=O Amb25200944 [0,0,0,0,0,1|2,0,0]=3 1091 B8R0.28 CC(Br)CCCC(O)=O Amb24480052 [0,0,0,0,0,1|2,0,1]=4 1092 B8R0.28 CC(C)=CCCC(N)=O Amb24655596 [0,0,0,0,0,1|3,0,0]=4 1093 B8R0.28 CC(C)CNCC(O)=O Amb19373106 [0,0,0,0,0,1|2,0,1]=4 1094 B8R0.28 CC(CCCC(=O)O)O Amb2371277 [0,0,0,0,0,1|1,0,1]=3 1095 B8R0.28 CC(CCCC(=O)[O-])O Amb17615415 [0,0,0,0,0,1|1,0,2]=4 1096 B8R0.28 CC(CSCC(=O)O)C Amb1134811 [0,0,0,0,0,1|2,0,1]=4 1097 B8R0.28 CC(Cl)=CCCC(C)=O Amb25274421 [0,0,0,0,0,1|3,0,0]=4 1098 B8R0.28 CC(Cl)CCCC(O)=O Amb24740888 [0,0,0,0,0,1|2,0,1]=4 1099 B8R0.28 CC(Cl)COCC(O)=O Amb24480258 [0,0,0,0,0,1|2,0,1]=4 1100 B8R0.28 CC(N)CCCC(O)=O Amb22059416 [0,0,0,0,0,1|2,0,1]=4 1101 B8R0.28 CC(N)COCC(O)=O Amb25368702 [0,0,0,0,0,1|2,0,1]=4 1102 B8R0.28 CC(NCCC(=O)O)C Amb1106349 [0,0,0,0,0,1|2,0,1]=4 1103 B8R0.28 CC(O)CCCC(C)=O Amb24340114 [0,0,0,0,0,1|2,0,1]=4 1104 B8R0.28 CC(O)CCCC(N)=O Amb24622764 [0,0,0,0,0,1|2,0,1]=4 1105 B8R0.28 CC(O)CCOC(N)=O Amb25293990 [0,0,0,0,0,1|2,0,1]=4 1106 B8R0.28 CC(O)CCSC(C)=O Amb25846896 [0,0,0,0,0,1|2,0,1]=4 1107 B8R0.28 CC(O)CNCC(C)=O Amb24589662 [0,0,0,0,0,1|2,0,1]=4 1108 B8R0.28 CC(O)CSCC(N)=O Amb25690591 [0,0,0,0,0,1|2,0,1]=4 1109 B8R0.28 CC(O)CSCC(O)=O Amb19005278 [0,0,0,0,0,1|1,0,1]=3 1110 B8R0.28 CC(O)C\C=C\C(O)=O Amb18642771 [0,0,0,0,0,1|1,0,2]=4 1111 B8R0.28 CC(O)NCCC(N)=O Amb24446895 [0,0,0,0,0,1|2,0,1]=4 1112 B8R0.28 CN(C)NCCC(O)=O Amb24113891 [0,0,0,0,0,1|3,0,0]=4 1113 B8R0.28 CS(=O)CCCC(O)=O Amb18306076 [0,0,0,0,0,1|2,0,0]=3 1114 B8R0.28 CS(=O)C\C=C\C(O)=O Amb24586059 [0,0,0,0,0,1|2,0,1]=4 1115 B8R0.28 CS(=O)NOCC(O)=O Amb24588744 [0,0,0,0,0,1|3,0,0]=4 1116 B8R0.28 C[C@@H](N)CCCC(O)=O Amb24435680 [0,0,0,0,0,1|2,0,1]=4 1117 B8R0.28 C[C@@H](N)COCC(O)=O Amb24641471 [0,0,0,0,0,1|2,0,1]=4 1118 B8R0.28 C[C@@H](O)CCOC(C)=O Amb25357488 [0,0,0,0,0,1|2,0,1]=4 1119 B8R0.28 C[C@@H](O)CNCC(N)=O Amb25260382 [0,0,0,0,0,1|2,0,1]=4 1120 B8R0.28 C[C@@H](O)CSCC(N)=O Amb25799456 [0,0,0,0,0,1|2,0,1]=4 1121 B8R0.28 C[C@@H](O)C\C=C\C(O)=O Amb25250610 [0,0,0,0,0,1|1,0,2]=4 1122 B8R0.28 C[C@H](N)COCC(O)=O Amb25305053 [0,0,0,0,0,1|2,0,1]=4 1123 B8R0.28 C[C@H](O)CC#CC(O)=O Amb24627681 [0,0,0,0,0,1|1,0,2]=4 1124 B8R0.28 C[C@H](O)CCCC(O)=O Amb25842809 [0,0,0,0,0,1|1,0,1]=3 1125 B8R0.28 C[C@H](O)CCNC(N)=O Amb25272281 [0,0,0,0,0,1|2,0,1]=4 1126 B8R0.28 C[C@H](O)CSCC(N)=O Amb25202527 [0,0,0,0,0,1|2,0,1]=4 1127 B8R0.28 NC(=N)CCCC(O)=O Amb25757878 [0,0,0,0,0,1|2,0,0]=3 1128 B8R0.28 NC(=N)CNCC(O)=O Amb25062019 [0,0,0,0,0,1|2,0,0]=3 1129 B8R0.28 NC(=N)NCCS(O)=O Amb25103204 [0,0,0,0,0,1|3,0,0]=4 1130 B8R0.28 NC(=O)CCCC(N)=N Amb25173064 [0,0,0,0,0,1|3,0,0]=4 1131 B8R0.28 NC(=O)CCCC(N)=O Amb24098550 [0,0,0,0,0,1|2,0,0]=3 1132 B8R0.28 NC(=O)CCC[N+]([O-])=O Amb22432425 [0,0,0,0,0,1|2,0,1]=4 1133 B8R0.28 NC(=O)CCOP(O)=O Amb24668254 [0,0,0,0,0,1|2,0,0]=3 1134 B8R0.28 NC(=O)CSCC(=O)Cl Amb25288065 [0,0,0,0,0,1|2,0,0]=3 1135 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,0,0,0,0,1|1,0,0]=2 1136 B8R0.28 NC(=O)CSCC(N)=N Amb23313355 [0,0,0,0,0,1|3,0,0]=4 1137 B8R0.28 NC(=O)NCCB(O)O Amb25246659 [0,0,0,0,0,1|2,0,1]=4 1138 B8R0.28 NC(=O)NCCC(N)=N Amb25102435 [0,0,0,0,0,1|3,0,0]=4 1139 B8R0.28 NC(=O)NCNC(N)=O Amb24105508 [0,0,0,0,0,1|3,0,0]=4 1140 B8R0.28 NC(=O)NN=CC(O)=O Amb24616453 [0,0,0,0,0,1|2,0,1]=4 1141 B8R0.28 NC(=O)N\N=C\C(=O)O Amb10552378 [0,0,0,0,0,1|2,0,1]=4 1142 B8R0.28 NC(=O)\C=C\CC(N)=O Amb24721870 [0,0,0,0,0,1|2,0,1]=4 1143 B8R0.28 NC(=S)CCOC(N)=O Amb25104739 [0,0,0,0,0,1|2,1,0]=4 1144 B8R0.28 NC(=S)SCCC(N)=O Amb24691673 [0,0,0,0,0,1|2,1,0]=4 1145 B8R0.28 NC(N)=NCCC(=O)Cl Amb24524091 [0,0,0,0,0,1|3,0,0]=4 1146 B8R0.28 O=C(Cl)CNCC(=O)Cl Amb25360798 [0,0,0,0,0,1|2,0,0]=3 1147 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [0,0,0,0,0,1|2,0,0]=3 1148 B8R0.28 OC(=O)C#CCC(O)=O Amb25850643 [0,0,0,0,0,1|0,0,1]=2 1149 B8R0.28 OC(=O)C=C=CC(=O)O Amb17593335 [0,0,0,0,0,1|0,0,2]=3 1150 B8R0.28 OC(=O)CCC=C(C)C Amb10601609 [0,0,0,0,0,1|2,0,0]=3 1151 B8R0.28 OC(=O)CCC=C(F)F Amb25224993 [0,0,0,0,0,1|2,0,0]=3 1152 B8R0.28 OC(=O)CCCC(=O)Br Amb24480005 [0,0,0,0,0,1|1,0,0]=2 1153 B8R0.28 OC(=O)CCCC(Cl)Cl Amb24479944 [0,0,0,0,0,1|2,0,1]=4 1154 B8R0.28 OC(=O)CCCC(F)F Amb24117996 [0,0,0,0,0,1|2,0,1]=4 1155 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [0,0,0,0,0,1|0,0,0]=1 1156 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [0,0,0,0,0,1|0,0,0]=1 1157 B8R0.28 OC(=O)CCCP(O)=O Amb24480161 [0,0,0,0,0,1|1,0,0]=2 1158 B8R0.28 OC(=O)CCNC(=O)C Amb1104704 [0,0,0,0,0,1|1,0,0]=2 1159 B8R0.28 OC(=O)CCNC(S)=S Amb25765722 [0,0,0,0,0,1|0,2,0]=3 1160 B8R0.28 OC(=O)CCOC(F)F Amb25342869 [0,0,0,0,0,1|2,0,1]=4 1161 B8R0.28 OC(=O)CCSC(=N)N Amb1043190 [0,0,0,0,0,1|2,0,0]=3 1162 B8R0.28 OC(=O)CCSC(=O)C Amb17607685 [0,0,0,0,0,1|1,0,0]=2 1163 B8R0.28 OC(=O)CNC=P(O)=O Amb24558051 [0,0,0,0,0,1|1,0,1]=3 1164 B8R0.28 OC(=O)CNCC(F)F Amb24433048 [0,0,0,0,0,1|2,0,1]=4 1165 B8R0.28 OC(=O)CNCP(O)=O Amb24557425 [0,0,0,0,0,1|1,0,0]=2 1166 B8R0.28 OC(=O)COCC(=O)Cl Amb25372456 [0,0,0,0,0,1|1,0,0]=2 1167 B8R0.28 OC(=O)CSC=C(Cl)Cl Amb24479937 [0,0,0,0,0,1|2,0,1]=4 1168 B8R0.28 OC(=O)CSCC(F)F Amb18791606 [0,0,0,0,0,1|2,0,1]=4 1169 B8R0.28 OC(=O)C\C=C\C(=O)O Amb1154189 [0,0,0,0,0,1|0,0,1]=2 1170 B8R0.28 OC(=O)O[Sr]OC(O)=O Amb22353408 [0,0,0,0,0,1|2,0,0]=3 1171 B8R0.28 OC(=O)\C=C\OP(O)=O Amb24560361 [0,0,0,0,0,1|1,0,2]=4 1172 B8R0.28 OC(=S)COCC(O)=O Amb22262972 [0,0,0,0,0,1|0,1,0]=2 1173 B8R0.28 OC(O)CCCC(O)=O Amb25205498 [0,0,0,0,0,1|0,0,2]=3 1174 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [0,0,0,0,0,1|0,0,0]=1 1175 B8R0.28 [O-]C(=O)CCCC([O-])=O Amb22729768 [0,0,0,0,0,1|0,0,2]=3 1176 B8R0.28 [O-]C(=O)CNCC([O-])=O Amb20246814 [0,0,0,0,0,1|0,0,2]=3 1177 B8R0.28 [O-]C(=O)CNCC([O-])=O Amb22351624 [0,0,0,0,0,1|0,0,2]=3 1178 B8R0.28 [O-][N+](=O)CCCC(O)=O Amb24711043 [0,0,0,0,0,1|1,0,1]=3 1179 B8R0.28 [O-][N+](=O)OCCC(O)=O Amb21953424 [0,0,0,0,0,1|1,0,1]=3 1180 B5R0.1 C=C(F)CCO Amb25747437 [2,0,0,0,0,0|2,0,0]=4 1181 B5R0.1 C=C=CC(O)=O Amb24391957 [2,0,0,0,0,0|0,0,2]=4 1182 B5R0.1 CC(=O)CC=O Amb17666764 [2,0,0,0,0,0|1,0,0]=3 1183 B5R0.1 CC(=O)CCBr Amb24078246 [2,0,0,0,0,0|2,0,0]=4 1184 B5R0.1 CC(=O)CCN Amb10067110 [2,0,0,0,0,0|2,0,0]=4 1185 B5R0.1 CC(=O)CCN Amb18632933 [2,0,0,0,0,0|2,0,0]=4 1186 B5R0.1 CC(=O)CN=O Amb24645582 [2,0,0,0,0,0|2,0,0]=4 1187 B5R0.1 CC(=O)OC=O Amb25283525 [2,0,0,0,0,0|2,0,0]=4 1188 B5R0.1 CC(O)CCO Amb22227721 [2,0,0,0,0,0|1,0,1]=4 1189 B5R0.1 CC(O)CCO Amb22232248 [2,0,0,0,0,0|1,0,1]=4 1190 B5R0.1 CCCC(=O)Br Amb22734023 [2,0,0,0,0,0|1,0,1]=4 1191 B5R0.1 CCCC(O)=S Amb22229383 [2,0,0,0,0,0|0,1,1]=4 1192 B5R0.1 CCCC([O-])=O Amb17772223 [2,0,0,0,0,0|0,0,2]=4 1193 B5R0.1 CCCC([O-])=O Amb22732283 [2,0,0,0,0,0|0,0,2]=4 1194 B5R0.1 CCCC([O-])=O Amb22732651 [2,0,0,0,0,0|0,0,2]=4 1195 B5R0.1 CCCS(O)=O Amb24615072 [2,0,0,0,0,0|1,0,1]=4 1196 B5R0.1 CCC[13C](O)=O Amb22337992 [2,0,0,0,0,0|0,0,1]=3 1197 B5R0.1 CCC[13C](O)=O Amb22338339 [2,0,0,0,0,0|0,0,1]=3 1198 B5R0.1 CC[13CH2]C(O)=O Amb22367520 [2,0,0,0,0,0|0,0,1]=3 1199 B5R0.1 CC[13CH2]C([O-])=O Amb22351787 [2,0,0,0,0,0|0,0,2]=4 1200 B5R0.1 CC[13CH2][13C](O)=O Amb22351790 [2,0,0,0,0,0|0,0,1]=3 1201 B5R0.1 CN(O)CCO Amb25234570 [2,0,0,0,0,0|2,0,0]=4 1202 B5R0.1 CS(=O)CC=O Amb25173706 [2,0,0,0,0,0|2,0,0]=4 1203 B5R0.1 CSCC(=O)O Amb1152425 [2,0,0,0,0,0|1,0,1]=4 1204 B5R0.1 C[13CH2]CC([O-])=O Amb22367521 [2,0,0,0,0,0|0,0,2]=4 1205 B5R0.1 C[C@@H](O)CC=O Amb24356009 [2,0,0,0,0,0|1,0,1]=4 1206 B5R0.1 N#CCC(O)=O Amb20247050 [2,0,0,0,0,0|1,0,1]=4 1207 B5R0.1 NC(=O)CC=C Amb17610156 [2,0,0,0,0,0|1,0,1]=4 1208 B5R0.1 NC(=O)CC=O Amb25777522 [2,0,0,0,0,0|1,0,0]=3 1209 B5R0.1 NC(=O)CCBr Amb21618712 [2,0,0,0,0,0|2,0,0]=4 1210 B5R0.1 NC(=O)CCCl Amb1127569 [2,0,0,0,0,0|2,0,0]=4 1211 B5R0.1 NC(=O)CNO Amb25199017 [2,0,0,0,0,0|2,0,0]=4 1212 B5R0.1 NC(=O)NCO Amb17674341 [2,0,0,0,0,0|2,0,0]=4 1213 B5R0.1 NC(=O)OCO Amb25662384 [2,0,0,0,0,0|2,0,0]=4 1214 B5R0.1 NCCC(=O)Cl Amb24117140 [2,0,0,0,0,0|2,0,0]=4 1215 B5R0.1 NCCC(=O)N Amb1137251 [2,0,0,0,0,0|2,0,0]=4 1216 B5R0.1 NCCC(=O)O Amb1935127 [2,0,0,0,0,0|1,0,0]=3 1217 B5R0.1 NCCP(O)=O Amb22168066 [2,0,0,0,0,0|2,0,0]=4 1218 B5R0.1 NOCC(=O)O Amb1154237 [2,0,0,0,0,0|2,0,0]=4 1219 B5R0.1 N[C@H](O)CCO Amb24421109 [2,0,0,0,0,0|1,0,1]=4 1220 B5R0.1 O=C(Br)CCBr Amb24624022 [2,0,0,0,0,0|2,0,0]=4 1221 B5R0.1 O=C(Br)CCCl Amb24474527 [2,0,0,0,0,0|2,0,0]=4 1222 B5R0.1 O=C(I)CCCl Amb25146462 [2,0,0,0,0,0|2,0,0]=4 1223 B5R0.1 OC(=O)C=C=O Amb24671304 [2,0,0,0,0,0|0,0,2]=4 1224 B5R0.1 OC(=O)CC=O Amb22169407 [2,0,0,0,0,0|0,0,0]=2 1225 B5R0.1 OC(=O)CCF Amb10603694 [2,0,0,0,0,0|1,0,0]=3 1226 B5R0.1 OC(=O)CI=O Amb25146428 [2,0,0,0,0,0|1,0,0]=3 1227 B5R0.1 OC(=O)CNBr Amb25053433 [2,0,0,0,0,0|2,0,0]=4 1228 B5R0.1 OC(=O)CNCl Amb24653229 [2,0,0,0,0,0|2,0,0]=4 1229 B5R0.1 OC(=O)CNI Amb25216175 [2,0,0,0,0,0|2,0,0]=4 1230 B5R0.1 OC(=O)CSCl Amb24597301 [2,0,0,0,0,0|2,0,0]=4 1231 B5R0.1 OC(=O)C[Hg]Cl Amb22347659 [2,0,0,0,0,0|2,0,0]=4 1232 B5R0.1 OC(=O)\C=C/Br Amb18644453 [2,0,0,0,0,0|1,0,1]=4 1233 B5R0.1 OC(=O)\C=C\F Amb24417763 [2,0,0,0,0,0|1,0,1]=4 1234 B5R0.1 OC(=O)\C=C\I Amb20242758 [2,0,0,0,0,0|1,0,1]=4 1235 B5R0.1 OCCS(=O)=O Amb24474283 [2,0,0,0,0,0|1,0,1]=4 1236 B5R0.1 OCOP(O)=O Amb24333194 [2,0,0,0,0,0|2,0,0]=4 1237 B5R0.1 OCOS(O)=O Amb25106091 [2,0,0,0,0,0|2,0,0]=4 1238 B5R0.1 ON=CC(O)=O Amb25046587 [2,0,0,0,0,0|1,0,1]=4 1239 B5R0.1 ONCC(O)=O Amb24120360 [2,0,0,0,0,0|1,0,0]=3 1240 B5R0.1 OP(=O)CC=O Amb25706451 [2,0,0,0,0,0|1,0,0]=3 1241 B5R0.1 OP(=O)CCBr Amb24634095 [2,0,0,0,0,0|2,0,0]=4 1242 B5R0.1 OP(=O)CCCl Amb24465178 [2,0,0,0,0,0|2,0,0]=4 1243 B5R0.1 O\N=C/C(=O)O Amb10601571 [2,0,0,0,0,0|1,0,1]=4 1244 B5R0.1 O\N=C\C(O)=O Amb20671938 [2,0,0,0,0,0|1,0,1]=4 1245 B5R0.1 [13CH3]CCC([O-])=O Amb22351845 [2,0,0,0,0,0|0,0,2]=4 1246 B5R0.1 [13CH3]C[13CH2]C([O-])=O Amb22351704 [2,0,0,0,0,0|0,0,2]=4 1247 B5R0.1 [13CH3][13CH2][13CH2][13C]([O-])=O Amb22353296 [2,0,0,0,0,0|0,0,2]=4 1248 B5R0.1 [15NH2]C[13CH2][13C](O)=O Amb22353834 [2,0,0,0,0,0|1,0,0]=3 1249 B5R0.1 [15NH2][13CH2][13CH2][13C](O)=O Amb22353457 [2,0,0,0,0,0|1,0,0]=3 1250 B5R0.1 [O-]C(=O)CCBr Amb22229633 [2,0,0,0,0,0|1,0,1]=4 1251 B5R0.1 [O-]C(=O)CCCl Amb10604124 [2,0,0,0,0,0|1,0,1]=4 1252 B5R0.1 [O-]C(=O)CCCl Amb22051669 [2,0,0,0,0,0|1,0,1]=4 1253 B5R0.1 [O-]C(=O)CCO Amb22055495 [2,0,0,0,0,0|0,0,1]=3 1254 B5R0.2 C=CCOC=O Amb22051694 [2,0,0,0,0,0|2,0,0]=4 1255 B5R0.2 COCCC=O Amb10602324 [2,0,0,0,0,0|2,0,0]=4 1256 B5R0.2 C\C=C/CC=O Amb24728871 [2,0,0,0,0,0|1,0,1]=4 1257 B5R0.2 N\C=C\CC=O Amb24706738 [2,0,0,0,0,0|1,0,1]=4 1258 B5R0.2 O=CC#CC=O Amb25714016 [2,0,0,0,0,0|0,0,2]=4 1259 B5R0.2 O=CCCC=O Amb22231966 [2,0,0,0,0,0|0,0,0]=2 1260 B5R0.2 O=CCCCBr Amb18644189 [2,0,0,0,0,0|1,0,1]=4 1261 B5R0.2 O=CCCCF Amb24056028 [2,0,0,0,0,0|1,0,1]=4 1262 B5R0.2 O=CCCSCl Amb25146622 [2,0,0,0,0,0|2,0,0]=4 1263 B5R0.2 O=CCCSS Amb22524519 [2,0,0,0,0,0|1,1,0]=4 1264 B5R0.2 O=CC\C=C\Cl Amb24571938 [2,0,0,0,0,0|1,0,1]=4 1265 B5R0.2 O=C\C=C\C=O Amb17593019 [2,0,0,0,0,0|0,0,2]=4 1266 B5R0.2 OC=C\C=C\O Amb25024941 [2,0,0,0,0,0|0,0,2]=4 1267 B5R0.2 OCCCC=O Amb24589235 [2,0,0,0,0,0|0,0,1]=3 1268 B5R0.2 OCCCNO Amb24719785 [2,0,0,0,0,0|1,0,1]=4 1269 B5R0.2 ON=CCC=O Amb25744688 [2,0,0,0,0,0|1,0,1]=4 1270 B5R0.2 O\C=C\CCO Amb24333503 [2,0,0,0,0,0|0,0,2]=4 1271 B5R0.2 O\N=C\CC=O Amb24640219 [2,0,0,0,0,0|1,0,1]=4 1272 B5R0.2 [C-]#[N+]CCC=O Amb24706723 [2,0,0,0,0,0|2,0,0]=4 1273 B7R0.2 C#CC(N)CC(O)=O Amb24529562 [1,1,0,0,0,0|1,0,1]=4 1274 B7R0.2 C#CC(O)CC(O)=O Amb25737576 [1,1,0,0,0,0|1,0,1]=4 1275 B7R0.2 C=C(CC(O)=O)C=C Amb24561923 [1,1,0,0,0,0|1,0,1]=4 1276 B7R0.2 C=CC(Br)CC(O)=O Amb18125534 [1,1,0,0,0,0|1,0,0]=3 1277 B7R0.2 C=CC(Cl)CC(O)=O Amb18124408 [1,1,0,0,0,0|1,0,0]=3 1278 B7R0.2 C=CC(F)CC(O)=O Amb25359137 [1,1,0,0,0,0|1,0,0]=3 1279 B7R0.2 C=CC(N)CC(O)=O Amb22641963 [1,1,0,0,0,0|1,0,0]=3 1280 B7R0.2 C=CC(O)CC(N)=O Amb25799663 [1,1,0,0,0,0|2,0,0]=4 1281 B7R0.2 C=CC(O)CC(O)=O Amb18641866 [1,1,0,0,0,0|1,0,0]=3 1282 B7R0.2 C=CN(Br)CC(O)=O Amb24629979 [1,1,0,0,0,0|2,0,0]=4 1283 B7R0.2 C=C[C@@H](O)CC(O)=O Amb25314661 [1,1,0,0,0,0|1,0,0]=3 1284 B7R0.2 C=C[C@H](O)CC(O)=O Amb25844309 [1,1,0,0,0,0|1,0,0]=3 1285 B7R0.2 CC(=CC(O)=O)C=O Amb25378040 [1,1,0,0,0,0|0,0,2]=4 1286 B7R0.2 CC(=O)CC(=S)C=O Amb25142738 [1,1,0,0,0,0|1,0,1]=4 1287 B7R0.2 CC(=O)CC(O)C=C Amb25103770 [1,1,0,0,0,0|2,0,0]=4 1288 B7R0.2 CC(=O)CC(O)C=O Amb24481554 [1,1,0,0,0,0|1,0,0]=3 1289 B7R0.2 CC(=O)CC(O)CO Amb25304727 [1,1,0,0,0,0|1,0,1]=4 1290 B7R0.2 CC(=O)CC(S)C=O Amb25838806 [1,1,0,0,0,0|1,0,0]=3 1291 B7R0.2 CC(=O)CN(C)C=O Amb25134136 [1,1,0,0,0,0|2,0,0]=4 1292 B7R0.2 CC(=O)C[C@@H](O)CO Amb24640954 [1,1,0,0,0,0|1,0,1]=4 1293 B7R0.2 CC(=O)C[C@H](O)C=C Amb25051451 [1,1,0,0,0,0|2,0,0]=4 1294 B7R0.2 CC(C#N)CC(=O)O Amb17334057 [1,1,0,0,0,0|1,0,1]=4 1295 B7R0.2 CC(C=O)NC(C)=O Amb18641830 [1,1,0,0,0,0|2,0,0]=4 1296 B7R0.2 CC(C=O)OC(C)=O Amb18641863 [1,1,0,0,0,0|2,0,0]=4 1297 B7R0.2 CC(CC(=C)Br)C=O Amb24380828 [1,1,0,0,0,0|2,0,0]=4 1298 B7R0.2 CC(CC(=O)Cl)C=C Amb25278347 [1,1,0,0,0,0|2,0,0]=4 1299 B7R0.2 CC(CC(C)=C)C=O Amb18641711 [1,1,0,0,0,0|2,0,0]=4 1300 B7R0.2 CC(CC(C)=O)C=O Amb18641789 [1,1,0,0,0,0|1,0,0]=3 1301 B7R0.2 CC(CC(O)=O)=CCl Amb25802122 [1,1,0,0,0,0|1,0,1]=4 1302 B7R0.2 CC(CC(O)=O)C=C Amb18641774 [1,1,0,0,0,0|1,0,0]=3 1303 B7R0.2 CC(CC(O)=O)C=O Amb25836603 [1,1,0,0,0,0|0,0,0]=2 1304 B7R0.2 CC(CC(O)=O)CO Amb18198168 [1,1,0,0,0,0|0,0,1]=3 1305 B7R0.2 CC(CC(O)=O)SCl Amb24483173 [1,1,0,0,0,0|2,0,0]=4 1306 B7R0.2 CC(CN)CC(O)=O Amb18124263 [1,1,0,0,0,0|1,0,1]=4 1307 B7R0.2 CC(CN)CC(O)=O Amb20669501 [1,1,0,0,0,0|1,0,1]=4 1308 B7R0.2 CC(CO)CC(C)=O Amb24606485 [1,1,0,0,0,0|1,0,1]=4 1309 B7R0.2 CC(CO)CC(N)=O Amb24452895 [1,1,0,0,0,0|1,0,1]=4 1310 B7R0.2 CCC(Br)CC(O)=O Amb24370499 [1,1,0,0,0,0|1,0,1]=4 1311 B7R0.2 CCC(CC(=O)O)N Amb1993862 [1,1,0,0,0,0|1,0,1]=4 1312 B7R0.2 CCC(CC(=O)O)O Amb10844270 [1,1,0,0,0,0|1,0,1]=4 1313 B7R0.2 CCC(O)CC(O)=O Amb22363067 [1,1,0,0,0,0|1,0,1]=4 1314 B7R0.2 CCC(S)CC(O)=O Amb18303084 [1,1,0,0,0,0|1,0,1]=4 1315 B7R0.2 CC[C@@H](Br)CC(O)=O Amb24467852 [1,1,0,0,0,0|1,0,1]=4 1316 B7R0.2 CC[C@@H](N)CC(O)=O Amb22225305 [1,1,0,0,0,0|1,0,1]=4 1317 B7R0.2 CC[C@@H](S)CC(O)=O Amb24481337 [1,1,0,0,0,0|1,0,1]=4 1318 B7R0.2 CC[C@H](N)CC(O)=O Amb22226650 [1,1,0,0,0,0|1,0,1]=4 1319 B7R0.2 CN(CC(O)=O)C=O Amb18951578 [1,1,0,0,0,0|1,0,0]=3 1320 B7R0.2 CNC(C)CC(O)=O Amb21959674 [1,1,0,0,0,0|2,0,0]=4 1321 B7R0.2 CN[C@@H](C)CC(O)=O Amb25255193 [1,1,0,0,0,0|2,0,0]=4 1322 B7R0.2 CN[C@H](C)CC(O)=O Amb25339129 [1,1,0,0,0,0|2,0,0]=4 1323 B7R0.2 CO[C@@H](C)CC(O)=O Amb24481367 [1,1,0,0,0,0|2,0,0]=4 1324 B7R0.2 CSC(C)CC(O)=O Amb18967824 [1,1,0,0,0,0|2,0,0]=4 1325 B7R0.2 C[C@@H](C=O)OC(C)=O Amb24724866 [1,1,0,0,0,0|2,0,0]=4 1326 B7R0.2 C[C@@H](CC(=C)Br)C=O Amb25325003 [1,1,0,0,0,0|2,0,0]=4 1327 B7R0.2 C[C@@H](CC(C)=C)C=O Amb24375353 [1,1,0,0,0,0|2,0,0]=4 1328 B7R0.2 C[C@@H](CC(C)=O)C=O Amb24379584 [1,1,0,0,0,0|1,0,0]=3 1329 B7R0.2 C[C@@H](CC(O)=O)ON Amb25189045 [1,1,0,0,0,0|2,0,0]=4 1330 B7R0.2 C[C@@H](CO)CC(C)=O Amb25072788 [1,1,0,0,0,0|1,0,1]=4 1331 B7R0.2 C[C@H](CC(O)=O)C=C Amb25791667 [1,1,0,0,0,0|1,0,0]=3 1332 B7R0.2 C\C(=C/C(O)=O)\C=O Amb25138216 [1,1,0,0,0,0|0,0,2]=4 1333 B7R0.2 C\C(=C\C(O)=O)\C=O Amb24579433 [1,1,0,0,0,0|0,0,2]=4 1334 B7R0.2 C\C(\CC(O)=O)=C\C Amb24481339 [1,1,0,0,0,0|1,0,1]=4 1335 B7R0.2 C\C(\CC(O)=O)=N/O Amb25064289 [1,1,0,0,0,0|1,0,1]=4 1336 B7R0.2 C\C=C(\Cl)/CC(O)=O Amb25174797 [1,1,0,0,0,0|1,0,1]=4 1337 B7R0.2 NC(=O)CC(O)CO Amb25662216 [1,1,0,0,0,0|1,0,1]=4 1338 B7R0.2 NC(CC(N)=O)C=O Amb24482471 [1,1,0,0,0,0|1,0,0]=3 1339 B7R0.2 NC(CF)CC(O)=O Amb24428065 [1,1,0,0,0,0|1,0,1]=4 1340 B7R0.2 NC(CO)CC(N)=O Amb24384089 [1,1,0,0,0,0|1,0,1]=4 1341 B7R0.2 NC(CS)CC(O)=O Amb25090412 [1,1,0,0,0,0|0,1,1]=4 1342 B7R0.2 NCC(F)CC(O)=O Amb24550169 [1,1,0,0,0,0|1,0,1]=4 1343 B7R0.2 NCC(N)CC(O)=O Amb19515145 [1,1,0,0,0,0|1,0,1]=4 1344 B7R0.2 NCC(N)CC(O)=O Amb21858324 [1,1,0,0,0,0|1,0,1]=4 1345 B7R0.2 NCC(N)CC(O)=O Amb22751661 [1,1,0,0,0,0|1,0,1]=4 1346 B7R0.2 NC[C@@H](N)CC(O)=O Amb22751651 [1,1,0,0,0,0|1,0,1]=4 1347 B7R0.2 NC[C@@H](N)CC(O)=O Amb25829509 [1,1,0,0,0,0|1,0,1]=4 1348 B7R0.2 NC[C@H](CC(=O)O)N Amb10603267 [1,1,0,0,0,0|1,0,1]=4 1349 B7R0.2 NC[C@H](N)CC(O)=O Amb25378712 [1,1,0,0,0,0|1,0,1]=4 1350 B7R0.2 N[C@@H](CC(N)=O)C=O Amb24446454 [1,1,0,0,0,0|1,0,0]=3 1351 B7R0.2 N[C@@H](CC(O)=O)C#N Amb25757887 [1,1,0,0,0,0|1,0,1]=4 1352 B7R0.2 N[C@@H](CC([O-])=O)C=O Amb22800169 [1,1,0,0,0,0|0,0,1]=3 1353 B7R0.2 N[C@@H](CO)CC(N)=O Amb24704927 [1,1,0,0,0,0|1,0,1]=4 1354 B7R0.2 N[C@H](CC(O)=O)C=O Amb24643781 [1,1,0,0,0,0|0,0,0]=2 1355 B7R0.2 N[C@H](CC(O)=O)CO Amb22388520 [1,1,0,0,0,0|0,0,1]=3 1356 B7R0.2 N[C@H](CO)CC(N)=O Amb24599306 [1,1,0,0,0,0|1,0,1]=4 1357 B7R0.2 O=NN(CC(=O)O)C Amb17618622 [1,1,0,0,0,0|2,0,0]=4 1358 B7R0.2 OC(=O)CC(=O)NO Amb24444078 [1,1,0,0,0,0|1,0,1]=4 1359 B7R0.2 OC(=O)CC(Br)CCl Amb25834578 [1,1,0,0,0,0|1,0,1]=4 1360 B7R0.2 OC(=O)CC(Cl)CCl Amb25335414 [1,1,0,0,0,0|1,0,1]=4 1361 B7R0.2 OC(=O)CC(F)C=O Amb25114270 [1,1,0,0,0,0|0,0,0]=2 1362 B7R0.2 OC(=O)CN(O)C=O Amb25367291 [1,1,0,0,0,0|1,0,0]=3 1363 B7R0.2 OC(=O)CN(O)N=O Amb25041862 [1,1,0,0,0,0|2,0,0]=4 1364 B7R0.2 OC(=O)\C=C(/Cl)\C=O Amb24452824 [1,1,0,0,0,0|0,0,2]=4 1365 B7R0.2 OC(CCl)CC(O)=O Amb18643354 [1,1,0,0,0,0|1,0,1]=4 1366 B7R0.2 OCC(O)CP(O)=O Amb25316128 [1,1,0,0,0,0|1,0,1]=4 1367 B7R0.2 OC[C@@H](CC(=O)O)N Amb16184020 [1,1,0,0,0,0|0,0,1]=3 1368 B7R0.2 OC[C@H](O)CC(O)=O Amb25326979 [1,1,0,0,0,0|0,0,1]=3 1369 B7R0.2 O[C@H](CBr)CC(O)=O Amb22265826 [1,1,0,0,0,0|1,0,1]=4 1370 B7R0.2 [O-]C(=O)CC(O)C=O Amb22733997 [1,1,0,0,0,0|0,0,1]=3 1371 B7R0.2 [O-]C(=O)CC(O)CO Amb24117078 [1,1,0,0,0,0|0,0,2]=4 1372 B7R0.3 C=CC(=C)CCC=O Amb18123988 [1,1,0,0,0,0|2,0,0]=4 1373 B7R0.3 C=CC(=O)CCCO Amb25284731 [1,1,0,0,0,0|1,0,1]=4 1374 B7R0.3 C=CC(O)CCC=O Amb24573986 [1,1,0,0,0,0|1,0,1]=4 1375 B7R0.3 C=CCCC(=C)C=O Amb25800063 [1,1,0,0,0,0|2,0,0]=4 1376 B7R0.3 C=CCCC(=C)CO Amb25849790 [1,1,0,0,0,0|2,0,0]=4 1377 B7R0.3 C=CCCC(=O)C=C Amb24524288 [1,1,0,0,0,0|2,0,0]=4 1378 B7R0.3 C=CCCC(=O)CBr Amb22059627 [1,1,0,0,0,0|2,0,0]=4 1379 B7R0.3 C=CCCC(=O)CCl Amb22059504 [1,1,0,0,0,0|2,0,0]=4 1380 B7R0.3 C=CCCC(=O)CN Amb24411061 [1,1,0,0,0,0|2,0,0]=4 1381 B7R0.3 C=CCCC(=O)CO Amb25763185 [1,1,0,0,0,0|1,0,0]=3 1382 B7R0.3 C=CCOC(=O)CO Amb24475151 [1,1,0,0,0,0|2,0,0]=4 1383 B7R0.3 C=CCOC(=O)NO Amb24457536 [1,1,0,0,0,0|2,0,0]=4 1384 B7R0.3 CC(CCC=O)=C=C Amb24481520 [1,1,0,0,0,0|2,0,0]=4 1385 B7R0.3 CC(CO)CCC=O Amb25693017 [1,1,0,0,0,0|1,0,1]=4 1386 B7R0.3 CCC(=O)CCC=O Amb18641783 [1,1,0,0,0,0|1,0,0]=3 1387 B7R0.3 CCC(=O)CCCO Amb24629709 [1,1,0,0,0,0|1,0,1]=4 1388 B7R0.3 CCC(=O)CNC=O Amb23442770 [1,1,0,0,0,0|2,0,0]=4 1389 B7R0.3 CCC(=O)NCC=O Amb17102054 [1,1,0,0,0,0|2,0,0]=4 1390 B7R0.3 CCC(=O)OCC=O Amb25779377 [1,1,0,0,0,0|2,0,0]=4 1391 B7R0.3 CCCC[14C](=O)O[Na] Amb22734535 [1,1,0,0,0,0|1,0,1]=4 1392 B7R0.3 CNC(=O)CCC=C Amb25041195 [1,1,0,0,0,0|2,0,0]=4 1393 B7R0.3 CNC(=O)CCCO Amb17231829 [1,1,0,0,0,0|1,0,1]=4 1394 B7R0.3 CNC(=O)CNC=O Amb25789179 [1,1,0,0,0,0|2,0,0]=4 1395 B7R0.3 CNCCC(=O)OC Amb22168213 [1,1,0,0,0,0|2,0,0]=4 1396 B7R0.3 COC(=C)CCC=O Amb18641791 [1,1,0,0,0,0|1,0,0]=3 1397 B7R0.3 COC(=O)CCC#C Amb18115985 [1,1,0,0,0,0|1,0,1]=4 1398 B7R0.3 COC(=O)CCC=C Amb2369959 [1,1,0,0,0,0|1,0,0]=3 1399 B7R0.3 COC(=O)CCC=O Amb18124259 [1,1,0,0,0,0|0,0,0]=2 1400 B7R0.3 COC(=O)CCCS Amb19373761 [1,1,0,0,0,0|0,1,1]=4 1401 B7R0.3 COC(=O)CCNN Amb24524272 [1,1,0,0,0,0|2,0,0]=4 1402 B7R0.3 COC(=O)CCNO Amb24644523 [1,1,0,0,0,0|1,0,0]=3 1403 B7R0.3 COC(=O)CCON Amb18641968 [1,1,0,0,0,0|2,0,0]=4 1404 B7R0.3 COC(=O)CC[Zn]Br Amb22898090 [1,1,0,0,0,0|2,0,0]=4 1405 B7R0.3 COC(=O)CNC=O Amb22000868 [1,1,0,0,0,0|1,0,0]=3 1406 B7R0.3 COC(=O)CNCO Amb25369412 [1,1,0,0,0,0|1,0,1]=4 1407 B7R0.3 COC(=O)C\C=C\I Amb24531368 [1,1,0,0,0,0|1,0,1]=4 1408 B7R0.3 COC(=O)NCC=C Amb17794125 [1,1,0,0,0,0|2,0,0]=4 1409 B7R0.3 