0 B5R0.1 B(CCC)(O)O TS59317 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C#CCC(=O)O TS03477 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 C(#N)NC(=O)N TS31749 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 C(=CCl)C(=O)O TS31733 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C(=CCl)C(=O)O TS59459 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C(=CI)C(=O)O TS53940 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C(=O)NC(=O)N TS71797 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 C(C#N)C(=O)N TS00078 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 C(C#N)C(=O)O TS71730 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 C(C#N)C(=S)N TS00976 [0,0,0,0,0,0|3,1,0]=4 10 B5R0.1 C(CBr)C(=N)N TS40973 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 C(CBr)C(=O)N TS10109 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 C(CBr)C(=O)O TS09493 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 C(CCl)C(=O)Cl TS00146 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 C(CCl)C(=O)N TS04118 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 C(CCl)C(=O)O TS04159 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 C(CI)C(=O)O TS18918 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 C(CN)C(=O)N TS36032 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 C(CN)C(=O)O TS02667 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 C(CO)C(=O)O TS16373 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 C(CO)[N+](=O)[O-] TS01787 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.1 C(CP(=O)O)N TS94065 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.1 C(CS(=O)O)N TS31804 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 C(CS)C(=O)O TS04091 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.1 C(OC(=O)Cl)Cl TS36381 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 C(SC(=O)N)Cl TS36084 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.1 C=C(CCO)Br TS40970 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 C=CCC(=O)O TS03525 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.1 C=CCP(=O)O TS31725 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 C=CNC(=O)N TS71741 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 C=COC(=O)Cl TS31731 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 C=COC(=O)N TS03553 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 CC#CC(=C)C TS71668 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.1 CC#CC(=O)O TS55183 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.1 CC#CC(C)C TS71688 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.1 CC#C[C@H](C)O TS03495 [0,0,0,0,0,0|1,0,3]=4 36 B5R0.1 CC(=C)CC#N TS03447 [0,0,0,0,0,0|3,0,0]=3 37 B5R0.1 CC(=C)CCO TS71766 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.1 CC(=CC#N)N TS65880 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 CC(=CC=C)C TS03470 [0,0,0,0,0,0|2,0,2]=4 40 B5R0.1 CC(=CC=O)C TS03497 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.1 CC(=CCBr)C TS00408 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.1 CC(=CCCl)C TS00047 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.1 CC(=CCN)C TS04881 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.1 CC(=CCN)C TS63606 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.1 CC(=CCN)C TS70656 [0,0,0,0,0,0|3,0,1]=4 46 B5R0.1 CC(=CCO)C TS71763 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.1 CC(=CCO)Cl TS31734 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.1 CC(=CCS)C TS03985 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.1 CC(=C[Mg]Br)C TS42096 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.1 CC(=C[SiH2]Cl)C TS04849 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.1 CC(=O)C=NO TS03554 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.1 CC(=O)CC#N TS04063 [0,0,0,0,0,0|2,0,0]=2 53 B5R0.1 CC(=O)CCO TS39752 [0,0,0,0,0,0|2,0,0]=2 54 B5R0.1 CC(=O)CCS TS31678 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.1 CC(=O)COC TS03573 [0,0,0,0,0,0|0,1,0]=1 56 B5R0.1 CC(=O)CSC TS31685 [0,0,0,0,0,0|0,0,0]=0 57 B5R0.1 CC(=O)NCO TS08902 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.1 CC(=O)NSC TS31708 [0,0,0,0,0,0|1,0,0]=1 59 B5R0.1 CC(=O)OC=C TS03528 [0,0,0,0,0,0|2,0,1]=3 60 B5R0.1 CC(=O)OC=O TS71794 [0,0,0,0,0,0|3,0,0]=3 61 B5R0.1 CC(=O)OCBr TS16534 [0,0,0,0,0,0|3,0,0]=3 62 B5R0.1 CC(=O)OCCl TS55809 [0,0,0,0,0,0|3,0,0]=3 63 B5R0.1 CC(=O)O[Hg]C TS30965 [0,0,0,0,0,0|2,0,0]=2 64 B5R0.1 CC(=S)NOC TS31706 [0,0,0,0,0,0|1,2,0]=3 65 B5R0.1 CC(C)CC#C TS03469 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.1 CC(C)CC#N TS71700 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.1 CC(C)CC=O TS71746 [0,0,0,0,0,0|3,0,1]=4 68 B5R0.1 CC(C)CCBr TS09985 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.1 CC(C)CCCl TS31743 [0,0,0,0,0,0|3,0,1]=4 70 B5R0.1 CC(C)CCI TS18548 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.1 CC(C)CCN TS71773 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.1 CC(C)CCO TS71804 [0,0,0,0,0,0|3,0,1]=4 73 B5R0.1 CC(C)CCS TS31696 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.1 CC(C)CC[Zn+] TS49167 [0,0,0,0,0,0|3,0,1]=4 75 B5R0.1 CC(C)CNC TS01600 [0,0,0,0,0,0|2,0,1]=3 76 B5R0.1 CC(C)CNN TS04103 [0,0,0,0,0,0|3,0,1]=4 77 B5R0.1 CC(C)CON TS36090 [0,0,0,0,0,0|2,1,1]=4 78 B5R0.1 CC(C)CSC TS31693 [0,0,0,0,0,0|1,0,1]=2 79 B5R0.1 CC(CC#C)O TS03487 [0,0,0,0,0,0|1,0,3]=4 80 B5R0.1 CC(CC#N)Br TS40583 [0,0,0,0,0,0|3,0,1]=4 81 B5R0.1 CC(CC=C)O TS71743 [0,0,0,0,0,0|1,0,3]=4 82 B5R0.1 CC(CC=O)O TS03574 [0,0,0,0,0,0|2,0,2]=4 83 B5R0.1 CC(CCBr)Br TS21967 [0,0,0,0,0,0|3,0,1]=4 84 B5R0.1 CC(CCN)O TS02231 [0,0,0,0,0,0|2,0,2]=4 85 B5R0.1 CC(CCO)N TS60329 [0,0,0,0,0,0|3,0,1]=4 86 B5R0.1 CC(CCO)O TS71832 [0,0,0,0,0,0|2,0,2]=4 87 B5R0.1 CC(CCS)S TS04931 [0,0,0,0,0,0|2,1,1]=4 88 B5R0.1 CC(COC)N TS03608 [0,0,0,0,0,0|1,1,1]=3 89 B5R0.1 CC(COC)O TS71841 [0,0,0,0,0,0|0,1,2]=3 90 B5R0.1 CC=CC(=O)C TS03499 [0,0,0,0,0,0|1,0,1]=2 91 B5R0.1 CC=CC(=O)Cl TS04051 [0,0,0,0,0,0|2,0,1]=3 92 B5R0.1 CC=CC(=O)N TS03508 [0,0,0,0,0,0|2,0,1]=3 93 B5R0.1 CC=CC(=O)O TS03526 [0,0,0,0,0,0|2,0,1]=3 94 B5R0.1 CC=CC(=O)[O-] TS05036 [0,0,0,0,0,0|2,0,1]=3 95 B5R0.1 CC=CC(C)C TS71719 [0,0,0,0,0,0|2,0,2]=4 96 B5R0.1 CC=CC(C)O TS71747 [0,0,0,0,0,0|1,0,3]=4 97 B5R0.1 CCC=C(C)C TS71718 [0,0,0,0,0,0|2,0,1]=3 98 B5R0.1 CCC=C(F)F TS03652 [0,0,0,0,0,0|3,0,1]=4 99 B5R0.1 CCCC(=C)C TS71722 [0,0,0,0,0,0|2,0,0]=2 100 B5R0.1 CCCC(=N)N TS03542 [0,0,0,0,0,0|3,0,0]=3 101 B5R0.1 CCCC(=N)N TS04952 [0,0,0,0,0,0|3,0,0]=3 102 B5R0.1 CCCC(=O)Br TS40964 [0,0,0,0,0,0|2,0,0]=2 103 B5R0.1 CCCC(=O)C TS71754 [0,0,0,0,0,0|1,0,0]=1 104 B5R0.1 CCCC(=O)Cl TS16539 [0,0,0,0,0,0|2,0,0]=2 105 B5R0.1 CCCC(=O)N TS03561 [0,0,0,0,0,0|2,0,0]=2 106 B5R0.1 CCCC(=O)O TS03572 [0,0,0,0,0,0|2,0,0]=2 107 B5R0.1 CCCC(=O)O TS63934 [0,0,0,0,0,0|2,0,0]=2 108 B5R0.1 CCCC(=O)[O-] TS04184 [0,0,0,0,0,0|2,0,0]=2 109 B5R0.1 CCCC(=O)[O-] TS04232 [0,0,0,0,0,0|2,0,0]=2 110 B5R0.1 CCCC(=O)[O-] TS44539 [0,0,0,0,0,0|2,0,0]=2 111 B5R0.1 CCCC(=S)Cl TS37257 [0,0,0,0,0,0|2,1,0]=3 112 B5R0.1 CCCC(=S)O TS04825 [0,0,0,0,0,0|2,0,1]=3 113 B5R0.1 CCCC(C)Br TS09989 [0,0,0,0,0,0|2,0,1]=3 114 B5R0.1 CCCC(C)Cl TS31741 [0,0,0,0,0,0|2,0,1]=3 115 B5R0.1 CCCC(C)I TS18550 [0,0,0,0,0,0|2,0,1]=3 116 B5R0.1 CCCC(C)O TS03596 [0,0,0,0,0,0|1,0,2]=3 117 B5R0.1 CCCC(C)S TS31692 [0,0,0,0,0,0|1,1,1]=3 118 B5R0.1 CCCC(C)[Zn+] TS49166 [0,0,0,0,0,0|2,0,1]=3 119 B5R0.1 CCCC(Cl)Cl TS36206 [0,0,0,0,0,0|3,0,1]=4 120 B5R0.1 CCCN(C)C TS71775 [0,0,0,0,0,0|3,0,0]=3 121 B5R0.1 CCCP(Cl)Cl TS07061 [0,0,0,0,0,0|4,0,0]=4 122 B5R0.1 CCC[C@@H](C)O TS71801 [0,0,0,0,0,0|1,0,2]=3 123 B5R0.1 CCC[C@H](C)O TS71800 [0,0,0,0,0,0|1,0,2]=3 124 B5R0.1 CCC[N+](=O)[O-] TS71821 [0,0,0,0,0,0|3,0,0]=3 125 B5R0.1 CCNC(=N)N TS04994 [0,0,0,0,0,0|4,0,0]=4 126 B5R0.1 CCNC(=O)C TS03563 [0,0,0,0,0,0|2,0,0]=2 127 B5R0.1 CCNC(=O)N TS03591 [0,0,0,0,0,0|3,0,0]=3 128 B5R0.1 CCNC(=S)N TS31687 [0,0,0,0,0,0|3,1,0]=4 129 B5R0.1 CCNC(=[NH2+])N TS56393 [0,0,0,0,0,0|4,0,0]=4 130 B5R0.1 CCNC(C)C TS71777 [0,0,0,0,0,0|3,0,1]=4 131 B5R0.1 CCOC(=C)C TS71753 [0,0,0,0,0,0|3,0,0]=3 132 B5R0.1 CCOC(=O)C TS03585 [0,0,0,0,0,0|2,0,0]=2 133 B5R0.1 CCOC(=O)C TS03625 [0,0,0,0,0,0|2,0,0]=2 134 B5R0.1 CCOC(=O)C TS71827 [0,0,0,0,0,0|2,0,0]=2 135 B5R0.1 CCOC(=O)Cl TS56143 [0,0,0,0,0,0|3,0,0]=3 136 B5R0.1 CCOC(=O)N TS59479 [0,0,0,0,0,0|3,0,0]=3 137 B5R0.1 CCOC(=S)C TS31684 [0,0,0,0,0,0|2,1,0]=3 138 B5R0.1 CCOC(=S)Cl TS36034 [0,0,0,0,0,0|3,1,0]=4 139 B5R0.1 CCOC(C)C TS03595 [0,0,0,0,0,0|3,0,1]=4 140 B5R0.1 CCOC(C)Cl TS04164 [0,0,0,0,0,0|3,0,1]=4 141 B5R0.1 CCO[SiH](C)C TS04048 [0,0,0,0,0,0|3,1,0]=4 142 B5R0.1 CCSC(=S)C TS32440 [0,0,0,0,0,0|2,1,0]=3 143 B5R0.1 CCSC(C)C TS31689 [0,0,0,0,0,0|3,0,1]=4 144 B5R0.1 CN(C)CC#N TS01455 [0,0,0,0,0,0|4,0,0]=4 145 B5R0.1 CN(C)CC=C TS56352 [0,0,0,0,0,0|3,0,1]=4 146 B5R0.1 CN(C)CCBr TS25321 [0,0,0,0,0,0|4,0,0]=4 147 B5R0.1 CN(C)CCN TS00990 [0,0,0,0,0,0|4,0,0]=4 148 B5R0.1 CN(C)CCO TS03600 [0,0,0,0,0,0|4,0,0]=4 149 B5R0.1 CN(C)CCS TS31711 [0,0,0,0,0,0|4,0,0]=4 150 B5R0.1 CN(C)CCS TS37538 [0,0,0,0,0,0|4,0,0]=4 151 B5R0.1 CN(C)CCS TS37540 [0,0,0,0,0,0|4,0,0]=4 152 B5R0.1 CNCC(=O)N TS36031 [0,0,0,0,0,0|2,0,0]=2 153 B5R0.1 CNCC(=O)O TS34582 [0,0,0,0,0,0|2,0,0]=2 154 B5R0.1 CNCC(=O)O TS36080 [0,0,0,0,0,0|2,0,0]=2 155 B5R0.1 CNCC(=O)[O-] TS04231 [0,0,0,0,0,0|2,0,0]=2 156 B5R0.1 COCC(=N)N TS36030 [0,0,0,0,0,0|2,1,0]=3 157 B5R0.1 COCC(=O)O TS03620 [0,0,0,0,0,0|1,1,0]=2 158 B5R0.1 CSCC(=N)N TS31686 [0,0,0,0,0,0|2,0,0]=2 159 B5R0.1 CSCC(=O)N TS93570 [0,0,0,0,0,0|1,0,0]=1 160 B5R0.1 CSCS(=O)C TS05065 [0,0,0,0,0,0|1,0,0]=1 161 B5R0.1 C[C@@H](CC#N)O TS71734 [0,0,0,0,0,0|2,0,2]=4 162 B5R0.1 C[C@@H](CCO)O TS71843 [0,0,0,0,0,0|2,0,2]=4 163 B5R0.1 C[C@@H](COC)N TS03602 [0,0,0,0,0,0|1,1,1]=3 164 B5R0.1 C[C@@H](COC)O TS71834 [0,0,0,0,0,0|0,1,2]=3 165 B5R0.1 C[C@H](CC#N)O TS03507 [0,0,0,0,0,0|2,0,2]=4 166 B5R0.1 C[C@H](CC=C)O TS03535 [0,0,0,0,0,0|1,0,3]=4 167 B5R0.1 C[C@H](CCO)N TS93947 [0,0,0,0,0,0|3,0,1]=4 168 B5R0.1 C[C@H](CCO)O TS71835 [0,0,0,0,0,0|2,0,2]=4 169 B5R0.1 C[C@H](COC)O TS00301 [0,0,0,0,0,0|0,1,2]=3 170 B5R0.1 C[S+](C)CC#C TS48036 [0,0,0,0,0,0|3,0,1]=4 171 B5R0.1 C[SiH](C)CC=C TS03888 [0,0,0,0,0,0|2,1,1]=4 172 B4R0.1 B(CC)(O)O TS56140 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.1 BC(=O)OC TS05627 [1,0,0,0,0,0|1,1,0]=3 174 B4R0.1 C#CC(=O)N TS00217 [1,0,0,0,0,0|1,0,2]=4 175 B4R0.1 C#CC(=O)O TS59821 [1,0,0,0,0,0|1,0,2]=4 176 B4R0.1 C(=O)(N)NN TS00261 [1,0,0,0,0,0|3,0,0]=4 177 B4R0.1 C(=O)(N)NN TS71629 [1,0,0,0,0,0|3,0,0]=4 178 B4R0.1 C(=O)(N)NO TS71637 [1,0,0,0,0,0|2,1,0]=4 179 B4R0.1 C(=O)(SCl)Cl TS05628 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.1 C(=O)C(=O)O TS39873 [1,0,0,0,0,0|1,1,1]=4 181 B4R0.1 C(C(=N)N)Cl TS36385 [1,0,0,0,0,0|3,0,0]=4 182 B4R0.1 C(C(=N)N)N TS56589 [1,0,0,0,0,0|3,0,0]=4 183 B4R0.1 C(C(=O)Br)Br TS65193 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.1 C(C(=O)Cl)Br TS41828 [1,0,0,0,0,0|2,0,0]=3 185 B4R0.1 C(C(=O)Cl)Cl TS31992 [1,0,0,0,0,0|2,0,0]=3 186 B4R0.1 C(C(=O)Cl)F TS64901 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.1 C(C(=O)Cl)I TS38699 [1,0,0,0,0,0|2,0,0]=3 188 B4R0.1 C(C(=O)F)Cl TS03738 [1,0,0,0,0,0|2,0,0]=3 189 