COC(=O)\C=C/C=O Amb24483047 [1,1,0,0,0,0|0,0,2]=4 1410 B7R0.3 COC(=O)\C=C\C=O Amb18641759 [1,1,0,0,0,0|0,0,2]=4 1411 B7R0.3 COCCC(=O)CO Amb25049164 [1,1,0,0,0,0|2,0,0]=4 1412 B7R0.3 CO\C(\C)=C\CC=O Amb25365197 [1,1,0,0,0,0|1,0,1]=4 1413 B7R0.3 CSCCC(=O)NO Amb25756883 [1,1,0,0,0,0|2,0,0]=4 1414 B7R0.3 C[C@@H](CO)CCC=O Amb24602985 [1,1,0,0,0,0|1,0,1]=4 1415 B7R0.3 C[C@H](CCC=O)C=O Amb24707164 [1,1,0,0,0,0|1,0,1]=4 1416 B7R0.3 C\C=C(/C)\CCC=O Amb18641710 [1,1,0,0,0,0|2,0,0]=4 1417 B7R0.3 C\C=C(\C)/CCC=O Amb24425599 [1,1,0,0,0,0|2,0,0]=4 1418 B7R0.3 NC(CNC=O)=NO Amb24481467 [1,1,0,0,0,0|2,0,0]=4 1419 B7R0.3 NCC(=O)CCCO Amb24471240 [1,1,0,0,0,0|1,0,1]=4 1420 B7R0.3 NNC(=O)CCNO Amb25128022 [1,1,0,0,0,0|2,0,0]=4 1421 B7R0.3 O=CC(Cl)=CCC=O Amb24745897 [1,1,0,0,0,0|1,0,1]=4 1422 B7R0.3 O=CCCC(=O)C=O Amb25024665 [1,1,0,0,0,0|0,0,1]=3 1423 B7R0.3 O=CCCN(N=O)C Amb17617679 [1,1,0,0,0,0|2,0,0]=4 1424 B7R0.3 OC(CBr)CCC=O Amb24559224 [1,1,0,0,0,0|1,0,1]=4 1425 B7R0.3 OCC(=O)CCCCl Amb24481374 [1,1,0,0,0,0|1,0,1]=4 1426 B7R0.3 OCC(=O)\C=C/C=O Amb18641763 [1,1,0,0,0,0|0,0,2]=4 1427 B7R0.3 OCC(=O)\C=C\C=O Amb24574003 [1,1,0,0,0,0|0,0,2]=4 1428 B7R0.3 OCC(O)CCC=O Amb24669095 [1,1,0,0,0,0|0,0,2]=4 1429 B7R0.3 OCCCC(O)C=O Amb18641948 [1,1,0,0,0,0|0,0,2]=4 1430 B7R0.3 OCCC[C@H](O)C=O Amb24570447 [1,1,0,0,0,0|0,0,2]=4 1431 B7R0.3 OC[C@@H](O)CCC=O Amb24482301 [1,1,0,0,0,0|0,0,2]=4 1432 B7R0.3 OC[C@H](O)CCC=O Amb25123219 [1,1,0,0,0,0|0,0,2]=4 1433 B7R0.3 O[C@@H](CBr)CCC=O Amb24390114 [1,1,0,0,0,0|1,0,1]=4 1434 B7R0.4 C#CCSCC(=O)O Amb2372297 [1,1,0,0,0,0|1,0,1]=4 1435 B7R0.4 C#C\C=C\CC(O)=O Amb24409578 [1,1,0,0,0,0|1,0,1]=4 1436 B7R0.4 C=C(Br)CCCC=O Amb24390485 [1,1,0,0,0,0|2,0,0]=4 1437 B7R0.4 C=CCCCC(=O)C Amb17593171 [1,1,0,0,0,0|2,0,0]=4 1438 B7R0.4 C=CCCCC(N)=O Amb24579642 [1,1,0,0,0,0|2,0,0]=4 1439 B7R0.4 C=CCCNC(N)=O Amb25789999 [1,1,0,0,0,0|2,0,0]=4 1440 B7R0.4 C=CCCNC(O)=S Amb25083092 [1,1,0,0,0,0|1,1,0]=4 1441 B7R0.4 C=CCSCC(=O)O Amb1110888 [1,1,0,0,0,0|1,0,0]=3 1442 B7R0.4 C=CCSCC(N)=O Amb19129905 [1,1,0,0,0,0|2,0,0]=4 1443 B7R0.4 C=CC\C=C\C(O)=O Amb18641681 [1,1,0,0,0,0|1,0,1]=4 1444 B7R0.4 CC(=C)CCCC=O Amb18641705 [1,1,0,0,0,0|2,0,0]=4 1445 B7R0.4 CC(=O)CCCC=O Amb18641775 [1,1,0,0,0,0|1,0,0]=3 1446 B7R0.4 CC(=O)CCN=C=O Amb24481500 [1,1,0,0,0,0|1,0,1]=4 1447 B7R0.4 CC(=O)CCNC=O Amb25075578 [1,1,0,0,0,0|1,0,0]=3 1448 B7R0.4 CC(=O)CCOC=O Amb24408302 [1,1,0,0,0,0|1,0,0]=3 1449 B7R0.4 CC(=O)CC\C=C/Br Amb25758398 [1,1,0,0,0,0|2,0,0]=4 1450 B7R0.4 CC(=O)CC\C=C\Br Amb25336747 [1,1,0,0,0,0|2,0,0]=4 1451 B7R0.4 CC(=O)CNCCO Amb18108527 [1,1,0,0,0,0|1,0,1]=4 1452 B7R0.4 CC(=O)COCC=O Amb18641868 [1,1,0,0,0,0|1,0,0]=3 1453 B7R0.4 CC(=O)CSCC=C Amb25767863 [1,1,0,0,0,0|2,0,0]=4 1454 B7R0.4 CC(=O)C\C=C\CO Amb24583096 [1,1,0,0,0,0|1,0,1]=4 1455 B7R0.4 CC(=O)NCNC=O Amb24568316 [1,1,0,0,0,0|2,0,0]=4 1456 B7R0.4 CC(=O)OCCC=O Amb18641862 [1,1,0,0,0,0|1,0,0]=3 1457 B7R0.4 CC(=O)OCCCO Amb25854267 [1,1,0,0,0,0|1,0,1]=4 1458 B7R0.4 CC(=O)SCCC=C Amb24117956 [1,1,0,0,0,0|2,0,0]=4 1459 B7R0.4 CC(=O)SCCC=O Amb25101351 [1,1,0,0,0,0|1,0,0]=3 1460 B7R0.4 CC(=O)SCNC=O Amb25378456 [1,1,0,0,0,0|2,0,0]=4 1461 B7R0.4 CC(=O)SC\C=C\O Amb24371969 [1,1,0,0,0,0|1,0,1]=4 1462 B7R0.4 CC(O)CCCC=O Amb18641887 [1,1,0,0,0,0|1,0,1]=4 1463 B7R0.4 CC(O)CCNC=O Amb24533830 [1,1,0,0,0,0|1,0,1]=4 1464 B7R0.4 CC=C=CCC(O)=O Amb25118481 [1,1,0,0,0,0|1,0,1]=4 1465 B7R0.4 CCCCC[13C](O)=O Amb22353417 [1,1,0,0,0,0|1,0,1]=4 1466 B7R0.4 CCCC[13CH2][13C](O)=O Amb22367381 [1,1,0,0,0,0|1,0,1]=4 1467 B7R0.4 CCCNCC(=O)O Amb10609640 [1,1,0,0,0,0|1,0,1]=4 1468 B7R0.4 CCCNCC(=O)O Amb1110628 [1,1,0,0,0,0|1,0,1]=4 1469 B7R0.4 CCCSCC(=O)O Amb1137113 [1,1,0,0,0,0|1,0,1]=4 1470 B7R0.4 CNCCCC(=O)O Amb1153115 [1,1,0,0,0,0|1,0,1]=4 1471 B7R0.4 COCCCC(=O)Cl Amb24481572 [1,1,0,0,0,0|1,0,1]=4 1472 B7R0.4 COCCCC(N)=O Amb24670109 [1,1,0,0,0,0|1,0,1]=4 1473 B7R0.4 CONCCC(C)=O Amb25342369 [1,1,0,0,0,0|2,0,0]=4 1474 B7R0.4 CONCCC(N)=O Amb24481431 [1,1,0,0,0,0|2,0,0]=4 1475 B7R0.4 CONCCC(O)=O Amb24441275 [1,1,0,0,0,0|1,0,0]=3 1476 B7R0.4 CO\C=C\CC(O)=O Amb25174889 [1,1,0,0,0,0|0,0,1]=3 1477 B7R0.4 CS(=O)CCNC=O Amb24350245 [1,1,0,0,0,0|2,0,0]=4 1478 B7R0.4 CSCCCC(=O)O Amb17503622 [1,1,0,0,0,0|0,1,1]=4 1479 B7R0.4 C[C@@H](O)CCCC=O Amb22896885 [1,1,0,0,0,0|1,0,1]=4 1480 B7R0.4 C[Se]CCCC(O)=O Amb22347334 [1,1,0,0,0,0|0,1,1]=4 1481 B7R0.4 C\C(\F)=C\CCC=O Amb25290222 [1,1,0,0,0,0|2,0,0]=4 1482 B7R0.4 C\C=C/CCC(C)=O Amb24333832 [1,1,0,0,0,0|2,0,0]=4 1483 B7R0.4 C\C=C\CCC(=O)Cl Amb25246754 [1,1,0,0,0,0|2,0,0]=4 1484 B7R0.4 C\C=C\CCC(=O)O Amb10071500 [1,1,0,0,0,0|1,0,0]=3 1485 B7R0.4 C\C=C\CCC(N)=O Amb25343167 [1,1,0,0,0,0|2,0,0]=4 1486 B7R0.4 ClC(=O)OCCC=C Amb10844792 [1,1,0,0,0,0|2,0,0]=4 1487 B7R0.4 N#CCCCC(O)=O Amb18560874 [1,1,0,0,0,0|1,0,1]=4 1488 B7R0.4 N#CSCCC(O)=O Amb24481186 [1,1,0,0,0,0|1,0,1]=4 1489 B7R0.4 N#C\C=C/CC(O)=O Amb18641630 [1,1,0,0,0,0|1,0,1]=4 1490 B7R0.4 NC(=O)CCNC=O Amb24630476 [1,1,0,0,0,0|1,0,0]=3 1491 B7R0.4 NC(=O)CC\C=C\Cl Amb25173831 [1,1,0,0,0,0|2,0,0]=4 1492 B7R0.4 NC(=O)CONC=O Amb25783022 [1,1,0,0,0,0|2,0,0]=4 1493 B7R0.4 NC(=O)CSCC=O Amb25806671 [1,1,0,0,0,0|1,0,0]=3 1494 B7R0.4 NC(N)=NCCC=O Amb25265924 [1,1,0,0,0,0|2,0,0]=4 1495 B7R0.4 NCCCNC(O)=O Amb24093884 [1,1,0,0,0,0|1,0,1]=4 1496 B7R0.4 NCCNCC(=O)O Amb17608063 [1,1,0,0,0,0|1,0,1]=4 1497 B7R0.4 NCCNCC(O)=O Amb19958818 [1,1,0,0,0,0|1,0,1]=4 1498 B7R0.4 NCCOCC(O)=O Amb18630146 [1,1,0,0,0,0|1,0,1]=4 1499 B7R0.4 NCCOCC(O)=O Amb22751540 [1,1,0,0,0,0|1,0,1]=4 1500 B7R0.4 NCCSCC(=O)O Amb17500446 [1,1,0,0,0,0|1,0,1]=4 1501 B7R0.4 NCCSCC(O)=O Amb20622325 [1,1,0,0,0,0|1,0,1]=4 1502 B7R0.4 NC\C=C\CC(O)=O Amb18641825 [1,1,0,0,0,0|1,0,1]=4 1503 B7R0.4 NNCCCC(O)=O Amb24455803 [1,1,0,0,0,0|1,0,1]=4 1504 B7R0.4 NOCCCC(=O)O Amb10975956 [1,1,0,0,0,0|0,0,1]=3 1505 B7R0.4 NOCCCC(O)=O Amb22011795 [1,1,0,0,0,0|0,0,1]=3 1506 B7R0.4 O=C=NCCC(=O)Cl Amb17593404 [1,1,0,0,0,0|1,0,1]=4 1507 B7R0.4 O=CCCC=C(C)C Amb17593168 [1,1,0,0,0,0|2,0,0]=4 1508 B7R0.4 O=CCCC=C(F)F Amb25827612 [1,1,0,0,0,0|2,0,0]=4 1509 B7R0.4 O=CCCCC(=O)O Amb17593198 [1,1,0,0,0,0|0,0,0]=2 1510 B7R0.4 O=CCCNC(=O)C Amb17102165 [1,1,0,0,0,0|1,0,0]=3 1511 B7R0.4 OC(=O)CCC=C=C Amb10605299 [1,1,0,0,0,0|1,0,0]=3 1512 B7R0.4 OC(=O)CCN=C=S Amb24562253 [1,1,0,0,0,0|0,1,1]=4 1513 B7R0.4 OC(=O)CCNC=O Amb18290434 [1,1,0,0,0,0|0,0,0]=2 1514 B7R0.4 OC(=O)CC\C=C\Br Amb25238247 [1,1,0,0,0,0|1,0,0]=3 1515 B7R0.4 OC(=O)CC\C=C\Cl Amb25803087 [1,1,0,0,0,0|1,0,0]=3 1516 B7R0.4 OC(=O)CNCCS Amb18124468 [1,1,0,0,0,0|0,1,1]=4 1517 B7R0.4 OC(=O)COCCBr Amb24057760 [1,1,0,0,0,0|1,0,1]=4 1518 B7R0.4 OC(=O)COCCCl Amb21857870 [1,1,0,0,0,0|1,0,1]=4 1519 B7R0.4 OC(=O)CSCC=O Amb24628311 [1,1,0,0,0,0|0,0,0]=2 1520 B7R0.4 OC(=O)CSCCCl Amb18644703 [1,1,0,0,0,0|1,0,1]=4 1521 B7R0.4 OC(=O)CSCCS Amb24711400 [1,1,0,0,0,0|0,1,1]=4 1522 B7R0.4 OC(=O)CS\C=C/Cl Amb24693896 [1,1,0,0,0,0|1,0,1]=4 1523 B7R0.4 OC(=O)CS\C=C\Cl Amb18125504 [1,1,0,0,0,0|1,0,1]=4 1524 B7R0.4 OC(=O)C\C=C/CS Amb18124361 [1,1,0,0,0,0|0,1,1]=4 1525 B7R0.4 OC(=O)C\C=C\C=C Amb17593152 [1,1,0,0,0,0|1,0,1]=4 1526 B7R0.4 OC(=O)C\C=C\C=O Amb24437944 [1,1,0,0,0,0|0,0,1]=3 1527 B7R0.4 OC(=O)C\C=C\CBr Amb18125611 [1,1,0,0,0,0|1,0,1]=4 1528 B7R0.4 OC(=O)C\C=C\CCl Amb18124409 [1,1,0,0,0,0|1,0,1]=4 1529 B7R0.4 OC(=O)C\C=C\CS Amb24693621 [1,1,0,0,0,0|0,1,1]=4 1530 B7R0.4 OCC#CCC(O)=O Amb24395623 [1,1,0,0,0,0|0,0,2]=4 1531 B7R0.4 OCCC#CC(O)=O Amb25844914 [1,1,0,0,0,0|0,0,2]=4 1532 B7R0.4 OCCCCC(=O)C Amb10603864 [1,1,0,0,0,0|1,0,1]=4 1533 B7R0.4 OCCCCC(=O)[O-] Amb13952763 [1,1,0,0,0,0|0,0,2]=4 1534 B7R0.4 OCCCCC(O)=O Amb22351244 [1,1,0,0,0,0|0,0,1]=3 1535 B7R0.4 OCCSCC(=O)O Amb1110090 [1,1,0,0,0,0|0,0,1]=3 1536 B7R0.4 OCC\C=C\C(O)=O Amb21929352 [1,1,0,0,0,0|0,0,2]=4 1537 B7R0.4 SCCCCC(=O)O Amb17503767 [1,1,0,0,0,0|0,1,1]=4 1538 B7R0.4 [N-]=[N+]=NCCC(O)=O Amb20622326 [1,1,0,0,0,0|2,0,0]=4 1539 B7R0.4 [O-]C(=O)CCCCO Amb22749314 [1,1,0,0,0,0|0,0,2]=4 1540 B7R0.5 C#CCC(N)C(O)=O Amb19944472 [1,1,0,0,0,0|1,0,1]=4 1541 B7R0.5 C#CC[C@@H](N)C(O)=O Amb22748688 [1,1,0,0,0,0|1,0,1]=4 1542 B7R0.5 C#CC[C@@H](O)C(O)=O Amb25189884 [1,1,0,0,0,0|1,0,1]=4 1543 B7R0.5 C=C(CC=C)C(O)=O Amb18641687 [1,1,0,0,0,0|1,0,1]=4 1544 B7R0.5 C=CCC(Br)C(=O)Cl Amb25690180 [1,1,0,0,0,0|2,0,0]=4 1545 B7R0.5 C=CCC(Br)C(O)=O Amb18648213 [1,1,0,0,0,0|1,0,0]=3 1546 B7R0.5 C=CCC(Cl)C(O)=O Amb25056173 [1,1,0,0,0,0|1,0,0]=3 1547 B7R0.5 C=CCC(N)C(O)=O Amb21856826 [1,1,0,0,0,0|1,0,0]=3 1548 B7R0.5 C=CCC(N)P(O)=O Amb24377187 [1,1,0,0,0,0|2,0,0]=4 1549 B7R0.5 C=CCC(O)C(=C)O Amb25072081 [1,1,0,0,0,0|2,0,0]=4 1550 B7R0.5 C=CC[C@@H](F)C(O)=O Amb24481338 [1,1,0,0,0,0|1,0,0]=3 1551 B7R0.5 C=CC[C@@H](N)C(O)=O Amb22745310 [1,1,0,0,0,0|1,0,0]=3 1552 B7R0.5 C=CC[C@@H](O)C(O)=O Amb24548731 [1,1,0,0,0,0|1,0,0]=3 1553 B7R0.5 CC(=C)C(O)CC=O Amb24481571 [1,1,0,0,0,0|2,0,0]=4 1554 B7R0.5 CC(=O)C(=O)CC=O Amb24524264 [1,1,0,0,0,0|1,0,1]=4 1555 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [1,1,0,0,0,0|1,0,0]=3 1556 B7R0.5 CC(=O)C(F)CC=C Amb19889753 [1,1,0,0,0,0|2,0,0]=4 1557 B7R0.5 CC(=O)C(N)CCO Amb25087112 [1,1,0,0,0,0|1,0,1]=4 1558 B7R0.5 CC(=O)C(S)CCO Amb25831127 [1,1,0,0,0,0|1,0,1]=4 1559 B7R0.5 CC(=O)[C@@H](O)CC=O Amb25839860 [1,1,0,0,0,0|1,0,0]=3 1560 B7R0.5 CC(=O)[C@H](O)CC=C Amb24662420 [1,1,0,0,0,0|2,0,0]=4 1561 B7R0.5 CC(C(=O)C)CCO Amb13881368 [1,1,0,0,0,0|1,0,1]=4 1562 B7R0.5 CC(C(=O)O)CC#N Amb17334056 [1,1,0,0,0,0|1,0,1]=4 1563 B7R0.5 CC(C(=O)O)CNC Amb13952364 [1,1,0,0,0,0|2,0,0]=4 1564 B7R0.5 CC(C=NO)C(O)=O Amb24616398 [1,1,0,0,0,0|1,0,1]=4 1565 B7R0.5 CC(CC#C)C(O)=O Amb18633959 [1,1,0,0,0,0|1,0,1]=4 1566 B7R0.5 CC(CC=C)C(=O)Cl Amb25702960 [1,1,0,0,0,0|2,0,0]=4 1567 B7R0.5 CC(CC=C)C(C)=O Amb19373098 [1,1,0,0,0,0|2,0,0]=4 1568 B7R0.5 CC(CC=O)C(C)=O Amb18641772 [1,1,0,0,0,0|1,0,0]=3 1569 B7R0.5 CC(CCF)C(O)=O Amb24678386 [1,1,0,0,0,0|1,0,1]=4 1570 B7R0.5 CC(CCN)C(O)=O Amb20667970 [1,1,0,0,0,0|1,0,1]=4 1571 B7R0.5 CC(CCO)C(O)=O Amb18641949 [1,1,0,0,0,0|0,0,1]=3 1572 B7R0.5 CC(CCS)C(O)=O Amb25133689 [1,1,0,0,0,0|0,1,1]=4 1573 B7R0.5 CC(NC=O)C(C)=O Amb23442778 [1,1,0,0,0,0|2,0,0]=4 1574 B7R0.5 CC(NC=O)C(N)=O Amb24533730 [1,1,0,0,0,0|2,0,0]=4 1575 B7R0.5 CC(O)C(O)CC=O Amb25745503 [1,1,0,0,0,0|1,0,1]=4 1576 B7R0.5 CCCC(C(=O)O)Cl Amb17593470 [1,1,0,0,0,0|1,0,1]=4 1577 B7R0.5 CCCC(C(=O)O)O Amb2582532 [1,1,0,0,0,0|1,0,1]=4 1578 B7R0.5 CCCC(F)C(O)=O Amb25842008 [1,1,0,0,0,0|1,0,1]=4 1579 B7R0.5 CCCC(S)C(O)=O Amb18124440 [1,1,0,0,0,0|1,0,1]=4 1580 B7R0.5 CCC[C@@H](O)C(O)=O Amb22746731 [1,1,0,0,0,0|1,0,1]=4 1581 B7R0.5 CCC[C@H](F)C(O)=O Amb24657412 [1,1,0,0,0,0|1,0,1]=4 1582 B7R0.5 CCC[C@H](O)C(O)=O Amb22226514 [1,1,0,0,0,0|1,0,1]=4 1583 B7R0.5 CNCC(C(=O)O)N Amb10071505 [1,1,0,0,0,0|2,0,0]=4 1584 B7R0.5 CNCC(C(=O)O)N Amb10845350 [1,1,0,0,0,0|2,0,0]=4 1585 B7R0.5 CNCC(F)C(O)=O Amb24666017 [1,1,0,0,0,0|2,0,0]=4 1586 B7R0.5 CNC[C@@H](C(=O)O)N Amb17617148 [1,1,0,0,0,0|2,0,0]=4 1587 B7R0.5 CNC[C@@H](N)C(O)=O Amb19133072 [1,1,0,0,0,0|2,0,0]=4 1588 B7R0.5 CNC[C@@H](N)C(O)=O Amb22746009 [1,1,0,0,0,0|2,0,0]=4 1589 B7R0.5 CNC[C@@H](N)C(O)=O Amb22748835 [1,1,0,0,0,0|2,0,0]=4 1590 B7R0.5 CNC[C@H](N)C(O)=O Amb19892230 [1,1,0,0,0,0|2,0,0]=4 1591 B7R0.5 CNC[C@H](O)C(O)=O Amb25689188 [1,1,0,0,0,0|2,0,0]=4 1592 B7R0.5 COCC(C(=O)O)Br Amb17594709 [1,1,0,0,0,0|2,0,0]=4 1593 B7R0.5 COCC(C(=O)O)Cl Amb10068384 [1,1,0,0,0,0|2,0,0]=4 1594 B7R0.5 COCC(F)C(O)=O Amb24526772 [1,1,0,0,0,0|2,0,0]=4 1595 B7R0.5 COCC(O)C(O)=O Amb18124273 [1,1,0,0,0,0|2,0,0]=4 1596 B7R0.5 COC[C@@H](N)C(O)=O Amb22744762 [1,1,0,0,0,0|2,0,0]=4 1597 B7R0.5 COC[C@@H](O)C(O)=O Amb25829059 [1,1,0,0,0,0|2,0,0]=4 1598 B7R0.5 COC[C@H](C(=O)O)N Amb10604051 [1,1,0,0,0,0|2,0,0]=4 1599 B7R0.5 CSCC(C)C(O)=O Amb18967825 [1,1,0,0,0,0|2,0,0]=4 1600 B7R0.5 CSCC(O)C(O)=O Amb25131873 [1,1,0,0,0,0|2,0,0]=4 1601 B7R0.5 CSC[C@H](O)C(O)=O Amb24435256 [1,1,0,0,0,0|2,0,0]=4 1602 B7R0.5 C[C@@H](C(=O)O)CC#C Amb10844029 [1,1,0,0,0,0|1,0,1]=4 1603 B7R0.5 C[C@@H](C(=O)O)CC=C Amb10844040 [1,1,0,0,0,0|1,0,0]=3 1604 B7R0.5 C[C@@H](C(=O)O)CCC Amb10844028 [1,1,0,0,0,0|1,0,1]=4 1605 B7R0.5 C[C@@H](CC=C)C(N)=O Amb25232867 [1,1,0,0,0,0|2,0,0]=4 1606 B7R0.5 C[C@@H](CCS)C(O)=O Amb25786376 [1,1,0,0,0,0|0,1,1]=4 1607 B7R0.5 C[C@@H](NC=O)C(O)=O Amb22746684 [1,1,0,0,0,0|1,0,0]=3 1608 B7R0.5 C[C@H](C(=O)O)CC#C Amb10844036 [1,1,0,0,0,0|1,0,1]=4 1609 B7R0.5 C[C@H](C(=O)O)CC=C Amb10844033 [1,1,0,0,0,0|1,0,0]=3 1610 B7R0.5 C[C@H](C(=O)O)CCC Amb10844037 [1,1,0,0,0,0|1,0,1]=4 1611 B7R0.5 C[C@H](C(=O)O)CCN Amb10844043 [1,1,0,0,0,0|1,0,1]=4 1612 B7R0.5 C[C@H](C(=O)O)COC Amb10844266 [1,1,0,0,0,0|2,0,0]=4 1613 B7R0.5 C[C@H](CC#N)C(O)=O Amb24725603 [1,1,0,0,0,0|1,0,1]=4 1614 B7R0.5 C[C@H](CCO)C(O)=O Amb24483065 [1,1,0,0,0,0|0,0,1]=3 1615 B7R0.5 C[C@H](NCO)C(O)=O Amb24401217 [1,1,0,0,0,0|1,0,1]=4 1616 B7R0.5 C[Se]C[C@@H](C(=O)O)N Amb10601626 [1,1,0,0,0,0|2,0,0]=4 1617 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22350259 [1,1,0,0,0,0|2,0,0]=4 1618 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22745692 [1,1,0,0,0,0|2,0,0]=4 1619 B7R0.5 C\C=C\C(C)C(O)=O Amb18641786 [1,1,0,0,0,0|1,0,1]=4 1620 B7R0.5 C\C=C\C(N)C(O)=O Amb24481451 [1,1,0,0,0,0|1,0,1]=4 1621 B7R0.5 C\C=C\C(O)C(O)=O Amb24481382 [1,1,0,0,0,0|1,0,1]=4 1622 B7R0.5 C\C=C\[C@@H](C)C(O)=O Amb25719907 [1,1,0,0,0,0|1,0,1]=4 1623 B7R0.5 C\C=C\[C@H](C)C(O)=O Amb24481336 [1,1,0,0,0,0|1,0,1]=4 1624 B7R0.5 N#CCC(O)C(O)=O Amb25678609 [1,1,0,0,0,0|1,0,1]=4 1625 B7R0.5 NC(=O)C(O)CCO Amb25703294 [1,1,0,0,0,0|1,0,1]=4 1626 B7R0.5 NC(=O)C(S)CCO Amb24525295 [1,1,0,0,0,0|1,0,1]=4 1627 B7R0.5 NC(C(=O)O)CCBr Amb10576584 [1,1,0,0,0,0|1,0,1]=4 1628 B7R0.5 NC(CC#N)C(O)=O Amb18641766 [1,1,0,0,0,0|1,0,1]=4 1629 B7R0.5 NC(CCBr)C(O)=O Amb21858417 [1,1,0,0,0,0|1,0,1]=4 1630 B7R0.5 NC(CCI)C(O)=O Amb25339674 [1,1,0,0,0,0|1,0,1]=4 1631 B7R0.5 NC(CCO)C(N)=O Amb24481392 [1,1,0,0,0,0|1,0,1]=4 1632 B7R0.5 NC(CCS)C(O)=O Amb19267093 [1,1,0,0,0,0|0,1,1]=4 1633 B7R0.5 NC(CS=O)C(O)=O Amb24557184 [1,1,0,0,0,0|1,0,0]=3 1634 B7R0.5 NC(CSCl)C(O)=O Amb24482298 [1,1,0,0,0,0|2,0,0]=4 1635 B7R0.5 NC(CSO)C(O)=O Amb24746797 [1,1,0,0,0,0|1,0,0]=3 1636 B7R0.5 NC(CSS)C(O)=O Amb24614616 [1,1,0,0,0,0|1,1,0]=4 1637 B7R0.5 NC(\C=C\Cl)C(O)=O Amb24483058 [1,1,0,0,0,0|1,0,1]=4 1638 B7R0.5 NCCC(C(=O)O)F Amb10838221 [1,1,0,0,0,0|1,0,1]=4 1639 B7R0.5 NCCC(C(=O)O)O Amb16232090 [1,1,0,0,0,0|1,0,1]=4 1640 B7R0.5 NCCC(Cl)C(O)=O Amb18124502 [1,1,0,0,0,0|1,0,1]=4 1641 B7R0.5 NCCC(F)C(O)=O Amb22229524 [1,1,0,0,0,0|1,0,1]=4 1642 B7R0.5 NCCC(N)C(O)=O Amb17678762 [1,1,0,0,0,0|1,0,1]=4 1643 B7R0.5 NCCC(N)C(O)=O Amb22348212 [1,1,0,0,0,0|1,0,1]=4 1644 B7R0.5 NCCC(S)C(O)=O Amb25083375 [1,1,0,0,0,0|1,0,1]=4 1645 B7R0.5 NCC[C@@H](Cl)C(O)=O Amb24481492 [1,1,0,0,0,0|1,0,1]=4 1646 B7R0.5 NCC[C@@H](F)C(O)=O Amb24055858 [1,1,0,0,0,0|1,0,1]=4 1647 B7R0.5 NCC[C@@H](N)C(O)=O Amb22750574 [1,1,0,0,0,0|1,0,1]=4 1648 B7R0.5 NCC[C@@H](N)C(O)=O Amb23438994 [1,1,0,0,0,0|1,0,1]=4 1649 B7R0.5 NCC[C@@H](O)C(O)=O Amb22225364 [1,1,0,0,0,0|1,0,1]=4 1650 B7R0.5 NCC[C@@H](O)C(O)=O Amb22748225 [1,1,0,0,0,0|1,0,1]=4 1651 B7R0.5 NCC[C@H](F)C(O)=O Amb24055857 [1,1,0,0,0,0|1,0,1]=4 1652 B7R0.5 NCC[C@H](N)C(O)=O Amb22886961 [1,1,0,0,0,0|1,0,1]=4 1653 B7R0.5 NOCC(N)C(O)=O Amb24184086 [1,1,0,0,0,0|2,0,0]=4 1654 B7R0.5 NOC[C@@H](N)C(O)=O Amb25791301 [1,1,0,0,0,0|2,0,0]=4 1655 B7R0.5 NOC[C@H](N)C(O)=O Amb24548229 [1,1,0,0,0,0|2,0,0]=4 1656 B7R0.5 N[C@@H](C(=O)O)CC#C Amb16183954 [1,1,0,0,0,0|1,0,1]=4 1657 B7R0.5 N[C@@H](C(=O)O)CCN Amb16183852 [1,1,0,0,0,0|1,0,1]=4 1658 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22746780 [1,1,0,0,0,0|0,0,0]=2 1659 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22748768 [1,1,0,0,0,0|0,0,0]=2 1660 B7R0.5 N[C@@H](CCBr)C(O)=O Amb22748283 [1,1,0,0,0,0|1,0,1]=4 1661 B7R0.5 N[C@@H](CCO)C(O)=O Amb20242705 [1,1,0,0,0,0|0,0,1]=3 1662 B7R0.5 N[C@@H](CNO)C(O)=O Amb24481412 [1,1,0,0,0,0|1,0,0]=3 1663 B7R0.5 N[C@@H](CO[SiH3])C(O)=O Amb24526864 [1,1,0,0,0,0|2,0,0]=4 1664 B7R0.5 N[C@@H](CSCl)C(O)=O Amb25055747 [1,1,0,0,0,0|2,0,0]=4 1665 B7R0.5 N[C@@H](CSO)C(O)=O Amb24481432 [1,1,0,0,0,0|1,0,0]=3 1666 B7R0.5 N[C@H](C(=O)O)CC#N Amb16183916 [1,1,0,0,0,0|1,0,1]=4 1667 B7R0.5 N[C@H](C(=O)O)CC=C Amb10982568 [1,1,0,0,0,0|1,0,0]=3 1668 B7R0.5 N[C@H](C(=O)O)CCN Amb16183862 [1,1,0,0,0,0|1,0,1]=4 1669 B7R0.5 N[C@H](CCS)C(O)=O Amb22230515 [1,1,0,0,0,0|0,1,1]=4 1670 B7R0.5 N[C@H](CNO)C(O)=O Amb24745929 [1,1,0,0,0,0|1,0,0]=3 1671 B7R0.5 N[C@H](\C=C\Cl)C(O)=O Amb25230190 [1,1,0,0,0,0|1,0,1]=4 1672 B7R0.5 O=CCC(C(=O)O)N Amb16232081 [1,1,0,0,0,0|0,0,0]=2 1673 B7R0.5 O=CCN(C(=O)C)C Amb17080668 [1,1,0,0,0,0|2,0,0]=4 1674 B7R0.5 O=CNC(C(=O)O)C Amb1144629 [1,1,0,0,0,0|1,0,0]=3 1675 B7R0.5 OC(=O)C(=O)CCO Amb25677024 [1,1,0,0,0,0|0,0,2]=4 1676 B7R0.5 OC(=O)C(=O)\C=C\O Amb24699120 [1,1,0,0,0,0|0,0,2]=4 1677 B7R0.5 OC(=O)C(Br)CCBr Amb19889695 [1,1,0,0,0,0|1,0,1]=4 1678 B7R0.5 OC(=O)C(Br)CCF Amb25073798 [1,1,0,0,0,0|1,0,1]=4 1679 B7R0.5 OC(=O)C(Cl)CCCl Amb18126030 [1,1,0,0,0,0|1,0,1]=4 1680 B7R0.5 OC(=O)C(O)=CC=O Amb25339531 [1,1,0,0,0,0|0,0,2]=4 1681 B7R0.5 OC(=O)[C@H](S)CCS Amb24483251 [1,1,0,0,0,0|0,1,1]=4 1682 B7R0.5 OC(=O)\C(\Br)=C\C=O Amb25242509 [1,1,0,0,0,0|0,0,2]=4 1683 B7R0.5 OC(=O)\C(\O)=C\C=O Amb25082413 [1,1,0,0,0,0|0,0,2]=4 1684 B7R0.5 OC(CC=O)C(O)=O Amb25225249 [1,1,0,0,0,0|0,0,0]=2 1685 B7R0.5 OC(CCS)C(O)=O Amb24586206 [1,1,0,0,0,0|0,1,1]=4 1686 B7R0.5 OCCC(O)C(O)=O Amb24689942 [1,1,0,0,0,0|0,0,1]=3 1687 B7R0.5 O[15NH]CC(C(=O)O)N Amb17608097 [1,1,0,0,0,0|1,0,0]=3 1688 B7R0.5 O[C@@H](CCF)C(O)=O Amb24481351 [1,1,0,0,0,0|1,0,1]=4 1689 B7R0.8 CP(O)(=O)CCCO Amb24448096 [1,1,0,0,0,0|1,0,1]=4 1690 B7R0.8 OCCCS(O)(=O)=O Amb22002051 [1,1,0,0,0,0|1,0,1]=4 1691 B7R0.8 OCCCS(O)(=O)=O Amb22360758 [1,1,0,0,0,0|1,0,1]=4 1692 B7R0.8 OP(O)(=O)CCC=O Amb25350486 [1,1,0,0,0,0|1,0,0]=3 1693 B7R0.8 OP(O)(=O)CNC=O Amb24452772 [1,1,0,0,0,0|2,0,0]=4 1694 B7R0.8 OS(=O)(=O)CCC=O Amb25326186 [1,1,0,0,0,0|1,0,0]=3 1695 B7R0.9 CC(=O)CP(O)(O)=O Amb24706713 [0,1,0,0,1,0|2,0,0]=4 1696 B7R0.9 CC(=O)CS(O)(=O)=O Amb24751070 [0,1,0,0,1,0|2,0,0]=4 1697 B7R0.9 CP(C)(=O)CC(O)=O Amb25197683 [0,1,0,0,1,0|2,0,0]=4 1698 B7R0.9 NC(=O)CP(O)(O)=O Amb24481466 [0,1,0,0,1,0|2,0,0]=4 1699 B7R0.9 OC(=O)CC(O)(C)C Amb10605560 [0,1,0,0,1,0|1,0,1]=4 1700 B7R0.9 OC(=O)CS(=O)(=O)O Amb16232248 [0,1,0,0,1,0|1,0,0]=3 1701 B7R0.9 [O-]C(=O)C[As]([O-])(O)=O Amb21618903 [0,1,0,0,1,0|1,0,1]=4 1702 B7R0.16 BrC(C(=O)O)C(=O)O Amb17594708 [0,1,0,0,1,0|0,0,0]=2 1703 B7R0.16 C=C(Br)C(O)C(O)=O Amb24692957 [0,1,0,0,1,0|2,0,0]=4 1704 B7R0.16 C=C(Br)[C@H](N)C(O)=O Amb24383876 [0,1,0,0,1,0|2,0,0]=4 1705 B7R0.16 C=C(C(O)=O)C(O)=O Amb24481368 [0,1,0,0,1,0|0,0,1]=3 1706 B7R0.16 C=C(Cl)C(N)C(O)=O Amb18643039 [0,1,0,0,1,0|2,0,0]=4 1707 B7R0.16 C=C(F)C(N)C(O)=O Amb18641967 [0,1,0,0,1,0|2,0,0]=4 1708 B7R0.16 CC(=C)C(C)C(O)=O Amb18641781 [0,1,0,0,1,0|2,0,0]=4 1709 B7R0.16 CC(=C)C(N)C(O)=O Amb18641831 [0,1,0,0,1,0|2,0,0]=4 1710 B7R0.16 CC(=C)[C@@H](C)C(O)=O Amb25355239 [0,1,0,0,1,0|2,0,0]=4 1711 B7R0.16 CC(=O)C(=O)C(O)=O Amb24101563 [0,1,0,0,1,0|1,0,1]=4 1712 B7R0.16 CC(=O)C(Br)C(C)=O Amb22000680 [0,1,0,0,1,0|2,0,0]=4 1713 B7R0.16 CC(=O)C(Br)C(N)=O Amb24483263 [0,1,0,0,1,0|2,0,0]=4 1714 B7R0.16 CC(=O)C(C)C(=O)S Amb25094430 [0,1,0,0,1,0|1,1,0]=4 1715 B7R0.16 CC(=O)C(Cl)C(N)=O Amb24056422 [0,1,0,0,1,0|2,0,0]=4 1716 B7R0.16 CC(=O)C(F)C(C)=O Amb19889779 [0,1,0,0,1,0|2,0,0]=4 1717 B7R0.16 CC(=O)C(N)C(O)=O Amb21962887 [0,1,0,0,1,0|1,0,0]=3 1718 B7R0.16 CC(C(=C)Br)C(O)=O Amb24483212 [0,1,0,0,1,0|2,0,0]=4 1719 B7R0.16 CC(C(=O)C)C(=O)C Amb1152249 [0,1,0,0,1,0|2,0,0]=4 1720 B7R0.16 CC(C(=O)Cl)C(=O)Cl Amb22232260 [0,1,0,0,1,0|2,0,0]=4 1721 B7R0.16 CC(C(=O)N)C(=O)C Amb10552518 [0,1,0,0,1,0|2,0,0]=4 1722 B7R0.16 CC(C(=O)O)C(=O)C Amb10601660 [0,1,0,0,1,0|1,0,0]=3 1723 B7R0.16 CC(C(C(=O)O)Br)O Amb17594710 [0,1,0,0,1,0|1,0,1]=4 1724 B7R0.16 CC(C(C(=O)O)C)O Amb17615515 [0,1,0,0,1,0|1,0,1]=4 