B4R0.1 C(C(=O)F)F TS71660 [1,0,0,0,0,0|2,0,0]=3 190 B4R0.1 C(C(=O)N)Br TS55147 [1,0,0,0,0,0|2,0,0]=3 191 B4R0.1 C(C(=O)N)Cl TS71884 [1,0,0,0,0,0|2,0,0]=3 192 B4R0.1 C(C(=O)N)F TS03417 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.1 C(C(=O)N)I TS39674 [1,0,0,0,0,0|2,0,0]=3 194 B4R0.1 C(C(=O)N)N TS36806 [1,0,0,0,0,0|2,0,0]=3 195 B4R0.1 C(C(=O)N)N TS39640 [1,0,0,0,0,0|2,0,0]=3 196 B4R0.1 C(C(=O)N)O TS71626 [1,0,0,0,0,0|1,1,0]=3 197 B4R0.1 C(C(=O)N)S TS03643 [1,0,0,0,0,0|1,0,0]=2 198 B4R0.1 C(C(=O)O)Br TS06335 [1,0,0,0,0,0|2,0,0]=3 199 B4R0.1 C(C(=O)O)Br TS37324 [1,0,0,0,0,0|2,0,0]=3 200 B4R0.1 C(C(=O)O)Br TS37325 [1,0,0,0,0,0|2,0,0]=3 201 B4R0.1 C(C(=O)O)Br TS37462 [1,0,0,0,0,0|2,0,0]=3 202 B4R0.1 C(C(=O)O)Cl TS03683 [1,0,0,0,0,0|2,0,0]=3 203 B4R0.1 C(C(=O)O)F TS03424 [1,0,0,0,0,0|2,0,0]=3 204 B4R0.1 C(C(=O)O)I TS48817 [1,0,0,0,0,0|2,0,0]=3 205 B4R0.1 C(C(=O)O)N TS31897 [1,0,0,0,0,0|2,0,0]=3 206 B4R0.1 C(C(=O)O)N TS62535 [1,0,0,0,0,0|2,0,0]=3 207 B4R0.1 C(C(=O)O)O TS71635 [1,0,0,0,0,0|1,1,0]=3 208 B4R0.1 C(C(=O)O)S TS03656 [1,0,0,0,0,0|1,0,0]=2 209 B4R0.1 C(C(=O)[O-])Cl TS04648 [1,0,0,0,0,0|2,0,0]=3 210 B4R0.1 C(C(=O)[O-])F TS03691 [1,0,0,0,0,0|2,0,0]=3 211 B4R0.1 C(C(=O)[O-])F TS15406 [1,0,0,0,0,0|2,0,0]=3 212 B4R0.1 C(C(=O)[O-])F TS31484 [1,0,0,0,0,0|2,0,0]=3 213 B4R0.1 C(C(=O)[O-])I TS01955 [1,0,0,0,0,0|2,0,0]=3 214 B4R0.1 C(C(=O)[O-])I TS17396 [1,0,0,0,0,0|2,0,0]=3 215 B4R0.1 C(C(=O)[O-])N TS03744 [1,0,0,0,0,0|2,0,0]=3 216 B4R0.1 C(C(=O)[O-])N TS05962 [1,0,0,0,0,0|2,0,0]=3 217 B4R0.1 C(C(=O)[O-])N TS13250 [1,0,0,0,0,0|2,0,0]=3 218 B4R0.1 C(C(=O)[O-])N TS21558 [1,0,0,0,0,0|2,0,0]=3 219 B4R0.1 C(C(=O)[O-])N TS38376 [1,0,0,0,0,0|2,0,0]=3 220 B4R0.1 C(C(=O)[O-])N TS50709 [1,0,0,0,0,0|2,0,0]=3 221 B4R0.1 C(C(=O)[O-])N TS93263 [1,0,0,0,0,0|2,0,0]=3 222 B4R0.1 C(C(=O)[O-])N TS93300 [1,0,0,0,0,0|2,0,0]=3 223 B4R0.1 C(C(=O)[O-])O TS03750 [1,0,0,0,0,0|1,1,0]=3 224 B4R0.1 C(C(=O)[O-])S TS31805 [1,0,0,0,0,0|1,0,0]=2 225 B4R0.1 C(C(=O)[O-])S TS32044 [1,0,0,0,0,0|1,0,0]=2 226 B4R0.1 C(C(=O)[O-])S TS36493 [1,0,0,0,0,0|1,0,0]=2 227 B4R0.1 C([N+](=O)[O-])Br TS37323 [1,0,0,0,0,0|3,0,0]=4 228 B4R0.1 C=C(CBr)Br TS37831 [1,0,0,0,0,0|2,0,1]=4 229 B4R0.1 C=C(CCl)Br TS41550 [1,0,0,0,0,0|2,0,1]=4 230 B4R0.1 C=C(CCl)Cl TS04228 [1,0,0,0,0,0|2,0,1]=4 231 B4R0.1 C=C(CCl)F TS03685 [1,0,0,0,0,0|2,0,1]=4 232 B4R0.1 C=C(CO)Br TS06156 [1,0,0,0,0,0|1,1,1]=4 233 B4R0.1 C=C(CO)Cl TS00065 [1,0,0,0,0,0|1,1,1]=4 234 B4R0.1 C=CC(=O)Cl TS33217 [1,0,0,0,0,0|1,0,2]=4 235 B4R0.1 C=CC(=O)N TS45022 [1,0,0,0,0,0|1,0,2]=4 236 B4R0.1 C=CC(=O)O TS71594 [1,0,0,0,0,0|1,0,2]=4 237 B4R0.1 C=CC(=O)[O-] TS03423 [1,0,0,0,0,0|1,0,2]=4 238 B4R0.1 C=CC(=O)[O-] TS10783 [1,0,0,0,0,0|1,0,2]=4 239 B4R0.1 C=CC(=O)[O-] TS14324 [1,0,0,0,0,0|1,0,2]=4 240 B4R0.1 C=CC(=O)[O-] TS38896 [1,0,0,0,0,0|1,0,2]=4 241 B4R0.1 C=CC(=O)[O-] TS43153 [1,0,0,0,0,0|1,0,2]=4 242 B4R0.1 C=CC(=O)[O-] TS43339 [1,0,0,0,0,0|1,0,2]=4 243 B4R0.1 C=CC(=O)[O-] TS57334 [1,0,0,0,0,0|1,0,2]=4 244 B4R0.1 C=CC(=O)[O-] TS71822 [1,0,0,0,0,0|1,0,2]=4 245 B4R0.1 C=CC(=O)[O-] TS80195 [1,0,0,0,0,0|1,0,2]=4 246 B4R0.1 CC(=C)C=C TS00101 [1,0,0,0,0,0|1,0,2]=4 247 B4R0.1 CC(=C)C=O TS71445 [1,0,0,0,0,0|1,1,1]=4 248 B4R0.1 CC(=C)CBr TS65907 [1,0,0,0,0,0|2,0,0]=3 249 B4R0.1 CC(=C)CCl TS00138 [1,0,0,0,0,0|2,0,0]=3 250 B4R0.1 CC(=C)CN TS02169 [1,0,0,0,0,0|2,0,0]=3 251 B4R0.1 CC(=C)CN TS04121 [1,0,0,0,0,0|2,0,0]=3 252 B4R0.1 CC(=C)CO TS00103 [1,0,0,0,0,0|1,1,0]=3 253 B4R0.1 CC(=C)CS TS71814 [1,0,0,0,0,0|1,0,0]=2 254 B4R0.1 CC(=C)OC TS00091 [1,0,0,0,0,0|1,1,0]=3 255 B4R0.1 CC(=C)[Mg]Br TS07128 [1,0,0,0,0,0|3,0,0]=4 256 B4R0.1 CC(=C=O)C TS16967 [1,0,0,0,0,0|1,1,1]=4 257 B4R0.1 CC(=CBr)Br TS37830 [1,0,0,0,0,0|2,0,1]=4 258 B4R0.1 CC(=CBr)C TS36907 [1,0,0,0,0,0|2,0,1]=4 259 B4R0.1 CC(=CCl)Cl TS31870 [1,0,0,0,0,0|2,0,1]=4 260 B4R0.1 CC(=N)OC TS31813 [1,0,0,0,0,0|1,1,0]=3 261 B4R0.1 CC(=NN)C TS71612 [1,0,0,0,0,0|3,0,0]=4 262 B4R0.1 CC(=NO)C TS03378 [1,0,0,0,0,0|2,1,0]=4 263 B4R0.1 CC(=O)C#C TS00427 [1,0,0,0,0,0|0,0,2]=3 264 B4R0.1 CC(=O)C=C TS71414 [1,0,0,0,0,0|0,0,2]=3 265 B4R0.1 CC(=O)C=O TS71593 [1,0,0,0,0,0|0,1,1]=3 266 B4R0.1 CC(=O)CBr TS64992 [1,0,0,0,0,0|1,0,0]=2 267 B4R0.1 CC(=O)CCl TS71869 [1,0,0,0,0,0|1,0,0]=2 268 B4R0.1 CC(=O)CF TS71639 [1,0,0,0,0,0|1,0,0]=2 269 B4R0.1 CC(=O)CO TS39607 [1,0,0,0,0,0|0,1,0]=2 270 B4R0.1 CC(=O)NBr TS37149 [1,0,0,0,0,0|2,0,0]=3 271 B4R0.1 CC(=O)NC TS16313 [1,0,0,0,0,0|1,0,0]=2 272 B4R0.1 CC(=O)NN TS01339 [1,0,0,0,0,0|2,0,0]=3 273 B4R0.1 CC(=O)OC TS03390 [1,0,0,0,0,0|0,1,0]=2 274 B4R0.1 CC(=O)OO TS71636 [1,0,0,0,0,0|1,1,0]=3 275 B4R0.1 CC(=O)SC TS71852 [1,0,0,0,0,0|0,0,0]=1 276 B4R0.1 CC(=[N+]=[N-])C TS03273 [1,0,0,0,0,0|3,0,0]=4 277 B4R0.1 CC(C)CBr TS59896 [1,0,0,0,0,0|2,0,1]=4 278 B4R0.1 CC(C)CCl TS00045 [1,0,0,0,0,0|2,0,1]=4 279 B4R0.1 CC(C)CI TS48514 [1,0,0,0,0,0|2,0,1]=4 280 B4R0.1 CC(C)CN TS01504 [1,0,0,0,0,0|2,0,1]=4 281 B4R0.1 CC(C)CN TS04173 [1,0,0,0,0,0|2,0,1]=4 282 B4R0.1 CC(C)CO TS03402 [1,0,0,0,0,0|1,1,1]=4 283 B4R0.1 CC(C)CS TS02444 [1,0,0,0,0,0|1,0,1]=3 284 B4R0.1 CC(C)C[Al+2] TS10535 [1,0,0,0,0,0|2,0,1]=4 285 B4R0.1 CC(C)C[Zn+] TS19475 [1,0,0,0,0,0|2,0,1]=4 286 B4R0.1 CC(C)NC TS56405 [1,0,0,0,0,0|2,0,1]=4 287 B4R0.1 CC(C)SC TS71855 [1,0,0,0,0,0|1,0,1]=3 288 B4R0.1 CC(CBr)Cl TS41830 [1,0,0,0,0,0|2,0,1]=4 289 B4R0.1 CC(CBr)O TS06336 [1,0,0,0,0,0|1,0,2]=4 290 B4R0.1 CC(CCl)Cl TS31995 [1,0,0,0,0,0|2,0,1]=4 291 B4R0.1 CC(CCl)O TS03686 [1,0,0,0,0,0|1,0,2]=4 292 B4R0.1 CC(CF)O TS03431 [1,0,0,0,0,0|1,0,2]=4 293 B4R0.1 CC(CN)N TS16685 [1,0,0,0,0,0|2,0,1]=4 294 B4R0.1 CC(CN)O TS71630 [1,0,0,0,0,0|1,0,2]=4 295 B4R0.1 CC(CO)F TS03432 [1,0,0,0,0,0|1,1,1]=4 296 B4R0.1 CC(CO)N TS04255 [1,0,0,0,0,0|1,1,1]=4 297 B4R0.1 CC(CO)O TS22730 [1,0,0,0,0,0|0,1,2]=4 298 B4R0.1 CC(CS)O TS71863 [1,0,0,0,0,0|0,0,2]=3 299 B4R0.1 CC(CS)S TS04156 [1,0,0,0,0,0|0,1,1]=3 300 B4R0.1 CC(C[NH3+])O TS45584 [1,0,0,0,0,0|1,0,2]=4 301 B4R0.1 CC(S)SC TS04152 [1,0,0,0,0,0|0,1,1]=3 302 B4R0.1 CC=C(Br)Br TS37832 [1,0,0,0,0,0|2,0,1]=4 303 B4R0.1 CC=C(C)Br TS36906 [1,0,0,0,0,0|1,0,1]=3 304 B4R0.1 CC=C(C)C TS03364 [1,0,0,0,0,0|1,0,1]=3 305 B4R0.1 CC=C(Cl)Br TS41551 [1,0,0,0,0,0|2,0,1]=4 306 B4R0.1 CCC(=C)Br TS36908 [1,0,0,0,0,0|1,0,1]=3 307 B4R0.1 CCC(=C)C TS03363 [1,0,0,0,0,0|1,0,0]=2 308 B4R0.1 CCC(=C)Cl TS03633 [1,0,0,0,0,0|1,0,1]=3 309 B4R0.1 CCC(=N)N TS01647 [1,0,0,0,0,0|2,0,0]=3 310 B4R0.1 CCC(=O)Br TS06155 [1,0,0,0,0,0|1,0,0]=2 311 B4R0.1 CCC(=O)C TS71608 [1,0,0,0,0,0|0,0,0]=1 312 B4R0.1 CCC(=O)Cl TS71868 [1,0,0,0,0,0|1,0,0]=2 313 B4R0.1 CCC(=O)F TS71638 [1,0,0,0,0,0|1,0,0]=2 314 B4R0.1 CCC(=O)N TS59820 [1,0,0,0,0,0|1,0,0]=2 315 B4R0.1 CCC(=O)O TS03391 [1,0,0,0,0,0|1,0,0]=2 316 B4R0.1 CCC(=O)[O-] TS03709 [1,0,0,0,0,0|1,0,0]=2 317 B4R0.1 CCC(=O)[O-] TS04307 [1,0,0,0,0,0|1,0,0]=2 318 B4R0.1 CCC(=O)[O-] TS21191 [1,0,0,0,0,0|1,0,0]=2 319 B4R0.1 CCC(=O)[O-] TS28396 [1,0,0,0,0,0|1,0,0]=2 320 B4R0.1 CCC(=O)[O-] TS29272 [1,0,0,0,0,0|1,0,0]=2 321 B4R0.1 CCC(=O)[O-] TS38909 [1,0,0,0,0,0|1,0,0]=2 322 B4R0.1 CCC(=O)[O-] TS48904 [1,0,0,0,0,0|1,0,0]=2 323 B4R0.1 CCC(=O)[O-] TS53540 [1,0,0,0,0,0|1,0,0]=2 324 B4R0.1 CCC(=S)N TS03610 [1,0,0,0,0,0|1,1,0]=3 325 B4R0.1 CCC(=S)O TS71850 [1,0,0,0,0,0|1,0,1]=3 326 B4R0.1 CCC(C)Br TS39654 [1,0,0,0,0,0|1,0,1]=3 327 B4R0.1 CCC(C)Cl TS71870 [1,0,0,0,0,0|1,0,1]=3 328 B4R0.1 CCC(C)I TS93849 [1,0,0,0,0,0|1,0,1]=3 329 B4R0.1 CCC(C)N TS03382 [1,0,0,0,0,0|1,0,1]=3 330 B4R0.1 CCC(C)O TS03403 [1,0,0,0,0,0|0,0,2]=3 331 B4R0.1 CCC(C)S TS71856 [1,0,0,0,0,0|0,1,1]=3 332 B4R0.1 CCC(C)[Zn+] TS19473 [1,0,0,0,0,0|1,0,1]=3 333 B4R0.1 CCN(C)C TS03385 [1,0,0,0,0,0|2,0,0]=3 334 B4R0.1 CCP(Cl)Cl TS36582 [1,0,0,0,0,0|3,0,0]=4 335 B4R0.1 CCS(=O)[O-] TS93504 [1,0,0,0,0,0|2,0,0]=3 336 B4R0.1 CC[C@@H](C)N TS04171 [1,0,0,0,0,0|1,0,1]=3 337 B4R0.1 CC[C@@H](C)O TS03406 [1,0,0,0,0,0|0,0,2]=3 338 B4R0.1 CC[C@H](C)O TS03405 [1,0,0,0,0,0|0,0,2]=3 339 B4R0.1 CC[N+](=O)[O-] TS56409 [1,0,0,0,0,0|2,0,0]=3 340 B4R0.1 CC[SiH](C)C TS71815 [1,0,0,0,0,0|1,1,0]=3 341 B4R0.1 CC[SiH](Cl)Cl TS36387 [1,0,0,0,0,0|2,1,0]=4 342 B4R0.1 CNC(=N)N TS04168 [1,0,0,0,0,0|3,0,0]=4 343 B4R0.1 CNC(=N)N TS27169 [1,0,0,0,0,0|3,0,0]=4 344 B4R0.1 CNC(=O)Cl TS71883 [1,0,0,0,0,0|2,0,0]=3 345 B4R0.1 CNC(=O)N TS03394 [1,0,0,0,0,0|2,0,0]=3 346 B4R0.1 CNC(=S)N TS01609 [1,0,0,0,0,0|2,1,0]=4 347 B4R0.1 CNC(=S)[S-] TS07130 [1,0,0,0,0,0|2,1,0]=4 348 B4R0.1 CNN(C)C TS01930 [1,0,0,0,0,0|3,0,0]=4 349 B4R0.1 COC(=N)N TS01617 [1,0,0,0,0,0|2,1,0]=4 350 B4R0.1 COC(=N)N TS03396 [1,0,0,0,0,0|2,1,0]=4 351 B4R0.1 COC(=N)N TS13125 [1,0,0,0,0,0|2,1,0]=4 352 B4R0.1 COC(=N)N TS31863 [1,0,0,0,0,0|2,1,0]=4 353 B4R0.1 COC(=O)Cl TS03684 [1,0,0,0,0,0|1,1,0]=3 354 B4R0.1 COC(=O)N TS71628 [1,0,0,0,0,0|1,1,0]=3 355 B4R0.1 COC(=O)[O-] TS36560 [1,0,0,0,0,0|1,1,0]=3 356 B4R0.1 CO[N+](=O)[O-] TS03416 [1,0,0,0,0,0|2,1,0]=4 357 B4R0.1 CO[SiH](C)C TS03629 [1,0,0,0,0,0|1,2,0]=4 358 B4R0.1 CSC(=N)N TS01109 [1,0,0,0,0,0|2,0,0]=3 359 B4R0.1 CSC(=N)N TS49354 [1,0,0,0,0,0|2,0,0]=3 360 B4R0.1 CSC(=O)Cl TS31865 [1,0,0,0,0,0|1,0,0]=2 361 B4R0.1 C[C@@H](CCl)O TS08924 [1,0,0,0,0,0|1,0,2]=4 362 B4R0.1 C[C@@H](CN)N TS45459 [1,0,0,0,0,0|2,0,1]=4 363 B4R0.1 C[C@@H](CN)N TS59565 [1,0,0,0,0,0|2,0,1]=4 364 B4R0.1 C[C@@H](CN)O TS71634 [1,0,0,0,0,0|1,0,2]=4 365 B4R0.1 C[C@@H](CO)Cl TS31359 [1,0,0,0,0,0|1,1,1]=4 366 B4R0.1 C[C@@H](CO)N TS55878 [1,0,0,0,0,0|1,1,1]=4 367 B4R0.1 C[C@@H](CO)O TS46640 [1,0,0,0,0,0|0,1,2]=4 368 B4R0.1 C[C@H](CCl)O TS46601 [1,0,0,0,0,0|1,0,2]=4 369 B4R0.1 C[C@H](CN)N TS31866 [1,0,0,0,0,0|2,0,1]=4 370 B4R0.1 C[C@H](CN)N TS45458 [1,0,0,0,0,0|2,0,1]=4 371 B4R0.1 C[C@H](CN)O TS71631 [1,0,0,0,0,0|1,0,2]=4 372 B4R0.1 C[C@H](CO)Cl TS03688 [1,0,0,0,0,0|1,1,1]=4 373 B4R0.1 C[C@H](CO)N TS01415 [1,0,0,0,0,0|1,1,1]=4 374 B4R0.1 C[C@H](CO)O TS59482 [1,0,0,0,0,0|0,1,2]=4 375 B4R0.1 C[SiH](C)CCl TS04166 [1,0,0,0,0,0|2,1,0]=4 376 B4R0.1 [2H]C(=O)O[2H] TS65557 [1,0,0,0,0,0|2,1,0]=4 377 B4R0.2 C(C=O)C=O TS71592 [1,0,0,0,0,0|2,0,0]=3 378 B4R0.2 C(CCl)C=O TS71867 [1,0,0,0,0,0|2,0,0]=3 379 B4R0.2 C=CCC#C TS66005 [1,0,0,0,0,0|1,0,2]=4 380 B4R0.2 C=CCC#N TS70615 [1,0,0,0,0,0|2,0,1]=4 381 B4R0.2 C=CCC=C TS70907 [1,0,0,0,0,0|1,0,2]=4 382 B4R0.2 C=CCCBr TS03033 [1,0,0,0,0,0|2,0,1]=4 383 B4R0.2 C=CCCCl TS03638 [1,0,0,0,0,0|2,0,1]=4 384 B4R0.2 C=CCCN TS01596 [1,0,0,0,0,0|2,0,1]=4 385 B4R0.2 C=CCCN TS04120 [1,0,0,0,0,0|2,0,1]=4 386 B4R0.2 C=CCCO TS71598 [1,0,0,0,0,0|2,0,1]=4 387 B4R0.2 C=CCNN TS55729 [1,0,0,0,0,0|2,0,1]=4 388 B4R0.2 C=CCON TS31812 [1,0,0,0,0,0|1,1,1]=4 389 B4R0.2 C=CC[Mg]Br TS07129 [1,0,0,0,0,0|2,0,1]=4 390 B4R0.2 C=CC[Pd]Cl TS79784 [1,0,0,0,0,0|2,0,1]=4 391 B4R0.2 C=CNC=O TS03372 [1,0,0,0,0,0|2,0,1]=4 392 B4R0.2 C=COC=O TS71590 [1,0,0,0,0,0|2,0,1]=4 393 B4R0.2 CC=CC#C TS66004 [1,0,0,0,0,0|1,0,2]=4 394 B4R0.2 CC=CC=C TS06116 [1,0,0,0,0,0|1,0,2]=4 395 B4R0.2 CC=CC=C TS71007 [1,0,0,0,0,0|1,0,2]=4 396 B4R0.2 CC=CC=O TS16977 [1,0,0,0,0,0|1,0,1]=3 397 B4R0.2 CC=CCCl TS03634 [1,0,0,0,0,0|2,0,1]=4 398 B4R0.2 CC=CCN TS01395 [1,0,0,0,0,0|2,0,1]=4 399 B4R0.2 CC=CCO TS71604 [1,0,0,0,0,0|2,0,1]=4 400 B4R0.2 CC=COC TS71611 [1,0,0,0,0,0|0,1,1]=3 401 B4R0.2 CC=C[Mg]Br TS40351 [1,0,0,0,0,0|2,0,1]=4 402 B4R0.2 CCC#CC TS03009 [1,0,0,0,0,0|1,0,2]=4 403 B4R0.2 CCC=CBr TS33033 [1,0,0,0,0,0|2,0,1]=4 404 B4R0.2 CCC=CC TS03361 [1,0,0,0,0,0|1,0,1]=3 405 B4R0.2 CCC=CCl TS03636 [1,0,0,0,0,0|2,0,1]=4 406 B4R0.2 CCC=CCl TS03637 [1,0,0,0,0,0|2,0,1]=4 407 B4R0.2 CCCC#C TS70989 [1,0,0,0,0,0|1,0,2]=4 408 B4R0.2 CCCC#N TS03176 [1,0,0,0,0,0|2,0,1]=4 409 B4R0.2 CCCC=O TS71609 [1,0,0,0,0,0|1,0,0]=2 410 B4R0.2 CCCCBr TS37077 [1,0,0,0,0,0|2,0,1]=4 411 B4R0.2 CCCCBr TS93069 [1,0,0,0,0,0|2,0,1]=4 412 B4R0.2 CCCCC TS71613 [1,0,0,0,0,0|1,0,1]=3 413 B4R0.2 CCCCCl TS39594 [1,0,0,0,0,0|2,0,1]=4 414 B4R0.2 CCCCF TS71643 [1,0,0,0,0,0|2,0,1]=4 415 B4R0.2 CCCCI TS48513 [1,0,0,0,0,0|2,0,1]=4 416 B4R0.2 CCCCN TS03383 [1,0,0,0,0,0|2,0,1]=4 417 B4R0.2 CCCCN TS04172 [1,0,0,0,0,0|2,0,1]=4 418 B4R0.2 CCCCO TS03407 [1,0,0,0,0,0|1,0,2]=4 419 B4R0.2 CCCCS TS71854 [1,0,0,0,0,0|1,1,1]=4 420 B4R0.2 CCCC[O-] TS31364 [1,0,0,0,0,0|1,0,2]=4 421 B4R0.2 CCCC[O-] TS64270 [1,0,0,0,0,0|1,0,2]=4 422 B4R0.2 CCCC[O-] TS66591 [1,0,0,0,0,0|1,0,2]=4 423 B4R0.2 CCCC[O-] TS67287 [1,0,0,0,0,0|1,0,2]=4 424 B4R0.2 CCCC[O-] TS82799 [1,0,0,0,0,0|1,0,2]=4 425 B4R0.2 CCCC[O-] TS83727 [1,0,0,0,0,0|1,0,2]=4 426 B4R0.2 CCCC[S-] TS31943 [1,0,0,0,0,0|1,1,1]=4 427 B4R0.2 CCCC[Si] TS71817 [1,0,0,0,0,0|1,1,1]=4 428 B4R0.2 CCCC[Zn+] TS19474 [1,0,0,0,0,0|2,0,1]=4 429 B4R0.2 CCCNC TS03381 [1,0,0,0,0,0|1,0,1]=3 430 B4R0.2 CCCOC TS03404 [1,0,0,0,0,0|0,1,1]=3 431 B4R0.2 CCCO[NH3+] TS04256 [1,0,0,0,0,0|1,1,1]=4 432 B4R0.2 CCCSC TS71857 [1,0,0,0,0,0|0,0,1]=2 433 B4R0.2 CCC[Mg]Br TS07380 [1,0,0,0,0,0|2,0,1]=4 434 B4R0.2 CCC[Mg]Cl TS31623 [1,0,0,0,0,0|2,0,1]=4 435 B4R0.2 CCC[Zn]Br TS50817 [1,0,0,0,0,0|2,0,1]=4 436 B4R0.2 CCN=C=O TS01458 [1,0,0,0,0,0|2,0,1]=4 437 B4R0.2 CCNC=O TS03379 [1,0,0,0,0,0|2,0,0]=3 438 B4R0.2 CCNCC TS03384 [1,0,0,0,0,0|2,0,1]=4 439 B4R0.2 CCNCC TS04169 [1,0,0,0,0,0|2,0,1]=4 440 B4R0.2 CCNCC TS05835 [1,0,0,0,0,0|2,0,1]=4 441 B4R0.2 CCNCC TS10368 [1,0,0,0,0,0|2,0,1]=4 442 B4R0.2 CCNCC TS12959 [1,0,0,0,0,0|2,0,1]=4 443 B4R0.2 CCOC=C TS71601 [1,0,0,0,0,0|2,0,1]=4 444 B4R0.2 CCOC=O TS03393 [1,0,0,0,0,0|2,0,0]=3 445 B4R0.2 CCOCC TS03401 [1,0,0,0,0,0|2,0,1]=4 446 B4R0.2 CCOCC TS42371 [1,0,0,0,0,0|2,0,1]=4 447 B4R0.2 CCOCC TS43884 [1,0,0,0,0,0|2,0,1]=4 448 B4R0.2 CCOCC TS68115 [1,0,0,0,0,0|2,0,1]=4 449 B4R0.2 CCOCC TS79120 [1,0,0,0,0,0|2,0,1]=4 450 B4R0.2 CCON=O TS71627 [1,0,0,0,0,0|3,0,0]=4 451 B4R0.2 CCPCC TS71830 [1,0,0,0,0,0|2,0,1]=4 452 B4R0.2 CCSC=C TS71813 [1,0,0,0,0,0|2,0,1]=4 453 B4R0.2 CCSCC TS71853 [1,0,0,0,0,0|2,0,1]=4 454 B4R0.2 CCSSC TS04155 [1,0,0,0,0,0|1,0,1]=3 455 B4R0.2 CC[Al+]CC TS32445 [1,0,0,0,0,0|2,0,1]=4 456 B4R0.2 CC[Al+]CC TS36486 [1,0,0,0,0,0|2,0,1]=4 457 B4R0.2 CC[Cd]CC TS45221 [1,0,0,0,0,0|2,0,1]=4 458 B4R0.2 CC[Ga+]CC TS42641 [1,0,0,0,0,0|2,0,1]=4 459 B4R0.2 CC[GeH2]CC TS36741 [1,0,0,0,0,0|1,1,1]=4 460 B4R0.2 CC[Hg]CC TS68206 [1,0,0,0,0,0|2,0,1]=4 461 B4R0.2 CC[Mg]CC TS71690 [1,0,0,0,0,0|2,0,1]=4 462 B4R0.2 CC[N-]CC TS71656 [1,0,0,0,0,0|2,0,1]=4 463 B4R0.2 CC[Se]CC TS37078 [1,0,0,0,0,0|2,0,1]=4 464 B4R0.2 CC[SiH2]CC TS71816 [1,0,0,0,0,0|1,1,1]=4 465 B4R0.2 CC[Te]CC TS15549 [1,0,0,0,0,0|2,0,1]=4 466 B4R0.2 CC[Zn]CC TS04983 [1,0,0,0,0,0|2,0,1]=4 467 B4R0.2 CNCC#N TS03334 [1,0,0,0,0,0|2,0,1]=4 468 B4R0.2 CNCC#N TS12514 [1,0,0,0,0,0|2,0,1]=4 469 B4R0.2 CNCC#N TS56312 [1,0,0,0,0,0|2,0,1]=4 470 B4R0.2 CNCCN TS03408 [1,0,0,0,0,0|2,0,1]=4 471 B4R0.2 CNCCO TS00099 [1,0,0,0,0,0|1,0,2]=4 472 B4R0.2 COCC#C TS09815 [1,0,0,0,0,0|0,1,2]=4 473 B4R0.2 COCC#N TS03371 [1,0,0,0,0,0|1,1,1]=4 474 B4R0.2 COCC=C TS94286 [1,0,0,0,0,0|0,1,1]=3 475 B4R0.2 COCC=O TS03388 [1,0,0,0,0,0|0,1,0]=2 476 B4R0.2 COCCBr TS65036 [1,0,0,0,0,0|1,1,1]=4 477 B4R0.2 COCCBr TS93982 [1,0,0,0,0,0|1,1,1]=4 478 B4R0.2 COCCCl TS03687 [1,0,0,0,0,0|1,1,1]=4 479 B4R0.2 COCCN TS71632 [1,0,0,0,0,0|1,1,1]=4 480 B4R0.2 COCCO TS71642 [1,0,0,0,0,0|0,1,2]=4 481 B4R0.2 COCC[O-] TS03754 [1,0,0,0,0,0|0,1,2]=4 482 B4R0.2 COCC[O-] TS44727 [1,0,0,0,0,0|0,1,2]=4 483 B4R0.2 COCC[O-] TS45853 [1,0,0,0,0,0|0,1,2]=4 484 B4R0.2 COCOC TS08721 [1,0,0,0,0,0|1,1,0]=3 485 B4R0.2 CSCC=C TS71811 [1,0,0,0,0,0|0,0,1]=2 486 B4R0.2 CSCCCl TS31867 [1,0,0,0,0,0|1,0,1]=3 487 B4R0.2 CSCCCl TS93571 [1,0,0,0,0,0|1,0,1]=3 488 B4R0.2 CSCCN TS03646 [1,0,0,0,0,0|1,0,1]=3 489 B4R0.2 CSCCO TS71862 [1,0,0,0,0,0|0,0,2]=3 490 B4R0.2 CSCSC TS04154 [1,0,0,0,0,0|1,0,0]=2 491 B4R0.2 CSSSC TS36187 [1,0,0,0,0,0|2,0,0]=3 492 B4R0.2 [2H]OCCC TS65595 [1,0,0,0,0,0|1,1,1]=4 493 B4R0.2 [Li]CCCC TS39912 [1,0,0,0,0,0|2,0,1]=4 494 B6R0.1 C(C#N)C(=O)NN TS01397 [0,1,0,0,0,0|3,0,0]=4 495 B6R0.1 C(C(=O)NCO)Cl TS64943 [0,1,0,0,0,0|3,0,0]=4 496 B6R0.1 C(C(=O)OCO)N TS05233 [0,1,0,0,0,0|3,0,0]=4 497 B6R0.1 C(CN)C(=O)CN TS13627 [0,1,0,0,0,0|2,0,0]=3 498 B6R0.1 C(CO)C(=O)CN TS37313 [0,1,0,0,0,0|2,0,0]=3 499 B6R0.1 C=COC(=O)CBr TS42840 [0,1,0,0,0,0|2,0,1]=4 500 B6R0.1 C=COC(=O)CCl TS32444 [0,1,0,0,0,0|2,0,1]=4 501 B6R0.1 C=COC(=O)CI TS44096 [0,1,0,0,0,0|2,0,1]=4 502 B6R0.1 CC#CC(=O)OC TS03761 [0,1,0,0,0,0|1,0,1]=3 503 B6R0.1 CC(=CCCl)C=O TS04765 [0,1,0,0,0,0|2,0,1]=4 504 B6R0.1 CC(COC)OC TS94098 [0,1,0,0,0,0|0,1,2]=4 505 B6R0.1 CC=C(C)CC=C TS03736 [0,1,0,0,0,0|2,0,1]=4 506 B6R0.1 CC=C(C)CCO TS03864 [0,1,0,0,0,0|3,0,0]=4 507 B6R0.1 CC=CC(=CC)C TS31385 [0,1,0,0,0,0|2,0,1]=4 508 B6R0.1 CC=CC(=O)OC TS56315 [0,1,0,0,0,0|1,0,1]=3 509 B6R0.1 CCC(=O)C=CC TS31436 [0,1,0,0,0,0|1,0,1]=3 510 B6R0.1 CCC(=O)CC#N TS31393 [0,1,0,0,0,0|2,0,0]=3 511 B6R0.1 CCC(=O)CSC TS32357 [0,1,0,0,0,0|0,0,0]=1 512 B6R0.1 CCC(=O)NCC TS03904 [0,1,0,0,0,0|2,0,0]=3 513 B6R0.1 CCC(=O)OC=C TS31498 [0,1,0,0,0,0|2,0,1]=4 514 B6R0.1 CCC(=O)OCC TS03938 [0,1,0,0,0,0|2,0,0]=3 515 B6R0.1 CCC(=O)SCC TS32362 [0,1,0,0,0,0|2,0,0]=3 516 B6R0.1 CCC(COC)N TS04013 [0,1,0,0,0,0|1,1,1]=4 517 B6R0.1 CCC(COC)O TS04038 [0,1,0,0,0,0|0,1,2]=4 518 B6R0.1 CCC=C(C)C=O TS03779 [0,1,0,0,0,0|1,0,1]=3 519 B6R0.1 CCCC(=C)C=O TS31425 [0,1,0,0,0,0|1,0,1]=3 520 B6R0.1 CCCC(=C)CC TS03794 [0,1,0,0,0,0|2,0,0]=3 521 B6R0.1 CCCC(=CC)C TS31455 [0,1,0,0,0,0|2,0,0]=3 522 B6R0.1 CCCC(=O)CC TS31522 [0,1,0,0,0,0|1,0,0]=2 523 B6R0.1 CCCC(=O)NN TS31598 [0,1,0,0,0,0|2,0,0]=3 524 B6R0.1 CCCC(=O)OC TS03955 [0,1,0,0,0,0|1,0,0]=2 525 B6R0.1 CCCC(=S)OC TS32358 [0,1,0,0,0,0|1,1,0]=3 526 B6R0.1 CCCC(C)C#C TS31387 [0,1,0,0,0,0|2,0,1]=4 527 B6R0.1 CCCC(C)C=C TS03798 [0,1,0,0,0,0|2,0,1]=4 528 B6R0.1 CCCC(C)C=O TS01565 [0,1,0,0,0,0|1,0,1]=3 529 B6R0.1 CCCC(C)CBr TS42857 [0,1,0,0,0,0|2,0,1]=4 530 B6R0.1 CCCC(C)CC TS03886 [0,1,0,0,0,0|2,0,1]=4 531 B6R0.1 CCCC(C)CO TS39282 [0,1,0,0,0,0|1,0,2]=4 532 B6R0.1 CCCC(C)NC TS03920 [0,1,0,0,0,0|2,0,1]=4 533 B6R0.1 CCCC(CBr)Br TS52925 [0,1,0,0,0,0|2,0,1]=4 534 B6R0.1 CCCC(CC)Br TS42856 [0,1,0,0,0,0|2,0,1]=4 535 B6R0.1 CCCC(CC)Cl TS04841 [0,1,0,0,0,0|2,0,1]=4 536 B6R0.1 CCCC(CC)I TS44109 [0,1,0,0,0,0|2,0,1]=4 537 B6R0.1 CCCC(CC)N TS31564 [0,1,0,0,0,0|2,0,1]=4 538 B6R0.1 CCCC(CC)O TS31611 [0,1,0,0,0,0|1,0,2]=4 539 B6R0.1 CCCC(CC)S TS40939 [0,1,0,0,0,0|1,1,1]=4 540 B6R0.1 CCCC(CC)[Zn+] TS24971 [0,1,0,0,0,0|2,0,1]=4 541 B6R0.1 CCCC(CCl)Cl TS06553 [0,1,0,0,0,0|2,0,1]=4 542 B6R0.1 CCCC(CO)O TS04026 [0,1,0,0,0,0|1,0,2]=4 543 B6R0.1 CCCN(C)N=O TS31599 [0,1,0,0,0,0|2,0,0]=3 544 B6R0.1 CCC[C@@H](CO)N TS04002 [0,1,0,0,0,0|2,0,1]=4 545 B6R0.1 CCC[C@@H](CO)O TS04042 [0,1,0,0,0,0|1,0,2]=4 546 B6R0.1 CCC[C@H](CO)N TS04000 [0,1,0,0,0,0|2,0,1]=4 547 B6R0.1 CCNC(=O)C=C TS03826 [0,1,0,0,0,0|2,0,1]=4 548 B6R0.1 CCNC(=O)CCl TS04876 [0,1,0,0,0,0|2,0,0]=3 549 B6R0.1 CCNC(=O)OC TS31636 [0,1,0,0,0,0|2,0,0]=3 550 B6R0.1 CCOC(=O)C#C TS03762 [0,1,0,0,0,0|2,0,1]=4 551 B6R0.1 CCOC(=O)C#N TS31469 [0,1,0,0,0,0|2,0,1]=4 552 B6R0.1 CCOC(=O)C=C TS33216 [0,1,0,0,0,0|2,0,1]=4 553 B6R0.1 CCOC(=O)C=O TS56148 [0,1,0,0,0,0|2,0,1]=4 554 B6R0.1 CCOC(=O)CBr TS56141 [0,1,0,0,0,0|2,0,0]=3 555 B6R0.1 CCOC(=O)CCl TS39825 [0,1,0,0,0,0|2,0,0]=3 556 B6R0.1 CCOC(=O)CF TS65215 [0,1,0,0,0,0|2,0,0]=3 557 B6R0.1 CCOC(=O)CN TS31646 [0,1,0,0,0,0|2,0,0]=3 558 B6R0.1 CCOC(=O)CN TS33221 [0,1,0,0,0,0|2,0,0]=3 559 B6R0.1 CCOC(=O)CO TS56147 [0,1,0,0,0,0|2,0,0]=3 560 B6R0.1 CCOC(=O)CS TS01466 [0,1,0,0,0,0|2,0,0]=3 561 B6R0.1 CCOC(=O)NC TS31637 [0,1,0,0,0,0|2,0,0]=3 562 B6R0.1 CCOC(=O)NN TS59780 [0,1,0,0,0,0|3,0,0]=4 563 B6R0.1 CCOC(=O)NO TS04067 [0,1,0,0,0,0|3,0,0]=4 564 B6R0.1 CCOC(=O)OC TS31662 [0,1,0,0,0,0|2,0,0]=3 565 B6R0.1 CNC(=O)CC#N TS55304 [0,1,0,0,0,0|2,0,0]=3 566 B6R0.1 CNCC(=O)OC TS01682 [0,1,0,0,0,0|1,0,0]=2 567 B6R0.1 CNCC(CO)O TS04078 [0,1,0,0,0,0|1,0,2]=4 568 B6R0.1 COC(=O)C=CN TS31544 [0,1,0,0,0,0|2,0,1]=4 569 B6R0.1 COC(=O)CC#N TS31466 [0,1,0,0,0,0|2,0,0]=3 570 B6R0.1 COC(=O)CC=C TS31502 [0,1,0,0,0,0|1,0,1]=3 571 B6R0.1 COC(=O)CCBr TS56269 [0,1,0,0,0,0|2,0,0]=3 572 B6R0.1 COC(=O)CCCl TS04939 [0,1,0,0,0,0|2,0,0]=3 573 B6R0.1 COC(=O)CCN TS08577 [0,1,0,0,0,0|2,0,0]=3 574 B6R0.1 COC(=O)CCO TS65233 [0,1,0,0,0,0|2,0,0]=3 575 B6R0.1 COC(=O)CCS TS04824 [0,1,0,0,0,0|2,0,0]=3 576 B6R0.1 COC(=O)CSC TS39398 [0,1,0,0,0,0|0,0,0]=1 577 B6R0.1 COC(=O)C[N+]#[C-] TS31464 [0,1,0,0,0,0|1,0,1]=3 578 B6R0.1 COC(=O)N=C=O TS03897 [0,1,0,0,0,0|3,0,0]=4 579 B6R0.1 COCC(=O)OC TS39892 [0,1,0,0,0,0|0,1,0]=2 580 B6R0.1 COCC(CCl)O TS36028 [0,1,0,0,0,0|0,1,2]=4 581 B6R0.1 COCC(CF)O TS31763 [0,1,0,0,0,0|0,1,2]=4 582 B6R0.1 COCC(CO)O TS04080 [0,1,0,0,0,0|0,1,2]=4 583 B6R0.1 CSCC(CO)O TS32525 [0,1,0,0,0,0|0,0,2]=3 584 B6R0.2 C(C(=N)N)C(=O)N TS37135 [0,1,0,0,0,0|3,0,0]=4 585 B6R0.2 C(C(=N)N)C(=O)O TS31589 [0,1,0,0,0,0|3,0,0]=4 586 B6R0.2 C(C(=O)Cl)C(=O)Cl TS37463 [0,1,0,0,0,0|3,0,0]=4 587 B6R0.2 C(C(=O)N)C(=O)N TS31588 [0,1,0,0,0,0|3,0,0]=4 588 B6R0.2 C(C(=O)O)C(=O)O TS01463 [0,1,0,0,0,0|3,0,0]=4 589 B6R0.2 C(C(=O)O)C(=O)O TS04061 [0,1,0,0,0,0|3,0,0]=4 590 B6R0.2 C(C(=O)O)C(=O)O TS08896 [0,1,0,0,0,0|3,0,0]=4 591 B6R0.2 C(C(=O)O)C(=O)O TS74524 [0,1,0,0,0,0|3,0,0]=4 592 B6R0.2 C(C(=O)O)C(=O)[O-] TS37554 [0,1,0,0,0,0|3,0,0]=4 593 B6R0.2 C(C(=O)[O-])C(=O)[O-] TS37547 [0,1,0,0,0,0|3,0,0]=4 594 B6R0.2 CC(=C)OC(=O)C TS03841 [0,1,0,0,0,0|2,0,0]=3 595 B6R0.2 CC(=CC(=C)C)C TS03733 [0,1,0,0,0,0|2,0,1]=4 596 B6R0.2 CC(=CC(=O)C)C TS31432 [0,1,0,0,0,0|1,0,1]=3 597 B6R0.2 CC(=CC(=O)C)N TS03815 [0,1,0,0,0,0|1,0,1]=3 598 B6R0.2 CC(=CC(=O)C)[O-] TS06421 [0,1,0,0,0,0|1,0,1]=3 599 B6R0.2 CC(=CC(=O)C)[O-] TS31723 [0,1,0,0,0,0|1,0,1]=3 600 B6R0.2 CC(=CC(=O)Cl)C TS04766 [0,1,0,0,0,0|2,0,1]=4 601 B6R0.2 CC(=CC(=O)O)C TS03839 [0,1,0,0,0,0|2,0,1]=4 602 B6R0.2 CC(=NN(C)C)C TS03874 [0,1,0,0,0,0|3,0,0]=4 603 B6R0.2 CC(=O)CC(=O)C TS03846 [0,1,0,0,0,0|1,0,0]=2 604 B6R0.2 CC(=O)CC(=O)N TS31549 [0,1,0,0,0,0|2,0,0]=3 605 B6R0.2 CC(=O)CC(=O)O TS31585 [0,1,0,0,0,0|2,0,0]=3 606 B6R0.2 CC(=O)CC(=O)[O-] TS04127 [0,1,0,0,0,0|2,0,0]=3 607 B6R0.2 CC(=O)CN(C)C TS31555 [0,1,0,0,0,0|1,0,0]=2 608 B6R0.2 CC(=O)NC(=N)N TS77165 [0,1,0,0,0,0|3,0,0]=4 609 B6R0.2 CC(=O)NC(=O)C TS31542 [0,1,0,0,0,0|2,0,0]=3 610 B6R0.2 CC(=O)NC(=O)N TS03933 [0,1,0,0,0,0|3,0,0]=4 611 B6R0.2 CC(=O)NC(=S)N TS04730 [0,1,0,0,0,0|3,0,0]=4 612 B6R0.2 CC(=O)OC(=O)C TS31583 [0,1,0,0,0,0|2,0,0]=3 613 B6R0.2 CC(=O)SC(=O)C TS04729 [0,1,0,0,0,0|2,0,0]=3 614 B6R0.2 CC(=SC(=O)C)O TS05893 [0,1,0,0,0,0|2,0,0]=3 615 B6R0.2 CC(C)CC(=C)C TS31451 [0,1,0,0,0,0|2,0,0]=3 616 B6R0.2 CC(C)CC(=O)C TS31526 [0,1,0,0,0,0|1,0,0]=2 617 B6R0.2 CC(C)CC(=O)Cl TS32446 [0,1,0,0,0,0|2,0,0]=3 618 B6R0.2 CC(C)CC(=O)N TS31557 [0,1,0,0,0,0|2,0,0]=3 619 B6R0.2 CC(C)CC(=O)O TS03936 [0,1,0,0,0,0|2,0,0]=3 620 