1725 B7R0.16 CC(C(C(=O)O)Cl)O Amb17593522 [0,1,0,0,1,0|1,0,1]=4 1726 B7R0.16 CC(C(N)=S)C(O)=O Amb24745670 [0,1,0,0,1,0|1,1,0]=4 1727 B7R0.16 CC(C(O)=O)N(C)O Amb24714002 [0,1,0,0,1,0|2,0,0]=4 1728 B7R0.16 CC(C(O)=O)S(C)=O Amb18950743 [0,1,0,0,1,0|2,0,0]=4 1729 B7R0.16 CC(C(O)=O)S(O)=O Amb25680146 [0,1,0,0,1,0|1,0,0]=3 1730 B7R0.16 CC(O)C(O)C(O)=O Amb18124272 [0,1,0,0,1,0|1,0,1]=4 1731 B7R0.16 CC(O)[C@@H](C)C(O)=O Amb25857406 [0,1,0,0,1,0|1,0,1]=4 1732 B7R0.16 C[C@@H](O)C(C)C(O)=O Amb24469914 [0,1,0,0,1,0|1,0,1]=4 1733 B7R0.16 C[C@@H](O)[13C@H](N)[13C](O)=O Amb22336905 [0,1,0,0,1,0|1,0,1]=4 1734 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O Amb24481394 [0,1,0,0,1,0|1,0,1]=4 1735 B7R0.16 C[C@@H](O)[C@H](F)C(O)=O Amb24470562 [0,1,0,0,1,0|1,0,1]=4 1736 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O Amb22351168 [0,1,0,0,1,0|1,0,1]=4 1737 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(O)=O Amb22353591 [0,1,0,0,1,0|1,0,1]=4 1738 B7R0.16 C[C@@H]([C@H](C(=O)O)C)O Amb10844569 [0,1,0,0,1,0|1,0,1]=4 1739 B7R0.16 C[C@H](O)C(N)C(O)=O Amb24377632 [0,1,0,0,1,0|1,0,1]=4 1740 B7R0.16 C[C@H](O)[C@@H](O)C(O)=O Amb25844932 [0,1,0,0,1,0|1,0,1]=4 1741 B7R0.16 C[C@H]([C@@H](C(=O)O)C)O Amb10844572 [0,1,0,0,1,0|1,0,1]=4 1742 B7R0.16 C[C@H]([C@@H]([13C](=O)O)N)O Amb17620634 [0,1,0,0,1,0|1,0,1]=4 1743 B7R0.16 C\C(\O)=C(\N)/C(O)=O Amb25320750 [0,1,0,0,1,0|1,0,1]=4 1744 B7R0.16 N=C(C(O)=O)C(O)=O Amb24334530 [0,1,0,0,1,0|0,0,1]=3 1745 B7R0.16 NC(=O)C(=O)C(O)=O Amb25344375 [0,1,0,0,1,0|1,0,1]=4 1746 B7R0.16 NC(=O)C(Br)C(N)=O Amb23504430 [0,1,0,0,1,0|2,0,0]=4 1747 B7R0.16 NC(=O)C(Cl)C(O)=O Amb25756168 [0,1,0,0,1,0|1,0,0]=3 1748 B7R0.16 NC(=O)C(F)C(O)=O Amb25376646 [0,1,0,0,1,0|1,0,0]=3 1749 B7R0.16 NC(=O)C(N)C(O)=O Amb24552728 [0,1,0,0,1,0|1,0,0]=3 1750 B7R0.16 NC(=O)C(O)C(O)=O Amb24548669 [0,1,0,0,1,0|1,0,0]=3 1751 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,1,0,0,1,0|0,0,0]=2 1752 B7R0.16 NC(C(O)=O)S(O)=O Amb24464759 [0,1,0,0,1,0|1,0,0]=3 1753 B7R0.16 NC(C(O)O)C(O)=O Amb25682498 [0,1,0,0,1,0|0,0,2]=4 1754 B7R0.16 O=C(Cl)C(Br)C(=O)Cl Amb24482983 [0,1,0,0,1,0|2,0,0]=4 1755 B7R0.16 OC(=O)C(=O)C(O)=O Amb18641943 [0,1,0,0,1,0|0,0,1]=3 1756 B7R0.16 OC(=O)C(=O)C(O)=O Amb22230802 [0,1,0,0,1,0|0,0,1]=3 1757 B7R0.16 OC(=O)C(=S)C(O)=O Amb24544781 [0,1,0,0,1,0|0,0,1]=3 1758 B7R0.16 OC(=O)C(Cl)C(O)=O Amb18643353 [0,1,0,0,1,0|0,0,0]=2 1759 B7R0.16 OC(=O)C(F)C(O)=O Amb24055884 [0,1,0,0,1,0|0,0,0]=2 1760 B7R0.16 OC(C(=O)O)C(=O)O Amb1215315 [0,1,0,0,1,0|0,0,0]=2 1761 B7R0.16 OC(C(O)=O)S(O)=O Amb24551214 [0,1,0,0,1,0|1,0,0]=3 1762 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](O)=O Amb22353590 [0,1,0,0,1,0|1,0,1]=4 1763 B7R0.16 [14CH3][14CH](O)[14CH](N)[14C](O)=O Amb22352529 [0,1,0,0,1,0|1,0,1]=4 1764 B9R0.1 C#CC(=O)CCCC(=O)Cl Amb24523161 [0,1,0,0,0,1|2,0,0]=4 1765 B9R0.1 C#CC(=O)NCCC(N)=O Amb25279631 [0,1,0,0,0,1|2,0,0]=4 1766 B9R0.1 C=CC(=O)NCCC([O-])=O Amb20668483 [0,1,0,0,0,1|1,0,1]=4 1767 B9R0.1 C=CC(=O)OCCC(O)=O Amb18644058 [0,1,0,0,0,1|1,0,0]=3 1768 B9R0.1 C=CC(O)CCCC(O)=O Amb25137244 [0,1,0,0,0,1|1,0,1]=4 1769 B9R0.1 C=CC(O)CSCC(O)=O Amb25092349 [0,1,0,0,0,1|1,0,1]=4 1770 B9R0.1 C=C[C@@H](O)CCCC(O)=O Amb24352126 [0,1,0,0,0,1|1,0,1]=4 1771 B9R0.1 C=C[C@H](O)CSCC(O)=O Amb24482220 [0,1,0,0,0,1|1,0,1]=4 1772 B9R0.1 CC(=C)CNCC(=O)OC Amb25139895 [0,1,0,0,0,1|2,0,0]=4 1773 B9R0.1 CC(=NO)SCCC(N)=O Amb25375755 [0,1,0,0,0,1|2,0,0]=4 1774 B9R0.1 CC(=O)CCCC(=O)CC Amb24093547 [0,1,0,0,0,1|2,0,0]=4 1775 B9R0.1 CC(=O)CCCC(=O)NC Amb25790088 [0,1,0,0,0,1|2,0,0]=4 1776 B9R0.1 CC(=O)CCOC(=O)CC Amb25318811 [0,1,0,0,0,1|2,0,0]=4 1777 B9R0.1 CC(=O)CCOC(=O)CCl Amb24480607 [0,1,0,0,0,1|2,0,0]=4 1778 B9R0.1 CC(=O)CCOC(=O)CO Amb24482823 [0,1,0,0,0,1|1,0,0]=3 1779 B9R0.1 CC(=O)CCOC(=O)CS Amb25286689 [0,1,0,0,0,1|1,1,0]=4 1780 B9R0.1 CC(=O)CC\C=C(/C)\C=O Amb18124577 [0,1,0,0,0,1|2,0,0]=4 1781 B9R0.1 CC(=O)CC\C=C(\Cl)/C=O Amb25742942 [0,1,0,0,0,1|2,0,0]=4 1782 B9R0.1 CC(=O)CSCC(=O)NC Amb25783382 [0,1,0,0,0,1|2,0,0]=4 1783 B9R0.1 CC(=O)C\C=C\C(=O)OC Amb24670506 [0,1,0,0,0,1|1,0,1]=4 1784 B9R0.1 CC(=O)NCCC(=O)CBr Amb24551664 [0,1,0,0,0,1|2,0,0]=4 1785 B9R0.1 CC(=O)NCCC(=O)NC Amb25793084 [0,1,0,0,0,1|2,0,0]=4 1786 B9R0.1 CC(=O)NCCC(=O)SC Amb25279099 [0,1,0,0,0,1|1,1,0]=4 1787 B9R0.1 CC(=O)OCCC(=C)C=O Amb18643822 [0,1,0,0,0,1|2,0,0]=4 1788 B9R0.1 CC(=O)OCCC(=O)C=C Amb24408459 [0,1,0,0,0,1|2,0,0]=4 1789 B9R0.1 CC(=O)OCCC(=O)CCl Amb25707775 [0,1,0,0,0,1|2,0,0]=4 1790 B9R0.1 CC(=O)OCNC(=O)OC Amb25147326 [0,1,0,0,0,1|2,0,0]=4 1791 B9R0.1 CC(=O)OCOC(=O)CO Amb25317635 [0,1,0,0,0,1|2,0,0]=4 1792 B9R0.1 CC(=O)SCCC(=O)CC Amb24633438 [0,1,0,0,0,1|2,0,0]=4 1793 B9R0.1 CC(=O)SCCC(=O)CCl Amb24436675 [0,1,0,0,0,1|2,0,0]=4 1794 B9R0.1 CC(=O)\C=C\CC(=O)OC Amb25205440 [0,1,0,0,0,1|1,0,1]=4 1795 B9R0.1 CC(=O)\C=N\CC(=O)OC Amb25094290 [0,1,0,0,0,1|1,0,1]=4 1796 B9R0.1 CC(C=O)=CNCC(O)=O Amb25255566 [0,1,0,0,0,1|1,0,1]=4 1797 B9R0.1 CC(CCCC(O)=O)CO Amb25068017 [0,1,0,0,0,1|1,0,1]=4 1798 B9R0.1 CC(CNCC(O)=O)=CCl Amb24482539 [0,1,0,0,0,1|2,0,0]=4 1799 B9R0.1 CC(CO)NCCC(O)=O Amb17719769 [0,1,0,0,0,1|1,0,1]=4 1800 B9R0.1 CC(COCC(O)=O)=CCl Amb24482508 [0,1,0,0,0,1|2,0,0]=4 1801 B9R0.1 CC(CSCC(N)=O)=NO Amb24450559 [0,1,0,0,0,1|2,0,0]=4 1802 B9R0.1 CC(O)CCNC(=O)CO Amb24482704 [0,1,0,0,0,1|1,0,1]=4 1803 B9R0.1 CC(O)COCC(=O)CO Amb24371356 [0,1,0,0,0,1|1,0,1]=4 1804 B9R0.1 CCC(=O)CSCC(N)=O Amb25229958 [0,1,0,0,0,1|2,0,0]=4 1805 B9R0.1 CCC(=O)NCCC(=O)C Amb17102869 [0,1,0,0,0,1|2,0,0]=4 1806 B9R0.1 CCC(=O)NCCC(=O)N Amb17231982 [0,1,0,0,0,1|2,0,0]=4 1807 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [0,1,0,0,0,1|1,0,0]=3 1808 B9R0.1 CCC(=O)OCCC(N)=O Amb24482884 [0,1,0,0,0,1|2,0,0]=4 1809 B9R0.1 CCC(O)CCCC(O)=O Amb18644263 [0,1,0,0,0,1|1,0,1]=4 1810 B9R0.1 CCC(O)COCC(O)=O Amb25805810 [0,1,0,0,0,1|1,0,1]=4 1811 B9R0.1 CCC(O)CSCC(O)=O Amb18792573 [0,1,0,0,0,1|1,0,1]=4 1812 B9R0.1 CCS(=O)CCCC(O)=O Amb18788302 [0,1,0,0,0,1|2,0,0]=4 1813 B9R0.1 CN(CCCC(O)=O)C=O Amb19010086 [0,1,0,0,0,1|2,0,0]=4 1814 B9R0.1 CNC(=O)CCCC(N)=O Amb24746424 [0,1,0,0,0,1|2,0,0]=4 1815 B9R0.1 CNC(=O)CCCC([O-])=O Amb24271120 [0,1,0,0,0,1|1,0,1]=4 1816 B9R0.1 CNC(=O)CCNC(N)=O Amb24361117 [0,1,0,0,0,1|2,0,0]=4 1817 B9R0.1 CNC(=O)COCC(=O)O Amb17232024 [0,1,0,0,0,1|1,0,0]=3 1818 B9R0.1 CNC(=O)NCCC(=O)O Amb1127025 [0,1,0,0,0,1|1,0,0]=3 1819 B9R0.1 CNC(=O)NCCC(N)=O Amb24421939 [0,1,0,0,0,1|2,0,0]=4 1820 B9R0.1 CNC(=O)SCCC(O)=O Amb25240640 [0,1,0,0,0,1|1,0,0]=3 1821 B9R0.1 CNC(=S)NCCC(O)=O Amb24482274 [0,1,0,0,0,1|1,1,0]=4 1822 B9R0.1 CNC(=S)SCCC(O)=O Amb25794447 [0,1,0,0,0,1|1,1,0]=4 1823 B9R0.1 COC(=O)C=C=CC(O)=O Amb25694013 [0,1,0,0,0,1|0,0,2]=4 1824 B9R0.1 COC(=O)CCCB(O)O Amb25676456 [0,1,0,0,0,1|1,0,1]=4 1825 B9R0.1 COC(=O)CCCC(=C)Br Amb24717516 [0,1,0,0,0,1|2,0,0]=4 1826 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [0,1,0,0,0,1|1,0,0]=3 1827 B9R0.1 COC(=O)CCCC(C)O Amb24414468 [0,1,0,0,0,1|1,0,1]=4 1828 B9R0.1 COC(=O)CCCC(N)=N Amb24410040 [0,1,0,0,0,1|2,0,0]=4 1829 B9R0.1 COC(=O)CCCC(N)=S Amb25360938 [0,1,0,0,0,1|1,1,0]=4 1830 B9R0.1 COC(=O)CCCS(C)=O Amb18788307 [0,1,0,0,0,1|2,0,0]=4 1831 B9R0.1 COC(=O)CCC[N+](=O)[O-] Amb1073683 [0,1,0,0,0,1|1,0,1]=4 1832 B9R0.1 COC(=O)CCNC(=O)C Amb15691935 [0,1,0,0,0,1|1,0,0]=3 1833 B9R0.1 COC(=O)CCNC(N)=N Amb24682015 [0,1,0,0,0,1|2,0,0]=4 1834 B9R0.1 COC(=O)CCNC(N)=O Amb22740124 [0,1,0,0,0,1|1,0,0]=3 1835 B9R0.1 COC(=O)CCNC(N)=S Amb18788132 [0,1,0,0,0,1|1,1,0]=4 1836 B9R0.1 COC(=O)CNCC(=C)Br Amb25214424 [0,1,0,0,0,1|2,0,0]=4 1837 B9R0.1 COC(=O)CNCC(=C)Cl Amb18800729 [0,1,0,0,0,1|2,0,0]=4 1838 B9R0.1 COC(=O)CNC[C@H](C)O Amb25773564 [0,1,0,0,0,1|1,0,1]=4 1839 B9R0.1 COC(=O)COCC(N)=O Amb25734268 [0,1,0,0,0,1|1,0,0]=3 1840 B9R0.1 COC(=O)COCC(O)=O Amb25305044 [0,1,0,0,0,1|0,0,0]=2 1841 B9R0.1 COC(=O)CONC(N)=O Amb25147372 [0,1,0,0,0,1|2,0,0]=4 1842 B9R0.1 COC(=O)CSCC(=C)Br Amb24445903 [0,1,0,0,0,1|2,0,0]=4 1843 B9R0.1 COC(=O)CSCC(=C)Cl Amb25168594 [0,1,0,0,0,1|2,0,0]=4 1844 B9R0.1 COC(=O)CSCC(=O)C Amb2444691 [0,1,0,0,0,1|1,0,0]=3 1845 B9R0.1 COC(=O)CSCC(C)O Amb18792574 [0,1,0,0,0,1|1,0,1]=4 1846 B9R0.1 COC(=O)CSCC(N)=O Amb18800701 [0,1,0,0,0,1|1,0,0]=3 1847 B9R0.1 COC(=O)CSC[C@@H](C)O Amb24375131 [0,1,0,0,0,1|1,0,1]=4 1848 B9R0.1 COC(=O)CSC[C@H](C)O Amb24375132 [0,1,0,0,0,1|1,0,1]=4 1849 B9R0.1 COC(=O)C\C=C\C(O)=O Amb25132100 [0,1,0,0,0,1|0,0,1]=3 1850 B9R0.1 COC(=O)NCCC(C)O Amb24747341 [0,1,0,0,0,1|1,0,1]=4 1851 B9R0.1 COC(=O)NCCC(N)=O Amb24459803 [0,1,0,0,0,1|1,0,0]=3 1852 B9R0.1 COC(=O)NCCC(N)=S Amb18182596 [0,1,0,0,0,1|1,1,0]=4 1853 B9R0.1 COC(=O)NCC[C@@H](C)O Amb24353280 [0,1,0,0,0,1|1,0,1]=4 1854 B9R0.1 COC(=O)NN=CC(O)=O Amb24427251 [0,1,0,0,0,1|1,0,1]=4 1855 B9R0.1 COC(=O)NNCC(O)=O Amb25317249 [0,1,0,0,0,1|1,0,0]=3 1856 B9R0.1 COC(=O)NOCC(N)=O Amb24721208 [0,1,0,0,0,1|2,0,0]=4 1857 B9R0.1 COC(=O)N\C=C/C(O)=O Amb25104759 [0,1,0,0,0,1|0,0,2]=4 1858 B9R0.1 COC(=O)N\C=C\C(O)=O Amb24550444 [0,1,0,0,0,1|0,0,2]=4 1859 B9R0.1 COC(=S)SCCC(N)=O Amb25172010 [0,1,0,0,0,1|1,1,0]=4 1860 B9R0.1 COC(C)CCCC(O)=O Amb25728362 [0,1,0,0,0,1|1,0,1]=4 1861 B9R0.1 COC(C)CNCC(O)=O Amb25695493 [0,1,0,0,0,1|1,0,1]=4 1862 B9R0.1 CO[13C](=O)CCC[13C](=O)O Amb17618084 [0,1,0,0,0,1|0,0,0]=2 1863 B9R0.1 CO[13C](=O)CCC[13C](=O)[13CH3] Amb17617715 [0,1,0,0,0,1|1,0,0]=3 1864 B9R0.1 CSC(=S)NCCC(O)=O Amb25708472 [0,1,0,0,0,1|0,2,0]=4 1865 B9R0.1 C[C@@H](O)CCNC(=O)CO Amb24570702 [0,1,0,0,0,1|1,0,1]=4 1866 B9R0.1 C[C@H](O)CCNC(=O)CO Amb25358407 [0,1,0,0,0,1|1,0,1]=4 1867 B9R0.1 C\C(=C\CCC(O)=O)\C=C Amb18643583 [0,1,0,0,0,1|2,0,0]=4 1868 B9R0.1 C\C(\C=O)=C/NCC(O)=O Amb25339921 [0,1,0,0,0,1|1,0,1]=4 1869 B9R0.1 C\C(\CCCC(O)=O)=C\C Amb25063828 [0,1,0,0,0,1|2,0,0]=4 1870 B9R0.1 C\C(\CNCC(O)=O)=C/C Amb24351586 [0,1,0,0,0,1|2,0,0]=4 1871 B9R0.1 C\C(\CNCC(O)=O)=C\C Amb25175094 [0,1,0,0,0,1|2,0,0]=4 1872 B9R0.1 C\C(\CO)=C\CCC(C)=O Amb24545611 [0,1,0,0,0,1|2,0,0]=4 1873 B9R0.1 C\C(\COCC(O)=O)=C\C Amb25293393 [0,1,0,0,0,1|2,0,0]=4 1874 B9R0.1 NC(=N)NCCC(=O)NO Amb24681572 [0,1,0,0,0,1|2,0,0]=4 1875 B9R0.1 NC(=O)CCNC(=O)CN Amb21929344 [0,1,0,0,0,1|2,0,0]=4 1876 B9R0.1 NC(=O)CCNC(=O)CO Amb25739339 [0,1,0,0,0,1|1,0,0]=3 1877 B9R0.1 NC(=O)CCSC(=O)CN Amb25824263 [0,1,0,0,0,1|2,0,0]=4 1878 B9R0.1 NC(=O)CSCC(=O)NN Amb24632664 [0,1,0,0,0,1|2,0,0]=4 1879 B9R0.1 NC(=O)NCCC(=O)NO Amb25796572 [0,1,0,0,0,1|1,0,0]=3 1880 B9R0.1 NC(=O)SCCC(=O)NN Amb24707302 [0,1,0,0,0,1|2,0,0]=4 1881 B9R0.1 NC(CCCC(O)=O)=NO Amb24383149 [0,1,0,0,0,1|1,0,0]=3 1882 B9R0.1 NC(CCCC(O)=O)C=O Amb25075707 [0,1,0,0,0,1|1,0,1]=4 1883 B9R0.1 NC(CCNC(N)=O)=NO Amb25838843 [0,1,0,0,0,1|2,0,0]=4 1884 B9R0.1 NC(CSCC(N)=O)=NO Amb24718708 [0,1,0,0,0,1|2,0,0]=4 1885 B9R0.1 NC(NCCC(N)=O)=NO Amb24425915 [0,1,0,0,0,1|2,0,0]=4 1886 B9R0.1 NCC(=O)CCCC(O)=O Amb18202122 [0,1,0,0,0,1|1,0,0]=3 1887 B9R0.1 NCC(=O)CCCC(O)=O Amb22035333 [0,1,0,0,0,1|1,0,0]=3 1888 B9R0.1 NCC(=O)NNCC(O)=O Amb25142422 [0,1,0,0,0,1|2,0,0]=4 1889 B9R0.1 NNC(=N)SCCC(O)=O Amb24502294 [0,1,0,0,0,1|2,0,0]=4 1890 B9R0.1 NNC(=O)CCCC(O)=O Amb25809648 [0,1,0,0,0,1|1,0,0]=3 1891 B9R0.1 NNC(=O)COCC(O)=O Amb25133545 [0,1,0,0,0,1|1,0,0]=3 1892 B9R0.1 NNC(=O)SCCC(O)=O Amb24482179 [0,1,0,0,0,1|1,0,0]=3 1893 B9R0.1 N\C(\CSCC(O)=O)=C/N Amb24069132 [0,1,0,0,0,1|2,0,0]=4 1894 B9R0.1 N\C(\NCCC(O)=O)=N/N Amb24682101 [0,1,0,0,0,1|2,0,0]=4 1895 B9R0.1 O=NN(CCCC(=O)O)C Amb17618588 [0,1,0,0,0,1|2,0,0]=4 1896 B9R0.1 OC(=O)CCCN(O)C=O Amb25320259 [0,1,0,0,0,1|1,0,0]=3 1897 B9R0.1 OC(=O)CCNC(=O)CBr Amb17609911 [0,1,0,0,0,1|1,0,0]=3 1898 B9R0.1 OC(=O)CCNC(=O)CO Amb24478846 [0,1,0,0,0,1|0,0,0]=2 1899 B9R0.1 OC(=O)CCNC(=O)CS Amb24754483 [0,1,0,0,0,1|0,1,0]=3 1900 B9R0.1 OC(=O)CNCC(S)C=O Amb24482295 [0,1,0,0,0,1|0,1,1]=4 1901 B9R0.1 OC(=O)CN\C=C(/O)\C=O Amb25147598 [0,1,0,0,0,1|0,0,1]=3 1902 B9R0.1 OC(=O)COCC(Cl)=CCl Amb25146950 [0,1,0,0,0,1|2,0,0]=4 1903 B9R0.1 OC(=O)CONC(=O)CCl Amb25825072 [0,1,0,0,0,1|2,0,0]=4 1904 B9R0.1 OC(=O)CSCC(Cl)=CCl Amb24658465 [0,1,0,0,0,1|2,0,0]=4 1905 B9R0.1 OCC(O)CNCC(O)=O Amb24360971 [0,1,0,0,0,1|0,0,2]=4 1906 B9R0.1 OCC(O)COCC(O)=O Amb24534716 [0,1,0,0,0,1|0,0,2]=4 1907 B9R0.7 C=C(NCC(O)=O)C(O)=O Amb24350752 [0,1,0,0,0,1|0,0,1]=3 1908 B9R0.7 CC(=C)CCC(C)C(O)=O Amb25809141 [0,1,0,0,0,1|2,0,0]=4 1909 B9R0.7 CC(=C)CC[C@@H](C)C(O)=O Amb25685103 [0,1,0,0,0,1|2,0,0]=4 1910 B9R0.7 CC(=C)CC[C@@H](N)C(O)=O Amb25775219 [0,1,0,0,0,1|2,0,0]=4 1911 B9R0.7 CC(=C)COC(C)C(O)=O Amb24549744 [0,1,0,0,0,1|2,0,0]=4 1912 B9R0.7 CC(=C)CO[C@@H](C)C(O)=O Amb24505175 [0,1,0,0,0,1|2,0,0]=4 1913 B9R0.7 CC(=C)CO[C@H](C)C(O)=O Amb25772492 [0,1,0,0,0,1|2,0,0]=4 1914 B9R0.7 CC(=N)SCC(Cl)C(O)=O Amb18648569 [0,1,0,0,0,1|2,0,0]=4 1915 B9R0.7 CC(=O)C(=O)CCC(O)=O Amb24359327 [0,1,0,0,0,1|1,0,0]=3 1916 B9R0.7 CC(=O)C(Br)CCC(O)=O Amb25733508 [0,1,0,0,0,1|1,0,0]=3 1917 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,1,0,0,0,1|2,0,0]=4 1918 B9R0.7 CC(=O)C(C)CNC(C)=O Amb24072033 [0,1,0,0,0,1|2,0,0]=4 1919 B9R0.7 CC(=O)C(C)SCC(C)=O Amb24482830 [0,1,0,0,0,1|2,0,0]=4 1920 B9R0.7 CC(=O)C(Cl)CCC(=O)Cl Amb24373858 [0,1,0,0,0,1|2,0,0]=4 1921 B9R0.7 CC(=O)C(F)COC(C)=O Amb25319947 [0,1,0,0,0,1|2,0,0]=4 1922 B9R0.7 CC(=O)C(N)CCC(N)=O Amb25231237 [0,1,0,0,0,1|2,0,0]=4 1923 B9R0.7 CC(=O)CCC(=C)C(C)=O Amb25303019 [0,1,0,0,0,1|2,0,0]=4 1924 B9R0.7 CC(=O)CCC(=O)C(C)=O Amb25852390 [0,1,0,0,0,1|2,0,0]=4 1925 B9R0.7 CC(=O)CCC(C)C(C)=O Amb25146789 [0,1,0,0,0,1|2,0,0]=4 1926 B9R0.7 CC(=O)CCC(C)C(O)=O Amb18644099 [0,1,0,0,0,1|1,0,0]=3 1927 B9R0.7 CC(=O)CCC(F)C(C)=O Amb25369738 [0,1,0,0,0,1|2,0,0]=4 1928 B9R0.7 CC(=O)CCC(N)C(O)=O Amb20669473 [0,1,0,0,0,1|1,0,0]=3 1929 B9R0.7 CC(=O)CCC(N)C(O)=O Amb22157242 [0,1,0,0,0,1|1,0,0]=3 1930 B9R0.7 CC(=O)CCN(C)C(C)=O Amb24352049 [0,1,0,0,0,1|2,0,0]=4 1931 B9R0.7 CC(=O)CC[C@@H](N)C(O)=O Amb19130479 [0,1,0,0,0,1|1,0,0]=3 1932 B9R0.7 CC(=O)CC[C@H](C)C(C)=O Amb25692099 [0,1,0,0,0,1|2,0,0]=4 1933 B9R0.7 CC(=O)CC[C@H](N)C(O)=O Amb25147501 [0,1,0,0,0,1|1,0,0]=3 1934 B9R0.7 CC(=O)CNC(=O)C(O)=O Amb24480846 [0,1,0,0,0,1|1,0,1]=4 1935 B9R0.7 CC(=O)CSC(C(=O)O)C Amb17501621 [0,1,0,0,0,1|1,0,0]=3 1936 B9R0.7 CC(=O)N(C)CCC(N)=O Amb25688630 [0,1,0,0,0,1|2,0,0]=4 1937 B9R0.7 CC(=O)NCC(C)C(O)=O Amb18300085 [0,1,0,0,0,1|1,0,0]=3 1938 B9R0.7 CC(=O)NCC(F)C(O)=O Amb25356174 [0,1,0,0,0,1|1,0,0]=3 1939 B9R0.7 CC(=O)NCC(O)C(O)=O Amb25374579 [0,1,0,0,0,1|1,0,0]=3 1940 B9R0.7 CC(=O)NC[C@H](N)C(O)=O Amb25772091 [0,1,0,0,0,1|1,0,0]=3 1941 B9R0.7 CC(=O)NC[C@H](O)C(O)=O Amb24480830 [0,1,0,0,0,1|1,0,0]=3 1942 B9R0.7 CC(=O)NNC(C)C(O)=O Amb24679763 [0,1,0,0,0,1|2,0,0]=4 1943 B9R0.7 CC(=O)NN[C@@H](C)C(O)=O Amb24068257 [0,1,0,0,0,1|2,0,0]=4 1944 B9R0.7 CC(=O)OCC(=O)C(O)=O Amb24350556 [0,1,0,0,0,1|1,0,1]=4 1945 B9R0.7 CC(=O)OCC(C(=O)O)N Amb17593668 [0,1,0,0,0,1|1,0,0]=3 1946 B9R0.7 CC(=O)OCC(C)C(N)=O Amb24356443 [0,1,0,0,0,1|2,0,0]=4 1947 B9R0.7 CC(=O)OCC(Cl)C(=O)Cl Amb24692678 [0,1,0,0,0,1|2,0,0]=4 1948 B9R0.7 CC(=O)OCC(Cl)C(O)=O Amb24425506 [0,1,0,0,0,1|1,0,0]=3 1949 B9R0.7 CC(=O)OC[C@@H](C)C(O)=O Amb25187888 [0,1,0,0,0,1|1,0,0]=3 1950 B9R0.7 CC(=O)OC[C@@H](N)C(O)=O Amb22756697 [0,1,0,0,0,1|1,0,0]=3 1951 B9R0.7 CC(=O)OC[C@H](C)C(N)=O Amb25147342 [0,1,0,0,0,1|2,0,0]=4 1952 B9R0.7 CC(=O)ON[C@@H](C)C(O)=O Amb25096728 [0,1,0,0,0,1|2,0,0]=4 1953 B9R0.7 CC(=O)SCC(=C)C(O)=O Amb24482306 [0,1,0,0,0,1|1,0,1]=4 1954 B9R0.7 CC(=O)SCC(C(=O)Cl)C Amb16232721 [0,1,0,0,0,1|2,0,0]=4 1955 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [0,1,0,0,0,1|2,0,0]=4 1956 B9R0.7 CC(=O)SCC(Cl)C(O)=O Amb24423824 [0,1,0,0,0,1|1,0,0]=3 1957 B9R0.7 CC(=O)SCC(N)C(O)=O Amb22490452 [0,1,0,0,0,1|1,0,0]=3 1958 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N Amb16185419 [0,1,0,0,0,1|1,0,0]=3 1959 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [0,1,0,0,0,1|2,0,0]=4 1960 B9R0.7 CC(=O)[C@@H](C)CCC(O)=O Amb25333003 [0,1,0,0,0,1|1,0,0]=3 1961 B9R0.7 CC(=O)[C@@H](N)CCC(N)=O Amb25142080 [0,1,0,0,0,1|2,0,0]=4 1962 B9R0.7 CC(=O)[C@@H](N)CCC(O)=O Amb24386065 [0,1,0,0,0,1|1,0,0]=3 1963 B9R0.7 CC(=O)[C@H](C)CCC(O)=O Amb24671283 [0,1,0,0,0,1|1,0,0]=3 1964 B9R0.7 CC(=O)[C@H](C)COC(C)=O Amb24457434 [0,1,0,0,0,1|2,0,0]=4 1965 B9R0.7 CC(C)=C(C)CCC(O)=O Amb24505016 [0,1,0,0,0,1|2,0,0]=4 1966 B9R0.7 CC(C)=CCC(C)C(O)=O Amb18643879 [0,1,0,0,0,1|2,0,0]=4 1967 B9R0.7 CC(C)=CCC(F)C(O)=O Amb24480809 [0,1,0,0,0,1|2,0,0]=4 1968 B9R0.7 CC(C)=CC[C@@H](C)C(O)=O Amb24698988 [0,1,0,0,0,1|2,0,0]=4 1969 B9R0.7 CC(C)=CC[C@H](N)C(O)=O Amb25836895 [0,1,0,0,0,1|2,0,0]=4 1970 B9R0.7 CC(CCC(O)=O)[N+]([O-])=O Amb25221792 [0,1,0,0,0,1|1,0,1]=4 1971 B9R0.7 CC(CNC(N)=O)C(O)=O Amb18298054 [0,1,0,0,0,1|1,0,0]=3 1972 B9R0.7 CC(CSC(N)=S)C(O)=O Amb24509733 [0,1,0,0,0,1|1,1,0]=4 1973 B9R0.7 CC(Cl)=CCC(N)C(O)=O Amb25326840 [0,1,0,0,0,1|2,0,0]=4 1974 B9R0.7 CC(Cl)=CC[C@H](N)C(O)=O Amb24518555 [0,1,0,0,0,1|2,0,0]=4 1975 B9R0.7 CC(F)=CCC(N)C(O)=O Amb24354283 [0,1,0,0,0,1|2,0,0]=4 1976 B9R0.7 CC(N=CC(O)=O)C(O)=O Amb24446584 [0,1,0,0,0,1|0,0,1]=3 1977 B9R0.7 CC(NCC(=C)Br)C(O)=O Amb18303282 [0,1,0,0,0,1|2,0,0]=4 1978 B9R0.7 CC(O)C(=O)CCC(O)=O Amb25825263 [0,1,0,0,0,1|1,0,1]=4 1979 B9R0.7 CC(O)C(C)OCC(O)=O Amb25185257 [0,1,0,0,0,1|1,0,1]=4 1980 B9R0.7 CC(O)C(O)CCC(O)=O Amb25054706 [0,1,0,0,0,1|1,0,1]=4 1981 B9R0.7 CC(O)CCC(=C)C(O)=O Amb24375911 [0,1,0,0,0,1|1,0,1]=4 1982 B9R0.7 CC(O)CCC(C)C(O)=O Amb25848509 [0,1,0,0,0,1|1,0,1]=4 1983 B9R0.7 CC(O)CNC(C)C(O)=O Amb18523859 [0,1,0,0,0,1|1,0,1]=4 1984 B9R0.7 CC(O)CN[C@@H](C)C(O)=O Amb25129862 [0,1,0,0,0,1|1,0,1]=4 1985 B9R0.7 CC(O)COC(C)C(O)=O Amb25146942 [0,1,0,0,0,1|1,0,1]=4 1986 B9R0.7 CC(O)CSC(C)C(O)=O Amb18303285 [0,1,0,0,0,1|1,0,1]=4 1987 B9R0.7 CC(O)NC[C@H](N)C(O)=O Amb24575047 [0,1,0,0,0,1|1,0,1]=4 1988 B9R0.7 CC(OCC(N)=O)C(N)=O Amb25727276 [0,1,0,0,0,1|2,0,0]=4 1989 B9R0.7 CC(OCC(N)=O)C(O)=O Amb24660109 [0,1,0,0,0,1|1,0,0]=3 1990 B9R0.7 CC(OCC(O)=O)C(O)=O Amb25292152 [0,1,0,0,0,1|0,0,0]=2 1991 B9R0.7 CC(SCC(=C)Br)C(O)=O Amb19005210 [0,1,0,0,0,1|2,0,0]=4 1992 B9R0.7 CC(\C=C\C(N)=O)C(O)=O Amb25174967 [0,1,0,0,0,1|1,0,1]=4 1993 B9R0.7 CC(\C=C\C(O)=O)C(O)=O Amb24409525 [0,1,0,0,0,1|0,0,1]=3 1994 B9R0.7 CN(CCC(O)=O)C(N)=O Amb18984979 [0,1,0,0,0,1|1,0,0]=3 1995 B9R0.7 CN(CCC(O)=O)C([S-])=S Amb24486141 [0,1,0,0,0,1|0,2,0]=4 1996 B9R0.7 CN(CCC(O)=O)[N+]([O-])=O Amb23481534 [0,1,0,0,0,1|1,0,1]=4 1997 B9R0.7 CP(=O)OCC(N)C(O)=O Amb24724745 [0,1,0,0,0,1|2,0,0]=4 1998 B9R0.7 CP(=O)OC[C@H](N)C(O)=O Amb25362185 [0,1,0,0,0,1|2,0,0]=4 1999 B9R0.7 CP(O)CCC(N)C(O)=O Amb25295427 [0,1,0,0,0,1|2,0,0]=4 2000 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O Amb19133021 [0,1,0,0,0,1|2,0,0]=4 2001 B9R0.7 CS(=O)NCC(O)C(O)=O Amb25177159 [0,1,0,0,0,1|2,0,0]=4 2002 B9R0.7 CS(=O)NC[C@H](N)C(O)=O Amb25798536 [0,1,0,0,0,1|2,0,0]=4 2003 B9R0.7 C[C@@H](CCC(O)=O)C(O)=O Amb22799543 [0,1,0,0,0,1|0,0,0]=2 2004 B9R0.7 C[C@@H](CC[N+]([O-])=O)C(O)=O Amb24330210 [0,1,0,0,0,1|1,0,1]=4 2005 B9R0.7 C[C@@H](NCC(=C)Br)C(O)=O Amb24441867 [0,1,0,0,0,1|2,0,0]=4 2006 B9R0.7 C[C@@H](NCC(=C)Cl)C(O)=O Amb25085078 [0,1,0,0,0,1|2,0,0]=4 2007 B9R0.7 C[C@@H](NCC(N)=O)C(O)=O Amb25849548 [0,1,0,0,0,1|1,0,0]=3 2008 B9R0.7 C[C@@H](NCC(O)=O)C(O)=O Amb22748947 [0,1,0,0,0,1|0,0,0]=2 2009 B9R0.7 C[C@@H](O)[C@H](C)SCC(O)=O Amb25774489 [0,1,0,0,0,1|1,0,1]=4 2010 B9R0.7 C[C@@H](OCC(=C)Br)C(O)=O Amb25061755 [0,1,0,0,0,1|2,0,0]=4 2011 B9R0.7 C[C@@H](OCC(=C)Cl)C(O)=O Amb25146946 [0,1,0,0,0,1|2,0,0]=4 2012 B9R0.7 C[C@@H](SCC(O)=O)C(O)=O Amb24482305 [0,1,0,0,0,1|0,0,0]=2 2013 B9R0.7 C[C@H](CCC(O)=O)C(O)=O Amb22225175 [0,1,0,0,0,1|0,0,0]=2 2014 B9R0.7 C[C@H](NCC(=C)Cl)C(O)=O Amb25135747 [0,1,0,0,0,1|2,0,0]=4 2015 B9R0.7 C[C@H](NCC(N)=O)C(O)=O Amb24753576 [0,1,0,0,0,1|1,0,0]=3 2016 B9R0.7 C[C@H](NCC(O)=O)C(O)=O Amb25133540 [0,1,0,0,0,1|0,0,0]=2 2017 B9R0.7 C[C@H](O)CC[C@@H](C)C(O)=O Amb25378744 [0,1,0,0,0,1|1,0,1]=4 2018 B9R0.7 C[C@H](O)[C@H](C)CCC(O)=O Amb25340448 [0,1,0,0,0,1|1,0,1]=4 2019 B9R0.7 C[C@H](OCC(=C)Br)C(O)=O Amb24471685 [0,1,0,0,0,1|2,0,0]=4 2020 B9R0.7 C[C@H](OCC(=C)Cl)C(O)=O Amb25146948 [0,1,0,0,0,1|2,0,0]=4 2021 B9R0.7 C[C@H](OCC(O)=O)C(O)=O Amb24393806 [0,1,0,0,0,1|0,0,0]=2 2022 B9R0.7 C\C(=C\CC(C(=O)O)Cl)\Cl Amb17594711 [0,1,0,0,0,1|2,0,0]=4 2023 B9R0.7 C\C(\Cl)=C\CC(C)C(O)=O Amb18126350 [0,1,0,0,0,1|2,0,0]=4 2024 B9R0.7 C\C(\Cl)=C\CC(N)C(O)=O Amb24692752 [0,1,0,0,0,1|2,0,0]=4 2025 B9R0.7 C\C(\Cl)=C\C[C@H](N)C(O)=O Amb24629700 [0,1,0,0,0,1|2,0,0]=4 2026 B9R0.7 N=C(CCC(O)=O)C(O)=O Amb25064299 [0,1,0,0,0,1|0,0,0]=2 2027 B9R0.7 NC(=N)NCC(N)C(O)=O Amb22169574 [0,1,0,0,0,1|2,0,0]=4 2028 B9R0.7 NC(=N)NC[C@@H](C(=O)O)N Amb16232025 [0,1,0,0,0,1|2,0,0]=4 2029 B9R0.7 NC(=N)NC[C@H](O)C(O)=O Amb25126652 [0,1,0,0,0,1|2,0,0]=4 2030 B9R0.7 NC(=N)SCC(Br)C(O)=O Amb24648298 [0,1,0,0,0,1|2,0,0]=4 2031 B9R0.7 NC(=N)SCC(Cl)C(O)=O Amb25258351 [0,1,0,0,0,1|2,0,0]=4 2032 B9R0.7 NC(=O)C(=O)CCC(O)=O Amb25279394 [0,1,0,0,0,1|1,0,0]=3 2033 B9R0.7 NC(=O)C(N)CCC(O)=O Amb18644256 [0,1,0,0,0,1|1,0,0]=3 2034 B9R0.7 NC(=O)CCC(F)C(O)=O Amb24745286 [0,1,0,0,0,1|1,0,0]=3 2035 B9R0.7 NC(=O)CCC(O)C(O)=O Amb25275311 [0,1,0,0,0,1|1,0,0]=3 2036 B9R0.7 NC(=O)CC[13C@H](N)[13C](O)=O Amb22338972 [0,1,0,0,0,1|1,0,0]=3 2037 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,1,0,0,0,1|2,0,0]=4 2038 B9R0.7 NC(=O)CC[C@H](Br)C(O)=O Amb25223377 [0,1,0,0,0,1|1,0,0]=3 2039 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,1,0,0,0,1|2,0,0]=4 2040 B9R0.7 NC(=O)CC[C@H](O)C(N)=O Amb24480731 [0,1,0,0,0,1|2,0,0]=4 2041 B9R0.7 NC(=O)NCC(C(=O)O)F Amb17610485 [0,1,0,0,0,1|1,0,0]=3 2042 B9R0.7 NC(=O)NC[C@@H](C(=O)O)C Amb10844047 [0,1,0,0,0,1|1,0,0]=3 2043 B9R0.7 NC(=O)NC[C@@H](F)C(O)=O Amb24389552 [0,1,0,0,0,1|1,0,0]=3 2044 B9R0.7 NC(=O)NC[C@H](C(=O)O)N Amb10068479 [0,1,0,0,0,1|1,0,0]=3 2045 B9R0.7 NC(=O)N[13CH2][13CH]([13C](=O)O)F Amb17610486 [0,1,0,0,0,1|1,0,0]=3 2046 B9R0.7 NC(=O)SC[C@H](C(=O)O)N Amb10072293 [0,1,0,0,0,1|1,0,0]=3 2047 B9R0.7 NC(=O)SC[C@H](N)C(O)=O Amb22735296 [0,1,0,0,0,1|1,0,0]=3 2048 B9R0.7 NC(=O)[C@@H](N)CCC(O)=O Amb22745051 [0,1,0,0,0,1|1,0,0]=3 2049 B9R0.7 NC(=O)[C@@H](N)CNC(N)=O Amb25147441 [0,1,0,0,0,1|2,0,0]=4 2050 B9R0.7 NC(=O)[C@H](N)CCC(O)=O Amb24557281 [0,1,0,0,0,1|1,0,0]=3 2051 B9R0.7 NC(=O)[C@H](N)CNC(N)=O Amb24548243 [0,1,0,0,0,1|2,0,0]=4 2052 B9R0.7 NC(=S)CSC(C(=O)O)C Amb17503393 [0,1,0,0,0,1|1,1,0]=4 2053 B9R0.7 NC(=[NH2+])SCC(Cl)C(O)=O Amb22054310 [0,1,0,0,0,1|2,0,0]=4 2054 B9R0.7 NC(CCB(O)O)C(O)=O Amb22497480 [0,1,0,0,0,1|1,0,1]=4 2055 B9R0.7 NC(CCC(=O)Br)C(O)=O Amb25224344 [0,1,0,0,0,1|1,0,0]=3 2056 B9R0.7 NC(CCC(=O)Cl)C(=O)Cl Amb25101509 [0,1,0,0,0,1|2,0,0]=4 2057 B9R0.7 NC(CCC(O)=O)C(=O)[Na] Amb24375221 [0,1,0,0,0,1|1,0,0]=3 2058 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [0,1,0,0,0,1|0,0,0]=2 2059 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [0,1,0,0,0,1|0,0,0]=2 2060 B9R0.7 NC(CCC(O)=O)P(O)=O Amb24340498 [0,1,0,0,0,1|1,0,0]=3 2061 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [0,1,0,0,0,1|0,0,0]=2 2062 B9R0.7 NC(CCC(O)=S)C(O)=O Amb25039924 [0,1,0,0,0,1|0,1,0]=3 2063 B9R0.7 NC(CCC([O-])=O)C([O-])=O Amb22369354 [0,1,0,0,0,1|0,0,2]=4 2064 B9R0.7 NC(CCP(O)=O)C(O)=O Amb25276313 [0,1,0,0,0,1|1,0,0]=3 2065 B9R0.7 NC(CCS(O)=O)C(O)=O Amb22349645 [0,1,0,0,0,1|1,0,0]=3 2066 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [0,1,0,0,0,1|0,0,0]=2 2067 B9R0.7 NC(COS(=O)F)C(O)=O Amb24681444 [0,1,0,0,0,1|2,0,0]=4 2068 B9R0.7 N[13C](=O)CC[C@@H](C(=O)O)N Amb17614783 [0,1,0,0,0,1|1,0,0]=3 2069 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](O)=O Amb22367371 [0,1,0,0,0,1|1,0,0]=3 2070 B9R0.7 N[C@@H](CC=C(F)F)C(O)=O Amb25844566 [0,1,0,0,0,1|2,0,0]=4 2071 B9R0.7 N[C@@H](CC=S(=O)=O)C(O)=O Amb24390366 [0,1,0,0,0,1|1,0,1]=4 2072 B9R0.7 N[C@@H](CCC(=O)Br)C(O)=O Amb25123825 [0,1,0,0,0,1|1,0,0]=3 2073 B9R0.7 N[C@@H](CCC(=O)Cl)C(=O)Cl Amb25138653 [0,1,0,0,0,1|2,0,0]=4 2074 B9R0.7 N[C@@H](CCC(=O)Cl)C(O)=O Amb25065344 [0,1,0,0,0,1|1,0,0]=3 2075 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O Amb22745619 [0,1,0,0,0,1|0,0,1]=3 2076 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [0,1,0,0,0,1|0,0,0]=2 2077 B9R0.7 N[C@@H](CCC(O)=S)C(O)=O Amb24480492 [0,1,0,0,0,1|0,1,0]=3 2078 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22338524 [0,1,0,0,0,1|0,0,1]=3 2079 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22350063 [0,1,0,0,0,1|0,0,1]=3 2080 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22800016 [0,1,0,0,0,1|0,0,1]=3 2081 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22801488 [0,1,0,0,0,1|0,0,1]=3 2082 B9R0.7 N[C@@H](CCC([O-])=O)C([O-])=O Amb22799952 [0,1,0,0,0,1|0,0,2]=4 2083 B9R0.7 N[C@@H](CCP(O)=O)C(O)=O Amb22904307 [0,1,0,0,0,1|1,0,0]=3 2084 B9R0.7 N[C@@H](CC[N+]([O-])=O)C(O)=O Amb25227987 [0,1,0,0,0,1|1,0,1]=4 2085 B9R0.7 N[C@@H](CN[N+]([O-])=O)C(O)=O Amb24704075 [0,1,0,0,0,1|1,0,1]=4 2086 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [0,1,0,0,0,1|0,0,0]=2 2087 B9R0.7 N[C@H](CCS(O)=O)C(O)=O Amb24099404 [0,1,0,0,0,1|1,0,0]=3 2088 B9R0.7 O=C(Cl)CCC(Cl)C(=O)Cl Amb25759080 [0,1,0,0,0,1|2,0,0]=4 2089 B9R0.7 OC(=O)C(=S)NCC(O)=O Amb24423880 [0,1,0,0,0,1|0,0,1]=3 2090 B9R0.7 OC(=O)C(Cl)SCC(O)=O Amb24390363 [0,1,0,0,0,1|0,0,0]=2 2091 B9R0.7 OC(=O)C(O)SCC(O)=O Amb24524554 [0,1,0,0,0,1|0,0,0]=2 2092 B9R0.7 OC(=O)C=C=C(C(=O)O)C Amb17593578 [0,1,0,0,0,1|0,0,2]=4 2093 B9R0.7 OC(=O)CCC(=O)C(=O)O Amb1154117 [0,1,0,0,0,1|0,0,0]=2 2094 B9R0.7 OC(=O)CCC(=O)C(=O)[O-] Amb10072616 [0,1,0,0,0,1|0,0,1]=3 2095 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22349893 [0,1,0,0,0,1|0,0,0]=2 2096 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22350267 [0,1,0,0,0,1|0,0,0]=2 2097 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22746233 [0,1,0,0,0,1|0,0,0]=2 2098 B9R0.7 OC(=O)CCC(=O)[13C](O)=O Amb22055609 [0,1,0,0,0,1|0,0,0]=2 2099 B9R0.7 OC(=O)CCC(C(=O)O)Cl Amb17594149 [0,1,0,0,0,1|0,0,0]=2 2100 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [0,1,0,0,0,1|0,0,0]=2 2101 B9R0.7 OC(=O)CCC(F)C(O)=O Amb25708515 [0,1,0,0,0,1|0,0,0]=2 2102 B9R0.7 OC(=O)CCC(O)C(O)=O Amb18124864 [0,1,0,0,0,1|0,0,0]=2 2103 B9R0.7 OC(=O)CC[C@@H](O)C(O)=O Amb22799690 [0,1,0,0,0,1|0,0,0]=2 2104 B9R0.7 OC(=O)CNC(=O)C(=O)C Amb17593639 [0,1,0,0,0,1|1,0,1]=4 2105 B9R0.7 OC(=O)CNC(=O)C(=O)O Amb2447304 [0,1,0,0,0,1|0,0,1]=3 2106 B9R0.7 OC(=O)CSC(C(=O)O)C Amb2431034 [0,1,0,0,0,1|0,0,0]=2 2107 B9R0.7 OC(=O)\C(\Br)=C/CC(O)=O Amb25364176 [0,1,0,0,0,1|0,0,1]=3 2108 B9R0.7 OC(=O)\C=C/C(O)C(O)=O Amb25757882 [0,1,0,0,0,1|0,0,1]=3 2109 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)N Amb17614782 [0,1,0,0,0,1|1,0,0]=3 2110 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(O)=O Amb22338766 [0,1,0,0,0,1|1,0,0]=3 2111 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [0,1,0,0,0,1|0,0,0]=2 2112 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [0,1,0,0,0,1|0,0,0]=2 2113 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](O)=O Amb22353586 [0,1,0,0,0,1|1,0,0]=3 2114 B9R0.7 [O-]C(=O)C(=O)CCC(O)=O Amb22166891 [0,1,0,0,0,1|0,0,1]=3 2115 B9R0.7 [O-]C(=O)CCC(=O)C(=O)[O-] Amb10072211 [0,1,0,0,0,1|0,0,2]=4 2116 B9R0.7 [O-]C(=O)CCC(=O)C(O)=O Amb22231405 [0,1,0,0,0,1|0,0,1]=3 2117 B9R0.7 [O-]C(=O)CCC(O)C([O-])=O Amb22055443 [0,1,0,0,0,1|0,0,2]=4 2118 B9R0.7 [O-]C(=O)CC[C@@H](C(=O)[O-])O Amb17615400 [0,1,0,0,0,1|0,0,2]=4 2119 B9R0.7 [O-]C(=O)CC[C@H](C(=O)[O-])O Amb17615399 [0,1,0,0,0,1|0,0,2]=4 2120 B9R0.7 [O-][N+](=O)CC[C@H](C(=O)O)C Amb13883662 [0,1,0,0,0,1|1,0,1]=4 2121 B9R0.53 C=C(CC(O)=O)CC(O)=O Amb18644057 [0,1,0,0,0,1|0,0,0]=2 2122 B9R0.53 CC(=C)CC(C)CC(O)=O Amb18643943 [0,1,0,0,0,1|2,0,0]=4 2123 B9R0.53 CC(=O)CC(=O)CC(=O)Cl Amb24662270 [0,1,0,0,0,1|2,0,0]=4 2124 B9R0.53 CC(=O)CC(=O)CC(O)=O Amb18644062 [0,1,0,0,0,1|1,0,0]=3 2125 B9R0.53 CC(=O)CC(C)CC(O)=O Amb18644106 [0,1,0,0,0,1|1,0,0]=3 2126 B9R0.53 CC(=O)CS(=O)CC(N)=O Amb24716709 [0,1,0,0,0,1|2,0,0]=4 2127 B9R0.53 CC(=O)C[C@@H](CC(=O)O)C Amb10844399 [0,1,0,0,0,1|1,0,0]=3 2128 B9R0.53 CC(=O)C\C(\C)=C\C(O)=O Amb25833580 [0,1,0,0,0,1|1,0,1]=4 2129 B9R0.53 CC(=O)NC(=O)CC(O)=O Amb24671240 [0,1,0,0,0,1|1,0,1]=4 2130 B9R0.53 CC(=O)NC(C)CC(C)=O Amb24096345 [0,1,0,0,0,1|2,0,0]=4 2131 B9R0.53 CC(=O)NN(C)CC(O)=O Amb24430379 [0,1,0,0,0,1|2,0,0]=4 2132 B9R0.53 CC(=O)N[C@H](C)CC(C)=O Amb24478882 [0,1,0,0,0,1|2,0,0]=4 2133 B9R0.53 CC(=O)OC(C)CC(C)=O Amb25690313 [0,1,0,0,0,1|2,0,0]=4 2134 B9R0.53 CC(=O)OC(C)CC(O)=O Amb18644244 [0,1,0,0,0,1|1,0,0]=3 2135 B9R0.53 CC(=O)O[C@H](C)CC(O)=O Amb25062672 [0,1,0,0,0,1|1,0,0]=3 2136 B9R0.53 CC(=O)\C=C(/C)\CC(O)=O Amb25838743 [0,1,0,0,0,1|1,0,1]=4 2137 B9R0.53 CC(=O)\C=C(\C)/CC(O)=O Amb24446679 [0,1,0,0,0,1|1,0,1]=4 2138 B9R0.53 CC(C)=CC(C)CC(O)=O Amb24480766 [0,1,0,0,0,1|2,0,0]=4 2139 B9R0.53 CC(C)=CC(O)CC(O)=O Amb18644102 [0,1,0,0,0,1|2,0,0]=4 2140 B9R0.53 CC(C)=C[C@@H](O)CC(O)=O Amb24393168 [0,1,0,0,0,1|2,0,0]=4 2141 B9R0.53 CC(CC(N)=O)NC(N)=O Amb25365692 [0,1,0,0,0,1|2,0,0]=4 2142 B9R0.53 CC(CC(O)=O)=CC(O)=O Amb24556420 [0,1,0,0,0,1|0,0,1]=3 2143 B9R0.53 CC(CC(O)=O)CC(N)=O Amb19034796 [0,1,0,0,0,1|1,0,0]=3 2144 B9R0.53 CC(CC(O)=O)C[N+]([O-])=O Amb25142280 [0,1,0,0,0,1|1,0,1]=4 2145 B9R0.53 CC(CC(O)=O)NC(N)=N Amb25696242 [0,1,0,0,0,1|2,0,0]=4 2146 B9R0.53 CC(CC(O)=O)NS(C)=O Amb25347318 [0,1,0,0,0,1|2,0,0]=4 2147 B9R0.53 CC(CC(O)=O)SC(N)=N Amb24429158 [0,1,0,0,0,1|2,0,0]=4 2148 B9R0.53 CC(CC(O)=O)SC(N)=S Amb24391550 [0,1,0,0,0,1|1,1,0]=4 2149 B9R0.53 CC(O)CN(C)CC(O)=O Amb18312778 [0,1,0,0,0,1|1,0,1]=4 2150 B9R0.53 CN(CC(=O)C)CC(=O)C Amb10604213 [0,1,0,0,0,1|2,0,0]=4 2151 B9R0.53 CN(CC(=O)Cl)CC(=O)Cl Amb24564588 [0,1,0,0,0,1|2,0,0]=4 2152 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,1,0,0,0,1|0,0,0]=2 2153 B9R0.53 CN(CC(=O)S)CC(N)=O Amb25095881 [0,1,0,0,0,1|1,1,0]=4 2154 B9R0.53 CN(CC(O)=O)CC(=C)Br Amb19015553 [0,1,0,0,0,1|2,0,0]=4 2155 B9R0.53 CN(O)CC(O)CC(O)=O Amb24611959 [0,1,0,0,0,1|2,0,0]=4 2156 B9R0.53 CS(=O)CC(N)CC(O)=O Amb25766509 [0,1,0,0,0,1|2,0,0]=4 2157 B9R0.53 CS(=O)C[C@@H](N)CC(O)=O Amb25321945 [0,1,0,0,0,1|2,0,0]=4 2158 B9R0.53 N=C(CC(O)=O)CC(O)=O Amb25703517 [0,1,0,0,0,1|0,0,0]=2 2159 B9R0.53 NC(=O)CC(O)CC(O)=O Amb25147276 [0,1,0,0,0,1|1,0,0]=3 2160 B9R0.53 NC(=O)CS(=O)CC(N)=O Amb24740763 [0,1,0,0,0,1|2,0,0]=4 2161 B9R0.53 NC(=O)CS(=O)CC(O)=O Amb19007093 [0,1,0,0,0,1|1,0,0]=3 2162 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,1,0,0,0,1|0,0,0]=2 2163 B9R0.53 OC(=O)C=C(Br)CC(O)=O Amb24573499 [0,1,0,0,0,1|0,0,1]=3 2164 B9R0.53 OC(=O)CC(Cl)CC(O)=O Amb18126464 [0,1,0,0,0,1|0,0,0]=2 2165 B9R0.53 OC(=O)CN(Br)CC(O)=O Amb25277216 [0,1,0,0,0,1|0,0,0]=2 2166 B9R0.53 OC(=O)CN(Cl)CC(O)=O Amb24482142 [0,1,0,0,0,1|0,0,0]=2 2167 B9R0.53 OC(=O)C[C@@H](NC(=O)C)C Amb2372568 [0,1,0,0,0,1|1,0,0]=3 2168 B9R0.53 OC(=O)C[C@H](NC(=O)C)C Amb2372567 [0,1,0,0,0,1|1,0,0]=3 2169 B9R0.53 OC(=O)\C=C(/Br)\CC(O)=O Amb25123824 [0,1,0,0,0,1|0,0,1]=3 2170 B9R0.53 OC(CC(=O)O)CC(=O)O Amb17615401 [0,1,0,0,0,1|0,0,0]=2 2171 B9R0.53 ON(CC(O)=O)CC(O)=O Amb25062474 [0,1,0,0,0,1|0,0,0]=2 2172 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb23453377 [0,1,0,0,0,1|0,0,0]=2 2173 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb24121533 [0,1,0,0,0,1|0,0,0]=2 2174 B9R0.56 CC(=O)SCCS(O)(=O)=O Amb21857874 [0,1,0,0,0,1|2,0,0]=4 2175 B9R0.56 CC(C)(O)CCCC(O)=O Amb24340189 [0,1,0,0,0,1|1,0,1]=4 2176 B9R0.56 CC(C)(O)CNCC(O)=O Amb18304065 [0,1,0,0,0,1|1,0,1]=4 2177 B9R0.56 CC(C)(O)CSCC(O)=O Amb18307056 [0,1,0,0,0,1|1,0,1]=4 2178 B9R0.56 CP(C)(=O)CNCC(O)=O Amb25339632 [0,1,0,0,0,1|2,0,0]=4 2179 B9R0.56 CP(O)(=O)CCCC(O)=O Amb24524573 [0,1,0,0,0,1|1,0,0]=3 2180 B9R0.56 CP(O)(=O)CNCC(O)=O Amb25772534 [0,1,0,0,0,1|1,0,0]=3 2181 B9R0.56 CS(=O)(=O)OCCC(O)=O Amb25288145 [0,1,0,0,0,1|1,0,1]=4 2182 B9R0.56 NC(=O)CCOP(O)(O)=O Amb25808331 [0,1,0,0,0,1|2,0,0]=4 2183 B9R0.56 NC(=O)NCCS(O)(=O)=O Amb24710318 [0,1,0,0,0,1|2,0,0]=4 2184 B9R0.56 OC(=O)CCCP(O)(O)=O Amb17671941 [0,1,0,0,0,1|1,0,0]=3 2185 B9R0.56 OC(=O)CCCS(=O)(=O)C Amb17503668 [0,1,0,0,0,1|1,0,1]=4 2186 B9R0.56 OC(=O)CCNS(=O)(=O)C Amb1116751 [0,1,0,0,0,1|1,0,1]=4 2187 B9R0.56 OC(=O)CCNS(O)(=O)=O Amb24479473 [0,1,0,0,0,1|1,0,0]=3 2188 B9R0.56 OC(=O)CCOP(O)(O)=O Amb24482464 [0,1,0,0,0,1|1,0,0]=3 2189 B9R0.56 OC(=O)CCOS(O)(=O)=O Amb24482181 [0,1,0,0,0,1|1,0,0]=3 2190 B9R0.56 OC(=O)CCSP(O)(O)=O Amb24482326 [0,1,0,0,0,1|1,0,0]=3 2191 B9R0.56 OC(=O)CCSS(=O)(=O)C Amb10071647 [0,1,0,0,0,1|1,0,1]=4 2192 B9R0.56 OC(=O)CNCC(O)(O)O Amb24482160 [0,1,0,0,0,1|0,0,2]=4 2193 B9R0.56 OC(=O)CNCP(O)(=O)=O Amb25282213 [0,1,0,0,0,1|1,0,0]=3 2194 B9R0.56 OC(=O)CNCP(O)(O)=O Amb21618824 [0,1,0,0,0,1|1,0,0]=3 2195 B9R0.56 OC(=O)CN[13CH2]P(O)(O)=O Amb22367405 [0,1,0,0,0,1|1,0,0]=3 2196 B9R0.56 OC(=O)\C=C\CP(O)(O)=O Amb24482251 [0,1,0,0,0,1|1,0,1]=4 2197 B9R0.56 OC(=O)\C=C\CS(O)(=O)=O Amb25185208 [0,1,0,0,0,1|1,0,1]=4 2198 B9R0.56 OP(O)(=O)CNCC(=O)Cl Amb24461359 [0,1,0,0,0,1|2,0,0]=4 2199 B9R0.56 O[13C](=O)[13CH2][15NH]CP(=O)(O)O Amb17614840 [0,1,0,0,0,1|1,0,0]=3 2200 B9R0.56 [O-]C(=O)CNCP(O)(O)=O Amb22731628 [0,1,0,0,0,1|1,0,1]=4 2201 B9R0.56 [O-]P(O)(=O)CSCC(O)=O Amb22453470 [0,1,0,0,0,1|1,0,0]=3 2202 B9R0.21 COC(=O)CCC(C)(C)O Amb25687794 [0,2,0,0,0,0|1,0,1]=4 2203 B9R0.21 COC(=O)CCP(O)(O)=O Amb22388887 [0,2,0,0,0,0|1,0,0]=3 2204 B9R0.21 COC(=O)CCS(=O)(=O)F Amb25830336 [0,2,0,0,0,0|1,0,1]=4 2205 B9R0.21 COC(=O)CCS(=O)(=O)N Amb1131761 [0,2,0,0,0,0|1,0,1]=4 2206 B9R0.21 COC(=O)CCS(=O)(=O)O Amb17400246 [0,2,0,0,0,0|1,0,0]=3 2207 B9R0.21 COC(=O)CCS(C)(=O)=O Amb18177820 [0,2,0,0,0,0|1,0,1]=4 2208 B9R0.21 CP(O)(=O)CCC(=O)C#N Amb25320297 [0,2,0,0,0,0|2,0,0]=4 2209 B9R0.21 NCC(=O)CCP(O)(O)=O Amb24625936 [0,2,0,0,0,0|2,0,0]=4 2210 B9R0.21 N\C(\CCP(O)(O)=O)=N/O Amb24743509 [0,2,0,0,0,0|2,0,0]=4 2211 B9R0.21 OC(CCP(O)(O)=O)C=O Amb24722059 [0,2,0,0,0,0|1,0,1]=4 2212 B9R0.21 OCC(=O)CNP(O)(O)=O Amb25273075 [0,2,0,0,0,0|2,0,0]=4 2213 B9R0.21 OCC(=O)OCP(O)(O)=O Amb24749476 [0,2,0,0,0,0|2,0,0]=4 2214 B9R0.21 ON(CCP(O)(O)=O)C=O Amb25857525 [0,2,0,0,0,0|2,0,0]=4 2215 B9R0.21 ONC(=O)COP(O)(O)=O Amb24737572 [0,2,0,0,0,0|2,0,0]=4 2216 B9R0.23 CC(=C)CC(C)C(=O)NO Amb24751825 [0,2,0,0,0,0|2,0,0]=4 2217 B9R0.23 CC(=C)CC(O)C(=O)OC Amb24464009 [0,2,0,0,0,0|2,0,0]=4 2218 B9R0.23 CC(=C)C[C@H](N)C(=O)OC Amb25200054 [0,2,0,0,0,0|2,0,0]=4 2219 B9R0.23 CC(=CC(O)=O)C(=O)OC Amb24362654 [0,2,0,0,0,0|0,0,2]=4 2220 B9R0.23 CC(=O)CC(=C)C(=O)OC Amb25146670 [0,2,0,0,0,0|1,0,1]=4 2221 B9R0.23 CC(=O)CC(N)C(=O)OC Amb25367296 [0,2,0,0,0,0|1,0,0]=3 2222 B9R0.23 CC(=O)CC(O)C(=O)CC Amb25767775 [0,2,0,0,0,0|2,0,0]=4 2223 B9R0.23 CC(=O)C[C@@H](O)C(=O)OC Amb24408458 [0,2,0,0,0,0|1,0,0]=3 2224 B9R0.23 CC(=O)C[C@H](O)C(=O)OC Amb25146504 [0,2,0,0,0,0|1,0,0]=3 2225 B9R0.23 CC(=O)NC(Br)C(=O)OC Amb24434913 [0,2,0,0,0,0|2,0,0]=4 2226 B9R0.23 CC(=O)NC(C)C(=O)OC Amb24650565 [0,2,0,0,0,0|2,0,0]=4 2227 B9R0.23 CC(=O)NC(O)C(=O)OC Amb25147262 [0,2,0,0,0,0|2,0,0]=4 2228 B9R0.23 CC(=O)OC(C)C(=O)OC Amb24719402 [0,2,0,0,0,0|2,0,0]=4 2229 B9R0.23 CC(=O)O[C@@H](C)C(=O)OC Amb24397827 [0,2,0,0,0,0|2,0,0]=4 2230 B9R0.23 CC(C(=O)NC)CC(=O)N Amb17334220 [0,2,0,0,0,0|2,0,0]=4 2231 B9R0.23 CC(CC(C)O)C(=O)OC Amb25781081 [0,2,0,0,0,0|1,0,1]=4 2232 B9R0.23 CC(CC(O)=O)C(=O)CN Amb25072734 [0,2,0,0,0,0|1,0,0]=3 2233 B9R0.23 CC(CC(O)=O)N(C)C=O Amb24670439 [0,2,0,0,0,0|2,0,0]=4 2234 B9R0.23 CC(NC(N)=O)C(=O)NO Amb24705421 [0,2,0,0,0,0|2,0,0]=4 2235 B9R0.23 CC(O)C[C@H](O)C(=O)CO Amb25146805 [0,2,0,0,0,0|1,0,1]=4 2236 B9R0.23 CC(OC)C(C)CC(O)=O Amb18202340 [0,2,0,0,0,0|1,0,1]=4 2237 B9R0.23 CCC(=C)C(N)CC(O)=O Amb25068441 [0,2,0,0,0,0|2,0,0]=4 2238 B9R0.23 CCC(=O)[C@@H](C)CC(O)=O Amb24504994 [0,2,0,0,0,0|1,0,0]=3 2239 B9R0.23 CCC(=O)[C@H](C)CC(O)=O Amb24426900 [0,2,0,0,0,0|1,0,0]=3 2240 B9R0.23 CCC(O)C(O)CC(O)=O Amb25132101 [0,2,0,0,0,0|1,0,1]=4 2241 B9R0.23 CCN(O)C(C)CC(O)=O Amb25379050 [0,2,0,0,0,0|2,0,0]=4 2242 B9R0.23 CCS(=O)C(C)CC(O)=O Amb19012075 [0,2,0,0,0,0|2,0,0]=4 2243 B9R0.23 CC[C@H](O)[C@H](N)CC(O)=O Amb25204323 [0,2,0,0,0,0|1,0,1]=4 2244 B9R0.23 CN(C(=O)CC)CC(=O)O Amb1113094 [0,2,0,0,0,0|2,0,0]=4 2245 B9R0.23 CN(CC(O)=O)C(=O)CCl Amb21956220 [0,2,0,0,0,0|2,0,0]=4 2246 B9R0.23 CN(CC(O)=O)C(=O)CN Amb21929346 [0,2,0,0,0,0|2,0,0]=4 2247 B9R0.23 CN(CC(O)=O)C(=O)CO Amb25848387 [0,2,0,0,0,0|1,0,0]=3 2248 B9R0.23 CN(CC(O)=O)C(=S)OC Amb24514158 [0,2,0,0,0,0|1,1,0]=4 2249 B9R0.23 CNC(=O)C(N)CC(N)=O Amb18968977 [0,2,0,0,0,0|2,0,0]=4 2250 B9R0.23 CNC(=O)C(N)CC(O)=O Amb18862479 [0,2,0,0,0,0|1,0,0]=3 2251 B9R0.23 CNC(=O)[C@@H](N)CC(O)=O Amb25694374 [0,2,0,0,0,0|1,0,0]=3 2252 B9R0.23 COC(=O)C(=C)CC(N)=O Amb25757986 [0,2,0,0,0,0|1,0,1]=4 2253 B9R0.23 COC(=O)C(=O)CC(=O)C Amb1155424 [0,2,0,0,0,0|1,0,1]=4 2254 B9R0.23 COC(=O)C(Br)CC(N)=O Amb24728398 [0,2,0,0,0,0|1,0,0]=3 2255 B9R0.23 COC(=O)C(Br)CC(O)=O Amb18656999 [0,2,0,0,0,0|0,0,0]=2 2256 B9R0.23 COC(=O)C(C)CC(=O)Cl Amb24648102 [0,2,0,0,0,0|1,0,0]=3 2257 B9R0.23 COC(=O)C(C)CC(N)=N Amb25178681 [0,2,0,0,0,0|2,0,0]=4 2258 B9R0.23 COC(=O)C(C)CC(N)=O Amb25113876 [0,2,0,0,0,0|1,0,0]=3 2259 B9R0.23 COC(=O)C(C)CC(O)=O Amb18644248 [0,2,0,0,0,0|0,0,0]=2 2260 B9R0.23 COC(=O)C(C)CS(C)=O Amb18788308 [0,2,0,0,0,0|2,0,0]=4 2261 B9R0.23 COC(=O)C(C)NC(N)=O Amb20407420 [0,2,0,0,0,0|2,0,0]=4 2262 B9R0.23 COC(=O)C(CC(=O)N)N Amb16243083 [0,2,0,0,0,0|1,0,0]=3 2263 B9R0.23 COC(=O)C(CC(=O)N)N Amb17601698 [0,2,0,0,0,0|1,0,0]=3 2264 B9R0.23 COC(=O)C(CC(=O)O)O Amb17615865 [0,2,0,0,0,0|0,0,0]=2 2265 B9R0.23 COC(=O)C(Cl)OC(=O)Cl Amb25711657 [0,2,0,0,0,0|2,0,0]=4 2266 B9R0.23 COC(=O)C(N)CC(=C)Br Amb24630384 [0,2,0,0,0,0|2,0,0]=4 2267 B9R0.23 COC(=O)C(N)CC(=C)Cl Amb18645938 [0,2,0,0,0,0|2,0,0]=4 2268 B9R0.23 COC(=O)C(N)CC(O)=O Amb18644309 [0,2,0,0,0,0|0,0,0]=2 2269 B9R0.23 COC(=O)C(O)CN(C)O Amb24713209 [0,2,0,0,0,0|2,0,0]=4 2270 B9R0.23 COC(=O)C(O)CS(C)=O Amb25369004 [0,2,0,0,0,0|2,0,0]=4 2271 B9R0.23 COC(=O)[C@@H](C)CC(N)=O Amb24351411 [0,2,0,0,0,0|1,0,0]=3 2272 B9R0.23 COC(=O)[C@@H](C)CC(O)=O Amb22226152 [0,2,0,0,0,0|0,0,0]=2 2273 B9R0.23 COC(=O)[C@@H](C)NC(N)=O Amb24400792 [0,2,0,0,0,0|2,0,0]=4 2274 B9R0.23 COC(=O)[C@@H](CC(=O)O)O Amb17615866 [0,2,0,0,0,0|0,0,0]=2 2275 B9R0.23 COC(=O)[C@@H](N)CC(O)=O Amb22746069 [0,2,0,0,0,0|0,0,0]=2 2276 B9R0.23 COC(=O)[C@@H](N)CS(O)=O Amb24592787 [0,2,0,0,0,0|1,0,0]=3 2277 B9R0.23 COC(=O)[C@@H](O)CC(N)=O Amb25147368 [0,2,0,0,0,0|1,0,0]=3 2278 B9R0.23 COC(=O)[C@H](C)CC(N)=O Amb25824598 [0,2,0,0,0,0|1,0,0]=3 2279 B9R0.23 COC(=O)[C@H](C)CC(O)=O Amb24561954 [0,2,0,0,0,0|0,0,0]=2 2280 B9R0.23 COC(=O)[C@H](CC(=O)N)N Amb10844909 [0,2,0,0,0,0|1,0,0]=3 2281 B9R0.23 COC(=O)[C@H](CC(=O)O)O Amb17615867 [0,2,0,0,0,0|0,0,0]=2 2282 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb19883963 [0,2,0,0,0,0|1,0,0]=3 2283 B9R0.23 COC(=O)[C@H](N)CC(O)=O Amb19944281 [0,2,0,0,0,0|0,0,0]=2 2284 B9R0.23 COC(=O)[C@H](NC(=O)C)C Amb17621817 [0,2,0,0,0,0|2,0,0]=4 2285 B9R0.23 COC(=O)\C(=C\C(=O)O)\Br Amb15695379 [0,2,0,0,0,0|0,0,2]=4 2286 B9R0.23 COC(=O)\C(\Cl)=C/C(O)=O Amb24482175 [0,2,0,0,0,0|0,0,2]=4 2287 B9R0.23 COC(O)C(O)CC(O)=O Amb24650997 [0,2,0,0,0,0|0,0,2]=4 2288 B9R0.23 C[C@H](CC(O)=O)[C@H](O)CN Amb25131743 [0,2,0,0,0,0|1,0,1]=4 2289 B9R0.23 C\C(=C/C)\C(N)CC(O)=O Amb24377592 [0,2,0,0,0,0|2,0,0]=4 2290 B9R0.23 C\C(=C/C)\C(O)CC(O)=O Amb18644100 [0,2,0,0,0,0|2,0,0]=4 2291 B9R0.23 C\C(=C/N)\C(N)CC(O)=O Amb25761855 [0,2,0,0,0,0|2,0,0]=4 2292 B9R0.23 NC(CC(O)=O)C(=O)O[Na] Amb22352689 [0,2,0,0,0,0|0,0,0]=2 2293 B9R0.23 NC(CC([O-])=O)C(=O)O[Cu+] Amb22540451 [0,2,0,0,0,0|0,0,1]=3 2294 B9R0.23 NCC(=O)C(N)CC(O)=O Amb24745663 [0,2,0,0,0,0|1,0,0]=3 2295 B9R0.23 NCC(=O)N(O)CC(O)=O Amb24480719 [0,2,0,0,0,0|2,0,0]=4 2296 B9R0.23 NN(CC(O)=O)C(=O)CCl Amb24480599 [0,2,0,0,0,0|2,0,0]=4 2297 B9R0.23 N[C@@H](CC(O)=O)C(=O)NO Amb25762946 [0,2,0,0,0,0|0,0,0]=2 2298 B9R0.23 N[C@@H](CC(O)=O)[C@@H](N)CO Amb25788533 [0,2,0,0,0,0|1,0,1]=4 2299 B9R0.23 OC(=O)CC(C(=O)CBr)Br Amb15772353 [0,2,0,0,0,0|1,0,0]=3 2300 B9R0.23 OC(=O)CC(Cl)C(=O)CCl Amb24426203 [0,2,0,0,0,0|1,0,0]=3 2301 B9R0.23 