B6R0.2 CC(C)CC(=O)[O-] TS32589 [0,1,0,0,0,0|2,0,0]=3 621 B6R0.2 CC(C)CC(C)Br TS42854 [0,1,0,0,0,0|2,0,1]=4 622 B6R0.2 CC(C)CC(C)C TS03884 [0,1,0,0,0,0|2,0,1]=4 623 B6R0.2 CC(C)CC(C)Cl TS04844 [0,1,0,0,0,0|2,0,1]=4 624 B6R0.2 CC(C)CC(C)N TS31566 [0,1,0,0,0,0|2,0,1]=4 625 B6R0.2 CC(C)CC(C)N TS94386 [0,1,0,0,0,0|2,0,1]=4 626 B6R0.2 CC(C)CC(C)O TS31610 [0,1,0,0,0,0|1,0,2]=4 627 B6R0.2 CC(C)CN(C)C TS03921 [0,1,0,0,0,0|2,0,1]=4 628 B6R0.2 CC(C)NC(=O)N TS31602 [0,1,0,0,0,0|3,0,0]=4 629 B6R0.2 CC(C)OC(=O)C TS01509 [0,1,0,0,0,0|2,0,0]=3 630 B6R0.2 CC(C)OC(=O)Cl TS59649 [0,1,0,0,0,0|3,0,0]=4 631 B6R0.2 CC(C)OC(=O)N TS03993 [0,1,0,0,0,0|3,0,0]=4 632 B6R0.2 CC(C=C(C)C)O TS03862 [0,1,0,0,0,0|2,0,1]=4 633 B6R0.2 CC(CC(=C)C)O TS31505 [0,1,0,0,0,0|2,0,0]=3 634 B6R0.2 CC(CC(=O)O)Cl TS04943 [0,1,0,0,0,0|2,0,0]=3 635 B6R0.2 CC(CC(=O)O)O TS31666 [0,1,0,0,0,0|2,0,0]=3 636 B6R0.2 CC(CC(=O)[O-])O TS94900 [0,1,0,0,0,0|2,0,0]=3 637 B6R0.2 CC(CC(C)Cl)Cl TS06556 [0,1,0,0,0,0|2,0,1]=4 638 B6R0.2 CC(CC(C)O)O TS04029 [0,1,0,0,0,0|1,0,2]=4 639 B6R0.2 CC(CN(C)C)Cl TS41840 [0,1,0,0,0,0|2,0,1]=4 640 B6R0.2 CC(CN(C)C)O TS04008 [0,1,0,0,0,0|1,0,2]=4 641 B6R0.2 CC(OC(=O)Cl)Cl TS46935 [0,1,0,0,0,0|3,0,0]=4 642 B6R0.2 CN(C)CC(=O)O TS08905 [0,1,0,0,0,0|2,0,0]=3 643 B6R0.2 CN(C)CC(=O)O TS37315 [0,1,0,0,0,0|2,0,0]=3 644 B6R0.2 CN(C)CC(=O)[O-] TS36048 [0,1,0,0,0,0|2,0,0]=3 645 B6R0.2 CN(C)CC(=O)[O-] TS37510 [0,1,0,0,0,0|2,0,0]=3 646 B6R0.2 CN(C)CC(=S)N TS09051 [0,1,0,0,0,0|2,1,0]=4 647 B6R0.2 CN(C)CN(C)C TS03971 [0,1,0,0,0,0|3,0,0]=4 648 B6R0.2 CP(C)CP(C)C TS36968 [0,1,0,0,0,0|3,0,0]=4 649 B6R0.2 C[C@@H](CC(=O)O)N TS33131 [0,1,0,0,0,0|2,0,0]=3 650 B6R0.2 C[C@@H](CC(=O)O)N TS37311 [0,1,0,0,0,0|2,0,0]=3 651 B6R0.2 C[C@@H](CC(=O)O)O TS31673 [0,1,0,0,0,0|2,0,0]=3 652 B6R0.2 C[C@@H](CC(=O)[O-])O TS05129 [0,1,0,0,0,0|2,0,0]=3 653 B6R0.2 C[C@@H](CN(C)C)O TS04004 [0,1,0,0,0,0|1,0,2]=4 654 B6R0.2 C[C@@H](C[C@H](C)O)O TS04035 [0,1,0,0,0,0|1,0,2]=4 655 B6R0.2 C[C@H](CC(=O)O)N TS00214 [0,1,0,0,0,0|2,0,0]=3 656 B6R0.2 C[C@H](CC(=O)[O-])O TS05130 [0,1,0,0,0,0|2,0,0]=3 657 B6R0.2 C[C@H](C[C@@H](C)O)O TS04043 [0,1,0,0,0,0|1,0,2]=4 658 B6R0.3 C#CC(C(=O)O)O TS31488 [0,1,0,0,0,0|2,0,1]=4 659 B6R0.3 C(#N)C(C(=O)N)N TS32775 [0,1,0,0,0,0|3,0,0]=4 660 B6R0.3 C(C(C(=O)Cl)Br)Br TS62878 [0,1,0,0,0,0|3,0,0]=4 661 B6R0.3 C(C(C(=O)Cl)Cl)Cl TS11458 [0,1,0,0,0,0|3,0,0]=4 662 B6R0.3 C(C(C(=O)N)Br)Br TS24999 [0,1,0,0,0,0|3,0,0]=4 663 B6R0.3 C(C(C(=O)N)Cl)Cl TS06630 [0,1,0,0,0,0|3,0,0]=4 664 B6R0.3 C(C(C(=O)O)Br)Br TS47141 [0,1,0,0,0,0|3,0,0]=4 665 B6R0.3 C(C(C(=O)O)Cl)Cl TS06814 [0,1,0,0,0,0|3,0,0]=4 666 B6R0.3 C(C(C(=O)O)N)Cl TS04985 [0,1,0,0,0,0|3,0,0]=4 667 B6R0.3 C(C(C(=O)O)N)F TS31750 [0,1,0,0,0,0|3,0,0]=4 668 B6R0.3 C(C(C(=O)O)N)N TS15412 [0,1,0,0,0,0|3,0,0]=4 669 B6R0.3 C(C(C(=O)O)N)N TS55876 [0,1,0,0,0,0|3,0,0]=4 670 B6R0.3 C(C(C(=O)O)N)O TS04070 [0,1,0,0,0,0|3,0,0]=4 671 B6R0.3 C(C(C(=O)O)N)O TS93662 [0,1,0,0,0,0|3,0,0]=4 672 B6R0.3 C(C(C(=O)O)O)Cl TS36024 [0,1,0,0,0,0|3,0,0]=4 673 B6R0.3 C(C(C(=O)O)O)N TS55880 [0,1,0,0,0,0|3,0,0]=4 674 B6R0.3 C(C(C(=O)O)O)O TS31726 [0,1,0,0,0,0|3,0,0]=4 675 B6R0.3 C([C@@H](C(=O)N)N)O TS37447 [0,1,0,0,0,0|3,0,0]=4 676 B6R0.3 C([C@@H](C(=O)O)Br)O TS12635 [0,1,0,0,0,0|3,0,0]=4 677 B6R0.3 C([C@@H](C(=O)O)N)Cl TS04984 [0,1,0,0,0,0|3,0,0]=4 678 B6R0.3 C([C@@H](C(=O)O)N)Cl TS42100 [0,1,0,0,0,0|3,0,0]=4 679 B6R0.3 C([C@@H](C(=O)O)N)N TS01513 [0,1,0,0,0,0|3,0,0]=4 680 B6R0.3 C([C@@H](C(=O)O)N)O TS04071 [0,1,0,0,0,0|3,0,0]=4 681 B6R0.3 C([C@@H](C(=O)O)N)S TS85225 [0,1,0,0,0,0|3,0,0]=4 682 B6R0.3 C([C@@H](C(=O)O)O)Cl TS05066 [0,1,0,0,0,0|3,0,0]=4 683 B6R0.3 C([C@@H](C(=O)O)O)N TS04069 [0,1,0,0,0,0|3,0,0]=4 684 B6R0.3 C([C@H](C(=O)O)N)Cl TS42101 [0,1,0,0,0,0|3,0,0]=4 685 B6R0.3 C([C@H](C(=O)O)N)N TS01408 [0,1,0,0,0,0|3,0,0]=4 686 B6R0.3 C([C@H](C(=O)O)N)N TS04022 [0,1,0,0,0,0|3,0,0]=4 687 B6R0.3 C([C@H](C(=O)O)N)O TS07918 [0,1,0,0,0,0|3,0,0]=4 688 B6R0.3 C([C@H](C(=O)O)N)S TS32459 [0,1,0,0,0,0|3,0,0]=4 689 B6R0.3 C([C@H](C(=O)O)O)N TS04068 [0,1,0,0,0,0|3,0,0]=4 690 B6R0.3 C=CC(C(=O)O)N TS07917 [0,1,0,0,0,0|2,0,1]=4 691 B6R0.3 C=C[C@@H](C(=O)O)N TS31547 [0,1,0,0,0,0|2,0,1]=4 692 B6R0.3 C=C[C@H](C(=O)O)N TS31536 [0,1,0,0,0,0|2,0,1]=4 693 B6R0.3 CC(=C)C(=O)NC TS03820 [0,1,0,0,0,0|2,0,1]=4 694 B6R0.3 CC(=C)C(=O)OC TS31500 [0,1,0,0,0,0|1,1,1]=4 695 B6R0.3 CC(=NO)C(=O)C TS31543 [0,1,0,0,0,0|2,0,1]=4 696 B6R0.3 CC(=O)C(=O)OC TS31579 [0,1,0,0,0,0|0,1,1]=3 697 B6R0.3 CC(=O)N(C)C=C TS59326 [0,1,0,0,0,0|2,0,1]=4 698 B6R0.3 CC(=O)N(C)OC TS56410 [0,1,0,0,0,0|1,1,0]=3 699 B6R0.3 CC(C(=O)C)SC TS32356 [0,1,0,0,0,0|0,0,0]=1 700 B6R0.3 CC(C(=O)O)NC TS31640 [0,1,0,0,0,0|2,0,0]=3 701 B6R0.3 CC(C=C)C(=C)C TS03723 [0,1,0,0,0,0|2,0,1]=4 702 B6R0.3 CC(C=C)C(=O)O TS03843 [0,1,0,0,0,0|2,0,1]=4 703 B6R0.3 CC(CN)C(=O)O TS04859 [0,1,0,0,0,0|3,0,0]=4 704 B6R0.3 CC(CN)C(=O)O TS31641 [0,1,0,0,0,0|3,0,0]=4 705 B6R0.3 CC(CO)C(=O)C TS03953 [0,1,0,0,0,0|2,0,0]=3 706 B6R0.3 CC(CS)C(=O)O TS04823 [0,1,0,0,0,0|3,0,0]=4 707 B6R0.3 CC=C(C)C(=O)C TS31447 [0,1,0,0,0,0|1,0,1]=3 708 B6R0.3 CC=C(C)C(=O)Cl TS04767 [0,1,0,0,0,0|2,0,1]=4 709 B6R0.3 CC=C(C)C(=O)O TS03838 [0,1,0,0,0,0|2,0,1]=4 710 B6R0.3 CC=C(C)C(=O)O TS03840 [0,1,0,0,0,0|2,0,1]=4 711 B6R0.3 CCC(=O)C(=O)C TS03844 [0,1,0,0,0,0|1,0,1]=3 712 B6R0.3 CCC(=O)C(=O)O TS31578 [0,1,0,0,0,0|2,0,1]=4 713 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [0,1,0,0,0,0|2,0,1]=4 714 B6R0.3 CCC(C(=C)C)O TS31517 [0,1,0,0,0,0|2,0,0]=3 715 B6R0.3 CCC(C(=O)Br)Br TS52915 [0,1,0,0,0,0|2,0,0]=3 716 B6R0.3 CCC(C(=O)C)S TS32355 [0,1,0,0,0,0|1,0,0]=2 717 B6R0.3 CCC(C(=O)Cl)Br TS48787 [0,1,0,0,0,0|2,0,0]=3 718 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [0,1,0,0,0,0|2,0,0]=3 719 B6R0.3 CCC(C(=O)N)Cl TS04875 [0,1,0,0,0,0|2,0,0]=3 720 B6R0.3 CCC(C(=O)N)N TS93870 [0,1,0,0,0,0|2,0,0]=3 721 B6R0.3 CCC(C(=O)N)N TS94086 [0,1,0,0,0,0|2,0,0]=3 722 B6R0.3 CCC(C(=O)O)Br TS12329 [0,1,0,0,0,0|2,0,0]=3 723 B6R0.3 CCC(C(=O)O)Cl TS04940 [0,1,0,0,0,0|2,0,0]=3 724 B6R0.3 CCC(C(=O)O)N TS45781 [0,1,0,0,0,0|2,0,0]=3 725 B6R0.3 CCC(C(=O)O)N TS47470 [0,1,0,0,0,0|2,0,0]=3 726 B6R0.3 CCC(C(=O)O)O TS31670 [0,1,0,0,0,0|2,0,0]=3 727 B6R0.3 CCC(C(=O)[O-])O TS05131 [0,1,0,0,0,0|2,0,0]=3 728 B6R0.3 CCC(C(C)Br)Br TS52927 [0,1,0,0,0,0|2,0,1]=4 729 B6R0.3 CCC(C(C)C)O TS03969 [0,1,0,0,0,0|2,0,1]=4 730 B6R0.3 CCC(C(C)Cl)Cl TS06555 [0,1,0,0,0,0|2,0,1]=4 731 B6R0.3 CCC(C)C(=O)C TS31518 [0,1,0,0,0,0|1,0,0]=2 732 B6R0.3 CCC(C)C(=O)Cl TS04836 [0,1,0,0,0,0|2,0,0]=3 733 B6R0.3 CCC(C)C(=O)O TS03945 [0,1,0,0,0,0|2,0,0]=3 734 B6R0.3 CCC(C)C(C)C TS03882 [0,1,0,0,0,0|2,0,1]=4 735 B6R0.3 CCC(C)C(C)O TS03961 [0,1,0,0,0,0|1,0,2]=4 736 B6R0.3 CCC(C)N(C)C TS03924 [0,1,0,0,0,0|3,0,0]=4 737 B6R0.3 CCC([N+](=O)[O-])Cl TS04986 [0,1,0,0,0,0|3,0,0]=4 738 B6R0.3 CCN(C)C(=O)Cl TS56394 [0,1,0,0,0,0|3,0,0]=4 739 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [0,1,0,0,0,0|2,0,0]=3 740 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [0,1,0,0,0,0|2,0,0]=3 741 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [0,1,0,0,0,0|2,0,0]=3 742 B6R0.3 CC[C@H](C(=O)N)N TS93011 [0,1,0,0,0,0|2,0,0]=3 743 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [0,1,0,0,0,0|2,0,0]=3 744 B6R0.3 CC[C@H](C(=O)O)N TS64880 [0,1,0,0,0,0|2,0,0]=3 745 B6R0.3 COC(=O)C(=O)Cl TS34587 [0,1,0,0,0,0|1,1,1]=4 746 B6R0.3 COC(=O)C(=O)N TS31629 [0,1,0,0,0,0|1,1,1]=4 747 B6R0.3 C[C@@H](C(=O)O)NC TS31642 [0,1,0,0,0,0|2,0,0]=3 748 B6R0.3 C[C@@H](C(=O)O)NC TS37312 [0,1,0,0,0,0|2,0,0]=3 749 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [0,1,0,0,0,0|1,1,0]=3 750 B6R0.3 C[C@@H](CO)C(=O)O TS04019 [0,1,0,0,0,0|3,0,0]=4 751 B6R0.3 C[C@H](C(=O)N)OC TS31644 [0,1,0,0,0,0|1,1,0]=3 752 B6R0.3 C[C@H](CCl)C(=O)Cl TS06547 [0,1,0,0,0,0|3,0,0]=4 753 B6R0.3 C[C@H](CO)C(=O)O TS31672 [0,1,0,0,0,0|3,0,0]=4 754 B6R0.4 C#CCCC(=O)O TS03769 [0,1,0,0,0,0|2,0,1]=4 755 B6R0.4 C#CCOC(=O)Cl TS04763 [0,1,0,0,0,0|2,0,1]=4 756 B6R0.4 C(C#CC(=O)O)O TS31490 [0,1,0,0,0,0|2,0,1]=4 757 B6R0.4 C(C(=O)O)NC=O TS31630 [0,1,0,0,0,0|2,0,1]=4 758 B6R0.4 C(C(=O)O)[Se]C#N TS42657 [0,1,0,0,0,0|1,1,1]=4 759 B6R0.4 C(C=CC(=O)O)Br TS42842 [0,1,0,0,0,0|2,0,1]=4 760 B6R0.4 C(C=CC(=O)O)O TS31577 [0,1,0,0,0,0|2,0,1]=4 761 B6R0.4 C(CBr)OC(=O)Cl TS50601 [0,1,0,0,0,0|3,0,0]=4 762 B6R0.4 C(CC(=O)Cl)CBr TS94813 [0,1,0,0,0,0|2,0,0]=3 763 B6R0.4 C(CC(=O)Cl)CCl TS33157 [0,1,0,0,0,0|2,0,0]=3 764 B6R0.4 C(CC(=O)N)CN TS37256 [0,1,0,0,0,0|2,0,0]=3 765 B6R0.4 C(CC(=O)O)C#N TS02729 [0,1,0,0,0,0|2,0,1]=4 766 B6R0.4 C(CC(=O)O)C=O TS31586 [0,1,0,0,0,0|2,0,1]=4 767 B6R0.4 C(CC(=O)O)CBr TS39744 [0,1,0,0,0,0|2,0,0]=3 768 B6R0.4 C(CC(=O)O)CI TS44433 [0,1,0,0,0,0|2,0,0]=3 769 B6R0.4 C(CC(=O)O)CN TS31643 [0,1,0,0,0,0|2,0,0]=3 770 B6R0.4 C(CC(=O)[O-])CO TS01692 [0,1,0,0,0,0|2,0,0]=3 771 B6R0.4 C(CCl)NC(=O)N TS04945 [0,1,0,0,0,0|3,0,0]=4 772 B6R0.4 C(CCl)OC(=O)Cl TS06815 [0,1,0,0,0,0|3,0,0]=4 773 B6R0.4 C(CCl)OC(=O)N TS04987 [0,1,0,0,0,0|3,0,0]=4 774 B6R0.4 C(CO)NC(=O)N TS04021 [0,1,0,0,0,0|3,0,0]=4 775 B6R0.4 C(C[N+](=O)[O-])CO TS04073 [0,1,0,0,0,0|3,0,0]=4 776 B6R0.4 C=CCCC(=O)Cl TS71274 [0,1,0,0,0,0|2,0,1]=4 777 B6R0.4 C=CCCC(=O)O TS31497 [0,1,0,0,0,0|2,0,1]=4 778 B6R0.4 C=CCNC(=O)N TS03854 [0,1,0,0,0,0|2,0,1]=4 779 B6R0.4 C=CCOC(=O)Cl TS33219 [0,1,0,0,0,0|2,0,1]=4 780 B6R0.4 C=CCOC(=O)N TS31538 [0,1,0,0,0,0|2,0,1]=4 781 B6R0.4 C=CCSC(=O)Cl TS06139 [0,1,0,0,0,0|2,0,1]=4 782 B6R0.4 CC#CCC(C)C TS31389 [0,1,0,0,0,0|2,0,1]=4 783 B6R0.4 CC(=C)CCC=C TS03725 [0,1,0,0,0,0|2,0,1]=4 784 B6R0.4 CC(=C)CCCO TS31523 [0,1,0,0,0,0|2,0,0]=3 785 B6R0.4 CC(=CCC=C)C TS03719 [0,1,0,0,0,0|2,0,1]=4 786 B6R0.4 CC(=CCCO)C TS03867 [0,1,0,0,0,0|2,0,1]=4 787 B6R0.4 CC(=CCO[SiH3])C TS04642 [0,1,0,0,0,0|1,2,0]=4 788 B6R0.4 CC(=O)C=COC TS03850 [0,1,0,0,0,0|0,1,1]=3 789 B6R0.4 CC(=O)CCC=C TS31440 [0,1,0,0,0,0|1,0,1]=3 790 B6R0.4 CC(=O)CCCCl TS03260 [0,1,0,0,0,0|1,0,0]=2 791 B6R0.4 CC(=O)CCCO TS39779 [0,1,0,0,0,0|1,0,0]=2 792 B6R0.4 CC(=O)CCSC TS32359 [0,1,0,0,0,0|0,0,0]=1 793 B6R0.4 CC(=O)NCCN TS31596 [0,1,0,0,0,0|2,0,0]=3 794 B6R0.4 CC(=O)NCCO TS03989 [0,1,0,0,0,0|2,0,0]=3 795 B6R0.4 CC(=O)NCCS TS04795 [0,1,0,0,0,0|2,0,0]=3 796 B6R0.4 CC(=O)OCC#C TS03765 [0,1,0,0,0,0|1,0,1]=3 797 B6R0.4 CC(=O)OCC=C TS03845 [0,1,0,0,0,0|1,0,1]=3 798 B6R0.4 CC(=O)OCC=O TS31580 [0,1,0,0,0,0|2,0,0]=3 799 B6R0.4 CC(=O)OCCBr TS55164 [0,1,0,0,0,0|2,0,0]=3 800 B6R0.4 CC(=O)OCCCl TS04941 [0,1,0,0,0,0|2,0,0]=3 801 B6R0.4 CC(=O)OCCO TS31665 [0,1,0,0,0,0|2,0,0]=3 802 B6R0.4 CC(=S)OCC#N TS32147 [0,1,0,0,0,0|2,1,0]=4 803 B6R0.4 CC(=S)OCC=C TS04611 [0,1,0,0,0,0|1,1,1]=4 804 B6R0.4 CC(C)CCCBr TS42858 [0,1,0,0,0,0|2,0,1]=4 805 B6R0.4 CC(C)CCCO TS03963 [0,1,0,0,0,0|2,0,1]=4 806 B6R0.4 CC(C)CCNC TS03922 [0,1,0,0,0,0|2,0,1]=4 807 B6R0.4 CC(CCCBr)Br TS52922 [0,1,0,0,0,0|2,0,1]=4 808 B6R0.4 CC(CCCO)O TS04032 [0,1,0,0,0,0|1,0,2]=4 809 B6R0.4 CC=CCC(C)C TS03790 [0,1,0,0,0,0|2,0,1]=4 810 B6R0.4 CC=NNC(=O)N TS31550 [0,1,0,0,0,0|3,0,0]=4 811 B6R0.4 CCC#CC(=C)C TS03675 [0,1,0,0,0,0|2,0,1]=4 812 B6R0.4 CCC#CC(=O)C TS31369 [0,1,0,0,0,0|1,0,1]=3 813 B6R0.4 CCC#CC(=O)O TS03759 [0,1,0,0,0,0|2,0,1]=4 814 B6R0.4 CCC=CC(=O)C TS31424 [0,1,0,0,0,0|1,0,1]=3 815 B6R0.4 CCC=CC(=O)O TS03448 [0,1,0,0,0,0|2,0,1]=4 816 B6R0.4 CCC=CC(=O)O TS31503 [0,1,0,0,0,0|2,0,1]=4 817 B6R0.4 CCCCC(=C)C TS31452 [0,1,0,0,0,0|2,0,0]=3 818 B6R0.4 CCCCC(=O)Br TS42846 [0,1,0,0,0,0|2,0,0]=3 819 B6R0.4 CCCCC(=O)C TS31529 [0,1,0,0,0,0|1,0,0]=2 820 B6R0.4 CCCCC(=O)Cl TS32451 [0,1,0,0,0,0|2,0,0]=3 821 B6R0.4 CCCCC(=O)N TS31554 [0,1,0,0,0,0|2,0,0]=3 822 B6R0.4 CCCCC(=O)O TS03958 [0,1,0,0,0,0|2,0,0]=3 823 B6R0.4 CCCCC(=O)[O-] TS04789 [0,1,0,0,0,0|2,0,0]=3 824 B6R0.4 CCCCC(=O)[O-] TS30457 [0,1,0,0,0,0|2,0,0]=3 825 B6R0.4 CCCCC(C)Br TS42855 [0,1,0,0,0,0|2,0,1]=4 826 B6R0.4 CCCCC(C)C TS03881 [0,1,0,0,0,0|2,0,1]=4 827 B6R0.4 CCCCC(C)Cl TS04843 [0,1,0,0,0,0|2,0,1]=4 828 B6R0.4 CCCCC(C)I TS44108 [0,1,0,0,0,0|2,0,1]=4 829 B6R0.4 CCCCC(C)N TS31565 [0,1,0,0,0,0|2,0,1]=4 830 B6R0.4 CCCCC(C)O TS31617 [0,1,0,0,0,0|1,0,2]=4 831 B6R0.4 CCCCN(C)C TS03927 [0,1,0,0,0,0|3,0,0]=4 832 B6R0.4 CCCC[C@@H](C)N TS03923 [0,1,0,0,0,0|2,0,1]=4 833 B6R0.4 CCCC[C@@H](C)O TS03965 [0,1,0,0,0,0|1,0,2]=4 834 B6R0.4 CCCC[C@H](C)N TS03919 [0,1,0,0,0,0|2,0,1]=4 835 B6R0.4 CCCC[C@H](C)O TS31613 [0,1,0,0,0,0|1,0,2]=4 836 B6R0.4 CCCC[N+](=O)[O-] TS31647 [0,1,0,0,0,0|3,0,0]=4 837 B6R0.4 CCCC[Si](C)C TS04645 [0,1,0,0,0,0|2,1,0]=4 838 B6R0.4 CCCC[Sn](=O)O TS43570 [0,1,0,0,0,0|3,0,0]=4 839 B6R0.4 CCCNC(=O)N TS31594 [0,1,0,0,0,0|2,0,0]=3 840 B6R0.4 CCCNC(=O)[O-] TS31634 [0,1,0,0,0,0|2,0,0]=3 841 B6R0.4 CCCNC(C)C TS03926 [0,1,0,0,0,0|2,0,1]=4 842 B6R0.4 CCCOC(=O)C TS03949 [0,1,0,0,0,0|1,0,0]=2 843 B6R0.4 CCCOC(=O)Cl TS55808 [0,1,0,0,0,0|2,0,0]=3 844 B6R0.4 CCCON(=O)=O TS04066 [0,1,0,0,0,0|3,0,0]=4 845 B6R0.4 CCCSC(=O)C TS32364 [0,1,0,0,0,0|1,0,0]=2 846 B6R0.4 CCCSC(=O)Cl TS06329 [0,1,0,0,0,0|2,0,0]=3 847 B6R0.4 CCCSC(C)C TS32368 [0,1,0,0,0,0|2,0,1]=4 848 B6R0.4 CCNCC(=C)C TS03829 [0,1,0,0,0,0|2,0,0]=3 849 B6R0.4 CCNCC(=O)O TS01936 [0,1,0,0,0,0|2,0,0]=3 850 B6R0.4 CCOCC(=O)O TS16814 [0,1,0,0,0,0|1,1,0]=3 851 B6R0.4 CCOCC(C)C TS03959 [0,1,0,0,0,0|1,1,1]=4 852 B6R0.4 CCSCC(=O)C TS32360 [0,1,0,0,0,0|0,0,0]=1 853 B6R0.4 CCSCC(=O)O TS04822 [0,1,0,0,0,0|1,0,0]=2 854 B6R0.4 CCSCC(C)C TS04752 [0,1,0,0,0,0|1,0,1]=3 855 B6R0.4 CN(C)CCCN TS39904 [0,1,0,0,0,0|3,0,0]=4 856 B6R0.4 CN(C)CCCO TS03999 [0,1,0,0,0,0|3,0,0]=4 857 B6R0.4 CNCCC(=O)O TS03990 [0,1,0,0,0,0|2,0,0]=3 858 B6R0.4 CNCCN(C)C TS39408 [0,1,0,0,0,0|3,0,0]=4 859 B6R0.4 COCCC(=O)O TS31660 [0,1,0,0,0,0|1,1,0]=3 860 B6R0.5 CC(C)(COC)O TS04041 [0,1,0,0,0,0|0,1,2]=4 861 B6R0.5 CCCC(C)(C)Br TS42852 [0,1,0,0,0,0|2,0,1]=4 862 B6R0.5 CCCC(C)(C)C TS03883 [0,1,0,0,0,0|2,0,1]=4 863 B6R0.5 CCCC(C)(C)Cl TS04846 [0,1,0,0,0,0|2,0,1]=4 864 B6R0.5 CCCC(C)(C)O TS31616 [0,1,0,0,0,0|1,0,2]=4 865 B6R0.5 CCCC(C)(C)S TS04754 [0,1,0,0,0,0|1,1,1]=4 866 B6R0.5 CCCP(=O)(O)O TS05003 [0,1,0,0,0,0|3,0,0]=4 867 B6R0.5 CCCS(=O)(=O)Cl TS06808 [0,1,0,0,0,0|3,0,0]=4 868 B6R0.5 CCCS(=O)(=O)N TS32582 [0,1,0,0,0,0|3,0,0]=4 869 B6R0.5 CCCS(=O)(=O)O TS47023 [0,1,0,0,0,0|3,0,0]=4 870 B6R0.5 CCCS(=O)(=O)[O-] TS40368 [0,1,0,0,0,0|3,0,0]=4 871 B6R0.5 CCCS(=O)(=O)[O-] TS93317 [0,1,0,0,0,0|3,0,0]=4 872 B6R0.5 CCC[Si](C)(C)Cl TS06146 [0,1,0,0,0,0|2,1,0]=4 873 B6R0.5 CCOS(=O)(=O)C TS05031 [0,1,0,0,0,0|3,0,0]=4 874 B6R0.5 CNCP(=O)(O)O TS36043 [0,1,0,0,0,0|3,0,0]=4 875 B6R0.5 COC[Si](C)(C)C TS04759 [0,1,0,0,0,0|1,2,0]=4 876 B6R0.5 CS(=O)(=O)CC#N TS04784 [0,1,0,0,0,0|3,0,0]=4 877 B6R0.5 CS(=O)(=O)CCN TS32778 [0,1,0,0,0,0|3,0,0]=4 878 B6R0.5 CS(=O)(=O)CCO TS05032 [0,1,0,0,0,0|3,0,0]=4 879 B6R1.2 C1C(=O)NCN1 TS32972 [0,0,0,1,0,0|2,0,0]=3 880 B6R1.2 C1C(=O)O[Pt]O1 TS23018 [0,0,0,1,0,0|2,1,0]=4 881 B6R1.2 C1C=CC(=O)N1 TS71697 [0,0,0,1,0,0|2,0,1]=4 882 B6R1.2 C1C=CC(=O)O1 TS03476 [0,0,0,1,0,0|2,0,1]=4 883 B6R1.2 C1C=CCC1=O TS03462 [0,0,0,1,0,0|1,0,1]=3 884 B6R1.2 C1CC(=N)SC1 TS03910 [0,0,0,1,0,0|2,1,0]=4 885 B6R1.2 C1CC(=NC1)N TS04838 [0,0,0,1,0,0|3,0,0]=4 886 B6R1.2 C1CC(=O)C=C1 TS00977 [0,0,0,1,0,0|1,0,1]=3 887 B6R1.2 C1CC(=O)NC1 TS39938 [0,0,0,1,0,0|2,0,0]=3 888 B6R1.2 C1CC(=O)NC1 TS63365 [0,0,0,1,0,0|2,0,0]=3 889 B6R1.2 C1CC(=O)SC1 TS31607 [0,0,0,1,0,0|2,0,0]=3 890 B6R1.2 C1CC(=S)NC1 TS03912 [0,0,0,1,0,0|2,1,0]=4 891 B6R1.2 C1CC=C(C1)Cl TS31619 [0,0,0,1,0,0|2,0,1]=4 892 B6R1.2 C1CCC(=O)C1 TS03493 [0,0,0,1,0,0|1,0,0]=2 893 B6R1.2 C1CCC(C1)Br TS55827 [0,0,0,1,0,0|2,0,1]=4 894 B6R1.2 C1CCC(C1)Br TS68904 [0,0,0,1,0,0|2,0,1]=4 895 B6R1.2 C1CCC(C1)Cl TS04055 [0,0,0,1,0,0|2,0,1]=4 896 B6R1.2 C1CCC(C1)I TS18162 [0,0,0,1,0,0|2,0,1]=4 897 B6R1.2 C1CCC(C1)N TS34563 [0,0,0,1,0,0|2,0,1]=4 898 B6R1.2 C1CCC(C1)O TS71762 [0,0,0,1,0,0|1,0,2]=4 899 B6R1.2 C1CCC(C1)S TS03980 [0,0,0,1,0,0|1,1,1]=4 900 B6R1.2 C1CCC(C1)[SiH3] TS03890 [0,0,0,1,0,0|2,0,1]=4 901 B6R1.2 C1CCC(C1)[Zn+] TS44590 [0,0,0,1,0,0|2,0,1]=4 902 B6R1.2 C1CCN(C1)N TS03537 [0,0,0,1,0,0|3,0,0]=4 903 B6R1.2 C1CCN(C1)N TS32538 [0,0,0,1,0,0|3,0,0]=4 904 B6R1.2 C1CCS(=O)C1 TS31677 [0,0,0,1,0,0|2,0,0]=3 905 B6R1.2 C1CNC(=O)N1 TS93146 [0,0,0,1,0,0|3,0,0]=4 906 B6R1.2 C1CNCC1=O TS88446 [0,0,0,1,0,0|1,0,0]=2 907 B6R1.2 C1CNCC1F TS36083 [0,0,0,1,0,0|2,0,1]=4 908 B6R1.2 C1CNCC1F TS46663 [0,0,0,1,0,0|2,0,1]=4 909 B6R1.2 C1CNCC1N TS32537 [0,0,0,1,0,0|2,0,1]=4 910 B6R1.2 C1CNCC1O TS02802 [0,0,0,1,0,0|1,0,2]=4 911 B6R1.2 C1CNC[C@@H]1F TS00303 [0,0,0,1,0,0|2,0,1]=4 912 B6R1.2 C1CNC[C@@H]1F TS03597 [0,0,0,1,0,0|2,0,1]=4 913 B6R1.2 C1CNC[C@@H]1N TS03541 [0,0,0,1,0,0|2,0,1]=4 914 B6R1.2 C1CNC[C@@H]1N TS42016 [0,0,0,1,0,0|2,0,1]=4 915 B6R1.2 C1CNC[C@@H]1O TS87275 [0,0,0,1,0,0|1,0,2]=4 916 B6R1.2 C1CNC[C@@H]1O TS87623 [0,0,0,1,0,0|1,0,2]=4 917 B6R1.2 C1CNC[C@H]1F TS08083 [0,0,0,1,0,0|2,0,1]=4 918 B6R1.2 C1CNC[C@H]1F TS88030 [0,0,0,1,0,0|2,0,1]=4 919 B6R1.2 C1CNC[C@H]1N TS39939 [0,0,0,1,0,0|2,0,1]=4 920 B6R1.2 C1CNC[C@H]1N TS42017 [0,0,0,1,0,0|2,0,1]=4 921 B6R1.2 C1CNC[C@H]1O TS46618 [0,0,0,1,0,0|1,0,2]=4 922 B6R1.2 C1CNC[C@H]1O TS46665 [0,0,0,1,0,0|1,0,2]=4 923 B6R1.2 C1CNC[C@H]1O TS91049 [0,0,0,1,0,0|1,0,2]=4 924 B6R1.2 C1CNC[C@H]1O TS94423 [0,0,0,1,0,0|1,0,2]=4 925 B6R1.2 C1CNNC1=O TS04946 [0,0,0,1,0,0|2,0,0]=3 926 B6R1.2 C1COC(=O)N1 TS03552 [0,0,0,1,0,0|3,0,0]=4 927 B6R1.2 C1COC(=O)O1 TS71793 [0,0,0,1,0,0|3,0,0]=4 928 B6R1.2 C1COCC1=O TS01440 [0,0,0,1,0,0|0,1,0]=2 929 B6R1.2 C1COCC1Br TS88092 [0,0,0,1,0,0|1,1,1]=4 930 B6R1.2 C1COCC1Cl TS31737 [0,0,0,1,0,0|1,1,1]=4 931 B6R1.2 C1COCC1I TS86694 [0,0,0,1,0,0|1,1,1]=4 932 B6R1.2 C1COCC1N TS89945 [0,0,0,1,0,0|1,1,1]=4 933 B6R1.2 C1COCC1O TS06712 [0,0,0,1,0,0|0,1,2]=4 934 B6R1.2 C1COCC1O TS59434 [0,0,0,1,0,0|0,1,2]=4 935 B6R1.2 C1COCC1O TS89114 [0,0,0,1,0,0|0,1,2]=4 936 B6R1.2 C1COC[C@@H]1I TS91739 [0,0,0,1,0,0|1,1,1]=4 937 B6R1.2 C1COC[C@@H]1N TS04989 [0,0,0,1,0,0|1,1,1]=4 938 B6R1.2 C1COC[C@@H]1N TS85171 [0,0,0,1,0,0|1,1,1]=4 939 B6R1.2 C1COC[C@@H]1O TS01967 [0,0,0,1,0,0|0,1,2]=4 940 B6R1.2 C1COC[C@H]1I TS88696 [0,0,0,1,0,0|1,1,1]=4 941 B6R1.2 C1COC[C@H]1N TS46680 [0,0,0,1,0,0|1,1,1]=4 942 B6R1.2 C1COC[C@H]1O TS59862 [0,0,0,1,0,0|0,1,2]=4 943 B6R1.2 C1CSC(=O)N1 TS03996 [0,0,0,1,0,0|3,0,0]=4 944 B6R1.2 C1CSCC1=O TS81072 [0,0,0,1,0,0|0,0,0]=1 945 B6R1.2 C1CSCC1Cl TS32541 [0,0,0,1,0,0|1,0,1]=3 946 B6R1.2 C1CSCC1N TS04016 [0,0,0,1,0,0|1,0,1]=3 947 B6R1.2 C1CSCC1O TS31682 [0,0,0,1,0,0|0,0,2]=3 948 B6R1.2 CC1=CCCC1 TS71683 [0,0,0,1,0,0|2,0,0]=3 949 B6R1.2 CC1=CCCO1 TS03492 [0,0,0,1,0,0|1,0,2]=4 950 B6R1.2 CC1=NCCC1 TS32917 [0,0,0,1,0,0|2,0,0]=3 951 B6R1.2 CC1=NCCO1 TS71733 [0,0,0,1,0,0|2,0,1]=4 952 B6R1.2 CC1=NCCS1 TS03913 [0,0,0,1,0,0|2,1,0]=4 953 B6R1.2 CC1CCCC1 TS22155 [0,0,0,1,0,0|2,0,1]=4 954 B6R1.2 CC1CCCC1 TS22325 [0,0,0,1,0,0|2,0,1]=4 955 B6R1.2 CC1CCCC1 TS31194 [0,0,0,1,0,0|2,0,1]=4 956 B6R1.2 CC1CCCC1 TS69413 [0,0,0,1,0,0|2,0,1]=4 957 B6R1.2 CC1CCCC1 TS77214 [0,0,0,1,0,0|2,0,1]=4 958 B6R1.2 CC1CCCC1 TS77590 [0,0,0,1,0,0|2,0,1]=4 959 B6R1.2 CC1CCCN1 TS03512 [0,0,0,1,0,0|2,0,1]=4 960 B6R1.2 CC1CCCO1 TS71748 [0,0,0,1,0,0|1,0,2]=4 961 B6R1.2 CC1CCCS1 TS03982 [0,0,0,1,0,0|1,1,1]=4 962 B6R1.2 CC1CCNC1 TS04878 [0,0,0,1,0,0|2,0,1]=4 963 B6R1.2 CC1CCOC1 TS71755 [0,0,0,1,0,0|1,1,1]=4 964 B6R1.2 CC1CCSC1 TS03984 [0,0,0,1,0,0|1,0,1]=3 965 B6R1.2 CC1COCO1 TS03579 [0,0,0,1,0,0|0,1,2]=4 966 B6R1.2 CN1CCCC1 TS85196 [0,0,0,1,0,0|3,0,0]=4 967 B6R1.2 C[C@@H]1CCNC1 TS46531 [0,0,0,1,0,0|2,0,1]=4 968 B6R1.2 C[C@H]1CCCN1 TS08127 [0,0,0,1,0,0|2,0,1]=4 969 B6R1.2 C[C@H]1CCCN1 TS59864 [0,0,0,1,0,0|2,0,1]=4 970 B6R1.2 C[C@H]1CCNC1 TS04879 [0,0,0,1,0,0|2,0,1]=4 971 B6R1.2 Cc1ccsc1 TS70682 [0,0,0,1,0,0|1,0,2]=4 972 B6R1.2 Cc1ccsn1 TS39717 [0,0,0,1,0,0|2,0,1]=4 973 B6R1.2 Cc1cscn1 TS71246 [0,0,0,1,0,0|1,0,2]=4 974 B6R1.2 Cc1csnn1 TS03855 [0,0,0,1,0,0|2,0,1]=4 975 B6R1.3 CCC[C@H]1CO1 TS71750 [0,0,0,1,0,0|1,0,2]=4 976 B6R1.3 COC[C@@H]1CO1 TS03586 [0,0,0,1,0,0|0,1,2]=4 977 B6R1.3 COC[C@H]1CO1 TS03578 [0,0,0,1,0,0|0,1,2]=4 978 B6R1.3 CSCC1CO1 TS31681 [0,0,0,1,0,0|0,0,2]=3 979 B6R1.5 C1C(CC1=O)Br TS90589 [0,0,0,1,0,0|2,0,0]=3 980 B6R1.5 C1C(CC1=O)F TS92277 [0,0,0,1,0,0|2,0,0]=3 981 B6R1.5 C1C(CC1=O)N TS88191 [0,0,0,1,0,0|2,0,0]=3 982 B6R1.5 C=C1CC(=O)O1 TS55716 [0,0,0,1,0,0|2,0,1]=4 983 B6R1.5 CC1CC(=O)N1 TS71735 [0,0,0,1,0,0|2,0,0]=3 984 B6R1.5 CN1CC(C1)N TS07739 [0,0,0,1,0,0|2,0,1]=4 985 B6R1.5 CN1CC(C1)N TS88962 [0,0,0,1,0,0|2,0,1]=4 986 B6R1.5 CN1CC(C1)O TS90519 [0,0,0,1,0,0|1,0,2]=4 987 B6R1.8 C=C1CC1CO TS03490 [0,0,0,1,0,0|3,0,0]=4 988 B6R1.8 CC[C@@H]1C[C@@H]1C TS71712 [0,0,0,1,0,0|2,0,1]=4 989 B6R1.9 CC1CC1(C)C TS71716 [0,0,0,1,0,0|2,0,1]=4 990 B6R1.10 C1CS(=O)(=O)C1 TS04092 [0,0,0,1,0,0|3,0,0]=4 991 B6R1.10 CC1(CCC1)N TS03516 [0,0,0,1,0,0|2,0,1]=4 992 B6R1.10 CC1(CNC1)C TS92077 [0,0,0,1,0,0|2,0,1]=4 993 B6R1.10 CC1(CNC1)F TS91843 [0,0,0,1,0,0|2,0,1]=4 994 B6R1.10 CC1(CNC1)N TS87747 [0,0,0,1,0,0|2,0,1]=4 995 B6R1.10 CC1(CNC1)O TS89652 [0,0,0,1,0,0|1,0,2]=4 996 B6R1.10 CC1(COC1)N TS03565 [0,0,0,1,0,0|1,1,1]=4 997 B6R1.10 CC1(COC1)O TS86475 [0,0,0,1,0,0|0,1,2]=4 998 B6R1.10 C[Si]1(CCC1)C TS03887 [0,0,0,1,0,0|2,1,0]=4 999 B6R1.10 C[Si]1(CCC1)Cl TS04848 [0,0,0,1,0,0|2,1,0]=4 1000 B6R1.11 C1C(O1)C(=O)N TS03556 [0,0,0,1,0,0|1,1,0]=3 1001 B6R1.11 C1C(O1)C(=O)O TS71796 [0,0,0,1,0,0|1,1,0]=3 1002 B6R1.11 C1CC1C(=N)N TS03501 [0,0,0,1,0,0|3,0,0]=4 1003 B6R1.11 C1CC1C(=N)N TS04839 [0,0,0,1,0,0|3,0,0]=4 1004 B6R1.11 C1CC1C(=O)Cl TS22948 [0,0,0,1,0,0|2,0,0]=3 1005 B6R1.11 C1CC1C(=O)N TS55831 [0,0,0,1,0,0|2,0,0]=3 1006 B6R1.11 C1CC1C(=O)O TS55832 [0,0,0,1,0,0|2,0,0]=3 1007 B6R1.11 C1CC1C(=S)N TS94892 [0,0,0,1,0,0|2,1,0]=4 1008 B6R1.11 C1[C@H](N1)C(=O)[O-] TS71873 [0,0,0,1,0,0|2,0,0]=3 1009 B6R1.11 CC(=O)C1CC1 TS39597 [0,0,0,1,0,0|1,0,0]=2 1010 B6R1.11 CC(=O)C1CO1 TS03532 [0,0,0,1,0,0|0,1,0]=2 1011 B6R1.11 CC(=O)N1CC1 TS03506 [0,0,0,1,0,0|2,0,0]=3 1012 B6R1.11 CC(C)C1CC1 TS71711 [0,0,0,1,0,0|2,0,1]=4 1013 B6R1.11 C[C@@H](C1CC1)N TS03514 [0,0,0,1,0,0|2,0,1]=4 1014 B6R1.11 C[C@H](C1CC1)N TS03515 [0,0,0,1,0,0|2,0,1]=4 1015 B3R0.1 C#CC=O TS65569 [2,0,0,0,0,0|0,0,2]=4 1016 B3R0.1 C(=O)C=O TS02414 [2,0,0,0,0,0|0,1,1]=4 1017 B3R0.1 C(=O)C=O TS73473 [2,0,0,0,0,0|0,1,1]=4 1018 B3R0.1 C(=O)NN TS02435 [2,0,0,0,0,0|2,0,0]=4 1019 B3R0.1 C(=O)OO TS65600 [2,0,0,0,0,0|1,1,0]=4 1020 B3R0.1 C(C=O)Cl TS15061 [2,0,0,0,0,0|1,0,0]=3 1021 B3R0.1 C(C=O)Cl TS71651 [2,0,0,0,0,0|1,0,0]=3 1022 B3R0.1 C(C=O)O TS02433 [2,0,0,0,0,0|0,1,0]=3 1023 B3R0.1 C(CS)N TS03420 [2,0,0,0,0,0|1,0,1]=4 1024 B3R0.1 C(CS)N TS39644 [2,0,0,0,0,0|1,0,1]=4 1025 B3R0.1 C(CS)O TS71649 [2,0,0,0,0,0|0,0,2]=4 1026 B3R0.1 C(CS)S TS74490 [2,0,0,0,0,0|0,1,1]=4 1027 B3R0.1 C=CC=O