OC(=O)CC(O)C(=O)CO Amb25124913 [0,2,0,0,0,0|0,0,0]=2 2302 B9R0.23 OC(=O)C[C@H](O)C(=O)CO Amb25259211 [0,2,0,0,0,0|0,0,0]=2 2303 B9R0.23 OC[C@@H](O)[C@@H](O)CC(O)=O Amb24509722 [0,2,0,0,0,0|0,0,2]=4 2304 B9R0.23 OC[C@@H](O)[C@H](O)CC(O)=O Amb25258026 [0,2,0,0,0,0|0,0,2]=4 2305 B9R0.23 OC[C@H](O)[C@H](O)CC(O)=O Amb24726353 [0,2,0,0,0,0|0,0,2]=4 2306 B9R0.24 BrCC(=O)CCC(=O)OC Amb17403793 [0,2,0,0,0,0|1,0,0]=3 2307 B9R0.24 BrCC(=O)NCC(=O)OC Amb17329958 [0,2,0,0,0,0|2,0,0]=4 2308 B9R0.24 CCC(=O)CCC(=O)C=C Amb25146819 [0,2,0,0,0,0|2,0,0]=4 2309 B9R0.24 CCC(=O)CCC(=O)OC Amb24369355 [0,2,0,0,0,0|1,0,0]=3 2310 B9R0.24 CCC(=O)CNC(=O)OC Amb25782037 [0,2,0,0,0,0|2,0,0]=4 2311 B9R0.24 CCC(=O)NCC(=O)NO Amb24529194 [0,2,0,0,0,0|2,0,0]=4 2312 B9R0.24 CCC(O)CCC(=O)OC Amb25850223 [0,2,0,0,0,0|1,0,1]=4 2313 B9R0.24 CCN(O)CCC(=O)OC Amb24763933 [0,2,0,0,0,0|2,0,0]=4 2314 B9R0.24 CCS(=O)CCC(=O)OC Amb18788300 [0,2,0,0,0,0|2,0,0]=4 2315 B9R0.24 CC[C@@H](O)CCC(=O)OC Amb24561650 [0,2,0,0,0,0|1,0,1]=4 2316 B9R0.24 CC[C@H](O)CCC(=O)OC Amb24377641 [0,2,0,0,0,0|1,0,1]=4 2317 B9R0.24 CNC(=O)CCC(=O)OC Amb17399893 [0,2,0,0,0,0|1,0,0]=3 2318 B9R0.24 CNC(=O)CNC(=O)OC Amb24457364 [0,2,0,0,0,0|2,0,0]=4 2319 B9R0.24 CNC(=O)NCC(=O)OC Amb25053562 [0,2,0,0,0,0|2,0,0]=4 2320 B9R0.24 COC(=N)CCC(=O)OC Amb17673181 [0,2,0,0,0,0|1,0,0]=3 2321 B9R0.24 COC(=O)C#CC(=O)CO Amb24379030 [0,2,0,0,0,0|0,0,2]=4 2322 B9R0.24 COC(=O)CCC(=O)C#C Amb25092912 [0,2,0,0,0,0|1,0,0]=3 2323 B9R0.24 COC(=O)CCC(=O)C#N Amb24619769 [0,2,0,0,0,0|1,0,0]=3 2324 B9R0.24 COC(=O)CCC(=O)CN Amb18202127 [0,2,0,0,0,0|1,0,0]=3 2325 B9R0.24 COC(=O)CCC(Br)C=O Amb24680272 [0,2,0,0,0,0|1,0,1]=4 2326 B9R0.24 COC(=O)CCC(C)C=O Amb18644121 [0,2,0,0,0,0|1,0,1]=4 2327 B9R0.24 COC(=O)CCC(O)C=C Amb25127861 [0,2,0,0,0,0|1,0,1]=4 2328 B9R0.24 COC(=O)CCC(O)CBr Amb25044783 [0,2,0,0,0,0|1,0,1]=4 2329 B9R0.24 COC(=O)CCC(O)CN Amb25857935 [0,2,0,0,0,0|1,0,1]=4 2330 B9R0.24 COC(=O)CCC(O)CO Amb25204294 [0,2,0,0,0,0|0,0,2]=4 2331 B9R0.24 COC(=O)CC[C@@H](C)C=O Amb25104821 [0,2,0,0,0,0|1,0,1]=4 2332 B9R0.24 COC(=O)CC[C@@H](O)C#C Amb25343842 [0,2,0,0,0,0|1,0,1]=4 2333 B9R0.24 COC(=O)CC[C@@H](O)CN Amb24744697 [0,2,0,0,0,0|1,0,1]=4 2334 B9R0.24 COC(=O)CC[C@H](Cl)C=O Amb25100997 [0,2,0,0,0,0|1,0,1]=4 2335 B9R0.24 COC(=O)CC[C@H](O)C=C Amb24481290 [0,2,0,0,0,0|1,0,1]=4 2336 B9R0.24 COC(=O)CNC(=O)SC Amb24620395 [0,2,0,0,0,0|1,1,0]=4 2337 B9R0.24 COC(=O)COC(=O)CCl Amb24378028 [0,2,0,0,0,0|2,0,0]=4 2338 B9R0.24 COC(=O)CSC(=S)OC Amb25133989 [0,2,0,0,0,0|1,1,0]=4 2339 B9R0.24 COC(=O)N=NC(=O)OC Amb10807402 [0,2,0,0,0,0|2,0,0]=4 2340 B9R0.24 COC(=O)NCC(N)=NO Amb25835564 [0,2,0,0,0,0|2,0,0]=4 2341 B9R0.24 COC(=O)OCC(=O)CC Amb25059695 [0,2,0,0,0,0|2,0,0]=4 2342 B9R0.24 COC(=O)OOC(=O)OC Amb22731739 [0,2,0,0,0,0|2,0,0]=4 2343 B9R0.24 COC(=O)\C=C\C(=O)OC Amb1789270 [0,2,0,0,0,0|0,0,2]=4 2344 B9R0.24 COP(=O)CCC(=O)OC Amb25187314 [0,2,0,0,0,0|1,0,0]=3 2345 B9R0.24 COS(=O)CCC(=O)OC Amb22728623 [0,2,0,0,0,0|1,0,0]=3 2346 B9R0.24 C\C(\C=O)=C/CC(=O)OC Amb18643828 [0,2,0,0,0,0|1,0,1]=4 2347 B9R0.24 C\C(\C=O)=C\CC(=O)OC Amb24655988 [0,2,0,0,0,0|1,0,1]=4 2348 B9R0.24 NC(CCC(N)=S=O)=S=O Amb25774371 [0,2,0,0,0,0|2,0,0]=4 2349 B9R0.24 NCC(=O)NCC(=O)NO Amb24418745 [0,2,0,0,0,0|2,0,0]=4 2350 B9R0.24 NOC(=O)CCC(=O)C#N Amb24478209 [0,2,0,0,0,0|1,0,0]=3 2351 B9R0.24 O=C(\C=C/C(=O)O[Na])O[Na] Amb22361235 [0,2,0,0,0,0|0,0,2]=4 2352 B9R0.24 O=C(\[13CH]=[13CH]\C(=O)O[Na])O[Na] Amb22353328 [0,2,0,0,0,0|0,0,2]=4 2353 B9R0.24 O=NN(CCC(=O)OC)C Amb17618594 [0,2,0,0,0,0|2,0,0]=4 2354 B9R0.24 OCC(=O)CCC(=O)CO Amb25358920 [0,2,0,0,0,0|0,0,0]=2 2355 B9R0.24 [NH4]OC(=O)CCC(=O)O[NH4] Amb22346144 [0,2,0,0,0,0|0,0,0]=2 2356 B9R0.42 C=C(CC(N)C(O)=O)C=C Amb25698333 [0,2,0,0,0,0|2,0,0]=4 2357 B9R0.42 CC(=O)C(=C)CC(=O)OC Amb24378956 [0,2,0,0,0,0|1,0,1]=4 2358 B9R0.42 CC(=O)C(=O)CC(=O)OC Amb25146895 [0,2,0,0,0,0|1,0,1]=4 2359 B9R0.42 CC(=O)C(C)CC(=C)CO Amb24477027 [0,2,0,0,0,0|2,0,0]=4 2360 B9R0.42 CC(=O)C(C)CC(=O)CC Amb25146752 [0,2,0,0,0,0|2,0,0]=4 2361 B9R0.42 CC(=O)C(C)OC(=O)CO Amb24482745 [0,2,0,0,0,0|2,0,0]=4 2362 B9R0.42 CC(=O)C(C)OC(=O)OC Amb24647748 [0,2,0,0,0,0|2,0,0]=4 2363 B9R0.42 CC(=O)C(Cl)CC(=O)OC Amb25061154 [0,2,0,0,0,0|1,0,0]=3 2364 B9R0.42 CC(=O)C(N)CC(=O)OC Amb24529258 [0,2,0,0,0,0|1,0,0]=3 2365 B9R0.42 CC(=O)C(O)CC(=O)CC Amb24467028 [0,2,0,0,0,0|2,0,0]=4 2366 B9R0.42 CC(=O)C(O)CC(=O)OC Amb25146688 [0,2,0,0,0,0|1,0,0]=3 2367 B9R0.42 CC(=O)[C@@H](C)CC(=C)CO Amb24423877 [0,2,0,0,0,0|2,0,0]=4 2368 B9R0.42 CC(=O)[C@H](C)NC(=O)OC Amb24377158 [0,2,0,0,0,0|2,0,0]=4 2369 B9R0.42 CC(C(=O)N)CC(=O)NC Amb17334219 [0,2,0,0,0,0|2,0,0]=4 2370 B9R0.42 CC(C(=O)O)NC(=O)CC Amb1116933 [0,2,0,0,0,0|2,0,0]=4 2371 B9R0.42 CC(C(=O)O)NC(=O)NC Amb1130316 [0,2,0,0,0,0|2,0,0]=4 2372 B9R0.42 CC(CC(=O)CCl)C(O)=O Amb24585160 [0,2,0,0,0,0|1,0,0]=3 2373 B9R0.42 CC(CC(=O)CN)C(O)=O Amb25758299 [0,2,0,0,0,0|1,0,0]=3 2374 B9R0.42 CC(CC(=O)OC)C(C)O Amb25260435 [0,2,0,0,0,0|1,0,1]=4 2375 B9R0.42 CC(CC(C)C=O)C(O)=O Amb18644134 [0,2,0,0,0,0|1,0,1]=4 2376 B9R0.42 CC(CC(F)C(O)=O)OC Amb25298262 [0,2,0,0,0,0|1,0,1]=4 2377 B9R0.42 CC(CC(N)C(O)=O)=C=C Amb24409576 [0,2,0,0,0,0|2,0,0]=4 2378 B9R0.42 CC(CC(N)C(O)=O)CO Amb25147300 [0,2,0,0,0,0|1,0,1]=4 2379 B9R0.42 CC(CC(N)C(O)=O)OC Amb25147752 [0,2,0,0,0,0|1,0,1]=4 2380 B9R0.42 CC(CC(O)C(O)=O)=NO Amb25291967 [0,2,0,0,0,0|1,0,0]=3 2381 B9R0.42 CC(CC(O)CN)C(O)=O Amb25375725 [0,2,0,0,0,0|1,0,1]=4 2382 B9R0.42 CC(CC(S)C(O)=O)OC Amb24641528 [0,2,0,0,0,0|1,0,1]=4 2383 B9R0.42 CC(CN(C)C=O)C(O)=O Amb18292993 [0,2,0,0,0,0|2,0,0]=4 2384 B9R0.42 CC(C[C@@H](N)C(O)=O)OC Amb24412403 [0,2,0,0,0,0|1,0,1]=4 2385 B9R0.42 CC(O)C(N)CC(=O)OC Amb24466348 [0,2,0,0,0,0|1,0,1]=4 2386 B9R0.42 CC(O)[C@@H](N)CC(=O)OC Amb25315361 [0,2,0,0,0,0|1,0,1]=4 2387 B9R0.42 CC(OC(=O)CN)C(O)=O Amb25305694 [0,2,0,0,0,0|2,0,0]=4 2388 B9R0.42 CC(OC(=O)CO)C(O)=O Amb24480687 [0,2,0,0,0,0|1,0,0]=3 2389 B9R0.42 CCC(=C)CC(C)C(O)=O Amb25342029 [0,2,0,0,0,0|2,0,0]=4 2390 B9R0.42 CCC(=C)CC(O)C(O)=O Amb25200851 [0,2,0,0,0,0|2,0,0]=4 2391 B9R0.42 CCC(=C)C[C@H](C)C(O)=O Amb24384990 [0,2,0,0,0,0|2,0,0]=4 2392 B9R0.42 CCC(=C)C[C@H](N)C(O)=O Amb25694434 [0,2,0,0,0,0|2,0,0]=4 2393 B9R0.42 CCC(=O)CC(N)C(N)=O Amb25129863 [0,2,0,0,0,0|2,0,0]=4 2394 B9R0.42 CCC(=O)CC(N)C(O)=O Amb22546324 [0,2,0,0,0,0|1,0,0]=3 2395 B9R0.42 CCC(=O)CC(N)C(O)=O Amb24479073 [0,2,0,0,0,0|1,0,0]=3 2396 B9R0.42 CCC(=O)C[C@@H](C)C(O)=O Amb24680887 [0,2,0,0,0,0|1,0,0]=3 2397 B9R0.42 CCC(=O)C[C@H](N)C(O)=O Amb24479266 [0,2,0,0,0,0|1,0,0]=3 2398 B9R0.42 CCC(=O)N[C@@H](C)C(O)=O Amb22901053 [0,2,0,0,0,0|2,0,0]=4 2399 B9R0.42 CCC(=O)OC(C)C(O)=O Amb18644241 [0,2,0,0,0,0|2,0,0]=4 2400 B9R0.42 CCC(O)CC(N)C(O)=O Amb24117068 [0,2,0,0,0,0|1,0,1]=4 2401 B9R0.42 CCC(O)C[C@H](N)C(O)=O Amb24759913 [0,2,0,0,0,0|1,0,1]=4 2402 B9R0.42 CCN(O)CC(O)C(O)=O Amb24699297 [0,2,0,0,0,0|2,0,0]=4 2403 B9R0.42 CCS(=O)CC(C)C(O)=O Amb19012076 [0,2,0,0,0,0|2,0,0]=4 2404 B9R0.42 CNC(=O)CC(=C)C(O)=O Amb22269311 [0,2,0,0,0,0|1,0,1]=4 2405 B9R0.42 CNC(=O)CC(N)C(N)=O Amb25284709 [0,2,0,0,0,0|2,0,0]=4 2406 B9R0.42 CNC(=O)C[C@@H](N)C(O)=O Amb20240891 [0,2,0,0,0,0|1,0,0]=3 2407 B9R0.42 CNC(=O)C[C@H](N)C(O)=O Amb20242140 [0,2,0,0,0,0|1,0,0]=3 2408 B9R0.42 CNC(=O)N[C@@H](C)C(O)=O Amb24478025 [0,2,0,0,0,0|2,0,0]=4 2409 B9R0.42 CNC(=O)N[C@H](C)C(O)=O Amb24558529 [0,2,0,0,0,0|2,0,0]=4 2410 B9R0.42 COC(=O)CC(=C)C(N)=O Amb24655917 [0,2,0,0,0,0|1,0,1]=4 2411 B9R0.42 COC(=O)CC(=O)C(O)=O Amb22728219 [0,2,0,0,0,0|0,0,1]=3 2412 B9R0.42 COC(=O)CC(Br)C(O)=O Amb18656998 [0,2,0,0,0,0|0,0,0]=2 2413 B9R0.42 COC(=O)CC(C(=O)C)Br Amb17403794 [0,2,0,0,0,0|1,0,0]=3 2414 B9R0.42 COC(=O)CC(C)C(N)=O Amb24604307 [0,2,0,0,0,0|1,0,0]=3 2415 B9R0.42 COC(=O)CC(C)C(O)=O Amb18644239 [0,2,0,0,0,0|0,0,0]=2 2416 B9R0.42 COC(=O)CC(C)S(C)=O Amb18788309 [0,2,0,0,0,0|2,0,0]=4 2417 B9R0.42 COC(=O)CC(N)C(O)=O Amb22489498 [0,2,0,0,0,0|0,0,0]=2 2418 B9R0.42 COC(=O)CC(O)C(O)=O Amb25786182 [0,2,0,0,0,0|0,0,0]=2 2419 B9R0.42 COC(=O)C[C@@H](C(=O)O)N Amb13884879 [0,2,0,0,0,0|0,0,0]=2 2420 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl Amb24556752 [0,2,0,0,0,0|1,0,0]=3 2421 B9R0.42 COC(=O)C[C@@H](N)C(O)=O Amb22745861 [0,2,0,0,0,0|0,0,0]=2 2422 B9R0.42 COC(=O)C[C@@H](O)C(O)=O Amb23603858 [0,2,0,0,0,0|0,0,0]=2 2423 B9R0.42 COC(=O)C[C@H](Br)C(N)=O Amb25326024 [0,2,0,0,0,0|1,0,0]=3 2424 B9R0.42 COC(=O)C[C@H](O)C(O)=O Amb25367304 [0,2,0,0,0,0|0,0,0]=2 2425 B9R0.42 COC(=O)C[C@H]([NH3+])C(=O)O Amb10574406 [0,2,0,0,0,0|0,0,0]=2 2426 B9R0.42 COC(=O)NC(C)C(=O)Cl Amb25365583 [0,2,0,0,0,0|2,0,0]=4 2427 B9R0.42 COC(=O)NC(C)C(N)=O Amb24459048 [0,2,0,0,0,0|2,0,0]=4 2428 B9R0.42 COC(=O)N[C@@H](C)C(O)=O Amb24477985 [0,2,0,0,0,0|1,0,0]=3 2429 B9R0.42 COC(=O)N[C@H](C)C(=O)Cl Amb24505067 [0,2,0,0,0,0|2,0,0]=4 2430 B9R0.42 COC(=O)N[C@H](C)C(O)=O Amb24381066 [0,2,0,0,0,0|1,0,0]=3 2431 B9R0.42 COC(=S)NC(C)C(O)=O Amb24740723 [0,2,0,0,0,0|1,1,0]=4 2432 B9R0.42 COC(=S)N[C@@H](C)C(O)=O Amb25088529 [0,2,0,0,0,0|1,1,0]=4 2433 B9R0.42 CO[C@@H](C)C[C@H](C)C(O)=O Amb24691586 [0,2,0,0,0,0|1,0,1]=4 2434 B9R0.42 C[C@@H](CC(=O)OC)[C@H](C)O Amb25206323 [0,2,0,0,0,0|1,0,1]=4 2435 B9R0.42 C[C@@H](C[C@H](O)CN)C(O)=O Amb24447195 [0,2,0,0,0,0|1,0,1]=4 2436 B9R0.42 C[C@@H](NC(=O)C#C)C(O)=O Amb25289450 [0,2,0,0,0,0|2,0,0]=4 2437 B9R0.42 C[C@@H](NC(=O)C=C)C(O)=O Amb25780798 [0,2,0,0,0,0|2,0,0]=4 2438 B9R0.42 C[C@@H](NC(=O)CN)C(O)=O Amb22746707 [0,2,0,0,0,0|2,0,0]=4 2439 B9R0.42 C[C@H](C(=O)O)NC(=O)CCl Amb10842258 [0,2,0,0,0,0|2,0,0]=4 2440 B9R0.42 C[C@H](C[C@H](C)CO)C(O)=O Amb24480419 [0,2,0,0,0,0|1,0,1]=4 2441 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CO Amb25378739 [0,2,0,0,0,0|1,0,1]=4 2442 B9R0.42 C[C@H](NC(=O)C=C)C(O)=O Amb25805764 [0,2,0,0,0,0|2,0,0]=4 2443 B9R0.42 C[C@H](NC(=O)CBr)C(O)=O Amb25804070 [0,2,0,0,0,0|2,0,0]=4 2444 B9R0.42 C[C@H](OC(=O)CO)C(O)=O Amb24469338 [0,2,0,0,0,0|1,0,0]=3 2445 B9R0.42 C\C(=C/C(=O)OC)\C(O)=O Amb18644070 [0,2,0,0,0,0|0,0,2]=4 2446 B9R0.42 C\C(=C\C(=O)OC)\C(O)=O Amb24670134 [0,2,0,0,0,0|0,0,2]=4 2447 B9R0.42 C\C(=N\C(=O)CO)\C(O)=O Amb24505276 [0,2,0,0,0,0|1,0,1]=4 2448 B9R0.42 C\C(\CC(N)C(O)=O)=C/C Amb24587021 [0,2,0,0,0,0|2,0,0]=4 2449 B9R0.42 C\C(\C[C@H](N)C(O)=O)=C\C Amb24746992 [0,2,0,0,0,0|2,0,0]=4 2450 B9R0.42 NC(CC(=O)CBr)C(O)=O Amb24477386 [0,2,0,0,0,0|1,0,0]=3 2451 B9R0.42 NC(CC(=O)CCl)C(O)=O Amb24061070 [0,2,0,0,0,0|1,0,0]=3 2452 B9R0.42 NC(CC(=O)CO)C(O)=O Amb18644310 [0,2,0,0,0,0|0,0,0]=2 2453 B9R0.42 NC(CC(=O)NCl)C(O)=O Amb24454054 [0,2,0,0,0,0|1,0,0]=3 2454 B9R0.42 NC(CC(=O)NO)C(O)=O Amb22349932 [0,2,0,0,0,0|0,0,0]=2 2455 B9R0.42 NC(CC(Br)=CBr)C(O)=O Amb24644290 [0,2,0,0,0,0|2,0,0]=4 2456 B9R0.42 NC(CC(O)CCl)C(O)=O Amb20179638 [0,2,0,0,0,0|1,0,1]=4 2457 B9R0.42 NC(CC(O)CO)C(O)=O Amb18644388 [0,2,0,0,0,0|0,0,2]=4 2458 B9R0.42 NC(CC(O)CO)C(O)=O Amb24117285 [0,2,0,0,0,0|0,0,2]=4 2459 B9R0.42 NC(\C=C(\P)/C=O)C(O)=O Amb25361040 [0,2,0,0,0,0|1,0,1]=4 2460 B9R0.42 NCC(=O)CC(F)C(O)=O Amb25367166 [0,2,0,0,0,0|1,0,0]=3 2461 B9R0.42 NCC(=O)CC(N)C(O)=O Amb24462002 [0,2,0,0,0,0|1,0,0]=3 2462 B9R0.42 NCC(=O)C[C@H](N)C(O)=O Amb25757838 [0,2,0,0,0,0|1,0,0]=3 2463 B9R0.42 NC[C@H](O)C[C@H](O)C(O)=O Amb24383534 [0,2,0,0,0,0|1,0,1]=4 2464 B9R0.42 NNC(=O)C[C@H](N)C(O)=O Amb24680907 [0,2,0,0,0,0|1,0,0]=3 2465 B9R0.42 N[C@@H](CC(=O)CBr)C(O)=O Amb24477399 [0,2,0,0,0,0|1,0,0]=3 2466 B9R0.42 N[C@@H](CC(F)CO)C(O)=O Amb24079182 [0,2,0,0,0,0|1,0,1]=4 2467 B9R0.42 N[C@@H](CC(O)CN)C(O)=O Amb24455060 [0,2,0,0,0,0|1,0,1]=4 2468 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O Amb25367252 [0,2,0,0,0,0|0,0,1]=3 2469 B9R0.42 N[C@@H](C[C@@H](O)CN)C(O)=O Amb25320209 [0,2,0,0,0,0|1,0,1]=4 2470 B9R0.42 N[C@@H](C[C@@H](O)CO)C(O)=O Amb24680903 [0,2,0,0,0,0|0,0,2]=4 2471 B9R0.42 N[C@@H](C[C@H](O)CCl)C(O)=O Amb25265266 [0,2,0,0,0,0|1,0,1]=4 2472 B9R0.42 N[C@@H](C[C@H](O)CN)C(O)=O Amb24446199 [0,2,0,0,0,0|1,0,1]=4 2473 B9R0.42 N[C@H](CC(=O)NO)C(O)=O Amb24451287 [0,2,0,0,0,0|0,0,0]=2 2474 B9R0.42 N[C@H](C[C@@H](O)CN)C(O)=O Amb24480730 [0,2,0,0,0,0|1,0,1]=4 2475 B9R0.42 N[C@H](C[C@H](O)CN)C(O)=O Amb25147418 [0,2,0,0,0,0|1,0,1]=4 2476 B9R0.42 O=NN(CC(C(=O)O)N)O Amb17607757 [0,2,0,0,0,0|1,0,0]=3 2477 B9R0.42 O=NN(C[C@@H](C(=O)O)N)O Amb17607759 [0,2,0,0,0,0|1,0,0]=3 2478 B9R0.42 O=[15N][15N](CC(C(=O)O)N)O Amb17607758 [0,2,0,0,0,0|1,0,0]=3 2479 B9R0.42 OC(=O)C(O)CC(=O)CBr Amb24477419 [0,2,0,0,0,0|1,0,0]=3 2480 B9R0.42 OCC(O)CC(O)C(O)=O Amb18644410 [0,2,0,0,0,0|0,0,2]=4 2481 B9R0.42 OC[C@@H](O)C[C@@H](O)C(O)=O Amb25227512 [0,2,0,0,0,0|0,0,2]=4 2482 B9R0.42 OC[C@@H](O)C[C@H](O)C(O)=O Amb25336564 [0,2,0,0,0,0|0,0,2]=4 2483 B9R0.42 OC[C@H](O)C[C@@H](O)C(O)=O Amb25774509 [0,2,0,0,0,0|0,0,2]=4 2484 B9R0.43 CC(=O)CC\C(\C=O)=C\C Amb18643605 [0,2,0,0,0,0|2,0,0]=4 2485 B9R0.43 CC(=O)OC\C(\C=O)=N/O Amb24418493 [0,2,0,0,0,0|2,0,0]=4 2486 B9R0.43 CCC(CCC(O)=O)=CC Amb24480728 [0,2,0,0,0,0|2,0,0]=4 2487 B9R0.43 CCC(CCC(O)=O)C=O Amb25378745 [0,2,0,0,0,0|1,0,1]=4 2488 B9R0.43 CCN(CCC(O)=O)C=O Amb19010092 [0,2,0,0,0,0|2,0,0]=4 2489 B9R0.43 CCN(CCC(O)=O)N=O Amb24659873 [0,2,0,0,0,0|2,0,0]=4 2490 B9R0.43 COC(CCC(O)=O)OC Amb24657204 [0,2,0,0,0,0|0,0,2]=4 2491 B9R0.43 CO[C@H](CN)CCC(O)=O Amb24544386 [0,2,0,0,0,0|1,0,1]=4 2492 B9R0.43 NCC(CCC(O)=O)=NO Amb24591142 [0,2,0,0,0,0|1,0,0]=3 2493 B9R0.48 C#CCC(O)CCC(O)=O Amb25077171 [0,2,0,0,0,0|1,0,1]=4 2494 B9R0.48 C=C=CC(=O)CCC(O)=O Amb25367303 [0,2,0,0,0,0|1,0,0]=3 2495 B9R0.48 C=CCC(=O)CCC(O)=O Amb18643852 [0,2,0,0,0,0|1,0,0]=3 2496 B9R0.48 C=CCC(=O)NCC(O)=O Amb19028176 [0,2,0,0,0,0|2,0,0]=4 2497 B9R0.48 C=CCS(=O)CCC(O)=O Amb25032474 [0,2,0,0,0,0|2,0,0]=4 2498 B9R0.48 C=CNC(=O)CCC(O)=O Amb24505247 [0,2,0,0,0,0|1,0,0]=3 2499 B9R0.48 C=NCC(=O)NCC(O)=O Amb25739222 [0,2,0,0,0,0|2,0,0]=4 2500 B9R0.48 CC(=C)CCC(=O)COC Amb24371466 [0,2,0,0,0,0|2,0,0]=4 2501 B9R0.48 CC(=C)CCC(=O)OCC Amb22270105 [0,2,0,0,0,0|2,0,0]=4 2502 B9R0.48 CC(=O)CCC(=O)CC#N Amb24721780 [0,2,0,0,0,0|2,0,0]=4 2503 B9R0.48 CC(=O)CCC(=O)CCBr Amb24381453 [0,2,0,0,0,0|2,0,0]=4 2504 B9R0.48 CC(=O)CCC(=O)COC Amb24724049 [0,2,0,0,0,0|1,0,0]=3 2505 B9R0.48 CC(=O)CCC(=O)NOC Amb24478126 [0,2,0,0,0,0|1,0,0]=3 2506 B9R0.48 CC(=O)CCC(=O)OC=C Amb24633305 [0,2,0,0,0,0|1,0,0]=3 2507 B9R0.48 CC(=O)CCC(=O)\C=C\C Amb24691794 [0,2,0,0,0,0|2,0,0]=4 2508 B9R0.48 CC(=O)CNC(=O)COC Amb25369821 [0,2,0,0,0,0|2,0,0]=4 2509 B9R0.48 CC(=O)COC(=O)COC Amb24387702 [0,2,0,0,0,0|2,0,0]=4 2510 B9R0.48 CC(=O)COC(=O)OCC Amb25682129 [0,2,0,0,0,0|2,0,0]=4 2511 B9R0.48 CC(=O)OCC(=O)OCC Amb24482663 [0,2,0,0,0,0|2,0,0]=4 2512 B9R0.48 CC(CCC(C)=O)=CCO Amb24656003 [0,2,0,0,0,0|2,0,0]=4 2513 B9R0.48 CC(CCC(C)=O)=NOC Amb24583507 [0,2,0,0,0,0|2,0,0]=4 2514 B9R0.48 CC(CCC(O)=O)=CC#C Amb24629994 [0,2,0,0,0,0|2,0,0]=4 2515 B9R0.48 CC(CCC(O)=O)=CC#N Amb25069291 [0,2,0,0,0,0|2,0,0]=4 2516 B9R0.48 CC(CCC(O)=O)NC=O Amb24602293 [0,2,0,0,0,0|1,0,1]=4 2517 B9R0.48 CCCC(O)CCC(O)=O Amb17689110 [0,2,0,0,0,0|1,0,1]=4 2518 B9R0.48 CCCS(=O)CCC(O)=O Amb18792575 [0,2,0,0,0,0|2,0,0]=4 2519 B9R0.48 CCNC(=O)CCC(=O)C Amb17334212 [0,2,0,0,0,0|2,0,0]=4 2520 B9R0.48 CCNC(=O)CCC(=O)Cl Amb17142903 [0,2,0,0,0,0|2,0,0]=4 2521 B9R0.48 CCNC(=O)CCC(=O)N Amb17142864 [0,2,0,0,0,0|2,0,0]=4 2522 B9R0.48 CCNC(=O)NCC(=O)O Amb1129570 [0,2,0,0,0,0|2,0,0]=4 2523 B9R0.48 CCNC(=O)SCC(O)=O Amb24390827 [0,2,0,0,0,0|2,0,0]=4 2524 B9R0.48 CCOC(=O)C#CC(O)=O Amb25087505 [0,2,0,0,0,0|0,0,2]=4 2525 B9R0.48 CCOC(=O)CCB(O)O Amb25244100 [0,2,0,0,0,0|1,0,1]=4 2526 B9R0.48 CCOC(=O)CCC(=O)O Amb1151260 [0,2,0,0,0,0|0,0,0]=2 2527 B9R0.48 CCOC(=O)CCC(N)=N Amb24460710 [0,2,0,0,0,0|2,0,0]=4 2528 B9R0.48 CCOC(=O)CCC(N)=S Amb24479705 [0,2,0,0,0,0|1,1,0]=4 2529 B9R0.48 CCOC(=O)CCS(C)=O Amb18788306 [0,2,0,0,0,0|2,0,0]=4 2530 B9R0.48 CCOC(=O)CCS(O)=O Amb24551974 [0,2,0,0,0,0|1,0,0]=3 2531 B9R0.48 CCOC(=O)CC[N+]([O-])=O Amb22739667 [0,2,0,0,0,0|1,0,1]=4 2532 B9R0.48 CCOC(=O)CNC(=O)C Amb1195867 [0,2,0,0,0,0|2,0,0]=4 2533 B9R0.48 CCOC(=O)CNC(=O)N Amb2438049 [0,2,0,0,0,0|2,0,0]=4 2534 B9R0.48 CCOC(=O)COC(N)=O Amb25147628 [0,2,0,0,0,0|2,0,0]=4 2535 B9R0.48 CCOC(=O)CSC(=O)Cl Amb25174187 [0,2,0,0,0,0|2,0,0]=4 2536 B9R0.48 CCOC(=O)NCC(=O)Cl Amb25277113 [0,2,0,0,0,0|2,0,0]=4 2537 B9R0.48 CCOC(=O)OCC(O)=O Amb25367281 [0,2,0,0,0,0|1,0,0]=3 2538 B9R0.48 CCOC(=O)SCC(O)=O Amb24726215 [0,2,0,0,0,0|1,0,0]=3 2539 B9R0.48 CCOC(=O)[13CH2][15NH]C(=O)N Amb17614999 [0,2,0,0,0,0|2,0,0]=4 2540 B9R0.48 CCOC(=O)\C=C/C(O)=O Amb24462678 [0,2,0,0,0,0|0,0,2]=4 2541 B9R0.48 CCOC(=O)\C=C\C(=O)O Amb2189151 [0,2,0,0,0,0|0,0,2]=4 2542 B9R0.48 CCOC(=O)\C=C\C(O)=O Amb22351272 [0,2,0,0,0,0|0,0,2]=4 2543 B9R0.48 CCOC(C)CCC(O)=O Amb24690847 [0,2,0,0,0,0|1,0,1]=4 2544 B9R0.48 CCSC(=O)CCC(O)=O Amb24482232 [0,2,0,0,0,0|0,1,0]=3 2545 B9R0.48 CCSC(=O)NCC(O)=O Amb25295471 [0,2,0,0,0,0|1,1,0]=4 2546 B9R0.48 CNCC(=O)NCC(O)=O Amb19010138 [0,2,0,0,0,0|2,0,0]=4 2547 B9R0.48 CNCC(=O)OCC(O)=O Amb25366854 [0,2,0,0,0,0|2,0,0]=4 2548 B9R0.48 CNCC(=O)SCC(O)=O Amb24550580 [0,2,0,0,0,0|2,0,0]=4 2549 B9R0.48 CNCC(O)CCC(O)=O Amb24745159 [0,2,0,0,0,0|1,0,1]=4 2550 B9R0.48 COCC(=O)NCC(=O)O Amb1118442 [0,2,0,0,0,0|1,0,0]=3 2551 B9R0.48 COCC(=O)NCC(N)=O Amb25066089 [0,2,0,0,0,0|2,0,0]=4 2552 B9R0.48 COCC(=O)\C=C\C(O)=O Amb25835230 [0,2,0,0,0,0|0,0,2]=4 2553 B9R0.48 COCC(C)CCC(O)=O Amb25340432 [0,2,0,0,0,0|1,0,1]=4 2554 B9R0.48 CONC(=O)CCC(C)O Amb24340509 [0,2,0,0,0,0|1,0,1]=4 2555 B9R0.48 CONC(=O)\C=C\C(O)=O Amb25791595 [0,2,0,0,0,0|0,0,2]=4 2556 B9R0.48 C[C@@H](CC=O)CCC(O)=O Amb24505022 [0,2,0,0,0,0|1,0,1]=4 2557 B9R0.48 C\C(\CCC(C)=O)=C/CO Amb25142674 [0,2,0,0,0,0|2,0,0]=4 2558 B9R0.48 C\C(\CCC(C)=O)=C\CO Amb25172142 [0,2,0,0,0,0|2,0,0]=4 2559 B9R0.48 C\C(\CCC(O)=O)=C/C#C Amb24460669 [0,2,0,0,0,0|2,0,0]=4 2560 B9R0.48 C\C(\CCC(O)=O)=C/CO Amb25694396 [0,2,0,0,0,0|1,0,0]=3 2561 B9R0.48 C\C(\CCC(O)=O)=C\SC Amb24520805 [0,2,0,0,0,0|1,1,0]=4 2562 B9R0.48 C\C=C\C(=O)CCC(O)=O Amb24620816 [0,2,0,0,0,0|1,0,0]=3 2563 B9R0.48 C\C=C\C(O)CCC(O)=O Amb25275755 [0,2,0,0,0,0|1,0,1]=4 2564 B9R0.48 C\C=C\[C@H](O)CCC(O)=O Amb24538051 [0,2,0,0,0,0|1,0,1]=4 2565 B9R0.48 N#CCC(=O)CCC(O)=O Amb24053663 [0,2,0,0,0,0|1,0,0]=3 2566 B9R0.48 N#CCC(=O)NCC(O)=O Amb25789769 [0,2,0,0,0,0|2,0,0]=4 2567 B9R0.48 N#CCS(=O)CCC(O)=O Amb19007165 [0,2,0,0,0,0|2,0,0]=4 2568 B9R0.48 N#CNC(=O)CCC(O)=O Amb25305300 [0,2,0,0,0,0|1,0,0]=3 2569 B9R0.48 NC(CCC(O)=O)=CC#N Amb24459243 [0,2,0,0,0,0|2,0,0]=4 2570 B9R0.48 NCCC(=O)CCC(O)=O Amb25790735 [0,2,0,0,0,0|1,0,0]=3 2571 B9R0.48 NN(CCO)CCC(O)=O Amb25259231 [0,2,0,0,0,0|2,0,0]=4 2572 B9R0.48 NOCC(=O)NCC(O)=O Amb25359771 [0,2,0,0,0,0|1,0,0]=3 2573 B9R0.48 N[C@@H](CCO)CCC(O)=O Amb25756968 [0,2,0,0,0,0|1,0,1]=4 2574 B9R0.48 N\C(\CCC(O)=O)=C/C#N Amb24053667 [0,2,0,0,0,0|2,0,0]=4 2575 B9R0.48 O/N=C/C(=O)CCC(O)=O Amb17689278 [0,2,0,0,0,0|0,0,0]=2 2576 B9R0.48 OC(=O)CCC(=O)CC=O Amb18644074 [0,2,0,0,0,0|0,0,1]=3 2577 B9R0.48 OC(=O)CCC(=O)CCO Amb25265246 [0,2,0,0,0,0|0,0,0]=2 2578 B9R0.48 OC(=O)CCS(=O)CCF Amb25040432 [0,2,0,0,0,0|2,0,0]=4 2579 B9R0.48 OC(=O)CNC(=O)CCBr Amb25258869 [0,2,0,0,0,0|2,0,0]=4 2580 B9R0.48 OC(=O)CNC(=O)CCO Amb24745672 [0,2,0,0,0,0|1,0,0]=3 2581 B9R0.48 OC(=O)CNC(=O)CCS Amb18126369 [0,2,0,0,0,0|1,1,0]=4 2582 B9R0.48 OC(=O)COC(=O)CCCl Amb25241988 [0,2,0,0,0,0|2,0,0]=4 2583 B9R0.48 OC(=O)COC(=O)CCS Amb24482372 [0,2,0,0,0,0|1,1,0]=4 2584 B9R0.48 OC(=O)\C=C\C(=O)\C=N\O Amb24524635 [0,2,0,0,0,0|0,0,2]=4 2585 B9R0.48 OC(=O)\C=C\C(\O)=C\C=O Amb24469239 [0,2,0,0,0,0|0,0,2]=4 2586 B9R0.48 OC(CCS)CCC(O)=O Amb25320980 [0,2,0,0,0,0|0,1,1]=4 2587 B9R0.48 OCC[C@H](O)CCC(O)=O Amb25843738 [0,2,0,0,0,0|0,0,2]=4 2588 B9R0.48 [N-]=[N+]=NC(=O)CCC(N)=O Amb24477439 [0,2,0,0,0,0|2,0,0]=4 2589 B9R0.48 [N-]=[N+]=NC(=O)CCC(O)=O Amb25690420 [0,2,0,0,0,0|1,0,0]=3 2590 B9R0.64 CC(C)(CCC(O)=O)C=O Amb18644118 [0,2,0,0,0,0|1,0,1]=4 2591 B9R0.64 CC(C)(CCC(O)=O)N=O Amb24428514 [0,2,0,0,0,0|1,0,1]=4 2592 B9R0.64 CC(Cl)(CCC(O)=O)N=O Amb24423829 [0,2,0,0,0,0|1,0,1]=4 2593 B9R0.64 CC(O)(CCC(O)=O)CO Amb25108439 [0,2,0,0,0,0|0,0,2]=4 2594 B9R0.64 CCC(C)(O)CCC(O)=O Amb25317242 [0,2,0,0,0,0|1,0,1]=4 2595 B9R0.64 CC[C@@](C)(O)CCC(O)=O Amb24461550 [0,2,0,0,0,0|1,0,1]=4 2596 B9R0.64 COP(C)(=O)CCC(C)=O Amb25707535 [0,2,0,0,0,0|2,0,0]=4 2597 B9R0.64 COP(C)(=O)CCC(N)=O Amb24633997 [0,2,0,0,0,0|2,0,0]=4 2598 B9R0.64 COP(C)(=O)CCC(O)=O Amb25288153 [0,2,0,0,0,0|1,0,0]=3 2599 B9R0.64 COP(O)(=O)CCC(C)=O Amb24435493 [0,2,0,0,0,0|2,0,0]=4 2600 B9R0.64 NCC(O)(O)CCC(O)=O Amb24401314 [0,2,0,0,0,0|0,0,2]=4 2601 B9R0.64 NCP(=O)(CCC(=O)O)O Amb1807904 [0,2,0,0,0,0|1,0,0]=3 2602 B9R0.64 NNS(=O)(=O)CCC(O)=O Amb25373529 [0,2,0,0,0,0|1,0,1]=4 2603 B9R0.64 OCP(O)(=O)CCC(O)=O Amb24482433 [0,2,0,0,0,0|1,0,0]=3 2604 B9R0.64 ONS(=O)(=O)CCC(O)=O Amb25145658 [0,2,0,0,0,0|1,0,0]=3 2605 B9R0.10 CC(C)(O)C(O)CC(O)=O Amb25808868 [0,2,0,0,0,0|1,0,1]=4 2606 B9R0.10 CC(CC(O)=O)P(C)(O)=O Amb25059136 [0,2,0,0,0,0|1,0,0]=3 2607 B9R0.10 CC(CC(O)=O)S(C)(=O)=O Amb18971621 [0,2,0,0,0,0|1,0,1]=4 2608 B9R0.10 CN(CC(O)=O)P(O)(O)=O Amb24651000 [0,2,0,0,0,0|2,0,0]=4 2609 B9R0.10 C[C@H](CC(O)=O)S(O)(=O)=O Amb25210783 [0,2,0,0,0,0|1,0,0]=3 2610 B9R0.10 NC(CC(N)=O)P(O)(O)=O Amb24429099 [0,2,0,0,0,0|2,0,0]=4 2611 B9R0.10 N[C@@H](CC(N)=O)P(O)(O)=O Amb25069249 [0,2,0,0,0,0|2,0,0]=4 2612 B9R0.10 N[C@@H](CC(O)=O)P(O)(O)=O Amb25322981 [0,2,0,0,0,0|1,0,0]=3 2613 B9R0.11 CC(=C)C(C)(C)CC(O)=O Amb25703730 [0,2,0,0,0,0|2,0,0]=4 2614 B9R0.11 CC(=C)C(C)(N)CC(O)=O Amb22641962 [0,2,0,0,0,0|2,0,0]=4 2615 B9R0.11 CC(=C)CC(C)(O)C(O)=O Amb24763776 [0,2,0,0,0,0|2,0,0]=4 2616 B9R0.11 CC(=C)C[C@@](C)(F)C(O)=O Amb25378746 [0,2,0,0,0,0|2,0,0]=4 2617 B9R0.11 CC(=O)C(C)(Br)CC(O)=O Amb24682759 [0,2,0,0,0,0|1,0,0]=3 2618 B9R0.11 CC(=O)C(C)(C)CC(=O)Cl Amb24690787 [0,2,0,0,0,0|2,0,0]=4 2619 B9R0.11 CC(=O)C(C)(C)CC(C)=O Amb25771077 [0,2,0,0,0,0|2,0,0]=4 2620 B9R0.11 CC(=O)C(C)(O)CC(O)=O Amb25733298 [0,2,0,0,0,0|1,0,0]=3 2621 B9R0.11 CC(=O)CC(C)(C)C(N)=O Amb25737091 [0,2,0,0,0,0|2,0,0]=4 2622 B9R0.11 CC(=O)CC(C)(C)C(O)=O Amb18644092 [0,2,0,0,0,0|1,0,0]=3 2623 B9R0.11 CC(=O)NC(C(=O)O)(C)C Amb13952726 [0,2,0,0,0,0|2,0,0]=4 2624 B9R0.11 CC(=O)NC(O)(Cl)C(O)=O Amb25772842 [0,2,0,0,0,0|2,0,0]=4 2625 B9R0.11 CC(=O)N[C@](C)(S)C(O)=O Amb25793169 [0,2,0,0,0,0|2,0,0]=4 2626 B9R0.11 CC(=O)OC(C)(C)C(O)=O Amb18644243 [0,2,0,0,0,0|2,0,0]=4 2627 B9R0.11 CC(=O)SC(C(=O)O)(C)C Amb17607677 [0,2,0,0,0,0|2,0,0]=4 2628 B9R0.11 CC(=O)[C@](C)(O)CC(C)=O Amb25738871 [0,2,0,0,0,0|2,0,0]=4 2629 B9R0.11 CC(=S)C(C)(C)CC(O)=O Amb25227469 [0,2,0,0,0,0|1,1,0]=4 2630 B9R0.11 CC(C)(CC(=O)Cl)C(=O)Cl Amb24528594 [0,2,0,0,0,0|2,0,0]=4 2631 B9R0.11 CC(C)(CC(=O)Cl)C(O)=O Amb25211275 [0,2,0,0,0,0|1,0,0]=3 2632 B9R0.11 CC(C)(CC(N)=O)C(O)=O Amb24721912 [0,2,0,0,0,0|1,0,0]=3 2633 B9R0.11 CC(Cl)(CC(O)=O)C(O)=O Amb18126463 [0,2,0,0,0,0|0,0,0]=2 2634 B9R0.11 CC(N)(CC(N)=O)C(N)=O Amb24436628 [0,2,0,0,0,0|2,0,0]=4 2635 B9R0.11 CC(N)(CC(O)=O)C(O)=O Amb22800383 [0,2,0,0,0,0|0,0,0]=2 2636 B9R0.11 CC(N)(CC(O)=O)P(O)=O Amb25701546 [0,2,0,0,0,0|1,0,0]=3 2637 B9R0.11 CC(O)(CC(N)=O)C(O)=O Amb24744548 [0,2,0,0,0,0|1,0,0]=3 2638 B9R0.11 CC(O)(CC(O)=O)C(N)=O Amb24669300 [0,2,0,0,0,0|1,0,0]=3 2639 B9R0.11 CC(O)(CC(O)=O)C(O)=O Amb22352645 [0,2,0,0,0,0|0,0,0]=2 2640 B9R0.11 CC(O)(CC([O-])=O)C([O-])=O Amb22353060 [0,2,0,0,0,0|0,0,2]=4 2641 B9R0.11 CC(O)CC(C)(C)C(O)=O Amb25230577 [0,2,0,0,0,0|1,0,1]=4 2642 B9R0.11 CC(O)CC(C)(O)C(O)=O Amb25265252 [0,2,0,0,0,0|1,0,1]=4 2643 B9R0.11 CC(S)(CC(O)=O)C(O)=O Amb25053889 [0,2,0,0,0,0|0,0,0]=2 2644 B9R0.11 C[C@@](N)(CC(=C)F)C(O)=O Amb24479080 [0,2,0,0,0,0|2,0,0]=4 2645 B9R0.11 C[C@@](N)(CC(N)=O)C(O)=O Amb22225025 [0,2,0,0,0,0|1,0,0]=3 2646 B9R0.11 C[C@@](O)(CC(O)=O)C(O)=O Amb22336254 [0,2,0,0,0,0|0,0,0]=2 2647 B9R0.11 NC(=O)C(F)(F)CC(O)=O Amb25109736 [0,2,0,0,0,0|1,0,0]=3 2648 B9R0.11 NC(N)(CC(O)=O)C(O)=O Amb24460545 [0,2,0,0,0,0|0,0,0]=2 2649 B9R0.11 O=C(Cl)C(F)(F)CC(=O)Cl Amb25211907 [0,2,0,0,0,0|2,0,0]=4 2650 B9R0.11 OC(=O)C(O)(F)CC(O)=O Amb25798979 [0,2,0,0,0,0|0,0,0]=2 2651 B9R0.11 OC(=O)C(S)(S)CC(O)=O Amb22230560 [0,2,0,0,0,0|0,0,0]=2 2652 B9R0.11 OC(=O)CC(C(=O)O)(N)C Amb10807406 [0,2,0,0,0,0|0,0,0]=2 2653 B9R0.11 OC(=O)CC(C(=O)O)(O)O Amb16232015 [0,2,0,0,0,0|0,0,0]=2 2654 B9R0.11 OC(=O)CC(C(=S)N)(C)C Amb17466449 [0,2,0,0,0,0|1,1,0]=4 2655 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C Amb10601663 [0,2,0,0,0,0|0,0,0]=2 2656 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb10601664 [0,2,0,0,0,0|0,0,0]=2 2657 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb17608152 [0,2,0,0,0,0|0,0,0]=2 2658 B9R0.39 C=NC(CC(O)=O)C(O)=O Amb24350770 [0,2,0,0,0,0|0,0,0]=2 2659 B9R0.39 CC(=C)CC(CC)C(O)=O Amb24480742 [0,2,0,0,0,0|2,0,0]=4 2660 B9R0.39 CC(=O)C(CC(C)=O)C#N Amb25129050 [0,2,0,0,0,0|2,0,0]=4 2661 B9R0.39 CC(=O)C(CC(C)=O)C=C Amb24662555 [0,2,0,0,0,0|2,0,0]=4 2662 B9R0.39 CC(=O)C(CC(O)=O)CC Amb24410015 [0,2,0,0,0,0|1,0,0]=3 2663 B9R0.39 CC(=O)C(CC(O)=O)NC Amb18611382 [0,2,0,0,0,0|1,0,0]=3 2664 B9R0.39 CC(=O)CC(CC)C(O)=O Amb18644109 [0,2,0,0,0,0|1,0,0]=3 2665 B9R0.39 CC(=O)CC(NC)C(O)=O Amb25690263 [0,2,0,0,0,0|1,0,0]=3 2666 B9R0.39 CC(=O)NC(C#N)C(O)=O Amb25147351 [0,2,0,0,0,0|2,0,0]=4 2667 B9R0.39 CC(=O)NC(C=C)C(O)=O Amb18124622 [0,2,0,0,0,0|2,0,0]=4 2668 B9R0.39 CC(=O)NC(SC)C(O)=O Amb24482255 [0,2,0,0,0,0|2,0,0]=4 2669 B9R0.39 CC(=O)N[C@@H](CN)C(O)=O Amb24479068 [0,2,0,0,0,0|2,0,0]=4 2670 B9R0.39 CC(=O)N[C@@H](CO)C(O)=O Amb22746917 [0,2,0,0,0,0|2,0,0]=4 2671 B9R0.39 CC(=O)N[C@H](CO)C(O)=O Amb22886955 [0,2,0,0,0,0|2,0,0]=4 2672 B9R0.39 CC(=O)OC(C=C)C(O)=O Amb24410879 [0,2,0,0,0,0|2,0,0]=4 2673 B9R0.39 CC(=O)OC(CC)C(O)=O Amb18644246 [0,2,0,0,0,0|2,0,0]=4 2674 B9R0.39 CC(=O)OC(CN)C(O)=O Amb25082692 [0,2,0,0,0,0|2,0,0]=4 2675 B9R0.39 CC(=O)OC(SC)C(O)=O Amb25061355 [0,2,0,0,0,0|2,0,0]=4 2676 B9R0.39 CC(=O)S[C@@H](CC)C(O)=O Amb24738694 [0,2,0,0,0,0|2,0,0]=4 2677 B9R0.39 CC(O)C(CC(O)=O)CC Amb18831453 [0,2,0,0,0,0|1,0,1]=4 2678 B9R0.39 CC(O)C(CC(O)=O)NC Amb24400678 [0,2,0,0,0,0|1,0,1]=4 2679 B9R0.39 CCC(C(=O)O)CC(=O)O Amb10071696 [0,2,0,0,0,0|0,0,0]=2 2680 B9R0.39 CCC(C(=O)O)NC(=O)C Amb2099651 [0,2,0,0,0,0|2,0,0]=4 2681 B9R0.39 CCC(CP(O)=O)C(O)=O Amb24482481 [0,2,0,0,0,0|1,0,0]=3 2682 B9R0.39 CCN(C(=O)C)CC(=O)O Amb17399887 [0,2,0,0,0,0|2,0,0]=4 2683 B9R0.39 CCN(CC(O)=O)C(N)=O Amb18999255 [0,2,0,0,0,0|2,0,0]=4 2684 B9R0.39 CC[C@@H](NC(N)=O)C(O)=O Amb24715718 [0,2,0,0,0,0|2,0,0]=4 2685 B9R0.39 CC[C@H](CC(O)=O)C(O)=O Amb24643194 [0,2,0,0,0,0|0,0,0]=2 2686 B9R0.39 CC[C@H](NC(N)=O)C(O)=O Amb24538029 [0,2,0,0,0,0|2,0,0]=4 2687 B9R0.39 CC\C(=C/C(O)=O)\C(O)=O Amb18644060 [0,2,0,0,0,0|0,0,2]=4 2688 B9R0.39 CNC(C(=O)O)CC(=O)O Amb1905634 [0,2,0,0,0,0|0,0,0]=2 2689 B9R0.39 CNC(CC(N)=O)C(N)=O Amb25680930 [0,2,0,0,0,0|2,0,0]=4 2690 B9R0.39 CNC(CC(N)=O)C(O)=O Amb18644255 [0,2,0,0,0,0|1,0,0]=3 2691 B9R0.39 CNC(CS(O)=O)C(O)=O Amb25765774 [0,2,0,0,0,0|1,0,0]=3 2692 B9R0.39 CN[C@@H](CC(O)=O)C(O)=O Amb22748003 [0,2,0,0,0,0|0,0,0]=2 2693 B9R0.39 CN[C@@H](CS(O)=O)C(O)=O Amb24482415 [0,2,0,0,0,0|1,0,0]=3 2694 B9R0.39 COC(=CC(O)=O)C(O)=O Amb24615646 [0,2,0,0,0,0|0,0,2]=4 2695 B9R0.39 COC(CC(N)=O)C(N)=O Amb24685112 [0,2,0,0,0,0|2,0,0]=4 2696 B9R0.39 COC(CC(O)=O)C(N)=O Amb23536075 [0,2,0,0,0,0|1,0,0]=3 2697 B9R0.39 COC(CC(O)=O)C(O)=O Amb18124863 [0,2,0,0,0,0|0,0,0]=2 2698 B9R0.39 COC(NC(N)=O)C(O)=O Amb18124866 [0,2,0,0,0,0|2,0,0]=4 2699 B9R0.39 CON(CC(O)=O)C(N)=O Amb24359859 [0,2,0,0,0,0|2,0,0]=4 2700 B9R0.39 CO[C@@H](CC(N)=O)C(N)=O Amb25268728 [0,2,0,0,0,0|2,0,0]=4 2701 B9R0.39 CO[C@@H](CC(O)=O)C(O)=O Amb25122107 [0,2,0,0,0,0|0,0,0]=2 2702 B9R0.39 CO\C(=C/C(O)=O)\C(O)=O Amb24480750 [0,2,0,0,0,0|0,0,2]=4 2703 B9R0.39 CSC(CC(N)=O)C(O)=O Amb25694730 [0,2,0,0,0,0|1,0,0]=3 2704 B9R0.39 CSC(CC(O)=O)C(O)=O Amb18646024 [0,2,0,0,0,0|0,0,0]=2 2705 B9R0.39 CSC(NC(N)=O)C(O)=O Amb18126402 [0,2,0,0,0,0|2,0,0]=4 2706 B9R0.39 CS[C@@H](CC(O)=O)C(O)=O Amb25191487 [0,2,0,0,0,0|0,0,0]=2 2707 B9R0.39 CS[C@H](CC(N)=O)C(O)=O Amb25101496 [0,2,0,0,0,0|1,0,0]=3 2708 B9R0.39 CS[C@H](CC(O)=O)C(O)=O Amb24423669 [0,2,0,0,0,0|0,0,0]=2 2709 B9R0.39 C[C@H](O)[C@@H](CC(O)=O)NC Amb24460369 [0,2,0,0,0,0|1,0,1]=4 2710 B9R0.39 C\C=C(\CC(O)=O)/C(O)=O Amb25292254 [0,2,0,0,0,0|0,0,1]=3 2711 B9R0.39 N#CC(CC(O)=O)C(O)=O Amb24434922 [0,2,0,0,0,0|0,0,0]=2 2712 B9R0.39 NC(=O)C(CC(N)=O)C#N Amb25147452 [0,2,0,0,0,0|2,0,0]=4 2713 B9R0.39 NC(=O)N(CC(O)=O)N=O Amb25683110 [0,2,0,0,0,0|2,0,0]=4 2714 B9R0.39 NC(=O)N[C@@H](CN)C(O)=O Amb25083442 [0,2,0,0,0,0|2,0,0]=4 2715 B9R0.39 NC(=O)N[C@@H](CO)C(O)=O Amb24505082 [0,2,0,0,0,0|2,0,0]=4 2716 B9R0.39 NC(=O)N[C@H](CN)C(O)=O Amb24478873 [0,2,0,0,0,0|2,0,0]=4 2717 B9R0.39 NC(=O)N[C@H](CO)C(O)=O Amb25147528 [0,2,0,0,0,0|2,0,0]=4 2718 B9R0.39 NCC(CC(O)=O)C(O)=O Amb22546423 [0,2,0,0,0,0|0,0,0]=2 2719 B9R0.39 NCC(CC(O)=O)C(O)=O Amb24538047 [0,2,0,0,0,0|0,0,0]=2 2720 B9R0.39 NC[C@H](CC(O)=O)C(O)=O Amb25147272 [0,2,0,0,0,0|0,0,0]=2 2721 B9R0.39 NN[C@@H](CC(O)=O)C(O)=O Amb24117193 [0,2,0,0,0,0|0,0,0]=2 2722 B9R0.39 OC(=O)C(CBr)CC(O)=O Amb22752144 [0,2,0,0,0,0|0,0,0]=2 2723 B9R0.39 OC(=O)C(CC(O)=O)=CBr Amb25225990 [0,2,0,0,0,0|0,0,1]=3 2724 B9R0.39 OC(=O)C(CC(O)=O)=CCl Amb25321956 [0,2,0,0,0,0|0,0,1]=3 2725 B9R0.39 OC(=O)C(CC(O)=O)C=O Amb24732382 [0,2,0,0,0,0|0,0,0]=2 2726 B9R0.39 OC(=O)C(CC(O)=O)NO Amb24685872 [0,2,0,0,0,0|0,0,0]=2 2727 B9R0.39 OC(=O)C(CC(O)=O)NS Amb25808901 [0,2,0,0,0,0|0,0,0]=2 2728 B9R0.39 OC(=O)C(CCl)CC(O)=O Amb25840030 [0,2,0,0,0,0|0,0,0]=2 2729 B9R0.39 OC(=O)C(CS)NS(O)=O Amb24482299 [0,2,0,0,0,0|2,0,0]=4 2730 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24117497 [0,2,0,0,0,0|0,0,0]=2 2731 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24630025 [0,2,0,0,0,0|0,0,0]=2 2732 B9R0.39 OC(=O)\C(=C/C(O)=O)\C=O Amb24568885 [0,2,0,0,0,0|0,0,2]=4 2733 B9R0.39 OC(=O)\C(=C\C(O)=O)\C=O Amb18644051 [0,2,0,0,0,0|0,0,2]=4 2734 B9R0.39 OC(=O)\C(\CBr)=C/C(O)=O Amb24477098 [0,2,0,0,0,0|0,0,2]=4 2735 B9R0.39 OC(=O)\C(\CC(O)=O)=C\Br Amb25758898 [0,2,0,0,0,0|0,0,1]=3 2736 B9R0.39 OC(=O)\C(\CC(O)=O)=N\O Amb24117074 [0,2,0,0,0,0|0,0,1]=3 2737 B9R0.39 OCC(C(=O)O)NC(=O)C Amb1115493 [0,2,0,0,0,0|2,0,0]=4 2738 B9R0.39 OCC(C(=O)O)NC(=O)N Amb1055147 [0,2,0,0,0,0|2,0,0]=4 2739 B9R0.39 OCC(CC(O)=O)C(O)=O Amb24629722 [0,2,0,0,0,0|0,0,0]=2 2740 B9R0.39 SCC(C(=O)O)NC(=O)C Amb1112748 [0,2,0,0,0,0|2,0,0]=4 2741 B9R0.39 SCC(C(=O)O)NC(=O)N Amb1119403 [0,2,0,0,0,0|2,0,0]=4 2742 B9R0.39 SC[C@@H](C(=O)O)NC(=O)N Amb17610484 [0,2,0,0,0,0|2,0,0]=4 2743 B9R0.57 CC(C)(O)CC(N)C(O)=O Amb18644326 [0,2,0,0,0,0|1,0,1]=4 2744 B9R0.57 CC(C)(O)C[C@@H](N)C(O)=O Amb24479570 [0,2,0,0,0,0|1,0,1]=4 2745 B9R0.57 CC(CC(C)(C)O)C(O)=O Amb24529313 [0,2,0,0,0,0|1,0,1]=4 2746 B9R0.57 CC(CS(=O)(=O)Cl)C(O)=O Amb25243850 [0,2,0,0,0,0|1,0,1]=4 2747 B9R0.57 CC(CS(C)(=O)=O)C(O)=O Amb18971622 [0,2,0,0,0,0|1,0,1]=4 2748 B9R0.57 CC(CS(N)(=O)=O)C(O)=O Amb18563379 [0,2,0,0,0,0|1,0,1]=4 2749 B9R0.57 CC(CS(O)(=O)=O)C(O)=O Amb25101588 [0,2,0,0,0,0|1,0,0]=3 2750 B9R0.57 CC(NP(O)(O)=O)C(O)=O Amb25138603 [0,2,0,0,0,0|2,0,0]=4 2751 B9R0.57 CS(=N)(=O)CC(N)C(O)=O Amb24732321 [0,2,0,0,0,0|2,0,0]=4 2752 B9R0.57 CS(=O)(=O)CC(O)C(O)=O Amb24398186 [0,2,0,0,0,0|1,0,1]=4 2753 B9R0.57 C[C@@H](CS(C)(=O)=O)C(O)=O Amb24652197 [0,2,0,0,0,0|1,0,1]=4 2754 B9R0.57 C[C@H](CS(C)(=O)=O)C(O)=O Amb24436447 [0,2,0,0,0,0|1,0,1]=4 2755 B9R0.57 C[C@H](OP(O)(O)=O)C(O)=O Amb24400328 [0,2,0,0,0,0|2,0,0]=4 2756 B9R0.57 C[S@](=N)(=O)C[C@H](N)C(O)=O Amb25749061 [0,2,0,0,0,0|2,0,0]=4 2757 B9R0.57 C[Si](C)(O)CC(N)C(O)=O Amb25060652 [0,2,0,0,0,0|1,1,0]=4 2758 B9R0.57 NC(CS(O)(=O)=O)C(N)=O Amb25803913 [0,2,0,0,0,0|2,0,0]=4 2759 B9R0.57 NC(CS(O)(=O)=O)C(O)=O Amb21929317 [0,2,0,0,0,0|1,0,0]=3 2760 B9R0.57 N[C@@H](CS(=O)(=O)S)C(O)=O Amb24463064 [0,2,0,0,0,0|1,0,1]=4 2761 B9R0.57 N[C@@H](CS(O)(=O)=O)C(N)=O Amb25697195 [0,2,0,0,0,0|2,0,0]=4 2762 B9R0.57 N[C@@H](CS(O)(=O)=O)C(O)=O Amb17942867 [0,2,0,0,0,0|1,0,0]=3 2763 B9R0.57 OC(=O)C(=C)CP(O)(O)=O Amb17785031 [0,2,0,0,0,0|1,0,1]=4 2764 B9R0.57 OC(=O)C(=O)CP(=O)(O)O Amb17619389 [0,2,0,0,0,0|1,0,1]=4 2765 B9R0.57 OC(=O)C(Cl)CS(=O)(=O)Cl Amb25227218 [0,2,0,0,0,0|1,0,1]=4 2766 B9R0.57 OC(=O)C(F)CS(=O)(=O)Cl Amb24595029 [0,2,0,0,0,0|1,0,1]=4 2767 B9R0.57 OC(=O)[C@H](C[C](=O)(O)C)N Amb10604178 [0,2,0,0,0,0|0,0,1]=3 2768 B9R0.57 OC(CS(O)(=O)=O)C(O)=O Amb20247567 [0,2,0,0,0,0|1,0,0]=3 2769 B9R0.57 OC(OP(O)(O)=O)C(O)=O Amb25380880 [0,2,0,0,0,0|2,0,0]=4 2770 B9R0.57 O[C@H](CS(O)(=O)=O)C(O)=O Amb24482388 [0,2,0,0,0,0|1,0,0]=3 2771 B9R0.79 C=C(C(N)C(O)=O)C(N)=O Amb25316245 [0,2,0,0,0,0|1,0,1]=4 2772 B9R0.79 C=C(C(N)C(O)=O)C(O)=O Amb18644186 [0,2,0,0,0,0|0,0,1]=3 2773 B9R0.79 C=C(C(O)=O)C(=C)C(O)=O Amb18643786 [0,2,0,0,0,0|0,0,2]=4 2774 B9R0.79 C=C(C(O)C(O)=O)C(O)=O Amb20671613 [0,2,0,0,0,0|0,0,1]=3 2775 B9R0.79 CC(=C)C(O)C(C)C(O)=O Amb18644101 [0,2,0,0,0,0|2,0,0]=4 2776 B9R0.79 CC(=C)[C@@H](C)[C@H](C)C(O)=O Amb24480381 [0,2,0,0,0,0|2,0,0]=4 2777 B9R0.79 CC(=C)[C@@H](O)[C@H](C)C(O)=O Amb24599978 [0,2,0,0,0,0|2,0,0]=4 2778 B9R0.79 CC(=C)[C@H](C)[C@H](C)C(O)=O Amb25122106 [0,2,0,0,0,0|2,0,0]=4 2779 B9R0.79 CC(=C)[C@H](O)[C@@H](C)C(O)=O Amb25111582 [0,2,0,0,0,0|2,0,0]=4 2780 B9R0.79 CC(=O)C(=C)C(O)C(O)=O Amb24563821 [0,2,0,0,0,0|1,0,1]=4 2781 B9R0.79 CC(=O)C(C)C(C)C(O)=O Amb24401092 [0,2,0,0,0,0|1,0,0]=3 2782 B9R0.79 CC(=O)C(C)C(N)C(O)=O Amb18202116 [0,2,0,0,0,0|1,0,0]=3 2783 B9R0.79 CC(=O)C(C)C(O)C(O)=O Amb25341155 [0,2,0,0,0,0|1,0,0]=3 2784 B9R0.79 CC(=O)C(O)C(C)C(O)=O Amb25255327 [0,2,0,0,0,0|1,0,0]=3 2785 B9R0.79 CC(=O)C(O)C(O)C(O)=O Amb25292189 [0,2,0,0,0,0|1,0,0]=3 2786 B9R0.79 CC(=O)N(C)C(C)C(O)=O Amb18288022 [0,2,0,0,0,0|2,0,0]=4 2787 B9R0.79 CC(=O)N(C)[C@@H](C)C(O)=O Amb25709201 [0,2,0,0,0,0|2,0,0]=4 2788 B9R0.79 CC(=O)[C@@H](C)[C@@H](C)C(C)=O Amb25146730 [0,2,0,0,0,0|2,0,0]=4 2789 B9R0.79 CC(=O)[C@@H](C)[C@H](C)C(O)=O Amb25771163 [0,2,0,0,0,0|1,0,0]=3 2790 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(O)=O Amb25703453 [0,2,0,0,0,0|1,0,0]=3 2791 B9R0.79 CC(=O)[C@@H](O)[C@@H](O)C(C)=O Amb17666645 [0,2,0,0,0,0|2,0,0]=4 2792 B9R0.79 CC(=O)[C@@H](O)[C@H](C)C(O)=O Amb25077192 [0,2,0,0,0,0|1,0,0]=3 2793 B9R0.79 CC(=O)[C@@H](O)[C@H](O)C(C)=O Amb25146821 [0,2,0,0,0,0|2,0,0]=4 2794 B9R0.79 CC(=O)[C@H](C)[C@H](C)C(O)=O Amb25805859 [0,2,0,0,0,0|1,0,0]=3 2795 B9R0.79 CC(=O)[C@H](C)[C@H](O)C(O)=O Amb24376865 [0,2,0,0,0,0|1,0,0]=3 2796 B9R0.79 CC(C(=C)C(O)=O)C(O)=O Amb18644063 [0,2,0,0,0,0|0,0,1]=3 2797 B9R0.79 CC(C(C)C(=O)Cl)C(=O)Cl Amb22347385 [0,2,0,0,0,0|2,0,0]=4 2798 B9R0.79 CC(C(Cl)C(C)=O)C(C)=O Amb24357432 [0,2,0,0,0,0|2,0,0]=4 2799 B9R0.79 CC(C(O)=O)=C(C)C(O)=O Amb24712245 [0,2,0,0,0,0|0,0,2]=4 2800 B9R0.79 CC(C(O)=O)N(C)C(N)=O Amb18962712 [0,2,0,0,0,0|2,0,0]=4 2801 B9R0.79 CC(C(O)C(N)=O)C(O)=O Amb25728281 [0,2,0,0,0,0|1,0,0]=3 2802 B9R0.79 CC(O)C(C)C(N)C(O)=O Amb21953714 [0,2,0,0,0,0|1,0,1]=4 2803 B9R0.79 CC(O)C(C)[C@@H](N)C(O)=O Amb22800202 [0,2,0,0,0,0|1,0,1]=4 2804 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(O)=O Amb24052812 [0,2,0,0,0,0|1,0,1]=4 2805 B9R0.79 CC([C@@H](N)C(O)=O)C(O)=O Amb22745450 [0,2,0,0,0,0|0,0,0]=2 2806 B9R0.79 CC([C@@H]([C@@H](C(=O)O)N)C)O Amb10603785 [0,2,0,0,0,0|1,0,1]=4 2807 B9R0.79 CN(O)C(C)C(C)C(O)=O Amb24540667 [0,2,0,0,0,0|2,0,0]=4 2808 B9R0.79 C[C@@H](O)C(O)[C@H](N)C(O)=O Amb24435507 [0,2,0,0,0,0|1,0,1]=4 2809 B9R0.79 C[C@@H](O)[C@@H](C)[C@@H](N)C(O)=O Amb25693814 [0,2,0,0,0,0|1,0,1]=4 2810 B9R0.79 C[C@@H](O)[C@@H](C)[C@H](N)C(O)=O Amb24340188 [0,2,0,0,0,0|1,0,1]=4 2811 B9R0.79 C[C@@H](O)[C@H](O)[C@@H](O)C(O)=O Amb24482345 [0,2,0,0,0,0|1,0,1]=4 2812 B9R0.79 C[C@@H](O)[C@H](O)[C@H](O)C(O)=O Amb24711187 [0,2,0,0,0,0|1,0,1]=4 2813 B9R0.79 C[C@@H]([C@@H](C)C(O)=O)C(O)=O Amb22801175 [0,2,0,0,0,0|0,0,0]=2 2814 B9R0.79 C[C@@H]([C@H](N)C(O)=O)C(O)=O Amb22756698 [0,2,0,0,0,0|0,0,0]=2 2815 B9R0.79 C[C@H](C(=C)C(O)=O)C(O)=O Amb24480380 [0,2,0,0,0,0|0,0,1]=3 2816 B9R0.79 C[C@H](O)C(C)[C@H](N)C(O)=O Amb22735316 [0,2,0,0,0,0|1,0,1]=4 2817 B9R0.79 C[C@H](O)[C@@H](O)[C@@H](O)C(O)=O Amb25374422 [0,2,0,0,0,0|1,0,1]=4 2818 B9R0.79 C[C@H]([C@@H](C)C(O)=O)C(N)=O Amb25113911 [0,2,0,0,0,0|1,0,0]=3 2819 B9R0.79 C[C@H]([C@@H]([C@@H](C(=O)O)N)C)O Amb17615448 [0,2,0,0,0,0|1,0,1]=4 2820 B9R0.79 C[C@H]([C@H](C)C(N)=O)C(N)=O Amb25091711 [0,2,0,0,0,0|2,0,0]=4 2821 B9R0.79 C[C@H]([C@H](Cl)C(O)=O)C(O)=O Amb25684803 [0,2,0,0,0,0|0,0,0]=2 2822 B9R0.79 C[C@H]([C@H](N)C(O)=O)C(O)=O Amb25324829 [0,2,0,0,0,0|0,0,0]=2 2823 B9R0.79 C\C(\C(O)=O)=C(/C)\C(O)=O Amb18644072 [0,2,0,0,0,0|0,0,2]=4 2824 B9R0.79 C\C(\C(O)=O)=C(\C)/C(O)=O Amb24308873 [0,2,0,0,0,0|0,0,2]=4 2825 B9R0.79 NC(=O)C(Br)C(Br)C(N)=O Amb25243175 [0,2,0,0,0,0|2,0,0]=4 2826 B9R0.79 NC(=O)C(F)C(N)C(O)=O Amb25300324 [0,2,0,0,0,0|1,0,0]=3 2827 B9R0.79 NC(=O)C(F)[C@H](N)C(O)=O Amb24691333 [0,2,0,0,0,0|1,0,0]=3 2828 B9R0.79 NC(=O)C(O)C(F)C(N)=O Amb24710117 [0,2,0,0,0,0|2,0,0]=4 2829 B9R0.79 NC(=O)C(O)C(N)C(O)=O Amb25218088 [0,2,0,0,0,0|1,0,0]=3 2830 B9R0.79 NC(=O)C(O)C(O)C(O)=O Amb24112928 [0,2,0,0,0,0|1,0,0]=3 2831 B9R0.79 NC(=O)C(S)C(S)C(N)=O Amb25804691 [0,2,0,0,0,0|2,0,0]=4 2832 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(O)=O Amb24584998 [0,2,0,0,0,0|1,0,0]=3 2833 B9R0.79 NC(=O)[C@@H](O)[C@@H](O)C(N)=O Amb25738404 [0,2,0,0,0,0|2,0,0]=4 2834 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(O)=O Amb24763774 [0,2,0,0,0,0|1,0,0]=3 2835 B9R0.79 NC(=O)[C@@H](O)[C@H](O)C(O)=O Amb25147369 [0,2,0,0,0,0|1,0,0]=3 2836 B9R0.79 NC(=O)[C@H](N)[C@H](N)C(O)=O Amb24358166 [0,2,0,0,0,0|1,0,0]=3 2837 B9R0.79 NC(=O)[C@H](N)[C@H](O)C(O)=O Amb25789713 [0,2,0,0,0,0|1,0,0]=3 2838 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(N)=O Amb24385859 [0,2,0,0,0,0|2,0,0]=4 2839 B9R0.79 NC(=O)[C@H](O)[C@H](O)C(O)=O Amb24630392 [0,2,0,0,0,0|1,0,0]=3 2840 B9R0.79 NC(=S)C(O)C(O)C(O)=O Amb25855735 [0,2,0,0,0,0|1,1,0]=4 2841 B9R0.79 NC(C(Br)C(O)=O)C(O)=O Amb18657078 [0,2,0,0,0,0|0,0,0]=2 2842 B9R0.79 NC(C(Cl)C(O)=O)C(O)=O Amb18126453 [0,2,0,0,0,0|0,0,0]=2 2843 B9R0.79 NC(C(F)C(O)=O)C(O)=O Amb24061061 [0,2,0,0,0,0|0,0,0]=2 2844 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb18124865 [0,2,0,0,0,0|0,0,0]=2 2845 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb24117894 [0,2,0,0,0,0|0,0,0]=2 2846 B9R0.79 NC(C(O)=O)=C(N)C(O)=O Amb25349480 [0,2,0,0,0,0|0,0,2]=4 2847 B9R0.79 NC(C(O)C(N)=O)C(N)=O Amb25733436 [0,2,0,0,0,0|2,0,0]=4 2848 B9R0.79 NC([C@H](O)C(O)=O)C(O)=O Amb24513602 [0,2,0,0,0,0|0,0,0]=2 2849 B9R0.79 N[C@@H](C(O)C(O)=O)C(O)=O Amb22229324 [0,2,0,0,0,0|0,0,0]=2 2850 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24087715 [0,2,0,0,0,0|0,0,0]=2 2851 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24117974 [0,2,0,0,0,0|0,0,0]=2 2852 B9R0.79 N[C@H]([C@@H](C(=O)O)N)C(=O)O Amb10072362 [0,2,0,0,0,0|0,0,0]=2 2853 B9R0.79 N[C@H]([C@@H](F)C(O)=O)C(O)=O Amb22229006 [0,2,0,0,0,0|0,0,0]=2 2854 B9R0.79 N[C@H]([C@@H](N)C(O)=O)C(O)=O Amb22802394 [0,2,0,0,0,0|0,0,0]=2 2855 B9R0.79 N[C@H]([C@@H](O)C(O)=O)C(O)=O Amb17942870 [0,2,0,0,0,0|0,0,0]=2 2856 B9R0.79 N[C@H]([C@H](F)C(O)=O)C(O)=O Amb24634454 [0,2,0,0,0,0|0,0,0]=2 2857 B9R0.79 N[C@H]([C@H](O)C(N)=O)C(N)=O Amb24359322 [0,2,0,0,0,0|2,0,0]=4 2858 B9R0.79 N\C(\C(O)=O)=C(/N)\C(O)=O Amb24578776 [0,2,0,0,0,0|0,0,2]=4 2859 B9R0.79 OC(=O)C(=O)C(=O)C(O)=O Amb22234966 [0,2,0,0,0,0|0,0,2]=4 2860 B9R0.79 OC(=O)C(C(C(=O)O)C)Cl Amb17594150 [0,2,0,0,0,0|0,0,0]=2 2861 B9R0.79 OC(=O)C(C(C(=O)O)C)N Amb2099482 [0,2,0,0,0,0|0,0,0]=2 2862 B9R0.79 OC(=O)C(C(C(=O)O)C)O Amb17593680 [0,2,0,0,0,0|0,0,0]=2 2863 B9R0.79 OC(=O)C(C(C(=O)O)O)Cl Amb17594225 [0,2,0,0,0,0|0,0,0]=2 2864 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb16224824 [0,2,0,0,0,0|0,0,0]=2 2865 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553366 [0,2,0,0,0,0|0,0,0]=2 2866 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553386 [0,2,0,0,0,0|0,0,0]=2 2867 B9R0.79 OC(=O)C(Cl)=C(Cl)C(O)=O Amb25173036 [0,2,0,0,0,0|0,0,2]=4 2868 B9R0.79 OC(=O)C(F)C(Br)C(O)=O Amb24759132 [0,2,0,0,0,0|0,0,0]=2 2869 B9R0.79 OC(=O)C(F)C(F)C(O)=O Amb24482465 [0,2,0,0,0,0|0,0,0]=2 2870 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22732623 [0,2,0,0,0,0|0,0,0]=2 2871 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22747860 [0,2,0,0,0,0|0,0,0]=2 2872 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22904195 [0,2,0,0,0,0|0,0,0]=2 2873 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24107517 [0,2,0,0,0,0|0,0,0]=2 2874 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24668916 [0,2,0,0,0,0|0,0,0]=2 2875 B9R0.79 OC(=O)[C@@H](Cl)[C@@H](Cl)C(O)=O Amb25146239 [0,2,0,0,0,0|0,0,0]=2 2876 B9R0.79 OC(=O)[C@@H](F)[C@H](Cl)C(O)=O Amb25061294 [0,2,0,0,0,0|0,0,0]=2 2877 B9R0.79 OC(=O)[C@@H](O)[C@@H](O)C(O)=O Amb22230832 [0,2,0,0,0,0|0,0,0]=2 2878 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb19884028 [0,2,0,0,0,0|0,0,0]=2 2879 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22224835 [0,2,0,0,0,0|0,0,0]=2 2880 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22750609 [0,2,0,0,0,0|0,0,0]=2 2881 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22756774 [0,2,0,0,0,0|0,0,0]=2 2882 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800414 [0,2,0,0,0,0|0,0,0]=2 2883 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801138 [0,2,0,0,0,0|0,0,0]=2 2884 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801799 [0,2,0,0,0,0|0,0,0]=2 2885 B9R0.79 OC(=O)[C@H](C(C(=O)O)C)N Amb16232531 [0,2,0,0,0,0|0,0,0]=2 2886 B9R0.79 OC(=O)[C@H](Cl)[C@@H](Cl)C(O)=O Amb24390367 [0,2,0,0,0,0|0,0,0]=2 2887 B9R0.79 OC(=O)[C@H](F)[C@H](Cl)C(O)=O Amb25774512 [0,2,0,0,0,0|0,0,0]=2 2888 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb19884026 [0,2,0,0,0,0|0,0,0]=2 2889 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20240604 [0,2,0,0,0,0|0,0,0]=2 2890 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20670711 [0,2,0,0,0,0|0,0,0]=2 2891 B9R0.79 OC(=O)[C@H](S)[C@@H](S)C(O)=O Amb25374645 [0,2,0,0,0,0|0,0,0]=2 2892 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)N)O Amb17615140 [0,2,0,0,0,0|0,0,0]=2 2893 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)O)O Amb10604195 [0,2,0,0,0,0|0,0,0]=2 2894 B9R0.79 OC(=O)\C(\Br)=C(\Br)/C(O)=O Amb22347940 [0,2,0,0,0,0|0,0,2]=4 2895 B9R0.79 OC(=O)\C(\Cl)=C(\Cl)/C(O)=O Amb18522185 [0,2,0,0,0,0|0,0,2]=4 2896 B9R0.79 OC(=O)\C(\F)=C(\Cl)/C(O)=O Amb24711227 [0,2,0,0,0,0|0,0,2]=4 2897 B9R0.79 OC(=O)\C(\O)=C(/O)\C(O)=O Amb18511532 [0,2,0,0,0,0|0,0,2]=4 2898 B9R0.79 OC(C(C(=O)C)O)C(=O)C Amb17593650 [0,2,0,0,0,0|2,0,0]=4 2899 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] Amb10558451 [0,2,0,0,0,0|0,0,2]=4 2900 B9R0.79 OC(C(F)C(O)=O)C(O)=O Amb24479232 [0,2,0,0,0,0|0,0,0]=2 2901 B9R0.79 OC(C(O)C(=O)Cl)C(=O)Cl Amb25187317 [0,2,0,0,0,0|2,0,0]=4 2902 B9R0.79 OC(C(S)C(O)=O)C(O)=O Amb25776261 [0,2,0,0,0,0|0,0,0]=2 2903 B9R0.79 O[C@@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24524583 [0,2,0,0,0,0|0,0,0]=2 2904 B9R0.79 O[C@@H]([C@H](Br)C(O)=O)C(O)=O Amb24680321 [0,2,0,0,0,0|0,0,0]=2 2905 B9R0.79 O[C@@H]([C@H](F)C(O)=O)C(O)=O Amb24470062 [0,2,0,0,0,0|0,0,0]=2 2906 B9R0.79 O[C@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24390265 [0,2,0,0,0,0|0,0,0]=2 2907 B9R0.79 O[C@H]([C@@H](O)C(=O)Cl)C(=O)Cl Amb25831919 [0,2,0,0,0,0|2,0,0]=4 2908 B9R0.79 O\C(=C(\C(=O)O)/O)\C(=O)O Amb17593679 [0,2,0,0,0,0|0,0,2]=4 2909 B9R0.79 [2H]\C(\C(O)=O)=C(\[2H])/C(O)=O Amb22338640 [0,2,0,0,0,0|0,0,2]=4 2910 B9R0.79 [O-]C(=O)C(O)C(O)C(O)=O Amb20246422 [0,2,0,0,0,0|0,0,1]=3 2911 B9R0.79 [O-]C(=O)C(O)C(O)C(O)=O Amb22052542 [0,2,0,0,0,0|0,0,1]=3 2912 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb19959974 [0,2,0,0,0,0|0,0,2]=4 2913 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb20246805 [0,2,0,0,0,0|0,0,2]=4 2914 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22043187 [0,2,0,0,0,0|0,0,2]=4 2915 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22051664 [0,2,0,0,0,0|0,0,2]=4 2916 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22052534 [0,2,0,0,0,0|0,0,2]=4 2917 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22052640 [0,2,0,0,0,0|0,0,2]=4 2918 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22054182 [0,2,0,0,0,0|0,0,2]=4 2919 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22167369 [0,2,0,0,0,0|0,0,2]=4 2920 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22230382 [0,2,0,0,0,0|0,0,2]=4 2921 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22338780 [0,2,0,0,0,0|0,0,2]=4 2922 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22730412 [0,2,0,0,0,0|0,0,2]=4 2923 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22730657 [0,2,0,0,0,0|0,0,2]=4 2924 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22731372 [0,2,0,0,0,0|0,0,2]=4 2925 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22732246 [0,2,0,0,0,0|0,0,2]=4 2926 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22732893 [0,2,0,0,0,0|0,0,2]=4 2927 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22733947 [0,2,0,0,0,0|0,0,2]=4 2928 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22733989 [0,2,0,0,0,0|0,0,2]=4 2929 B9R0.79 [O-]C(=O)[C@@H](O)[C@@H](O)C([O-])=O Amb22801615 [0,2,0,0,0,0|0,0,2]=4 2930 B9R0.79 [O-]C(=O)[C@@H](O)[C@H](O)C(O)=O Amb22348349 [0,2,0,0,0,0|0,0,1]=3 2931 B9R0.79 [O-]C(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800925 [0,2,0,0,0,0|0,0,1]=3 2932 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C(O)=O Amb22353007 [0,2,0,0,0,0|0,0,1]=3 2933 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22336596 [0,2,0,0,0,0|0,0,2]=4 2934 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22337906 [0,2,0,0,0,0|0,0,2]=4 2935 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348174 [0,2,0,0,0,0|0,0,2]=4 2936 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348226 [0,2,0,0,0,0|0,0,2]=4 2937 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348279 [0,2,0,0,0,0|0,0,2]=4 2938 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22350400 [0,2,0,0,0,0|0,0,2]=4 2939 B9R0.79 [O-]C(C(O)C([O-])=O)C([O-])=O Amb22043193 [0,2,0,0,0,0|0,0,2]=4 2940 B9R0.77 OP(=O)(CCP(=O)(O)O)O Amb10068659 [0,2,0,0,0,0|2,0,0]=4 2941 B9R0.77 OS(=O)(=O)CCS(O)(=O)=O Amb17673404 [0,2,0,0,0,0|2,0,0]=4 2942 B7R1.2 C=C1COC(=O)O1 Amb20248769 [1,0,0,1,0,0|2,0,0]=4 2943 B7R1.2 N=C1CCC(=O)N1 Amb10552414 [1,0,0,1,0,0|2,0,0]=4 2944 B7R1.2 NC1=NCC(=O)O1 Amb24061087 [1,0,0,1,0,0|2,0,0]=4 2945 B7R1.2 NC1CCC(=O)O1 Amb17593085 [1,0,0,1,0,0|1,0,1]=4 2946 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [1,0,0,1,0,0|0,0,2]=4 2947 B7R1.2 O=C1C=CC(=O)O1 Amb22369065 [1,0,0,1,0,0|0,0,2]=4 2948 B7R1.2 O=C1C=C[13C](=O)O1 Amb22367487 [1,0,0,1,0,0|0,0,2]=4 2949 B7R1.2 O=C1CCC(=O)[15NH]1 Amb22338306 [1,0,0,1,0,0|1,0,0]=3 2950 B7R1.2 O=C1CCC(Br)=C1 Amb23399816 [1,0,0,1,0,0|2,0,0]=4 2951 B7R1.2 O=C1CCC(Br)O1 Amb24556526 [1,0,0,1,0,0|1,0,1]=4 2952 B7R1.2 O=C1CCC(Cl)=N1 Amb24712377 [1,0,0,1,0,0|2,0,0]=4 2953 B7R1.2 O=C1CCC(I)=C1 Amb25811714 [1,0,0,1,0,0|2,0,0]=4 2954 B7R1.2 O=C1CC[C@@H](Cl)O1 Amb24710047 [1,0,0,1,0,0|1,0,1]=4 2955 B7R1.2 O=C1CNC(=O)C1 Amb18202984 [1,0,0,1,0,0|2,0,0]=4 2956 B7R1.2 O=C1CSC(=O)C1 Amb22731927 [1,0,0,1,0,0|2,0,0]=4 2957 B7R1.2 O=C1NCC(=O)S1 Amb22372196 [1,0,0,1,0,0|1,1,0]=4 2958 B7R1.2 O=C1OCC(=O)N1 Amb1625991 [1,0,0,1,0,0|2,0,0]=4 2959 B7R1.2 O=C1SCC(=O)N1 Amb1853667 [1,0,0,1,0,0|2,0,0]=4 2960 B7R1.2 O=C1[13CH]=[13CH]C(=O)O1 Amb22353372 [1,0,0,1,0,0|0,0,2]=4 2961 B7R1.2 O=C1[14CH2][14CH2]C(=O)O1 Amb22729170 [1,0,0,1,0,0|0,0,0]=2 2962 B7R1.2 O=C1[15NH][13CH2]C(=O)N1 Amb17615001 [1,0,0,1,0,0|2,0,0]=4 2963 B7R1.2 O=C1[15NH][13CH2][13C](=O)N1 Amb17615000 [1,0,0,1,0,0|2,0,0]=4 2964 B7R1.2 O=[13C]1C=C[13C](=O)O1 Amb22367373 [1,0,0,1,0,0|0,0,2]=4 2965 B7R1.2 O=[13C]1CC[13C](=O)O1 Amb20243426 [1,0,0,1,0,0|0,0,0]=2 2966 B7R1.2 O=[13C]1[13CH2][13CH2][13C](=O)O1 Amb22056174 [1,0,0,1,0,0|0,0,0]=2 2967 B7R1.2 O=[13C]1[13CH]=[13CH][13C](=O)O1 Amb22055653 [1,0,0,1,0,0|0,0,2]=4 2968 B7R1.2 OC1CC(=O)CC1 Amb22057378 [1,0,0,1,0,0|1,0,1]=4 2969 B7R1.2 OC1CCC(=O)N1 Amb21963236 [1,0,0,1,0,0|1,0,1]=4 2970 B7R1.2 OC1CCC(=O)O1 Amb22740957 [1,0,0,1,0,0|0,0,1]=3 2971 B7R1.2 OC=1CNC(=O)C1 Amb20623530 [1,0,0,1,0,0|2,0,0]=4 2972 B7R1.3 O=C1CC=CCC1 Amb22365196 [1,0,0,1,0,0|2,0,0]=4 2973 B7R1.3 O=C1COCCC1 Amb19373430 [1,0,0,1,0,0|1,0,1]=4 2974 B7R1.5 C=C1C[C@@H]1CC=O Amb24574015 [1,0,0,1,0,0|2,0,0]=4 2975 B7R1.5 C=C1C[C@H]1CC=O Amb25326113 [1,0,0,1,0,0|2,0,0]=4 2976 B7R1.7 O=CCCC1CO1 Amb25054703 [1,0,0,1,0,0|1,0,1]=4 2977 B7R1.10 C=C1CC(C1)C=O Amb22896623 [1,0,0,1,0,0|2,0,0]=4 2978 B7R1.10 C=C[C@H]1CC(=O)N1 Amb24383478 [1,0,0,1,0,0|2,0,0]=4 2979 B7R1.10 O=C1CC(CI)O1 Amb25169535 [1,0,0,1,0,0|1,0,1]=4 2980 B7R1.10 O=CC1CC(=O)N1 Amb24479772 [1,0,0,1,0,0|1,0,0]=3 2981 B7R1.10 OCC1CC(=O)C1 Amb16231082 [1,0,0,1,0,0|1,0,1]=4 2982 B7R1.10 OCC1CC(=O)N1 Amb22388379 [1,0,0,1,0,0|1,0,1]=4 2983 B7R1.10 OCC1CC(=O)O1 Amb25706008 [1,0,0,1,0,0|0,0,1]=3 2984 B7R1.10 OC[C@@H]1CC(=O)N1 Amb24578924 [1,0,0,1,0,0|1,0,1]=4 2985 B7R1.10 OC[C@H]1CC(=O)O1 Amb25769462 [1,0,0,1,0,0|0,0,1]=3 2986 B7R1.12 C=C1C[C@@H]1C(O)=O Amb24683036 [1,0,0,1,0,0|1,0,0]=3 2987 B7R1.12 C=C1C[C@H]1C(O)=O Amb24368112 [1,0,0,1,0,0|1,0,0]=3 2988 B7R1.12 C[C@@H]1C[C@@H]1C(O)=O Amb25851678 [1,0,0,1,0,0|1,0,1]=4 2989 B7R1.12 C[C@@H]1C[C@H]1C(O)=O Amb22735875 [1,0,0,1,0,0|1,0,1]=4 2990 B7R1.12 C[C@H]1C[C@@H]1C(O)=O Amb22735974 [1,0,0,1,0,0|1,0,1]=4 2991 B7R1.12 C[C@H]1C[C@H]1C(=O)O Amb16233326 [1,0,0,1,0,0|1,0,1]=4 2992 B7R1.12 N[C@@H]1C[C@@H]1C(O)=O Amb25708637 [1,0,0,1,0,0|1,0,1]=4 2993 B7R1.12 N[C@@H]1C[C@H]1C(=O)O Amb2372566 [1,0,0,1,0,0|1,0,1]=4 2994 B7R1.12 N[C@H]1C[C@@H]1C(O)=O Amb25204284 [1,0,0,1,0,0|1,0,1]=4 2995 B7R1.12 OC(=O)C1CC1F Amb22490547 [1,0,0,1,0,0|1,0,1]=4 2996 B7R1.12 OC(=O)C1CC1S Amb20246988 [1,0,0,1,0,0|0,1,1]=4 2997 B7R1.12 OC(=O)[C@@H]1C[C@@H]1Cl Amb25209184 [1,0,0,1,0,0|1,0,1]=4 2998 B7R1.12 OC(=O)[C@@H]1C[C@@H]1F Amb22737600 [1,0,0,1,0,0|1,0,1]=4 2999 B7R1.12 OC(=O)[C@@H]1C[C@@H]1I Amb22756600 [1,0,0,1,0,0|1,0,1]=4 3000 B7R1.12 OC(=O)[C@@H]1C[C@H]1Br Amb24570997 [1,0,0,1,0,0|1,0,1]=4 3001 B7R1.12 OC(=O)[C@@H]1C[C@H]1F Amb22737604 [1,0,0,1,0,0|1,0,1]=4 3002 B7R1.12 OC(=O)[C@H]1C[C@@H]1F Amb22736113 [1,0,0,1,0,0|1,0,1]=4 3003 B7R1.12 OC(=O)[C@H]1C[C@H]1F Amb22738580 [1,0,0,1,0,0|1,0,1]=4 3004 B7R1.12 OC(=O)[C@H]1C[C@H]1I Amb22736654 [1,0,0,1,0,0|1,0,1]=4 3005 B7R1.12 OC1CC1C(O)=O Amb24360896 [1,0,0,1,0,0|0,0,1]=3 3006 B7R1.18 CC(=O)C1CC=C1 Amb25807635 [1,0,0,1,0,0|2,0,0]=4 3007 B7R1.18 CC(=O)C1CCO1 Amb25745997 [1,0,0,1,0,0|1,0,1]=4 3008 B7R1.18 NC(=O)C1CCO1 Amb24478900 [1,0,0,1,0,0|1,0,1]=4 3009 B7R1.18 OC(=O)C1CCN1 Amb2371568 [1,0,0,1,0,0|1,0,1]=4 3010 B7R1.18 OC(=O)C1CCO1 Amb2383526 [1,0,0,1,0,0|0,0,1]=3 3011 B7R1.18 OC(=O)C1CNC1 Amb2444164 [1,0,0,1,0,0|2,0,0]=4 3012 B7R1.18 OC(=O)C1CSC1 Amb20171470 [1,0,0,1,0,0|2,0,0]=4 3013 B7R1.20 CC(=O)CC1CO1 Amb25718439 [1,0,0,1,0,0|1,0,1]=4 3014 B7R1.20 NC(=O)CC1CO1 Amb24654802 [1,0,0,1,0,0|1,0,1]=4 3015 B7R1.20 OC(=O)CC1CO1 Amb25244347 [1,0,0,1,0,0|0,0,1]=3 3016 B9R1.35 C=C1CNC(C1)C(O)=O Amb24594868 [0,0,0,1,0,1|2,0,0]=4 3017 B9R1.35 CC(=O)C1CC(=O)CC1 Amb24423910 [0,0,0,1,0,1|2,0,0]=4 3018 B9R1.35 CC(=O)C1CC(=O)CS1 Amb24061575 [0,0,0,1,0,1|2,0,0]=4 3019 B9R1.35 CC(=O)C1CCC(=O)N1 Amb24432249 [0,0,0,1,0,1|2,0,0]=4 3020 B9R1.35 CC(=O)C1CSC(=O)N1 Amb25706778 [0,0,0,1,0,1|2,0,0]=4 3021 B9R1.35 CC(=O)N1CC(=O)CC1 Amb18832698 [0,0,0,1,0,1|2,0,0]=4 3022 B9R1.35 CC(=O)[C@@H]1CC(=O)OC1 Amb18832647 [0,0,0,1,0,1|2,0,0]=4 3023 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [0,0,0,1,0,1|1,0,0]=3 3024 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 Amb25809473 [0,0,0,1,0,1|2,0,0]=4 3025 B9R1.35 CC(=O)[C@H]1CC(=O)CC1 Amb24407171 [0,0,0,1,0,1|2,0,0]=4 3026 B9R1.35 CC(=O)[C@H]1CC(=O)OC1 Amb24390313 [0,0,0,1,0,1|2,0,0]=4 3027 B9R1.35 CC(=O)[C@H]1CCC(=O)O1 Amb24524212 [0,0,0,1,0,1|1,0,0]=3 3028 B9R1.35 CC(O)C1COC(=O)O1 Amb24592152 [0,0,0,1,0,1|1,0,1]=4 3029 B9R1.35 CC1=CC(SC1)C(=O)O Amb10809142 [0,0,0,1,0,1|2,0,0]=4 3030 B9R1.35 CC1=NC(CO1)C(O)=O Amb20621597 [0,0,0,1,0,1|2,0,0]=4 3031 B9R1.35 CC1=NC(CS1)C(O)=O Amb18124720 [0,0,0,1,0,1|2,0,0]=4 3032 B9R1.35 CC1CCC(O1)C(=O)O Amb17593370 [0,0,0,1,0,1|1,0,1]=4 3033 B9R1.35 CC1CNC(O1)C(O)=O Amb25737834 [0,0,0,1,0,1|1,0,1]=4 3034 B9R1.35 CC=1CC(CC1)C(O)=O Amb18642425 [0,0,0,1,0,1|2,0,0]=4 3035 B9R1.35 CC=1CCC(N1)C(O)=O Amb23438203 [0,0,0,1,0,1|2,0,0]=4 3036 B9R1.35 CC=1CCC([NH+]1)C(O)=O Amb22372048 [0,0,0,1,0,1|2,0,0]=4 3037 B9R1.35 CC=1C[C@H](CC1)C(O)=O Amb24350803 [0,0,0,1,0,1|2,0,0]=4 3038 B9R1.35 CC=1NC(CN1)C(O)=O Amb24599993 [0,0,0,1,0,1|2,0,0]=4 3039 B9R1.35 C[C@@H]1CC[C@@H](O1)C(O)=O Amb22886534 [0,0,0,1,0,1|1,0,1]=4 3040 B9R1.35 C[C@H](O)[C@@H]1CCC(=O)O1 Amb25240058 [0,0,0,1,0,1|1,0,1]=4 3041 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 Amb25236263 [0,0,0,1,0,1|1,0,1]=4 3042 B9R1.35 C[C@H]1CC[C@H](O1)C(O)=O Amb24651587 [0,0,0,1,0,1|1,0,1]=4 3043 B9R1.35 C[C@H]1O[C@H](CS1)C(O)=O Amb24625718 [0,0,0,1,0,1|1,0,1]=4 3044 B9R1.35 N=C1CCC(N1)C(O)=O Amb18642592 [0,0,0,1,0,1|2,0,0]=4 3045 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [0,0,0,1,0,1|1,0,0]=3 3046 B9R1.35 NC(=O)C1CNC(=O)N1 Amb25380692 [0,0,0,1,0,1|2,0,0]=4 3047 B9R1.35 NC(=O)C1CNC(=O)S1 Amb25789527 [0,0,0,1,0,1|1,1,0]=4 3048 B9R1.35 NC(=O)C1COC(=O)N1 Amb24683685 [0,0,0,1,0,1|2,0,0]=4 3049 B9R1.35 NC(=O)N1CC(=O)CC1 Amb25683940 [0,0,0,1,0,1|2,0,0]=4 3050 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [0,0,0,1,0,1|1,0,0]=3 3051 B9R1.35 NC(=O)[C@@H]1CNC(=O)N1 Amb25740143 [0,0,0,1,0,1|2,0,0]=4 3052 B9R1.35 NC(=S)[C@@H]1CCC(=O)O1 Amb25146031 [0,0,0,1,0,1|1,1,0]=4 3053 B9R1.35 NC1=NCC(S1)C(O)=O Amb24105967 [0,0,0,1,0,1|1,1,0]=4 3054 B9R1.35 NC1=N[C@H](CS1)C(O)=O Amb24099777 [0,0,0,1,0,1|2,0,0]=4 3055 B9R1.35 NC=1CC[C@H](N1)C(O)=O Amb25346757 [0,0,0,1,0,1|2,0,0]=4 3056 B9R1.35 NC=1NCC(N1)C(O)=O Amb25146049 [0,0,0,1,0,1|2,0,0]=4 3057 B9R1.35 O=C1CC(CN1)C(=O)Cl Amb24742783 [0,0,0,1,0,1|2,0,0]=4 3058 B9R1.35 O=C1CC(CO1)C(=O)Cl Amb25146217 [0,0,0,1,0,1|2,0,0]=4 3059 B9R1.35 O=C1CC(CS1)C(=O)Cl Amb25689754 [0,0,0,1,0,1|2,0,0]=4 3060 B9R1.35 O=C1CCC(=C1)C(=O)O Amb13883804 [0,0,0,1,0,1|1,0,0]=3 3061 B9R1.35 O=C1CCC(C1)C(=O)Cl Amb25282784 [0,0,0,1,0,1|2,0,0]=4 3062 B9R1.35 O=C1CCC(N1)C(=O)Cl Amb17142869 [0,0,0,1,0,1|2,0,0]=4 3063 B9R1.35 O=C1CCC(N1)C(=O)N Amb17142856 [0,0,0,1,0,1|2,0,0]=4 3064 B9R1.35 O=C1CCC(O1)C(=O)Cl Amb24648754 [0,0,0,1,0,1|1,0,0]=3 3065 B9R1.35 O=C1CCN(N1)C(=O)Cl Amb25720112 [0,0,0,1,0,1|2,0,0]=4 3066 B9R1.35 O=C1CC[C@@H](N1)C(=O)Cl Amb24746659 [0,0,0,1,0,1|2,0,0]=4 3067 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl Amb22747149 [0,0,0,1,0,1|1,0,0]=3 3068 B9R1.35 O=C1CC[C@H](N1)C(=O)O Amb1995036 [0,0,0,1,0,1|1,0,0]=3 3069 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl Amb22388653 [0,0,0,1,0,1|1,0,0]=3 3070 B9R1.35 O=C1CSC(O1)C(=O)Cl Amb25724287 [0,0,0,1,0,1|1,0,0]=3 3071 B9R1.35 O=C1NCC(C1)C(=O)N Amb1803351 [0,0,0,1,0,1|2,0,0]=4 3072 B9R1.35 O=C1NCC(C1)C(=O)O Amb1129202 [0,0,0,1,0,1|1,0,0]=3 3073 B9R1.35 O=C1N[C@@H](CS1)C(=O)Cl Amb25112049 [0,0,0,1,0,1|2,0,0]=4 3074 B9R1.35 O=C1OCC(N1)C(=O)O Amb15701690 [0,0,0,1,0,1|1,0,0]=3 3075 B9R1.35 O=C1SCC(C1)C(=O)O Amb10073724 [0,0,0,1,0,1|1,0,0]=3 3076 B9R1.35 O=C1SC[C@H](N1)C(=O)O Amb1157856 [0,0,0,1,0,1|1,0,0]=3 3077 B9R1.35 OC(=O)C1CC(=O)CS1 Amb24061425 [0,0,0,1,0,1|1,0,0]=3 3078 B9R1.35 OC(=O)C1CC(=O)NN1 Amb18642739 [0,0,0,1,0,1|2,0,0]=4 3079 B9R1.35 OC(=O)C1CC(=O)OC1 Amb22642307 [0,0,0,1,0,1|1,0,0]=3 3080 B9R1.35 OC(=O)C1CC(Cl)=CC1 Amb23594523 [0,0,0,1,0,1|2,0,0]=4 3081 B9R1.35 OC(=O)C1CC=C(Br)O1 Amb25251659 [0,0,0,1,0,1|1,0,0]=3 3082 B9R1.35 OC(=O)C1CCC(=O)N1 Amb22282321 [0,0,0,1,0,1|1,0,0]=3 3083 B9R1.35 OC(=O)C1CCC(=O)O1 Amb20623076 [0,0,0,1,0,1|0,0,0]=2 3084 B9R1.35 OC(=O)C1CCC(=O)S1 Amb23439315 [0,0,0,1,0,1|0,1,0]=3 3085 B9R1.35 OC(=O)C1CCC(=S)N1 Amb24477679 [0,0,0,1,0,1|1,1,0]=4 3086 B9R1.35 OC(=O)C1CNC(=O)O1 Amb24112958 [0,0,0,1,0,1|0,0,0]=2 3087 B9R1.35 OC(=O)C1CNC(=O)S1 Amb24084914 [0,0,0,1,0,1|0,1,0]=3 3088 B9R1.35 OC(=O)C1CNC(=S)S1 Amb25180946 [0,0,0,1,0,1|0,2,0]=4 3089 B9R1.35 OC(=O)C1COC(=O)N1 Amb24288785 [0,0,0,1,0,1|1,0,0]=3 3090 B9R1.35 OC(=O)C1COC(=O)O1 Amb25767974 [0,0,0,1,0,1|0,0,0]=2 3091 B9R1.35 OC(=O)C1CSC(=O)S1 Amb23504458 [0,0,0,1,0,1|0,1,0]=3 3092 B9R1.35 OC(=O)C1OC(=O)CS1 Amb25063335 [0,0,0,1,0,1|0,0,0]=2 3093 B9R1.35 OC(=O)C=1COC(=O)C1 Amb18642559 [0,0,0,1,0,1|1,0,1]=4 3094 B9R1.35 OC(=O)C=1NC(=O)CN1 Amb24387402 [0,0,0,1,0,1|1,0,1]=4 3095 B9R1.35 OC(=O)[C@@H]1C=CC(=O)N1 Amb25140391 [0,0,0,1,0,1|1,0,1]=4 3096 B9R1.35 OC(=O)[C@@H]1CC(=O)CC1 Amb22746923 [0,0,0,1,0,1|1,0,0]=3 3097 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb19516117 [0,0,0,1,0,1|1,0,0]=3 3098 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb22747440 [0,0,0,1,0,1|1,0,0]=3 3099 B9R1.35 OC(=O)[C@@H]1CC(=O)NC1 Amb23439643 [0,0,0,1,0,1|1,0,0]=3 3100 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 Amb24099403 [0,0,0,1,0,1|1,0,0]=3 3101 B9R1.35 OC(=O)[C@@H]1CNC(=O)O1 Amb25146207 [0,0,0,1,0,1|0,0,0]=2 3102 B9R1.35 OC(=O)[C@@H]1COC(=O)N1 Amb19517080 [0,0,0,1,0,1|1,0,0]=3 3103 B9R1.35 OC(=O)[C@H]1CC(=O)CN1 Amb25360885 [0,0,0,1,0,1|1,0,0]=3 3104 B9R1.35 OC(=O)[C@H]1CNC(=O)N1 Amb24079612 [0,0,0,1,0,1|1,0,0]=3 3105 B9R1.35 OC(=O)[C@H]1COC(=O)N1 Amb24340149 [0,0,0,1,0,1|1,0,0]=3 3106 B9R1.35 OC(O)C1CNC(=O)O1 Amb24120430 [0,0,0,1,0,1|0,0,2]=4 3107 B9R1.35 OC1=CC(NN1)C(O)=O Amb25224097 [0,0,0,1,0,1|2,0,0]=4 3108 B9R1.35 OC1CCC(C1)C(O)=O Amb21963572 [0,0,0,1,0,1|1,0,1]=4 3109 B9R1.35 OC1CNC(C1)C(=O)O Amb1151287 [0,0,0,1,0,1|1,0,1]=4 3110 B9R1.35 OC1CN[C@@H](C1)C(O)=O Amb25743296 [0,0,0,1,0,1|1,0,1]=4 3111 B9R1.35 OC1COC(C1)C(O)=O Amb18642869 [0,0,0,1,0,1|1,0,1]=4 3112 B9R1.35 OC1CSC(O1)C(=O)O Amb2432252 [0,0,0,1,0,1|0,0,2]=4 3113 B9R1.35 OC1NC(CS1)C(O)=O Amb25759113 [0,0,0,1,0,1|1,0,1]=4 3114 B9R1.35 O[13C](=O)[13CH]1[13CH2]SC(=S)N1 Amb17620633 [0,0,0,1,0,1|1,1,0]=4 3115 B9R1.35 O[C@@H]1CC[C@@H](C1)C(O)=O Amb22746073 [0,0,0,1,0,1|1,0,1]=4 3116 B9R1.35 O[C@@H]1CC[C@H](C1)C(O)=O Amb22746558 [0,0,0,1,0,1|1,0,1]=4 3117 B9R1.35 O[C@@H]1CC[C@H](N1)C(O)=O Amb24515622 [0,0,0,1,0,1|1,0,1]=4 3118 B9R1.35 O[C@@H]1CNC(C1)C(O)=O Amb25118054 [0,0,0,1,0,1|1,0,1]=4 3119 B9R1.35 O[C@@H]1CN[C@@H](C1)C(O)=O Amb22748218 [0,0,0,1,0,1|1,0,1]=4 3120 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O Amb16230723 [0,0,0,1,0,1|1,0,1]=4 3121 B9R1.35 O[C@@H]1CO[C@@H](C1)C(O)=O Amb24501449 [0,0,0,1,0,1|1,0,1]=4 3122 B9R1.35 O[C@@H]1CO[C@H](C1)C(O)=O Amb24501448 [0,0,0,1,0,1|1,0,1]=4 3123 B9R1.35 O[C@@H]1CS[C@H](O1)C(O)=O Amb25288477 [0,0,0,1,0,1|0,0,2]=4 3124 B9R1.35 O[C@H]1CNC(C1)C(O)=O Amb24682710 [0,0,0,1,0,1|1,0,1]=4 3125 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O Amb1994991 [0,0,0,1,0,1|1,0,1]=4 3126 B9R1.35 [15NH2][13C]1=[15N]C(CS1)C(O)=O Amb22054325 [0,0,0,1,0,1|2,0,0]=4 3127 B9R1.46 C=C1CC1NCC(O)=O Amb24402024 [0,0,0,1,0,1|2,0,0]=4 3128 B9R1.49 O=C1CCC(=O)NCC1 Amb22490261 [0,0,0,1,0,1|2,0,0]=4 3129 B9R1.49 O=C1CCC(=O)OCC1 Amb25723209 [0,0,0,1,0,1|2,0,0]=4 3130 B9R1.49 O=C1CCCC(=O)CC1 Amb25797316 [0,0,0,1,0,1|2,0,0]=4 3131 B9R1.49 O=C1CCOC(=O)C=C1 Amb25759100 [0,0,0,1,0,1|2,0,0]=4 3132 B9R1.49 O=C1CNC(=O)CCC1 Amb25144028 [0,0,0,1,0,1|2,0,0]=4 3133 B9R1.49 O=C1CNC(=O)CCN1 Amb24715756 [0,0,0,1,0,1|2,0,0]=4 3134 B9R1.49 O=C1CNC(=O)NCC1 Amb25772112 [0,0,0,1,0,1|2,0,0]=4 3135 B9R1.53 CC(=O)OC1CC(=O)C1 Amb21961279 [0,0,0,1,0,1|2,0,0]=4 3136 B9R1.53 CC(=O)S[C@@H]1CC(=O)N1 Amb24606560 [0,0,0,1,0,1|2,0,0]=4 3137 B9R1.53 OC(=O)CC1CC(=O)N1 Amb24351879 [0,0,0,1,0,1|1,0,0]=3 3138 B9R1.53 OC(=O)\C=C/1\CC(=O)N1 Amb25845188 [0,0,0,1,0,1|1,0,1]=4 3139 B9R1.53 OC1CC(C1)CC(O)=O Amb24481941 [0,0,0,1,0,1|1,0,1]=4 3140 B9R1.53 OC1CN(C1)CC(O)=O Amb25339150 [0,0,0,1,0,1|1,0,1]=4 3141 B9R1.53 O[C@@H]1C[C@H](C1)CC(O)=O Amb25204858 [0,0,0,1,0,1|1,0,1]=4 3142 B9R1.85 OC(=O)CCC[C@H]1CO1 Amb24427275 [0,0,0,1,0,1|1,0,1]=4 3143 B9R1.161 CC(=C)[C@@H]1C[C@@H]1C(O)=O Amb24514832 [0,0,0,1,0,1|2,0,0]=4 3144 B9R1.161 CC(=O)C1C[C@H]1C(C)=O Amb25319021 [0,0,0,1,0,1|2,0,0]=4 3145 B9R1.161 CC(=O)C1OC1C(O)=O Amb25233192 [0,0,0,1,0,1|1,0,0]=3 3146 B9R1.161 CC(O)C1OC1C(O)=O Amb25227852 [0,0,0,1,0,1|1,0,1]=4 3147 B9R1.161 C[C@@H](O)[C@H]1O[C@@H]1C(O)=O Amb25224671 [0,0,0,1,0,1|1,0,1]=4 3148 B9R1.161 C[C@H](O)[C@@H]1O[C@@H]1C(O)=O Amb25368573 [0,0,0,1,0,1|1,0,1]=4 3149 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [0,0,0,1,0,1|1,0,0]=3 3150 B9R1.161 NC(=O)C1OC1C(O)=O Amb25695985 [0,0,0,1,0,1|1,0,0]=3 3151 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(O)=O Amb24623178 [0,0,0,1,0,1|1,0,0]=3 3152 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(N)=O Amb25273795 [0,0,0,1,0,1|2,0,0]=4 3153 B9R1.161 NC(=O)[C@H]1C[C@@H]1C(N)=O Amb24760759 [0,0,0,1,0,1|2,0,0]=4 3154 B9R1.161 NC(=O)[C@H]1C[C@H]1C(N)=O Amb24671257 [0,0,0,1,0,1|2,0,0]=4 3155 B9R1.161 NC(=O)[C@H]1O[C@H]1C(O)=O Amb25174864 [0,0,0,1,0,1|1,0,0]=3 3156 B9R1.161 O=C(Cl)C1OC1C(=O)Cl Amb24060960 [0,0,0,1,0,1|2,0,0]=4 3157 B9R1.161 OC(=O)C1CC1C(=O)O Amb1350467 [0,0,0,1,0,1|0,0,0]=2 3158 B9R1.161 OC(=O)[C@@H]1C[C@@H]1C(=O)Cl Amb25175103 [0,0,0,1,0,1|1,0,0]=3 3159 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(=O)Cl Amb24402096 [0,0,0,1,0,1|1,0,0]=3 3160 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(O)=O Amb22901897 [0,0,0,1,0,1|0,0,0]=2 3161 B9R1.161 OC(=O)[C@@H]1O[C@H]1C(O)=O Amb22799776 [0,0,0,1,0,1|0,0,0]=2 3162 B9R1.161 OC(=O)[C@H]1O[C@@H]1C(O)=O Amb22262951 [0,0,0,1,0,1|0,0,0]=2 3163 B9R1.161 [O-]C(=O)[C@@H]1N[C@H]1C([O-])=O Amb24120358 [0,0,0,1,0,1|0,0,2]=4 3164 B9R1.161 [O-]C(=O)[C@@H]1O[C@@H]1C(=O)[O-] Amb17608755 [0,0,0,1,0,1|0,0,2]=4 3165 B9R1.161 [O-][N+](=O)[C@@H]1C[C@H]1C(O)=O Amb25109456 [0,0,0,1,0,1|1,0,1]=4 3166 B9R1.161 [O-][N+](=O)[C@H]1C[C@H]1C(O)=O Amb25755764 [0,0,0,1,0,1|1,0,1]=4 3167 B9R1.1 O=C1CCC(=CC1)C=O Amb18642167 [0,1,0,1,0,0|2,0,0]=4 3168 B9R1.55 CC1C(NC1=O)C(O)=O Amb25339232 [0,1,0,1,0,0|1,0,0]=3 3169 B9R1.55 CC1C(OC1=O)C(C)O Amb25177629 [0,1,0,1,0,0|1,0,1]=4 3170 B9R1.55 CN1C(CC1=O)C(O)=O Amb22011579 [0,1,0,1,0,0|1,0,0]=3 3171 B9R1.55 CN1CC(C1=O)C(=O)O Amb17593354 [0,1,0,1,0,0|2,0,0]=4 3172 B9R1.55 N[C@@H]1[C@H](C[C@@H]1O)C(O)=O Amb24514844 [0,1,0,1,0,0|1,0,1]=4 3173 B9R1.67 CC(=O)CC1CCC1=O Amb24434546 [0,1,0,1,0,0|2,0,0]=4 3174 B9R1.67 OC(=O)CN1CCC1=O Amb25368422 [0,1,0,1,0,0|2,0,0]=4 3175 B9R1.69 C=C1CNC(=O)OC1=O Amb25757433 [0,1,0,1,0,0|2,0,0]=4 3176 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [0,1,0,1,0,0|1,0,1]=4 3177 B9R1.69 CC1NC(=O)COC1=O Amb20669551 [0,1,0,1,0,0|2,0,0]=4 3178 B9R1.69 CC1NC(=O)OCC1=O Amb25685634 [0,1,0,1,0,0|2,0,0]=4 3179 B9R1.69 CC1OC(=O)CCC1O Amb24524239 [0,1,0,1,0,0|1,0,1]=4 3180 B9R1.69 CC1OC(=O)CNC1=O Amb25145608 [0,1,0,1,0,0|2,0,0]=4 3181 B9R1.69 CN1CC(=O)CCC1=O Amb23555663 [0,1,0,1,0,0|2,0,0]=4 3182 B9R1.69 C[C@@H]1NC(=O)OCC1=O Amb24745337 [0,1,0,1,0,0|2,0,0]=4 3183 B9R1.69 C[C@H]1OC(=O)CCC1=O Amb25749526 [0,1,0,1,0,0|1,0,0]=3 3184 B9R1.69 C[C@H]1OC(=O)CC[C@@H]1O Amb25350343 [0,1,0,1,0,0|1,0,1]=4 3185 B9R1.69 N[C@H]1CCC(=O)OC1=O Amb24680533 [0,1,0,1,0,0|1,0,1]=4 3186 B9R1.69 O=C1CC(Br)C(=O)CC1 Amb25775016 [0,1,0,1,0,0|2,0,0]=4 3187 B9R1.69 O=C1CC(Cl)C(=O)CC1 Amb24452362 [0,1,0,1,0,0|2,0,0]=4 3188 B9R1.69 O=C1CCC(=O)OC1=O Amb24620117 [0,1,0,1,0,0|0,0,1]=3 3189 B9R1.69 O=C1CCC(Br)C(=O)O1 Amb25680134 [0,1,0,1,0,0|1,0,1]=4 3190 B9R1.69 O=C1CCC(Cl)C(=O)O1 Amb25060552 [0,1,0,1,0,0|1,0,1]=4 3191 B9R1.69 O=C1CN(P)C(=O)CC1 Amb25854386 [0,1,0,1,0,0|2,0,0]=4 3192 B9R1.69 OC1=CC(=O)CCC1=O Amb25046310 [0,1,0,1,0,0|1,0,0]=3 3193 B9R1.69 OC1=CCC(=O)NC1=O Amb25859496 [0,1,0,1,0,0|1,0,1]=4 3194 B9R1.69 OC1CCC(=O)OC1=O Amb25728114 [0,1,0,1,0,0|0,0,1]=3 3195 B9R1.69 OC1COC(=O)CC1O Amb25057673 [0,1,0,1,0,0|1,0,1]=4 3196 B9R1.80 COC(=O)CCC1CO1 Amb25377501 [0,1,0,1,0,0|1,0,1]=4 3197 B9R1.82 C=C(CO)C1CC(=O)N1 Amb25253257 [0,1,0,1,0,0|2,0,0]=4 3198 B9R1.82 CC1CC(O1)C(=O)OC Amb22737249 [0,1,0,1,0,0|1,0,1]=4 3199 B9R1.82 CCC(O)C1CC(=O)O1 Amb24420833 [0,1,0,1,0,0|1,0,1]=4 3200 B9R1.82 CNC(=O)C1CC(=O)C1 Amb23512862 [0,1,0,1,0,0|2,0,0]=4 3201 B9R1.82 COC(=O)C1CC(=C)C1 Amb21962131 [0,1,0,1,0,0|2,0,0]=4 3202 B9R1.82 COC(=O)C1CC(=O)C1 Amb17597687 [0,1,0,1,0,0|1,0,0]=3 3203 B9R1.82 COC(=O)C1CC(=O)N1 Amb24711580 [0,1,0,1,0,0|1,0,0]=3 3204 B9R1.82 COC(=O)C1CC(O)C1 Amb19516177 [0,1,0,1,0,0|1,0,1]=4 3205 B9R1.82 COC(=O)N1CC(=O)C1 Amb24078331 [0,1,0,1,0,0|2,0,0]=4 3206 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Amb22747568 [0,1,0,1,0,0|1,0,0]=3 3207 B9R1.82 COC(=O)[C@@H]1CC(=S)N1 Amb24478569 [0,1,0,1,0,0|1,1,0]=4 3208 B9R1.82 COC(=O)[C@@H]1C[C@@H](O)C1 Amb22746996 [0,1,0,1,0,0|1,0,1]=4 3209 B9R1.82 COC(=O)[C@@H]1C[C@H](O)C1 Amb22754751 [0,1,0,1,0,0|1,0,1]=4 3210 B9R1.82 C[C@@H](CO)[C@H]1CC(=O)O1 Amb24675614 [0,1,0,1,0,0|1,0,1]=4 3211 B9R1.82 C[C@@H]1C[C@H](O1)C(=O)OC Amb24056487 [0,1,0,1,0,0|1,0,1]=4 3212 B9R1.86 C=CC1OC1CC(O)=O Amb25701827 [0,1,0,1,0,0|1,0,1]=4 3213 B9R1.86 C=C[C@H]1O[C@@H]1CC(O)=O Amb25217275 [0,1,0,1,0,0|1,0,1]=4 3214 B9R1.95 CO[C@@H]1C[C@@H](C1)C(O)=O Amb23440276 [0,1,0,1,0,0|1,0,1]=4 3215 B9R1.95 CO[C@@H]1C[C@H](C1)C(O)=O Amb23440277 [0,1,0,1,0,0|1,0,1]=4 3216 B9R1.95 NN=C1CC(C1)C(O)=O Amb23570285 [0,1,0,1,0,0|2,0,0]=4 3217 B9R1.95 OC(=O)C1CC(C1)=NO Amb23452648 [0,1,0,1,0,0|1,0,0]=3 3218 B9R1.95 OCC1CC(C1)C(O)=O Amb22002175 [0,1,0,1,0,0|1,0,1]=4 3219 B9R1.95 OC[C@@H]1C[C@@H](N1)C(O)=O Amb24556421 [0,1,0,1,0,0|1,0,1]=4 3220 B9R1.125 CC1(CO)CCC(=O)O1 Amb24424055 [0,1,0,1,0,0|1,0,1]=4 3221 B9R1.127 CC1(CC1C(O)=O)CO Amb24529046 [0,1,0,1,0,0|1,0,1]=4 3222 B9R1.127 OC[C@@]1(Cl)C[C@H]1C(O)=O Amb24511974 [0,1,0,1,0,0|1,0,1]=4 3223 B9R1.127 OC[C@]1(Cl)C[C@H]1C(O)=O Amb25201489 [0,1,0,1,0,0|1,0,1]=4 3224 B9R1.45 C=C1CC1C(N)C(O)=O Amb24117258 [0,1,0,1,0,0|2,0,0]=4 3225 B9R1.112 NC(CC1CO1)C(O)=O Amb25800055 [0,1,0,1,0,0|1,0,1]=4 3226 B9R1.112 N[C@@H](CC1CO1)C(O)=O Amb25709170 [0,1,0,1,0,0|1,0,1]=4 3227 B9R1.137 OC(CC(O)=O)C1CO1 Amb25854287 [0,1,0,1,0,0|1,0,1]=4 3228 B9R1.152 CC(=O)[C@]1(C)CC(=O)O1 Amb24340260 [0,1,0,1,0,0|1,0,0]=3 3229 B9R1.152 CC1(CC(=O)C1)C(O)=O Amb22406208 [0,1,0,1,0,0|1,0,0]=3 3230 B9R1.152 N[C@]1(C[C@@H](O)C1)C(O)=O Amb25297893 [0,1,0,1,0,0|1,0,1]=4 3231 B9R1.164 CC1(O)CC(C1)C(O)=O Amb19958862 [0,1,0,1,0,0|1,0,1]=4 3232 B9R1.164 C[C@@]1(O)C[C@@H](C1)C(O)=O Amb23440037 [0,1,0,1,0,0|1,0,1]=4 3233 B9R1.164 C[C@@]1(O)C[C@H](C1)C(O)=O Amb23440038 [0,1,0,1,0,0|1,0,1]=4 3234 B9R1.51 OS(=O)(=O)[C@@H]1CC(=O)N1 Amb25090857 [0,1,0,1,0,0|2,0,0]=4 3235 B9R2.35 O=C1NC2C1CC2=O Amb24516342 [0,0,0,2,0,0|2,0,0]=4 3236 B5R0.5 C=C(Br)C(O)=O Amb20620403 [0,0,0,0,2,0|2,0,0]=4 3237 B5R0.5 C=C(Cl)C(O)=O Amb17933971 [0,0,0,0,2,0|2,0,0]=4 3238 B5R0.5 CC(=C)C(O)=O Amb22230681 [0,0,0,0,2,0|2,0,0]=4 3239 B5R0.5 CC(=C)C(O)=O Amb22337777 [0,0,0,0,2,0|2,0,0]=4 3240 B5R0.5 CC(=C)C(O)=O Amb22351305 [0,0,0,0,2,0|2,0,0]=4 3241 B5R0.5 CC(=C)C(O)=O Amb22351871 [0,0,0,0,2,0|2,0,0]=4 3242 B5R0.5 CC(=C)C(O)=O Amb22351927 [0,0,0,0,2,0|2,0,0]=4 3243 B5R0.5 CC(=O)C(=O)[13CH3] Amb10072163 [0,0,0,0,2,0|2,0,0]=4 3244 B5R0.5 CC(=O)C([O-])=O Amb22043412 [0,0,0,0,2,0|1,0,1]=4 3245 B5R0.5 CC(=O)C([O-])=O Amb22053857 [0,0,0,0,2,0|1,0,1]=4 3246 B5R0.5 CC(=O)C([O-])=O Amb22167358 [0,0,0,0,2,0|1,0,1]=4 3247 B5R0.5 CC(=O)C([O-])=O Amb22733838 [0,0,0,0,2,0|1,0,1]=4 3248 B5R0.5 CC(=O)P(O)=O Amb25368211 [0,0,0,0,2,0|2,0,0]=4 3249 B5R0.5 CC(=O)[13C]([O-])=O Amb22351546 [0,0,0,0,2,0|1,0,1]=4 3250 B5R0.5 CC(O)C(O)=O Amb22350027 [0,0,0,0,2,0|1,0,1]=4 3251 B5R0.5 C[13C](=O)C([O-])=O Amb22056112 [0,0,0,0,2,0|1,0,1]=4 3252 B5R0.5 C[13C](=O)[13C](=O)C Amb17610135 [0,0,0,0,2,0|2,0,0]=4 3253 B5R0.5 C[C@@H](O)C(O)=O Amb22799466 [0,0,0,0,2,0|1,0,1]=4 3254 B5R0.5 ClC(=O)C(=O)C Amb17593107 [0,0,0,0,2,0|2,0,0]=4 3255 B5R0.5 FC(=O)C(=O)F Amb10840380 [0,0,0,0,2,0|2,0,0]=4 3256 B5R0.5 N=C(S)C(O)=O Amb18640468 [0,0,0,0,2,0|1,1,0]=4 3257 B5R0.5 NC(=N)C(=O)O Amb10549353 [0,0,0,0,2,0|2,0,0]=4 3258 B5R0.5 NC(=O)C(=O)C Amb17593028 [0,0,0,0,2,0|2,0,0]=4 3259 B5R0.5 NC(=O)C(=O)Cl Amb24377962 [0,0,0,0,2,0|2,0,0]=4 3260 B5R0.5 NC(=O)C([O-])=O Amb22053860 [0,0,0,0,2,0|1,0,1]=4 3261 B5R0.5 NC(=O)C([O-])=O Amb22351608 [0,0,0,0,2,0|1,0,1]=4 3262 B5R0.5 NC(=O)C([O-])=O Amb22730546 [0,0,0,0,2,0|1,0,1]=4 3263 B5R0.5 NC(O)C(O)=O Amb24663706 [0,0,0,0,2,0|1,0,1]=4 3264 B5R0.5 O=C([S-])C(=O)[S-] Amb22730472 [0,0,0,0,2,0|0,2,0]=4 3265 B5R0.5 O=[13C](Cl)[13C](=O)Cl Amb22353781 [0,0,0,0,2,0|2,0,0]=4 3266 B5R0.5 OC(=O)C(=O)O Amb10608980 [0,0,0,0,2,0|0,0,0]=2 3267 B5R0.5 OC(=O)C(=O)O Amb19134307 [0,0,0,0,2,0|0,0,0]=2 3268 B5R0.5 OC(=O)C(=O)S Amb25375340 [0,0,0,0,2,0|0,1,0]=3 3269 B5R0.5 OC(=O)C(O)=O Amb19374136 [0,0,0,0,2,0|0,0,0]=2 3270 B5R0.5 OC(=O)C(O)=O Amb22002537 [0,0,0,0,2,0|0,0,0]=2 3271 B5R0.5 OC(=O)C(O)=O Amb22231343 [0,0,0,0,2,0|0,0,0]=2 3272 B5R0.5 OC(=O)C(O)=O Amb22352057 [0,0,0,0,2,0|0,0,0]=2 3273 B5R0.5 OC(=O)C(O)=O Amb22353291 [0,0,0,0,2,0|0,0,0]=2 3274 B5R0.5 OC(=O)C(O)=O Amb22360650 [0,0,0,0,2,0|0,0,0]=2 3275 B5R0.5 OC(=O)C(O)=O Amb22360667 [0,0,0,0,2,0|0,0,0]=2 3276 B5R0.5 OC(=O)C(O)=O Amb22363275 [0,0,0,0,2,0|0,0,0]=2 3277 B5R0.5 OC(=O)C(O)=O Amb22363302 [0,0,0,0,2,0|0,0,0]=2 3278 B5R0.5 OC(=O)C(O)=O Amb22394874 [0,0,0,0,2,0|0,0,0]=2 3279 B5R0.5 OC(=O)C(O)=O Amb22436461 [0,0,0,0,2,0|0,0,0]=2 3280 B5R0.5 OC(=O)C(O)=O Amb22731645 [0,0,0,0,2,0|0,0,0]=2 3281 B5R0.5 OC(=O)C(O)=O Amb22731888 [0,0,0,0,2,0|0,0,0]=2 3282 B5R0.5 OC(=O)C(O)=O Amb22897045 [0,0,0,0,2,0|0,0,0]=2 3283 B5R0.5 OC(=O)C(O)=O Amb23412252 [0,0,0,0,2,0|0,0,0]=2 3284 B5R0.5 OC(=O)C(S)=S Amb25695615 [0,0,0,0,2,0|0,2,0]=4 3285 B5R0.5 O[13C](=O)[13C](O)=O Amb22369747 [0,0,0,0,2,0|0,0,0]=2 3286 B5R0.5 O[14C](=O)[14C](O)=O Amb22349945 [0,0,0,0,2,0|0,0,0]=2 3287 B5R0.5 [13CH3]C(=O)C([O-])=O Amb22353396 [0,0,0,0,2,0|1,0,1]=4 3288 B5R0.5 [O-]C(=O)C(O)=O Amb20246604 [0,0,0,0,2,0|0,0,1]=3 3289 B5R0.5 [O-]C(=O)C(O)=O Amb22055985 [0,0,0,0,2,0|0,0,1]=3 3290 B5R0.5 [O-]C(=O)C(O)=O Amb22167952 [0,0,0,0,2,0|0,0,1]=3 3291 B5R0.5 [O-]C(=O)C(O)=O Amb22231328 [0,0,0,0,2,0|0,0,1]=3 3292 B5R0.5 [O-]C(=O)C([O-])=O Amb17678768 [0,0,0,0,2,0|0,0,2]=4 3293 B5R0.5 [O-]C(=O)C([O-])=O Amb17943075 [0,0,0,0,2,0|0,0,2]=4 3294 B5R0.5 [O-]C(=O)C([O-])=O Amb17943080 [0,0,0,0,2,0|0,0,2]=4 3295 B5R0.5 [O-]C(=O)C([O-])=O Amb19516140 [0,0,0,0,2,0|0,0,2]=4 3296 B5R0.5 [O-]C(=O)C([O-])=O Amb20246439 [0,0,0,0,2,0|0,0,2]=4 3297 B5R0.5 [O-]C(=O)C([O-])=O Amb20246440 [0,0,0,0,2,0|0,0,2]=4 3298 B5R0.5 [O-]C(=O)C([O-])=O Amb20246449 [0,0,0,0,2,0|0,0,2]=4 3299 B5R0.5 [O-]C(=O)C([O-])=O Amb20246450 [0,0,0,0,2,0|0,0,2]=4 3300 B5R0.5 [O-]C(=O)C([O-])=O Amb20246484 [0,0,0,0,2,0|0,0,2]=4 3301 B5R0.5 [O-]C(=O)C([O-])=O Amb20246489 [0,0,0,0,2,0|0,0,2]=4 3302 B5R0.5 [O-]C(=O)C([O-])=O Amb21963194 [0,0,0,0,2,0|0,0,2]=4 3303 B5R0.5 [O-]C(=O)C([O-])=O Amb22002099 [0,0,0,0,2,0|0,0,2]=4 3304 B5R0.5 [O-]C(=O)C([O-])=O Amb22008847 [0,0,0,0,2,0|0,0,2]=4 3305 B5R0.5 [O-]C(=O)C([O-])=O Amb22008848 [0,0,0,0,2,0|0,0,2]=4 3306 B5R0.5 [O-]C(=O)C([O-])=O Amb22045372 [0,0,0,0,2,0|0,0,2]=4 3307 B5R0.5 [O-]C(=O)C([O-])=O Amb22045383 [0,0,0,0,2,0|0,0,2]=4 3308 B5R0.5 [O-]C(=O)C([O-])=O Amb22045394 [0,0,0,0,2,0|0,0,2]=4 3309 B5R0.5 [O-]C(=O)C([O-])=O Amb22045421 [0,0,0,0,2,0|0,0,2]=4 3310 B5R0.5 [O-]C(=O)C([O-])=O Amb22045450 [0,0,0,0,2,0|0,0,2]=4 3311 B5R0.5 [O-]C(=O)C([O-])=O Amb22045454 [0,0,0,0,2,0|0,0,2]=4 3312 B5R0.5 [O-]C(=O)C([O-])=O Amb22045456 [0,0,0,0,2,0|0,0,2]=4 3313 B5R0.5 [O-]C(=O)C([O-])=O Amb22045460 [0,0,0,0,2,0|0,0,2]=4 3314 B5R0.5 [O-]C(=O)C([O-])=O Amb22045466 [0,0,0,0,2,0|0,0,2]=4 3315 B5R0.5 [O-]C(=O)C([O-])=O Amb22045574 [0,0,0,0,2,0|0,0,2]=4 3316 B5R0.5 [O-]C(=O)C([O-])=O Amb22045860 [0,0,0,0,2,0|0,0,2]=4 3317 B5R0.5 [O-]C(=O)C([O-])=O Amb22045877 [0,0,0,0,2,0|0,0,2]=4 3318 B5R0.5 [O-]C(=O)C([O-])=O Amb22052446 [0,0,0,0,2,0|0,0,2]=4 3319 B5R0.5 [O-]C(=O)C([O-])=O Amb22052448 [0,0,0,0,2,0|0,0,2]=4 3320 B5R0.5 [O-]C(=O)C([O-])=O Amb22052474 [0,0,0,0,2,0|0,0,2]=4 3321 B5R0.5 [O-]C(=O)C([O-])=O Amb22053405 [0,0,0,0,2,0|0,0,2]=4 3322 B5R0.5 [O-]C(=O)C([O-])=O Amb22053543 [0,0,0,0,2,0|0,0,2]=4 3323 B5R0.5 [O-]C(=O)C([O-])=O Amb22053546 [0,0,0,0,2,0|0,0,2]=4 3324 B5R0.5 [O-]C(=O)C([O-])=O Amb22053547 [0,0,0,0,2,0|0,0,2]=4 3325 B5R0.5 [O-]C(=O)C([O-])=O Amb22053562 [0,0,0,0,2,0|0,0,2]=4 3326 B5R0.5 [O-]C(=O)C([O-])=O Amb22053601 [0,0,0,0,2,0|0,0,2]=4 3327 B5R0.5 [O-]C(=O)C([O-])=O Amb22231460 [0,0,0,0,2,0|0,0,2]=4 3328 B5R0.5 [O-]C(=O)C([O-])=O Amb22264699 [0,0,0,0,2,0|0,0,2]=4 3329 B5R0.5 [O-]C(=O)C([O-])=O Amb22338348 [0,0,0,0,2,0|0,0,2]=4 3330 B5R0.5 [O-]C(=O)C([O-])=O Amb22338401 [0,0,0,0,2,0|0,0,2]=4 3331 B5R0.5 [O-]C(=O)C([O-])=O Amb22338445 [0,0,0,0,2,0|0,0,2]=4 3332 B5R0.5 [O-]C(=O)C([O-])=O Amb22363119 [0,0,0,0,2,0|0,0,2]=4 3333 B5R0.5 [O-]C(=O)C([O-])=O Amb22432231 [0,0,0,0,2,0|0,0,2]=4 3334 B5R0.5 [O-]C(=O)C([O-])=O Amb22730020 [0,0,0,0,2,0|0,0,2]=4 3335 B5R0.5 [O-]C(=O)C([O-])=O Amb22730044 [0,0,0,0,2,0|0,0,2]=4 3336 B5R0.5 [O-]C(=O)C([O-])=O Amb22732203 [0,0,0,0,2,0|0,0,2]=4 3337 B5R0.5 [O-]C(=O)C([O-])=O Amb22732260 [0,0,0,0,2,0|0,0,2]=4 3338 B5R0.5 [O-]C(=O)C([O-])=O Amb22732351 [0,0,0,0,2,0|0,0,2]=4 3339 B5R0.5 [O-]C(=O)C([O-])=O Amb22732671 [0,0,0,0,2,0|0,0,2]=4 3340 B5R0.5 [O-]C(=O)C([O-])=O Amb22732891 [0,0,0,0,2,0|0,0,2]=4 3341 B5R0.5 [O-]C(=O)C([O-])=O Amb22733764 [0,0,0,0,2,0|0,0,2]=4 3342 B5R0.5 [O-]C(=O)C([O-])=O Amb22734003 [0,0,0,0,2,0|0,0,2]=4 3343 B5R0.5 [O-][13C](=O)[13C]([O-])=O Amb22337921 [0,0,0,0,2,0|0,0,2]=4 3344 B9R0.55 CC(=C)CCOCC(O)=O Amb18644114 [0,0,0,0,0,2|2,0,0]=4 3345 B9R0.55 CC(=C)\C=C\CCC(O)=O Amb24565556 [0,0,0,0,0,2|2,0,0]=4 3346 B9R0.55 CC(=O)CCCC=C(C)O Amb24627452 [0,0,0,0,0,2|2,0,0]=4 3347 B9R0.55 CC(=O)CCCCC(=O)C Amb17593600 [0,0,0,0,0,2|2,0,0]=4 3348 B9R0.55 CC(=O)CCCCC(N)=O Amb24505160 [0,0,0,0,0,2|2,0,0]=4 3349 B9R0.55 CC(=O)CCCNC(N)=O Amb24333544 [0,0,0,0,0,2|2,0,0]=4 3350 B9R0.55 CC(=O)CCCOC(=O)C Amb1033031 [0,0,0,0,0,2|2,0,0]=4 3351 B9R0.55 CC(=O)CCCOC(=O)Cl Amb25146796 [0,0,0,0,0,2|2,0,0]=4 3352 B9R0.55 CC(=O)CCCSC(C)=O Amb24662493 [0,0,0,0,0,2|2,0,0]=4 3353 B9R0.55 CC(=O)CCC\C=C(\C)/O Amb24546380 [0,0,0,0,0,2|2,0,0]=4 3354 B9R0.55 CC(=O)CCSCC(N)=O Amb24733496 [0,0,0,0,0,2|2,0,0]=4 3355 B9R0.55 CC(=O)CCSCC(O)=O Amb24443138 [0,0,0,0,0,2|1,0,0]=3 3356 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,0,2|1,0,0]=3 3357 B9R0.55 CC(=O)CSCCC(C)=O Amb24361719 [0,0,0,0,0,2|2,0,0]=4 3358 B9R0.55 CC(=O)CSSCC(C)=O Amb24509319 [0,0,0,0,0,2|2,0,0]=4 3359 B9R0.55 CC(=O)C\C=C\CC(C)=O Amb25227383 [0,0,0,0,0,2|2,0,0]=4 3360 B9R0.55 CC(=O)NCC#CC(O)=O Amb24481196 [0,0,0,0,0,2|1,0,1]=4 3361 B9R0.55 CC(=O)NCCNC(=O)C Amb2522644 [0,0,0,0,0,2|2,0,0]=4 3362 B9R0.55 CC(=O)OCCCC(=O)Cl Amb25174238 [0,0,0,0,0,2|2,0,0]=4 3363 B9R0.55 CC(=O)OCCCC(N)=O Amb25333292 [0,0,0,0,0,2|2,0,0]=4 3364 B9R0.55 CC(=O)OCCCC(O)=O Amb24480808 [0,0,0,0,0,2|1,0,0]=3 3365 B9R0.55 CC(=O)OC\C=C\C(O)=O Amb24454652 [0,0,0,0,0,2|1,0,1]=4 3366 B9R0.55 CC(=O)O\C=C\CC(O)=O Amb25844728 [0,0,0,0,0,2|1,0,1]=4 3367 B9R0.55 CC(=O)O\N=C/CC(O)=O Amb24392947 [0,0,0,0,0,2|1,0,1]=4 3368 B9R0.55 CC(Br)=CCCCC(O)=O Amb25289201 [0,0,0,0,0,2|2,0,0]=4 3369 B9R0.55 CC(C)=C=CCCC(O)=O Amb25758070 [0,0,0,0,0,2|2,0,0]=4 3370 B9R0.55 CC(C)=CCCCC(O)=O Amb18643939 [0,0,0,0,0,2|2,0,0]=4 3371 B9R0.55 CC(C)=CCOCC(O)=O Amb18644115 [0,0,0,0,0,2|2,0,0]=4 3372 B9R0.55 CC(Cl)=CCSCC(O)=O Amb25295452 [0,0,0,0,0,2|2,0,0]=4 3373 B9R0.55 CC(O)CCCCC(O)=O Amb18644264 [0,0,0,0,0,2|1,0,1]=4 3374 B9R0.55 CC(O)CCNCC(O)=O Amb25369892 [0,0,0,0,0,2|1,0,1]=4 3375 B9R0.55 CC(O)CC\C=C\C(O)=O Amb24680771 [0,0,0,0,0,2|1,0,1]=4 3376 B9R0.55 CC(O)COCCC(O)=O Amb24746704 [0,0,0,0,0,2|1,0,1]=4 3377 B9R0.55 CC(O)CSCCC(O)=O Amb18792572 [0,0,0,0,0,2|1,0,1]=4 3378 B9R0.55 CC(O)\C=C\CCC(O)=O Amb24453133 [0,0,0,0,0,2|1,0,1]=4 3379 B9R0.55 CP(=O)CCCCC(O)=O Amb25765822 [0,0,0,0,0,2|2,0,0]=4 3380 B9R0.55 CS(=O)CCCCC(O)=O Amb18788305 [0,0,0,0,0,2|2,0,0]=4 3381 B9R0.55 CS(=O)CCNCC(O)=O Amb24396496 [0,0,0,0,0,2|2,0,0]=4 3382 B9R0.55 CS(=O)CCOCC(O)=O Amb24600087 [0,0,0,0,0,2|2,0,0]=4 3383 B9R0.55 CS(=O)NCCCC(O)=O Amb24753135 [0,0,0,0,0,2|2,0,0]=4 3384 B9R0.55 C[C@@H](O)CCCCC(O)=O Amb24427549 [0,0,0,0,0,2|1,0,1]=4 3385 B9R0.55 C[C@H](O)CCCCC(O)=O Amb24671333 [0,0,0,0,0,2|1,0,1]=4 3386 B9R0.55 NC(=N)CCCCC(O)=O Amb25147486 [0,0,0,0,0,2|2,0,0]=4 3387 B9R0.55 NC(=N)CNCCC(O)=O Amb24394430 [0,0,0,0,0,2|2,0,0]=4 3388 B9R0.55 NC(=N)NOCCC(O)=O Amb24409809 [0,0,0,0,0,2|2,0,0]=4 3389 B9R0.55 NC(=O)CCCNC(N)=O Amb24705966 [0,0,0,0,0,2|2,0,0]=4 3390 B9R0.55 NC(=O)CCCOP(O)=O Amb25078195 [0,0,0,0,0,2|2,0,0]=4 3391 B9R0.55 NC(=O)CCOCC(O)=O Amb25146949 [0,0,0,0,0,2|1,0,0]=3 3392 B9R0.55 NC(=O)CC\C=C\C(N)=O Amb25111607 [0,0,0,0,0,2|2,0,0]=4 3393 B9R0.55 NC(=O)CN\C=C\C(O)=O Amb25342855 [0,0,0,0,0,2|1,0,1]=4 3394 B9R0.55 NC(=O)COCCC(N)=O Amb25063003 [0,0,0,0,0,2|2,0,0]=4 3395 B9R0.55 NC(=O)C\C=C\CC(N)=O Amb25856677 [0,0,0,0,0,2|2,0,0]=4 3396 B9R0.55 NC(=O)NCCNC(=O)N Amb1146040 [0,0,0,0,0,2|2,0,0]=4 3397 B9R0.55 NC(=O)OCCNC(N)=O Amb25775544 [0,0,0,0,0,2|2,0,0]=4 3398 B9R0.55 NC(=O)OCCOC(=O)Cl Amb24692809 [0,0,0,0,0,2|2,0,0]=4 3399 B9R0.55 NC(=O)\C=C/SCC(O)=O Amb25061265 [0,0,0,0,0,2|1,0,1]=4 3400 B9R0.55 NC(=O)\C=C\CCC(O)=O Amb25146295 [0,0,0,0,0,2|1,0,0]=3 3401 B9R0.55 O=C(Cl)NCCNC(=O)Cl Amb25835035 [0,0,0,0,0,2|2,0,0]=4 3402 B9R0.55 O=C(Cl)OCCOC(=O)Cl Amb22337529 [0,0,0,0,0,2|2,0,0]=4 3403 B9R0.55 O=C(S)NCCNC(=O)S Amb24476958 [0,0,0,0,0,2|0,2,0]=4 3404 B9R0.55 OB(O)CCSCC(O)=O Amb24652590 [0,0,0,0,0,2|1,0,1]=4 3405 B9R0.55 OC(=O)C#CC#CC(O)=O Amb24426898 [0,0,0,0,0,2|0,0,2]=4 3406 B9R0.55 OC(=O)C=NOCC(O)=O Amb25175100 [0,0,0,0,0,2|0,0,1]=3 3407 B9R0.55 OC(=O)CCC=CC(O)=O Amb20622952 [0,0,0,0,0,2|0,0,0]=2 3408 B9R0.55 OC(=O)CCCC=C(Cl)Cl Amb24441631 [0,0,0,0,0,2|2,0,0]=4 3409 B9R0.55 OC(=O)CCCCC(O)=O Amb22043229 [0,0,0,0,0,2|0,0,0]=2 3410 B9R0.55 OC(=O)CCCCC(O)=O Amb22167453 [0,0,0,0,0,2|0,0,0]=2 3411 B9R0.55 OC(=O)CCCCC(O)=O Amb22336279 [0,0,0,0,0,2|0,0,0]=2 3412 B9R0.55 OC(=O)CCCCC(O)=O Amb22338188 [0,0,0,0,0,2|0,0,0]=2 3413 B9R0.55 OC(=O)CCCCC(O)=O Amb22351345 [0,0,0,0,0,2|0,0,0]=2 3414 B9R0.55 OC(=O)CCCCC(O)=O Amb22351401 [0,0,0,0,0,2|0,0,0]=2 3415 B9R0.55 OC(=O)CCCCC(O)=O Amb22351452 [0,0,0,0,0,2|0,0,0]=2 3416 B9R0.55 OC(=O)CCCCC(O)=O Amb22351586 [0,0,0,0,0,2|0,0,0]=2 3417 B9R0.55 OC(=O)CCCCC(O)=O Amb22353360 [0,0,0,0,0,2|0,0,0]=2 3418 B9R0.55 OC(=O)CCCCC(O)=O Amb22363211 [0,0,0,0,0,2|0,0,0]=2 3419 B9R0.55 OC(=O)CCCNC(=O)N Amb1104859 [0,0,0,0,0,2|1,0,0]=3 3420 B9R0.55 OC(=O)CCCNC(S)=S Amb24482221 [0,0,0,0,0,2|0,2,0]=4 3421 B9R0.55 OC(=O)CC\C=C\C(O)=O Amb24117843 [0,0,0,0,0,2|0,0,0]=2 3422 B9R0.55 OC(=O)CNCCC(O)=O Amb18098292 [0,0,0,0,0,2|0,0,0]=2 3423 B9R0.55 OC(=O)CNCCS(=O)=O Amb25249489 [0,0,0,0,0,2|1,0,1]=4 3424 B9R0.55 OC(=O)CNNCC(O)=O Amb23438062 [0,0,0,0,0,2|0,0,0]=2 3425 B9R0.55 OC(=O)COCCC(O)=O Amb25046530 [0,0,0,0,0,2|0,0,0]=2 3426 B9R0.55 OC(=O)CSCCC(=O)O Amb17594067 [0,0,0,0,0,2|0,0,0]=2 3427 B9R0.55 OC(=O)CSCCC(=S)N Amb17503232 [0,0,0,0,0,2|1,1,0]=4 3428 B9R0.55 OC(=O)C\C=C/CC(O)=O Amb25132103 [0,0,0,0,0,2|0,0,0]=2 3429 B9R0.55 OC(=O)\C=C\C#CC(O)=O Amb25324015 [0,0,0,0,0,2|0,0,2]=4 3430 B9R0.55 OC(=O)\C=C\SCC(O)=O Amb18645625 [0,0,0,0,0,2|0,0,1]=3 3431 B9R0.55 O[13C](=O)CCCC[13C](O)=O Amb22338172 [0,0,0,0,0,2|0,0,0]=2 3432 B9R0.55 [O-]C(=O)CCCCC(O)=O Amb21934396 [0,0,0,0,0,2|0,0,1]=3 3433 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22168121 [0,0,0,0,0,2|0,0,2]=4 3434 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22230380 [0,0,0,0,0,2|0,0,2]=4 3435 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22732848 [0,0,0,0,0,2|0,0,2]=4 3436 B9R0.55 [O-]C(=O)CSSCC([O-])=O Amb24323547 [0,0,0,0,0,2|0,0,2]=4 3437 B9R0.55 [O-][N+](=O)CCCCC(O)=O Amb24596293 [0,0,0,0,0,2|1,0,1]=4