TS33215 [2,0,0,0,0,0|0,0,2]=4 1028 B3R0.1 C=CCBr TS39710 [2,0,0,0,0,0|1,0,1]=4 1029 B3R0.1 C=CCCl TS03413 [2,0,0,0,0,0|1,0,1]=4 1030 B3R0.1 C=CCF TS65583 [2,0,0,0,0,0|1,0,1]=4 1031 B3R0.1 C=CCI TS93895 [2,0,0,0,0,0|1,0,1]=4 1032 B3R0.1 C=CCN TS01644 [2,0,0,0,0,0|1,0,1]=4 1033 B3R0.1 C=CCO TS02418 [2,0,0,0,0,0|0,1,1]=4 1034 B3R0.1 C=CCS TS71619 [2,0,0,0,0,0|0,0,1]=3 1035 B3R0.1 CC=C=C TS65572 [2,0,0,0,0,0|0,0,2]=4 1036 B3R0.1 CC=CBr TS00041 [2,0,0,0,0,0|1,0,1]=4 1037 B3R0.1 CC=CCl TS03412 [2,0,0,0,0,0|1,0,1]=4 1038 B3R0.1 CC=CCl TS03414 [2,0,0,0,0,0|1,0,1]=4 1039 B3R0.1 CC=NO TS02427 [2,0,0,0,0,0|1,1,0]=4 1040 B3R0.1 CCC#C TS65570 [2,0,0,0,0,0|0,0,2]=4 1041 B3R0.1 CCC#N TS65577 [2,0,0,0,0,0|1,0,1]=4 1042 B3R0.1 CCC=C TS02407 [2,0,0,0,0,0|0,0,1]=3 1043 B3R0.1 CCC=O TS02416 [2,0,0,0,0,0|0,0,0]=2 1044 B3R0.1 CCC=S TS71851 [2,0,0,0,0,0|0,1,0]=3 1045 B3R0.1 CCCBr TS00040 [2,0,0,0,0,0|1,0,1]=4 1046 B3R0.1 CCCCl TS71653 [2,0,0,0,0,0|1,0,1]=4 1047 B3R0.1 CCCF TS65692 [2,0,0,0,0,0|1,0,1]=4 1048 B3R0.1 CCCI TS45076 [2,0,0,0,0,0|1,0,1]=4 1049 B3R0.1 CCCN TS02429 [2,0,0,0,0,0|1,0,1]=4 1050 B3R0.1 CCCN TS03705 [2,0,0,0,0,0|1,0,1]=4 1051 B3R0.1 CCCS TS03410 [2,0,0,0,0,0|0,0,1]=3 1052 B3R0.1 CCC[O-] TS03458 [2,0,0,0,0,0|0,0,2]=4 1053 B3R0.1 CCC[O-] TS37676 [2,0,0,0,0,0|0,0,2]=4 1054 B3R0.1 CCC[O-] TS56091 [2,0,0,0,0,0|0,0,2]=4 1055 B3R0.1 CCC[S-] TS03782 [2,0,0,0,0,0|0,0,2]=4 1056 B3R0.1 CCNC TS03706 [2,0,0,0,0,0|1,0,0]=3 1057 B3R0.1 CCNC TS16623 [2,0,0,0,0,0|1,0,0]=3 1058 B3R0.1 CCNO TS64941 [2,0,0,0,0,0|1,0,1]=4 1059 B3R0.1 CCOC TS65588 [2,0,0,0,0,0|0,1,0]=3 1060 B3R0.1 CCON TS31411 [2,0,0,0,0,0|1,1,0]=4 1061 B3R0.1 CCSC TS71648 [2,0,0,0,0,0|0,0,0]=2 1062 B3R0.1 CC[Hg]Cl TS30124 [2,0,0,0,0,0|2,0,0]=4 1063 B3R0.1 CC[Mg]Br TS36790 [2,0,0,0,0,0|2,0,0]=4 1064 B3R0.1 CC[Mg]I TS93021 [2,0,0,0,0,0|2,0,0]=4 1065 B3R0.1 CNC=O TS39915 [2,0,0,0,0,0|1,0,0]=3 1066 B3R0.1 CNNC TS05803 [2,0,0,0,0,0|2,0,0]=4 1067 B3R0.1 CNNC TS65590 [2,0,0,0,0,0|2,0,0]=4 1068 B3R0.1 CNOC TS01578 [2,0,0,0,0,0|1,1,0]=4 1069 B3R0.1 COC=C TS02419 [2,0,0,0,0,0|0,1,1]=4 1070 B3R0.1 COC=O TS02434 [2,0,0,0,0,0|0,1,0]=3 1071 B3R0.1 COCBr TS36040 [2,0,0,0,0,0|1,1,0]=4 1072 B3R0.1 COCCl TS56228 [2,0,0,0,0,0|1,1,0]=4 1073 B3R0.1 COCI TS13091 [2,0,0,0,0,0|1,1,0]=4 1074 B3R0.1 CSC#N TS03380 [2,0,0,0,0,0|1,0,1]=4 1075 B3R0.1 CSSC TS34583 [2,0,0,0,0,0|1,0,0]=3 1076 B3R0.1 C[Se][Se]C TS15888 [2,0,0,0,0,0|1,1,0]=4 1077 B3R0.1 C[SiH2]C[SiH3] TS03630 [2,0,0,0,0,0|0,2,0]=4 1078 B3R0.2 B(C)(C)C TS02403 [2,0,0,0,0,0|2,0,0]=4 1079 B3R0.2 BC(=O)O TS31626 [2,0,0,0,0,0|1,1,0]=4 1080 B3R0.2 BC(=O)O TS71624 [2,0,0,0,0,0|1,1,0]=4 1081 B3R0.2 C(=O)(Cl)Cl TS31459 [2,0,0,0,0,0|2,0,0]=4 1082 B3R0.2 C(=O)(Cl)[Au+] TS68420 [2,0,0,0,0,0|2,0,0]=4 1083 B3R0.2 C(=O)(F)Cl TS71691 [2,0,0,0,0,0|2,0,0]=4 1084 B3R0.2 C(=O)(F)F TS02705 [2,0,0,0,0,0|2,0,0]=4 1085 B3R0.2 C(=O)(N)N TS03623 [2,0,0,0,0,0|2,0,0]=4 1086 B3R0.2 C(=O)(N)N TS07204 [2,0,0,0,0,0|2,0,0]=4 1087 B3R0.2 C(=O)(N)N TS32547 [2,0,0,0,0,0|2,0,0]=4 1088 B3R0.2 C(=O)(N)N TS39967 [2,0,0,0,0,0|2,0,0]=4 1089 B3R0.2 C(=O)(N)N TS65581 [2,0,0,0,0,0|2,0,0]=4 1090 B3R0.2 C(=O)(N)O TS66709 [2,0,0,0,0,0|1,1,0]=4 1091 B3R0.2 C(=O)(N)[O-] TS03427 [2,0,0,0,0,0|1,1,0]=4 1092 B3R0.2 C(=O)(O)[O-] TS03472 [2,0,0,0,0,0|1,1,0]=4 1093 B3R0.2 C(=O)(O)[O-] TS31493 [2,0,0,0,0,0|1,1,0]=4 1094 B3R0.2 C(=O)(O)[O-] TS64311 [2,0,0,0,0,0|1,1,0]=4 1095 B3R0.2 C(=O)(O)[O-] TS71655 [2,0,0,0,0,0|1,1,0]=4 1096 B3R0.2 C(=O)(O)[O-] TS73178 [2,0,0,0,0,0|1,1,0]=4 1097 B3R0.2 C(=O)(O)[O-] TS93155 [2,0,0,0,0,0|1,1,0]=4 1098 B3R0.2 C(=O)(O)[O-] TS93188 [2,0,0,0,0,0|1,1,0]=4 1099 B3R0.2 C(=O)([O-])[O-] TS03387 [2,0,0,0,0,0|1,1,0]=4 1100 B3R0.2 C(=O)([O-])[O-] TS03713 [2,0,0,0,0,0|1,1,0]=4 1101 B3R0.2 C(=O)([O-])[O-] TS04776 [2,0,0,0,0,0|1,1,0]=4 1102 B3R0.2 C(=O)([O-])[O-] TS04890 [2,0,0,0,0,0|1,1,0]=4 1103 B3R0.2 C(=O)([O-])[O-] TS04999 [2,0,0,0,0,0|1,1,0]=4 1104 B3R0.2 C(=O)([O-])[O-] TS06152 [2,0,0,0,0,0|1,1,0]=4 1105 B3R0.2 C(=O)([O-])[O-] TS07394 [2,0,0,0,0,0|1,1,0]=4 1106 B3R0.2 C(=O)([O-])[O-] TS10713 [2,0,0,0,0,0|1,1,0]=4 1107 B3R0.2 C(=O)([O-])[O-] TS13249 [2,0,0,0,0,0|1,1,0]=4 1108 B3R0.2 C(=O)([O-])[O-] TS31492 [2,0,0,0,0,0|1,1,0]=4 1109 B3R0.2 C(=O)([O-])[O-] TS31721 [2,0,0,0,0,0|1,1,0]=4 1110 B3R0.2 C(=O)([O-])[O-] TS32136 [2,0,0,0,0,0|1,1,0]=4 1111 B3R0.2 C(=O)([O-])[O-] TS34910 [2,0,0,0,0,0|1,1,0]=4 1112 B3R0.2 C(=O)([O-])[O-] TS36076 [2,0,0,0,0,0|1,1,0]=4 1113 B3R0.2 C(=O)([O-])[O-] TS37206 [2,0,0,0,0,0|1,1,0]=4 1114 B3R0.2 C(=O)([O-])[O-] TS39946 [2,0,0,0,0,0|1,1,0]=4 1115 B3R0.2 C(=O)([O-])[O-] TS40137 [2,0,0,0,0,0|1,1,0]=4 1116 B3R0.2 C(=O)([O-])[O-] TS59750 [2,0,0,0,0,0|1,1,0]=4 1117 B3R0.2 C(=O)([O-])[O-] TS66263 [2,0,0,0,0,0|1,1,0]=4 1118 B3R0.2 C(=O)([O-])[O-] TS71725 [2,0,0,0,0,0|1,1,0]=4 1119 B3R0.2 C(=O)([O-])[O-] TS72053 [2,0,0,0,0,0|1,1,0]=4 1120 B3R0.2 C(=O)([O-])[O-] TS72210 [2,0,0,0,0,0|1,1,0]=4 1121 B3R0.2 C(=O)([O-])[O-] TS72393 [2,0,0,0,0,0|1,1,0]=4 1122 B3R0.2 C(=O)([O-])[O-] TS72461 [2,0,0,0,0,0|1,1,0]=4 1123 B3R0.2 C(=O)([O-])[O-] TS72660 [2,0,0,0,0,0|1,1,0]=4 1124 B3R0.2 C(=O)([O-])[O-] TS73030 [2,0,0,0,0,0|1,1,0]=4 1125 B3R0.2 C(=O)([O-])[O-] TS73353 [2,0,0,0,0,0|1,1,0]=4 1126 B3R0.2 C(=O)([O-])[O-] TS75534 [2,0,0,0,0,0|1,1,0]=4 1127 B3R0.2 C(=O)([O-])[O-] TS83041 [2,0,0,0,0,0|1,1,0]=4 1128 B3R0.2 C(=O)([O-])[O-] TS83243 [2,0,0,0,0,0|1,1,0]=4 1129 B3R0.2 C(=O)([O-])[O-] TS83378 [2,0,0,0,0,0|1,1,0]=4 1130 B3R0.2 C(=O)([O-])[O-] TS83401 [2,0,0,0,0,0|1,1,0]=4 1131 B3R0.2 C(=O)([O-])[O-] TS83551 [2,0,0,0,0,0|1,1,0]=4 1132 B3R0.2 C(=O)([O-])[O-] TS83636 [2,0,0,0,0,0|1,1,0]=4 1133 B3R0.2 C(=O)([O-])[O-] TS84117 [2,0,0,0,0,0|1,1,0]=4 1134 B3R0.2 C(=O)([O-])[O-] TS93144 [2,0,0,0,0,0|1,1,0]=4 1135 B3R0.2 C(=O)([O-])[O-] TS93580 [2,0,0,0,0,0|1,1,0]=4 1136 B3R0.2 C(=O)([O-])[O-] TS94687 [2,0,0,0,0,0|1,1,0]=4 1137 B3R0.2 C(=O)([O-])[O-] TS94697 [2,0,0,0,0,0|1,1,0]=4 1138 B3R0.2 C(=O)([O-])[O-] TS94719 [2,0,0,0,0,0|1,1,0]=4 1139 B3R0.2 C(=O)([O-])[O-] TS94721 [2,0,0,0,0,0|1,1,0]=4 1140 B3R0.2 C(=O)([O-])[O-] TS94747 [2,0,0,0,0,0|1,1,0]=4 1141 B3R0.2 CC(=C)Br TS04851 [2,0,0,0,0,0|1,0,1]=4 1142 B3R0.2 CC(=C)C TS02408 [2,0,0,0,0,0|1,0,0]=3 1143 B3R0.2 CC(=C)C TS12599 [2,0,0,0,0,0|1,0,0]=3 1144 B3R0.2 CC(=C)F TS65582 [2,0,0,0,0,0|1,0,1]=4 1145 B3R0.2 CC(=C)I TS43297 [2,0,0,0,0,0|1,0,1]=4 1146 B3R0.2 CC(=N)N TS01338 [2,0,0,0,0,0|2,0,0]=4 1147 B3R0.2 CC(=N)N TS32338 [2,0,0,0,0,0|2,0,0]=4 1148 B3R0.2 CC(=O)Br TS32543 [2,0,0,0,0,0|1,0,0]=3 1149 B3R0.2 CC(=O)C TS02420 [2,0,0,0,0,0|0,0,0]=2 1150 B3R0.2 CC(=O)C TS42396 [2,0,0,0,0,0|0,0,0]=2 1151 B3R0.2 CC(=O)Cl TS71652 [2,0,0,0,0,0|1,0,0]=3 1152 B3R0.2 CC(=O)F TS65601 [2,0,0,0,0,0|1,0,0]=3 1153 B3R0.2 CC(=O)I TS45073 [2,0,0,0,0,0|1,0,0]=3 1154 B3R0.2 CC(=O)N TS02426 [2,0,0,0,0,0|1,0,0]=3 1155 B3R0.2 CC(=O)O TS02283 [2,0,0,0,0,0|0,1,0]=3 1156 B3R0.2 CC(=O)O TS02432 [2,0,0,0,0,0|0,1,0]=3 1157 B3R0.2 CC(=O)O TS06643 [2,0,0,0,0,0|0,1,0]=3 1158 B3R0.2 CC(=O)O TS08541 [2,0,0,0,0,0|0,1,0]=3 1159 B3R0.2 CC(=O)O TS32397 [2,0,0,0,0,0|0,1,0]=3 1160 B3R0.2 CC(=O)O TS65594 [2,0,0,0,0,0|0,1,0]=3 1161 B3R0.2 CC(=O)[O-] TS00235 [2,0,0,0,0,0|0,1,0]=3 1162 B3R0.2 CC(=O)[O-] TS01392 [2,0,0,0,0,0|0,1,0]=3 1163 B3R0.2 CC(=O)[O-] TS03418 [2,0,0,0,0,0|0,1,0]=3 1164 B3R0.2 CC(=O)[O-] TS03456 [2,0,0,0,0,0|0,1,0]=3 1165 B3R0.2 CC(=O)[O-] TS04787 [2,0,0,0,0,0|0,1,0]=3 1166 B3R0.2 CC(=O)[O-] TS04947 [2,0,0,0,0,0|0,1,0]=3 1167 B3R0.2 CC(=O)[O-] TS06035 [2,0,0,0,0,0|0,1,0]=3 1168 B3R0.2 CC(=O)[O-] TS13953 [2,0,0,0,0,0|0,1,0]=3 1169 B3R0.2 CC(=O)[O-] TS18902 [2,0,0,0,0,0|0,1,0]=3 1170 B3R0.2 CC(=O)[O-] TS26452 [2,0,0,0,0,0|0,1,0]=3 1171 B3R0.2 CC(=O)[O-] TS27546 [2,0,0,0,0,0|0,1,0]=3 1172 B3R0.2 CC(=O)[O-] TS29951 [2,0,0,0,0,0|0,1,0]=3 1173 B3R0.2 CC(=O)[O-] TS38928 [2,0,0,0,0,0|0,1,0]=3 1174 B3R0.2 CC(=O)[O-] TS41886 [2,0,0,0,0,0|0,1,0]=3 1175 B3R0.2 CC(=O)[O-] TS43176 [2,0,0,0,0,0|0,1,0]=3 1176 B3R0.2 CC(=O)[O-] TS45710 [2,0,0,0,0,0|0,1,0]=3 1177 B3R0.2 CC(=O)[O-] TS49663 [2,0,0,0,0,0|0,1,0]=3 1178 B3R0.2 CC(=O)[O-] TS55806 [2,0,0,0,0,0|0,1,0]=3 1179 B3R0.2 CC(=O)[O-] TS58868 [2,0,0,0,0,0|0,1,0]=3 1180 B3R0.2 CC(=O)[O-] TS59815 [2,0,0,0,0,0|0,1,0]=3 1181 B3R0.2 CC(=O)[O-] TS62641 [2,0,0,0,0,0|0,1,0]=3 1182 B3R0.2 CC(=O)[O-] TS62666 [2,0,0,0,0,0|0,1,0]=3 1183 B3R0.2 CC(=O)[O-] TS63478 [2,0,0,0,0,0|0,1,0]=3 1184 B3R0.2 CC(=O)[O-] TS64101 [2,0,0,0,0,0|0,1,0]=3 1185 B3R0.2 CC(=O)[O-] TS65998 [2,0,0,0,0,0|0,1,0]=3 1186 B3R0.2 CC(=O)[O-] TS69697 [2,0,0,0,0,0|0,1,0]=3 1187 B3R0.2 CC(=O)[O-] TS69754 [2,0,0,0,0,0|0,1,0]=3 1188 B3R0.2 CC(=O)[O-] TS69943 [2,0,0,0,0,0|0,1,0]=3 1189 B3R0.2 CC(=O)[O-] TS72196 [2,0,0,0,0,0|0,1,0]=3 1190 B3R0.2 CC(=O)[O-] TS73462 [2,0,0,0,0,0|0,1,0]=3 1191 B3R0.2 CC(=O)[O-] TS73694 [2,0,0,0,0,0|0,1,0]=3 1192 B3R0.2 CC(=O)[O-] TS76815 [2,0,0,0,0,0|0,1,0]=3 1193 B3R0.2 CC(=O)[O-] TS77303 [2,0,0,0,0,0|0,1,0]=3 1194 B3R0.2 CC(=O)[O-] TS78087 [2,0,0,0,0,0|0,1,0]=3 1195 B3R0.2 CC(=O)[O-] TS78184 [2,0,0,0,0,0|0,1,0]=3 1196 B3R0.2 CC(=O)[O-] TS78238 [2,0,0,0,0,0|0,1,0]=3 1197 B3R0.2 CC(=O)[O-] TS78451 [2,0,0,0,0,0|0,1,0]=3 1198 B3R0.2 CC(=O)[O-] TS78756 [2,0,0,0,0,0|0,1,0]=3 1199 B3R0.2 CC(=O)[O-] TS78836 [2,0,0,0,0,0|0,1,0]=3 1200 B3R0.2 CC(=O)[O-] TS79224 [2,0,0,0,0,0|0,1,0]=3 1201 B3R0.2 CC(=O)[O-] TS79279 [2,0,0,0,0,0|0,1,0]=3 1202 B3R0.2 CC(=O)[O-] TS79965 [2,0,0,0,0,0|0,1,0]=3 1203 B3R0.2 CC(=O)[O-] TS80560 [2,0,0,0,0,0|0,1,0]=3 1204 B3R0.2 CC(=O)[O-] TS81725 [2,0,0,0,0,0|0,1,0]=3 1205 B3R0.2 CC(=O)[O-] TS82231 [2,0,0,0,0,0|0,1,0]=3 1206 B3R0.2 CC(=O)[O-] TS93749 [2,0,0,0,0,0|0,1,0]=3 1207 B3R0.2 CC(=O)[O-] TS94725 [2,0,0,0,0,0|0,1,0]=3 1208 B3R0.2 CC(=O)[O-] TS94733 [2,0,0,0,0,0|0,1,0]=3 1209 B3R0.2 CC(=S)N TS01726 [2,0,0,0,0,0|1,0,1]=4 1210 B3R0.2 CC(=S)O TS71644 [2,0,0,0,0,0|0,0,2]=4 1211 B3R0.2 CC(=S)[O-] TS00248 [2,0,0,0,0,0|0,0,2]=4 1212 B3R0.2 CC(C)Br TS00860 [2,0,0,0,0,0|1,0,1]=4 1213 B3R0.2 CC(C)C TS02421 [2,0,0,0,0,0|1,0,1]=4 1214 B3R0.2 CC(C)Cl TS00076 [2,0,0,0,0,0|1,0,1]=4 1215 B3R0.2 CC(C)F TS02440 [2,0,0,0,0,0|1,0,1]=4 1216 B3R0.2 CC(C)N TS01924 [2,0,0,0,0,0|1,0,1]=4 1217 B3R0.2 CC(C)O TS65587 [2,0,0,0,0,0|0,0,2]=4 1218 B3R0.2 CC(C)S TS03409 [2,0,0,0,0,0|0,1,1]=4 1219 B3R0.2 CC(C)[O-] TS00285 [2,0,0,0,0,0|0,0,2]=4 1220 B3R0.2 CC(C)[O-] TS01956 [2,0,0,0,0,0|0,0,2]=4 1221 B3R0.2 CC(C)[O-] TS03787 [2,0,0,0,0,0|0,0,2]=4 1222 B3R0.2 CC(C)[O-] TS11045 [2,0,0,0,0,0|0,0,2]=4 1223 B3R0.2 CC(C)[O-] TS24723 [2,0,0,0,0,0|0,0,2]=4 1224 B3R0.2 CC(C)[O-] TS25988 [2,0,0,0,0,0|0,0,2]=4 1225 B3R0.2 CC(C)[O-] TS29590 [2,0,0,0,0,0|0,0,2]=4 1226 B3R0.2 CC(C)[O-] TS50088 [2,0,0,0,0,0|0,0,2]=4 1227 B3R0.2 CC(C)[O-] TS56090 [2,0,0,0,0,0|0,0,2]=4 1228 B3R0.2 CC(C)[O-] TS57337 [2,0,0,0,0,0|0,0,2]=4 1229 B3R0.2 CC(C)[O-] TS60765 [2,0,0,0,0,0|0,0,2]=4 1230 B3R0.2 CC(C)[O-] TS61265 [2,0,0,0,0,0|0,0,2]=4 1231 B3R0.2 CC(C)[O-] TS61382 [2,0,0,0,0,0|0,0,2]=4 1232 B3R0.2 CC(C)[O-] TS62375 [2,0,0,0,0,0|0,0,2]=4 1233 B3R0.2 CC(C)[O-] TS63485 [2,0,0,0,0,0|0,0,2]=4 1234 B3R0.2 CC(C)[O-] TS63487 [2,0,0,0,0,0|0,0,2]=4 1235 B3R0.2 CC(C)[O-] TS63938 [2,0,0,0,0,0|0,0,2]=4 1236 B3R0.2 CC(C)[O-] TS66142 [2,0,0,0,0,0|0,0,2]=4 1237 B3R0.2 CC(C)[O-] TS67052 [2,0,0,0,0,0|0,0,2]=4 1238 B3R0.2 CC(C)[O-] TS72330 [2,0,0,0,0,0|0,0,2]=4 1239 B3R0.2 CC(C)[O-] TS77323 [2,0,0,0,0,0|0,0,2]=4 1240 B3R0.2 CC(C)[O-] TS78714 [2,0,0,0,0,0|0,0,2]=4 1241 B3R0.2 CC(C)[O-] TS79015 [2,0,0,0,0,0|0,0,2]=4 1242 B3R0.2 CC(C)[O-] TS79109 [2,0,0,0,0,0|0,0,2]=4 1243 B3R0.2 CC(C)[S-] TS03781 [2,0,0,0,0,0|0,1,1]=4 1244 B3R0.2 CN(C)C TS02428 [2,0,0,0,0,0|2,0,0]=4 1245 B3R0.2 CN(C)C TS03598 [2,0,0,0,0,0|2,0,0]=4 1246 B3R0.2 CN(C)C TS04077 [2,0,0,0,0,0|2,0,0]=4 1247 B3R0.2 CN(C)C TS37301 [2,0,0,0,0,0|2,0,0]=4 1248 B3R0.2 CN(C)N TS03741 [2,0,0,0,0,0|2,0,0]=4 1249 B3R0.2 CN(C)N TS34594 [2,0,0,0,0,0|2,0,0]=4 1250 B3R0.2 CN(C)O TS31413 [2,0,0,0,0,0|1,0,1]=4 1251 B3R0.2 CP(C)C TS71641 [2,0,0,0,0,0|2,0,0]=4 1252 B3R0.2 CP(C)C TS76280 [2,0,0,0,0,0|2,0,0]=4 1253 B3R0.2 CP(C)Cl TS03739 [2,0,0,0,0,0|2,0,0]=4 1254 B3R0.2 CS(=O)[O-] TS93511 [2,0,0,0,0,0|1,1,0]=4 1255 B3R0.2 C[Al](C)C TS71595 [2,0,0,0,0,0|2,0,0]=4 1256 B3R0.2 C[As](C)C TS32403 [2,0,0,0,0,0|2,0,0]=4 1257 B3R0.2 C[As](C)I TS25149 [2,0,0,0,0,0|2,0,0]=4 1258 B3R0.2 C[Bi](C)C TS28559 [2,0,0,0,0,0|2,0,0]=4 1259 B3R0.2 C[Ga](C)C TS32132 [2,0,0,0,0,0|2,0,0]=4 1260 B3R0.2 C[GeH](C)C TS04775 [2,0,0,0,0,0|1,1,0]=4 1261 B3R0.2 C[In](C)C TS11202 [2,0,0,0,0,0|2,0,0]=4 1262 B3R0.2 C[N+](=C)C TS15411 [2,0,0,0,0,0|2,0,0]=4 1263 B3R0.2 C[N+](=O)[O-] TS65593 [2,0,0,0,0,0|1,1,0]=4 1264 B3R0.2 C[S+](C)C TS10818 [2,0,0,0,0,0|2,0,0]=4 1265 B3R0.2 C[S+](C)C TS59468 [2,0,0,0,0,0|2,0,0]=4 1266 B3R0.2 C[Sb](C)C TS43174 [2,0,0,0,0,0|2,0,0]=4 1267 B3R0.2 C[SiH](C)C TS71620 [2,0,0,0,0,0|1,1,0]=4 1268 B3R0.2 C[SiH](C)Cl TS31361 [2,0,0,0,0,0|1,1,0]=4 1269 B3R0.2 C[SiH](C)F TS71650 [2,0,0,0,0,0|1,1,0]=4 1270 B3R0.2 C[Sn+](C)C TS59840 [2,0,0,0,0,0|2,0,0]=4 1271 B3R0.2 C[Sn](=O)C TS42834 [2,0,0,0,0,0|1,0,0]=3 1272 B3R0.2 C[Sn](=S)C TS14707 [2,0,0,0,0,0|1,1,0]=4 1273 B3R0.2 [2H]C(=O)[O-] TS03081 [2,0,0,0,0,0|1,1,0]=4 1274 B5R0.3 C(C(=O)CBr)Br TS21961 [1,1,0,0,0,0|1,0,0]=3 1275 B5R0.3 C(C(=O)CCl)Cl TS36200 [1,1,0,0,0,0|1,0,0]=3 1276 B5R0.3 C(C(=O)CF)F TS03661 [1,1,0,0,0,0|1,0,0]=3 1277 B5R0.3 C(C(=O)CI)I TS60842 [1,1,0,0,0,0|1,0,0]=3 1278 B5R0.3 C(C(=O)CN)N TS11357 [1,1,0,0,0,0|1,0,0]=3 1279 B5R0.3 C(C(=O)CO)O TS46803 [1,1,0,0,0,0|0,1,0]=3 1280 B5R0.3 C(C(CS)O)O TS31781 [1,1,0,0,0,0|0,0,2]=4 1281 B5R0.3 C(C(CS)S)O TS47162 [1,1,0,0,0,0|0,1,1]=4 1282 B5R0.3 C=C(CCl)CCl TS39712 [1,1,0,0,0,0|2,0,0]=4 1283 B5R0.3 C=C(CO)CO TS65602 [1,1,0,0,0,0|1,1,0]=4 1284 B5R0.3 C=CC(=O)CBr TS00417 [1,1,0,0,0,0|0,0,2]=4 1285 B5R0.3 CC(=CN)C=O TS07741 [1,1,0,0,0,0|1,0,1]=4 1286 B5R0.3 CC=C(C)C=C TS03466 [1,1,0,0,0,0|1,0,1]=4 1287 B5R0.3 CC=C(C)C=C TS71680 [1,1,0,0,0,0|1,0,1]=4 1288 B5R0.3 CC=C(C)C=O TS03488 [1,1,0,0,0,0|0,0,1]=3 1289 B5R0.3 CC=C(C=O)Cl TS04052 [1,1,0,0,0,0|1,0,1]=4 1290 B5R0.3 CC=C(CO)Br TS40966 [1,1,0,0,0,0|1,0,1]=4 1291 B5R0.3 CCC(=C)C=C TS71686 [1,1,0,0,0,0|1,0,1]=4 1292 B5R0.3 CCC(=C)CC TS71714 [1,1,0,0,0,0|1,0,0]=3 1293 B5R0.3 CCC(=NO)C TS03558 [1,1,0,0,0,0|0,0,1]=3 1294 B5R0.3 CCC(=O)C=C TS03496 [1,1,0,0,0,0|0,0,1]=3 1295 B5R0.3 CCC(=O)C=O TS03524 [1,1,0,0,0,0|0,0,1]=3 1296 B5R0.3 CCC(=O)CBr TS00020 [1,1,0,0,0,0|0,0,0]=2 1297 B5R0.3 CCC(=O)CC TS00240 [1,1,0,0,0,0|0,0,0]=2 1298 B5R0.3 CCC(=O)CCl TS31736 [1,1,0,0,0,0|0,0,0]=2 1299 B5R0.3 CCC(=O)CO TS05538 [1,1,0,0,0,0|0,0,0]=2 1300 B5R0.3 CCC(=O)NC TS03562 [1,1,0,0,0,0|0,0,0]=2 1301 B5R0.3 CCC(=O)NN TS03589 [1,1,0,0,0,0|1,0,0]=3 1302 B5R0.3 CCC(=O)OC TS03587 [1,1,0,0,0,0|0,0,0]=2 1303 B5R0.3 CCC(=S)OC TS31680 [1,1,0,0,0,0|0,1,0]=3 1304 B5R0.3 CCC(C)C#C TS03468 [1,1,0,0,0,0|1,0,1]=4 1305 B5R0.3 CCC(C)C=O TS03536 [1,1,0,0,0,0|0,0,1]=3 1306 B5R0.3 CCC(C)CBr TS09987 [1,1,0,0,0,0|1,0,1]=4 1307 B5R0.3 CCC(C)CC TS03546 [1,1,0,0,0,0|1,0,1]=4 1308 B5R0.3 CCC(C)CCl TS31746 [1,1,0,0,0,0|1,0,1]=4 1309 B5R0.3 CCC(C)CI TS18546 [1,1,0,0,0,0|1,0,1]=4 1310 B5R0.3 CCC(C)CN TS71788 [1,1,0,0,0,0|1,0,1]=4 1311 B5R0.3 CCC(C)CO TS03593 [1,1,0,0,0,0|0,0,2]=4 1312 B5R0.3 CCC(C)CS TS31698 [1,1,0,0,0,0|0,1,1]=4 1313 B5R0.3 CCC(C)NC TS04995 [1,1,0,0,0,0|1,0,1]=4 1314 B5R0.3 CCC(C)NC TS71785 [1,1,0,0,0,0|1,0,1]=4 1315 B5R0.3 CCC(C)OC TS71803 [1,1,0,0,0,0|0,0,2]=4 1316 B5R0.3 CCC(C)ON TS36089 [1,1,0,0,0,0|0,0,2]=4 1317 B5R0.3 CCC(C)SC TS31697 [1,1,0,0,0,0|0,1,1]=4 1318 B5R0.3 CCC(C)[Mg]Br TS11456 [1,1,0,0,0,0|1,0,1]=4 1319 B5R0.3 CCC(C)[Mg]Cl TS32262 [1,1,0,0,0,0|1,0,1]=4 1320 B5R0.3 CCC(CBr)Br TS21966 [1,1,0,0,0,0|1,0,1]=4 1321 B5R0.3 CCC(CBr)Cl TS13062 [1,1,0,0,0,0|1,0,1]=4 1322 B5R0.3 CCC(CBr)O TS10270 [1,1,0,0,0,0|0,0,2]=4 1323 B5R0.3 CCC(CC)Br TS09988 [1,1,0,0,0,0|1,0,1]=4 1324 B5R0.3 CCC(CC)Cl TS31745 [1,1,0,0,0,0|1,0,1]=4 1325 B5R0.3 CCC(CC)F TS71849 [1,1,0,0,0,0|1,0,1]=4 1326 B5R0.3 CCC(CC)I TS18549 [1,1,0,0,0,0|1,0,1]=4 1327 B5R0.3 CCC(CC)N TS00440 [1,1,0,0,0,0|1,0,1]=4 1328 B5R0.3 CCC(CC)O TS00239 [1,1,0,0,0,0|0,0,2]=4 1329 B5R0.3 CCC(CC)[Zn+] TS49169 [1,1,0,0,0,0|1,0,1]=4 1330 B5R0.3 CCC(CCl)Cl TS36203 [1,1,0,0,0,0|1,0,1]=4 1331 B5R0.3 CCC(CN)N TS71807 [1,1,0,0,0,0|1,0,1]=4 1332 B5R0.3 CCC(CN)O TS03604 [1,1,0,0,0,0|0,0,2]=4 1333 B5R0.3 CCC(CO)N TS03601 [1,1,0,0,0,0|1,0,1]=4 1334 B5R0.3 CCC(CS)S TS04932 [1,1,0,0,0,0|0,1,1]=4 1335 B5R0.3 CCN(C)CC TS71781 [1,1,0,0,0,0|2,0,0]=4 1336 B5R0.3 CCN(C)N=O TS03588 [1,1,0,0,0,0|1,0,0]=3 1337 B5R0.3 CCN(CC)O TS03599 [1,1,0,0,0,0|1,0,1]=4 1338 B5R0.3 CCP(CC)Cl TS36025 [1,1,0,0,0,0|2,0,0]=4 1339 B5R0.3 CCS(=O)CC TS04104 [1,1,0,0,0,0|1,0,0]=3 1340 B5R0.3 CC[Al](CC)Cl TS27650 [1,1,0,0,0,0|2,0,0]=4 1341 B5R0.3 CC[C@@H](CO)O TS71836 [1,1,0,0,0,0|0,0,2]=4 1342 B5R0.3 CC[C@H](C)C#N TS71705 [1,1,0,0,0,0|1,0,1]=4 1343 B5R0.3 CC[C@H](C)CBr TS39655 [1,1,0,0,0,0|1,0,1]=4 1344 B5R0.3 CC[C@H](C)CCl TS31744 [1,1,0,0,0,0|1,0,1]=4 1345 B5R0.3 CC[C@H](CO)N TS03605 [1,1,0,0,0,0|1,0,1]=4 1346 B5R0.3 CC[C@H](CO)O TS71838 [1,1,0,0,0,0|0,0,2]=4 1347 B5R0.3 CC[SiH](C)CC TS03988 [1,1,0,0,0,0|1,1,0]=4 1348 B5R0.3 CC[Sn](=O)CC TS17584 [1,1,0,0,0,0|1,0,0]=3 1349 B5R0.3 CNC(=N)SC TS94298 [1,1,0,0,0,0|1,0,0]=3 1350 B5R0.3 CNC(=O)CCl TS04119 [1,1,0,0,0,0|1,0,0]=3 1351 B5R0.3 CNC(=O)CN TS36033 [1,1,0,0,0,0|1,0,0]=3 1352 B5R0.3 CNC(=O)NC TS08682 [1,1,0,0,0,0|1,0,0]=3 1353 B5R0.3 CNC(=S)NC TS07883 [1,1,0,0,0,0|1,1,0]=4 1354 B5R0.3 CNC(=S)S[Na] TS05471 [1,1,0,0,0,0|1,1,0]=4 1355 B5R0.3 COC(=O)C#C TS01555 [1,1,0,0,0,0|0,0,2]=4 1356 B5R0.3 COC(=O)C#N TS71728 [1,1,0,0,0,0|0,1,1]=4 1357 B5R0.3 COC(=O)C=C TS03529 [1,1,0,0,0,0|0,0,2]=4 1358 B5R0.3 COC(=O)C=O TS65230 [1,1,0,0,0,0|0,1,1]=4 1359 B5R0.3 COC(=O)CBr TS08895 [1,1,0,0,0,0|0,1,0]=3 1360 B5R0.3 COC(=O)CCl TS39826 [1,1,0,0,0,0|0,1,0]=3 1361 B5R0.3 COC(=O)CF TS65235 [1,1,0,0,0,0|0,1,0]=3 1362 B5R0.3 COC(=O)CN TS36079 [1,1,0,0,0,0|0,1,0]=3 1363 B5R0.3 COC(=O)CN TS93910 [1,1,0,0,0,0|0,1,0]=3 1364 B5R0.3 COC(=O)CO TS03617 [1,1,0,0,0,0|0,1,0]=3 1365 B5R0.3 COC(=O)CS TS39888 [1,1,0,0,0,0|0,0,0]=2 1366 B5R0.3 COC(=O)NN TS65196 [1,1,0,0,0,0|1,1,0]=4 1367 B5R0.3 COC(=O)OC TS33240 [1,1,0,0,0,0|0,1,0]=3 1368 B5R0.3 COC(=O)SCl TS36190 [1,1,0,0,0,0|1,0,0]=3 1369 B5R0.3 COS(=O)OC TS31831 [1,1,0,0,0,0|1,1,0]=4 1370 B5R0.3 CSC(=C)SC TS32439 [1,1,0,0,0,0|1,0,0]=3 1371 B5R0.3 CSC(=O)SC TS04928 [1,1,0,0,0,0|0,0,0]=2 1372 B5R0.3 CSC(=S)SC TS37238 [1,1,0,0,0,0|0,1,0]=3 1373 B5R0.4 CC(C)(C)SC TS31695 [1,1,0,0,0,0|1,0,1]=4 1374 B5R0.4 CCC(C)(C)C TS03545 [1,1,0,0,0,0|1,0,1]=4 1375 B5R0.4 CCC(C)(C)F TS71847 [1,1,0,0,0,0|1,0,1]=4 1376 B5R0.4 CCC(C)(C)I TS18551 [1,1,0,0,0,0|1,0,1]=4 1377 B5R0.4 CCC(C)(C)N TS71778 [1,1,0,0,0,0|1,0,1]=4 1378 B5R0.4 CCC(C)(C)O TS02090 [1,1,0,0,0,0|0,0,2]=4 1379 B5R0.4 CCC(C)(C)S TS31694 [1,1,0,0,0,0|0,1,1]=4 1380 B5R0.4 CCC(C)(C)[O-] TS31830 [1,1,0,0,0,0|0,0,2]=4 1381 B5R0.4 CCC(C)(C)[O-] TS36175 [1,1,0,0,0,0|0,0,2]=4 1382 B5R0.4 CCC(C)(C)[Zn+] TS49170 [1,1,0,0,0,0|1,0,1]=4 1383 B5R0.4 CCC(C)(Cl)Cl TS36205 [1,1,0,0,0,0|1,0,1]=4 1384 B5R0.4 CCP(=O)(O)O TS04177 [1,1,0,0,0,0|2,0,0]=4 1385 B5R0.4 CCS(=O)(=O)C TS31782 [1,1,0,0,0,0|1,0,0]=3 1386 B5R0.4 CCS(=O)(=O)Cl TS36380 [1,1,0,0,0,0|2,0,0]=4 1387 B5R0.4 CCS(=O)(=O)N TS01909 [1,1,0,0,0,0|2,0,0]=4 1388 B5R0.4 CCS(=O)(=O)O TS31833 [1,1,0,0,0,0|2,0,0]=4 1389 B5R0.4 CCS(=O)(=O)[O-] TS93866 [1,1,0,0,0,0|2,0,0]=4 1390 B5R0.4 CC[Si](C)(C)C TS39386 [1,1,0,0,0,0|1,1,0]=4 1391 B5R0.4 CC[Si](C)(C)Cl TS32542 [1,1,0,0,0,0|1,1,0]=4 1392 B5R0.4 CC[Si](C)(Cl)Cl TS40046 [1,1,0,0,0,0|1,1,0]=4 1393 B5R0.4 CNS(=O)(=O)C TS01602 [1,1,0,0,0,0|2,0,0]=4 1394 B5R0.4 COP(=O)(C)O TS04178 [1,1,0,0,0,0|1,1,0]=4 1395 B5R0.4 COS(=O)(=O)C TS31832 [1,1,0,0,0,0|1,1,0]=4 1396 B5R0.4 CP(=O)(CCl)Cl TS40484 [1,1,0,0,0,0|2,0,0]=4 1397 B5R0.4 CSS(=O)(=O)C TS36163 [1,1,0,0,0,0|1,0,0]=3 1398 B5R0.4 C[Si](C)(C)CS TS32443 [1,1,0,0,0,0|1,1,0]=4 1399 B5R0.4 C[Si](C)(C)SC TS32442 [1,1,0,0,0,0|1,1,0]=4 1400 B5R0.5 C(C(=O)Cl)(Cl)Cl TS07381 [1,1,0,0,0,0|2,0,0]=4 1401 B5R0.5 C(C(=O)Cl)(F)Cl TS36580 [1,1,0,0,0,0|2,0,0]=4 1402 B5R0.5 C(C(=O)Cl)(F)F TS32127 [1,1,0,0,0,0|2,0,0]=4 1403 B5R0.5 C(C(=O)F)(Cl)Cl TS36581 [1,1,0,0,0,0|2,0,0]=4 1404 B5R0.5 C(C(=O)F)(F)Cl TS32128 [1,1,0,0,0,0|2,0,0]=4 1405 B5R0.5 C(C(=O)F)(F)F TS31418 [1,1,0,0,0,0|2,0,0]=4 1406 B5R0.5 C(C(=O)N)(Cl)Cl TS05298 [1,1,0,0,0,0|2,0,0]=4 1407 B5R0.5 C(C(=O)N)(F)Br TS41564 [1,1,0,0,0,0|2,0,0]=4 1408 B5R0.5 C(C(=O)N)(F)Cl TS31896 [1,1,0,0,0,0|2,0,0]=4 1409 B5R0.5 C(C(=O)N)(F)F TS03689 [1,1,0,0,0,0|2,0,0]=4 1410 B5R0.5 C(C(=O)N)(F)I TS38361 [1,1,0,0,0,0|2,0,0]=4 1411 B5R0.5 C(C(=O)O)(Br)Br TS22308 [1,1,0,0,0,0|2,0,0]=4 1412 B5R0.5 C(C(=O)O)(Cl)Br TS45685 [1,1,0,0,0,0|2,0,0]=4 1413 B5R0.5 C(C(=O)O)(F)Cl TS31986 [1,1,0,0,0,0|2,0,0]=4 1414 B5R0.5 C(C(=O)O)(F)F TS01438 [1,1,0,0,0,0|2,0,0]=4 1415 B5R0.5 C(C(=O)[O-])(Cl)Cl TS55848 [1,1,0,0,0,0|2,0,0]=4 1416 B5R0.5 C(C(=O)[O-])(F)Br TS14323 [1,1,0,0,0,0|2,0,0]=4 1417 B5R0.5 C(C(=O)[O-])(F)Cl TS05935 [1,1,0,0,0,0|2,0,0]=4 1418 B5R0.5 C(C(=O)[O-])(F)F TS31570 [1,1,0,0,0,0|2,0,0]=4 1419 B5R0.5 CC(=C(C)Br)C TS07531 [1,1,0,0,0,0|1,0,1]=4 1420 B5R0.5 CC(=C(C)C)C TS71721 [1,1,0,0,0,0|1,0,1]=4 1421 B5R0.5 CC(=C(C)[NH3+])C TS04005 [1,1,0,0,0,0|1,0,1]=4 1422 B5R0.5 CC(=C)C(=C)C TS71685 [1,1,0,0,0,0|1,0,1]=4 1423 B5R0.5 CC(=C)C(=O)C TS03485 [1,1,0,0,0,0|0,0,1]=3 1424 B5R0.5 CC(=C)C(=O)Cl TS56226 [1,1,0,0,0,0|1,0,1]=4 1425 B5R0.5 CC(=C)C(=O)F TS03570 [1,1,0,0,0,0|1,0,1]=4 1426 B5R0.5 CC(=C)C(=O)N TS71737 [1,1,0,0,0,0|1,0,1]=4 1427 B5R0.5 CC(=C)C(=O)O TS56224 [1,1,0,0,0,0|1,0,1]=4 1428 B5R0.5 CC(=C)C(=O)[O-] TS03649 [1,1,0,0,0,0|1,0,1]=4 1429 B5R0.5 CC(=C)C(=O)[O-] TS04134 [1,1,0,0,0,0|1,0,1]=4 1430 B5R0.5 CC(=C)C(=O)[O-] TS17588 [1,1,0,0,0,0|1,0,1]=4 1431 B5R0.5 CC(=C)C(=O)[O-] TS17954 [1,1,0,0,0,0|1,0,1]=4 1432 B5R0.5 CC(=C)C(=O)[O-] TS20934 [1,1,0,0,0,0|1,0,1]=4 1433 B5R0.5 CC(=C)C(=O)[O-] TS25799 [1,1,0,0,0,0|1,0,1]=4 1434 B5R0.5 CC(=C)C(=O)[O-] TS35997 [1,1,0,0,0,0|1,0,1]=4 1435 B5R0.5 CC(=C)C(=O)[O-] TS45223 [1,1,0,0,0,0|1,0,1]=4 1436 B5R0.5 CC(=C)C(=O)[O-] TS60851 [1,1,0,0,0,0|1,0,1]=4 1437 B5R0.5 CC(=C)C(=O)[O-] TS67081 [1,1,0,0,0,0|1,0,1]=4 1438 B5R0.5 CC(=C)C(=O)[O-] TS68528 [1,1,0,0,0,0|1,0,1]=4 1439 B5R0.5 CC(=C)C(=O)[O-] TS70135 [1,1,0,0,0,0|1,0,1]=4 1440 B5R0.5 CC(=C)C(=O)[O-] TS78671 [1,1,0,0,0,0|1,0,1]=4 1441 B5R0.5 CC(=O)C(=O)C TS03530 [1,1,0,0,0,0|0,0,1]=3 1442 B5R0.5 CC(=O)C(=O)O TS71795 [1,1,0,0,0,0|0,1,1]=4 1443 B5R0.5 CC(=O)C(=O)[O-] TS04176 [1,1,0,0,0,0|0,1,1]=4 1444 B5R0.5 CC(=O)C(=O)[O-] TS36114 [1,1,0,0,0,0|0,1,1]=4 1445 B5R0.5 CC(=O)C(=O)[O-] TS44476 [1,1,0,0,0,0|0,1,1]=4 1446 B5R0.5 CC(=O)C(=O)[O-] TS71885 [1,1,0,0,0,0|0,1,1]=4 1447 B5R0.5 CC(=O)C(Cl)Cl TS36198 [1,1,0,0,0,0|1,0,0]=3 1448 B5R0.5 CC(=O)C(F)F TS03662 [1,1,0,0,0,0|1,0,0]=3 1449 B5R0.5 CC(=O)C(O)O TS46028 [1,1,0,0,0,0|0,1,0]=3 1450 B5R0.5 CC(=O)N(C)C TS03557 [1,1,0,0,0,0|1,0,0]=3 1451 B5R0.5 CC(=S)N(C)C TS04015 [1,1,0,0,0,0|1,1,0]=4 1452 B5R0.5 CC(C(=C)C)O TS71758 [1,1,0,0,0,0|1,0,0]=3 1453 B5R0.5 CC(C(=O)Br)Br TS93904 [1,1,0,0,0,0|1,0,0]=3 1454 B5R0.5 CC(C(=O)C)Br TS40972 [1,1,0,0,0,0|0,0,0]=2 1455 B5R0.5 CC(C(=O)C)Cl TS31738 [1,1,0,0,0,0|0,0,0]=2 1456 B5R0.5 CC(C(=O)C)F TS71828 [1,1,0,0,0,0|0,0,0]=2 1457 B5R0.5 CC(C(=O)C)O TS03581 [1,1,0,0,0,0|0,0,0]=2 1458 B5R0.5 CC(C(=O)C)S TS60015 [1,1,0,0,0,0|0,0,0]=2 1459 B5R0.5 CC(C(=O)Cl)Br TS45375 [1,1,0,0,0,0|1,0,0]=3 1460 B5R0.5 CC(C(=O)Cl)Cl TS36199 [1,1,0,0,0,0|1,0,0]=3 1461 B5R0.5 CC(C(=O)N)Br TS10108 [1,1,0,0,0,0|1,0,0]=3 1462 B5R0.5 CC(C(=O)N)Cl TS04116 [1,1,0,0,0,0|1,0,0]=3 1463 B5R0.5 CC(C(=O)N)O TS71825 [1,1,0,0,0,0|1,0,0]=3 1464 B5R0.5 CC(C(=O)O)Br TS10263 [1,1,0,0,0,0|1,0,0]=3 1465 B5R0.5 CC(C(=O)O)Br TS41327 [1,1,0,0,0,0|1,0,0]=3 1466 B5R0.5 CC(C(=O)O)Cl TS04158 [1,1,0,0,0,0|1,0,0]=3 1467 B5R0.5 CC(C(=O)O)F TS02005 [1,1,0,0,0,0|1,0,0]=3 1468 B5R0.5 CC(C(=O)O)N TS71826 [1,1,0,0,0,0|1,0,0]=3 1469 B5R0.5 CC(C(=O)O)O TS03619 [1,1,0,0,0,0|1,0,0]=3 1470 B5R0.5 CC(C(=O)O)O TS69796 [1,1,0,0,0,0|1,0,0]=3 1471 B5R0.5 CC(C(=O)O)S TS04090 [1,1,0,0,0,0|1,0,0]=3 1472 B5R0.5 CC(C(=O)[O-])O TS04267 [1,1,0,0,0,0|1,0,0]=3 1473 B5R0.5 CC(C(=O)[O-])O TS21805 [1,1,0,0,0,0|1,0,0]=3 1474 B5R0.5 CC(C(=O)[O-])O TS25875 [1,1,0,0,0,0|1,0,0]=3 1475 B5R0.5 CC(C(=O)[O-])O TS49421 [1,1,0,0,0,0|1,0,0]=3 1476 B5R0.5 CC(C(=O)[O-])O TS53785 [1,1,0,0,0,0|1,0,0]=3 1477 B5R0.5 CC(C(=O)[O-])O TS60724 [1,1,0,0,0,0|1,0,0]=3 1478 B5R0.5 CC(C(=O)[O-])O TS67922 [1,1,0,0,0,0|1,0,0]=3 1479 B5R0.5 CC(C(=O)[O-])O TS82339 [1,1,0,0,0,0|1,0,0]=3 1480 B5R0.5 CC(C(=O)[O-])O TS93633 [1,1,0,0,0,0|1,0,0]=3 1481 B5R0.5 CC(C(=O)[O-])O TS94684 [1,1,0,0,0,0|1,0,0]=3 1482 B5R0.5 CC(C(=O)[O-])O TS94690 [1,1,0,0,0,0|1,0,0]=3 1483 B5R0.5 CC(C(C)Br)Br TS21965 [1,1,0,0,0,0|1,0,1]=4 1484 B5R0.5 CC(C(C)O)O TS71844 [1,1,0,0,0,0|0,0,2]=4 1485 B5R0.5 CC(C(C)S)O TS04106 [1,1,0,0,0,0|0,0,2]=4 1486 B5R0.5 CC(C(C)S)S TS04935 [1,1,0,0,0,0|0,1,1]=4 1487 B5R0.5 CC(C)C(=C)C TS71720 [1,1,0,0,0,0|1,0,0]=3 1488 B5R0.5 CC(C)C(=N)N TS03540 [1,1,0,0,0,0|2,0,0]=4 1489 B5R0.5 CC(C)C(=N)N TS32540 [1,1,0,0,0,0|2,0,0]=4 1490 B5R0.5 CC(C)C(=O)Br TS40967 [1,1,0,0,0,0|1,0,0]=3 1491 B5R0.5 CC(C)C(=O)C TS39716 [1,1,0,0,0,0|0,0,0]=2 1492 B5R0.5 CC(C)C(=O)Cl TS31739 [1,1,0,0,0,0|1,0,0]=3 1493 B5R0.5 CC(C)C(=O)F TS71829 [1,1,0,0,0,0|1,0,0]=3 1494 B5R0.5 CC(C)C(=O)N TS01506 [1,1,0,0,0,0|1,0,0]=3 1495 B5R0.5 CC(C)C(=O)O TS85221 [1,1,0,0,0,0|1,0,0]=3 1496 B5R0.5 CC(C)C(=O)[O-] TS03660 [1,1,0,0,0,0|1,0,0]=3 1497 B5R0.5 CC(C)C(=O)[O-] TS04185 [1,1,0,0,0,0|1,0,0]=3 1498 B5R0.5 CC(C)C(=O)[O-] TS36146 [1,1,0,0,0,0|1,0,0]=3 1499 B5R0.5 CC(C)C(=O)[O-] TS44540 [1,1,0,0,0,0|1,0,0]=3 1500 B5R0.5 CC(C)C(C)Br TS08308 [1,1,0,0,0,0|1,0,1]=4 1501 B5R0.5 CC(C)C(C)C TS03547 [1,1,0,0,0,0|1,0,1]=4 1502 B5R0.5 CC(C)C(C)N TS71776 [1,1,0,0,0,0|1,0,1]=4 1503 B5R0.5 CC(C)C(C)O TS03594 [1,1,0,0,0,0|0,0,2]=4 1504 B5R0.5 CC(C)C(C)S TS31690 [1,1,0,0,0,0|0,1,1]=4 1505 B5R0.5 CC(C)N(C)C TS71780 [1,1,0,0,0,0|2,0,0]=4 1506 B5R0.5 CC(C)[N+](=O)[O-] TS00110 [1,1,0,0,0,0|2,0,0]=4 1507 B5R0.5 CC(C)[SiH](C)C TS03987 [1,1,0,0,0,0|1,1,0]=4 1508 B5R0.5 CN(C)C(=O)Cl TS04117 [1,1,0,0,0,0|2,0,0]=4 1509 B5R0.5 CN(C)C(=O)N TS03592 [1,1,0,0,0,0|2,0,0]=4 1510 B5R0.5 CN(C)C(=O)O TS05907 [1,1,0,0,0,0|2,0,0]=4 1511 B5R0.5 C[C@@H](C(=O)N)N TS01517 [1,1,0,0,0,0|1,0,0]=3 1512 B5R0.5 C[C@@H](C(=O)N)N TS03590 [1,1,0,0,0,0|1,0,0]=3 1513 B5R0.5 C[C@@H](C(=O)N)O TS59860 [1,1,0,0,0,0|1,0,0]=3 1514 B5R0.5 C[C@@H](C(=O)O)Br TS10265 [1,1,0,0,0,0|1,0,0]=3 1515 B5R0.5 C[C@@H](C(=O)O)Cl TS47157 [1,1,0,0,0,0|1,0,0]=3 1516 B5R0.5 C[C@@H](C(=O)O)N TS01516 [1,1,0,0,0,0|1,0,0]=3 1517 B5R0.5 C[C@@H](C(=O)O)N TS03624 [1,1,0,0,0,0|1,0,0]=3 1518 B5R0.5 C[C@@H](C(=O)O)O TS39672 [1,1,0,0,0,0|1,0,0]=3 1519 B5R0.5 C[C@@H](C(=O)[O-])O TS04266 [1,1,0,0,0,0|1,0,0]=3 1520 B5R0.5 C[C@@H](C(=O)[O-])O TS05332 [1,1,0,0,0,0|1,0,0]=3 1521 B5R0.5 C[C@@H](C(=O)[O-])O TS28972 [1,1,0,0,0,0|1,0,0]=3 1522 B5R0.5 C[C@@H](C(C)C)N TS71787 [1,1,0,0,0,0|1,0,1]=4 1523 B5R0.5 C[C@@H]([C@H](C)O)O TS85107 [1,1,0,0,0,0|0,0,2]=4 1524 B5R0.5 C[C@H](C(=O)Cl)Cl TS94778 [1,1,0,0,0,0|1,0,0]=3 1525 B5R0.5 C[C@H](C(=O)N)N TS46606 [1,1,0,0,0,0|1,0,0]=3 1526 B5R0.5 C[C@H](C(=O)N)N TS60179 [1,1,0,0,0,0|1,0,0]=3 1527 B5R0.5 C[C@H](C(=O)N)O TS71820 [1,1,0,0,0,0|1,0,0]=3 1528 B5R0.5 C[C@H](C(=O)O)Br TS10264 [1,1,0,0,0,0|1,0,0]=3 1529 B5R0.5 C[C@H](C(=O)O)O TS03621 [1,1,0,0,0,0|1,0,0]=3 1530 B5R0.5 C[C@H](C(=O)[O-])O TS03708 [1,1,0,0,0,0|1,0,0]=3 1531 B5R0.5 C[C@H](C(C)C)N TS71786 [1,1,0,0,0,0|1,0,1]=4 1532 B5R0.5 C[C@H]([C@@H](C)O)O TS85106 [1,1,0,0,0,0|0,0,2]=4 1533 B5R0.5 C[C@H]([C@H](C)O)O TS71842 [1,1,0,0,0,0|0,0,2]=4 1534 B5R0.2 C(C#N)OC=O TS71729 [1,1,0,0,0,0|2,0,0]=4 1535 B5R0.2 C(CC#N)C=O TS71698 [1,1,0,0,0,0|1,0,1]=4 1536 B5R0.2 C(CC=O)C=O TS03527 [1,1,0,0,0,0|1,0,1]=4 1537 B5R0.2 C(CC=O)C=O TS58456 [1,1,0,0,0,0|1,0,1]=4 1538 B5R0.2 C=CCCC=O TS03486 [1,1,0,0,0,0|1,0,1]=4 1539 B5R0.2 C=CCCCBr TS71399 [1,1,0,0,0,0|1,0,1]=4 1540 B5R0.2 C=CCCCCl TS04057 [1,1,0,0,0,0|1,0,1]=4 1541 B5R0.2 C=CCCCN TS03513 [1,1,0,0,0,0|1,0,1]=4 1542 B5R0.2 C=CCCCN TS04880 [1,1,0,0,0,0|1,0,1]=4 1543 B5R0.2 C=CCCCO TS33172 [1,1,0,0,0,0|1,0,1]=4 1544 B5R0.2 C=CCCC[Zn+] TS44589 [1,1,0,0,0,0|1,0,1]=4 1545 B5R0.2 C=CCNC=O TS03504 [1,1,0,0,0,0|1,0,1]=4 1546 B5R0.2 C=CCOC=O TS71740 [1,1,0,0,0,0|1,0,1]=4 1547 B5R0.2 CC#CCC=C TS71671 [1,1,0,0,0,0|1,0,1]=4 1548 B5R0.2 CC=CC=CC TS71681 [1,1,0,0,0,0|1,0,1]=4 1549 B5R0.2 CC=CC=CC TS71684 [1,1,0,0,0,0|1,0,1]=4 1550 B5R0.2 CC=CCCO TS71749 [1,1,0,0,0,0|1,0,1]=4 1551 B5R0.2 CC=CC[Mg]Cl TS32134 [1,1,0,0,0,0|2,0,0]=4 1552 B5R0.2 CCC=CC=O TS03498 [1,1,0,0,0,0|1,0,1]=4 1553 B5R0.2 CCCC#CC TS71682 [1,1,0,0,0,0|1,0,1]=4 1554 B5R0.2 CCCC=NO TS03560 [1,1,0,0,0,0|1,0,1]=4 1555 B5R0.2 CCCCC=C TS71713 [1,1,0,0,0,0|1,0,1]=4 1556 B5R0.2 CCCCC=O TS71764 [1,1,0,0,0,0|1,0,0]=3 1557 B5R0.2 CCCCCBr TS00039 [1,1,0,0,0,0|1,0,1]=4 1558 B5R0.2 CCCCCCl TS31742 [1,1,0,0,0,0|1,0,1]=4 1559 B5R0.2 CCCCCF TS71848 [1,1,0,0,0,0|1,0,1]=4 1560 B5R0.2 CCCCCI TS18547 [1,1,0,0,0,0|1,0,1]=4 1561 B5R0.2 CCCCCN TS71782 [1,1,0,0,0,0|1,0,1]=4 1562 B5R0.2 CCCCCO TS46186 [1,1,0,0,0,0|1,0,1]=4 1563 B5R0.2 CCCCCO TS71798 [1,1,0,0,0,0|1,0,1]=4 1564 B5R0.2 CCCCCS TS31699 [1,1,0,0,0,0|1,0,1]=4 1565 B5R0.2 CCCCC[Si] TS03986 [1,1,0,0,0,0|1,0,1]=4 1566 B5R0.2 CCCCC[Zn+] TS49168 [1,1,0,0,0,0|1,0,1]=4 1567 B5R0.2 CCCCNC TS71774 [1,1,0,0,0,0|1,0,1]=4 1568 B5R0.2 CCCCSC TS31691 [1,1,0,0,0,0|0,0,1]=3 1569 B5R0.2 CCCC[Sn]=O TS17583 [1,1,0,0,0,0|1,0,1]=4 1570 B5R0.2 CCCN=C=O TS03505 [1,1,0,0,0,0|1,0,1]=4 1571 B5R0.2 CCCNCC TS71783 [1,1,0,0,0,0|1,0,1]=4 1572 B5R0.2 CCCOC=C TS29507 [1,1,0,0,0,0|1,0,1]=4 1573 B5R0.2 CCCOC=O TS03584 [1,1,0,0,0,0|1,0,0]=3 1574 B5R0.2 CCCOCC TS71799 [1,1,0,0,0,0|0,1,1]=4 1575 B5R0.2 CCCOCCl TS04165 [1,1,0,0,0,0|0,1,1]=4 1576 B5R0.2 CCCON=O TS71824 [1,1,0,0,0,0|2,0,0]=4 1577 B5R0.2 CCCSC#N TS03911 [1,1,0,0,0,0|0,0,2]=4 1578 B5R0.2 CCCSCC TS31700 [1,1,0,0,0,0|0,0,1]=3 1579 B5R0.2 CCCSSC TS04934 [1,1,0,0,0,0|0,0,1]=3 1580 B5R0.2 CCOC=CC TS71751 [1,1,0,0,0,0|0,1,1]=4 1581 B5R0.2 CCOCC=C TS71744 [1,1,0,0,0,0|0,1,1]=4 1582 B5R0.2 CCSCC=C TS03981 [1,1,0,0,0,0|0,0,1]=3 1583 B5R0.2 CCSCCBr TS44968 [1,1,0,0,0,0|1,0,1]=4 1584 B5R0.2 CCSCCCl TS36036 [1,1,0,0,0,0|1,0,1]=4 1585 B5R0.2 CCSCCN TS31712 [1,1,0,0,0,0|1,0,1]=4 1586 B5R0.2 CCSCCN TS37539 [1,1,0,0,0,0|1,0,1]=4 1587 B5R0.2 CCSCCO TS59769 [1,1,0,0,0,0|0,0,2]=4 1588 B5R0.2 CCSSCC TS59782 [1,1,0,0,0,0|1,0,1]=4 1589 B5R0.2 CNCCCCl TS40140 [1,1,0,0,0,0|1,0,1]=4 1590 B5R0.2 CNCCCN TS71808 [1,1,0,0,0,0|1,0,1]=4 1591 B5R0.2 CNCCNC TS56355 [1,1,0,0,0,0|1,0,1]=4 1592 B5R0.2 CNCCOC TS03607 [1,1,0,0,0,0|0,1,1]=4 1593 B5R0.2 COC=CC=O TS71739 [1,1,0,0,0,0|0,1,1]=4 1594 B5R0.2 COCCCBr TS10272 [1,1,0,0,0,0|0,1,1]=4 1595 B5R0.2 COCCCCl TS04163 [1,1,0,0,0,0|0,1,1]=4 1596 B5R0.2 COCCCN TS03603 [1,1,0,0,0,0|0,1,1]=4 1597 B5R0.2 COCCCO TS70643 [1,1,0,0,0,0|0,1,1]=4 1598 B5R0.2 COCCOC TS07877 [1,1,0,0,0,0|0,1,1]=4 1599 B5R0.2 CSCCCN TS65714 [1,1,0,0,0,0|0,0,1]=3 1600 B5R0.2 CSCCCO TS04105 [1,1,0,0,0,0|0,0,1]=3 1601 B5R0.2 CSSCC=C TS32437 [1,1,0,0,0,0|0,0,1]=3 1602 B5R0.2 CSSSSC TS11071 [1,1,0,0,0,0|2,0,0]=4 1603 B5R0.2 C[SiH2]CC[SiH2]C TS04760 [1,1,0,0,0,0|1,0,1]=4 1604 B7R0.2 C(C(CN)N)C(=O)O TS32339 [0,2,0,0,0,0|2,0,0]=4 1605 B7R0.2 C([C@@H](CN)N)C(=O)O TS08133 [0,2,0,0,0,0|2,0,0]=4 1606 B7R0.2 C([C@@H](CO)N)C(=O)O TS32376 [0,2,0,0,0,0|2,0,0]=4 1607 B7R0.2 C([C@H](CN)N)C(=O)O TS08078 [0,2,0,0,0,0|2,0,0]=4 1608 B7R0.2 C([C@H](CN)O)C(=O)O TS32382 [0,2,0,0,0,0|2,0,0]=4 1609 B7R0.2 C([C@H](CO)N)C(=O)O TS74514 [0,2,0,0,0,0|2,0,0]=4 1610 B7R0.2 CC(=CC(=O)C)NC TS04388 [0,2,0,0,0,0|1,0,1]=4 1611 B7R0.2 CC(=CC(=O)C)O[Ir] TS78858 [0,2,0,0,0,0|1,0,1]=4 1612 B7R0.2 CC(=CC(=O)C)O[Tl] TS74884 [0,2,0,0,0,0|1,0,1]=4 1613 B7R0.2 CC(=CC(=O)OC)C TS08562 [0,2,0,0,0,0|1,0,1]=4 1614 B7R0.2 CC(=CC(=O)OC)N TS08575 [0,2,0,0,0,0|1,0,1]=4 1615 B7R0.2 CC(=CN(C)C)C=O TS32017 [0,2,0,0,0,0|1,0,1]=4 1616 B7R0.2 CC(=O)CC(=O)NC TS04520 [0,2,0,0,0,0|1,0,0]=3 1617 B7R0.2 CC(=O)CC(=O)OC TS32187 [0,2,0,0,0,0|0,1,0]=3 1618 B7R0.2 CC(=O)NC(=O)CN TS32199 [0,2,0,0,0,0|2,0,0]=4 1619 B7R0.2 CC(=O)NC(=O)NC TS32196 [0,2,0,0,0,0|1,0,1]=4 1620 B7R0.2 CC(=O)OC(CBr)Br TS27398 [0,2,0,0,0,0|2,0,0]=4 1621 B7R0.2 CC(C)CC(=NO)C TS32168 [0,2,0,0,0,0|1,0,1]=4 1622 B7R0.2 CC(C)CC(=O)OC TS04588 [0,2,0,0,0,0|1,0,0]=3 1623 B7R0.2 CC(C)CC(=O)SC TS05775 [0,2,0,0,0,0|1,0,0]=3 1624 B7R0.2 CC(C)NC(=O)CCl TS06023 [0,2,0,0,0,0|2,0,0]=4 1625 B7R0.2 CC(C)OC(=O)CCl TS37073 [0,2,0,0,0,0|2,0,0]=4 1626 B7R0.2 CC(C)OC(=O)CN TS41311 [0,2,0,0,0,0|2,0,0]=4 1627 B7R0.2 CC(C)OC(=O)CO TS32323 [0,2,0,0,0,0|2,0,0]=4 1628 B7R0.2 CC(C)OC(=O)CS TS05924 [0,2,0,0,0,0|2,0,0]=4 1629 B7R0.2 CC(CC(=O)OC)Br TS65942 [0,2,0,0,0,0|1,0,0]=3 1630 B7R0.2 CCC(=C)CC(C)C TS04352 [0,2,0,0,0,0|2,0,0]=4 1631 B7R0.2 CCC(=O)CC(=O)C TS00653 [0,2,0,0,0,0|1,0,0]=3 1632 B7R0.2 CCC(=O)CC(C)C TS32113 [0,2,0,0,0,0|1,0,0]=3 1633 B7R0.2 CCC(C)CC(=C)C TS04345 [0,2,0,0,0,0|2,0,0]=4 1634 B7R0.2 CCC(C)CC(=O)C TS04467 [0,2,0,0,0,0|1,0,0]=3 1635 B7R0.2 CCC(C)CC(=O)Cl TS05950 [0,2,0,0,0,0|2,0,0]=4 1636 B7R0.2 CCC(C)CC(=O)O TS04597 [0,2,0,0,0,0|2,0,0]=4 1637 B7R0.2 CCC(C)NC(=O)N TS04603 [0,2,0,0,0,0|2,0,0]=4 1638 B7R0.2 CCC(C)OC(=O)C TS32210 [0,2,0,0,0,0|1,0,0]=3 1639 B7R0.2 CCC(C)OC(=O)Cl TS06133 [0,2,0,0,0,0|2,0,0]=4 1640 B7R0.2 CCC(CC(=C)C)O TS32110 [0,2,0,0,0,0|2,0,0]=4 1641 B7R0.2 CCC(CC(=O)O)N TS04672 [0,2,0,0,0,0|2,0,0]=4 1642 B7R0.2 CCC(CC(=O)O)O TS32318 [0,2,0,0,0,0|2,0,0]=4 1643 B7R0.2 CC[C@@H](C)CC(=O)O TS04583 [0,2,0,0,0,0|2,0,0]=4 1644 B7R0.2 CC[C@@H](CC(=O)O)N TS32279 [0,2,0,0,0,0|2,0,0]=4 1645 B7R0.2 CC[C@H](C)CC(=O)O TS04594 [0,2,0,0,0,0|2,0,0]=4 1646 B7R0.2 CC[C@H](CC(=O)O)N TS04666 [0,2,0,0,0,0|2,0,0]=4 1647 B7R0.2 CN(C)CC(=O)NN TS04683 [0,2,0,0,0,0|2,0,0]=4 1648 B7R0.2 CN(C)CC(=O)OC TS04665 [0,2,0,0,0,0|1,0,0]=3 1649 B7R0.2 CN(CC(=O)O)N=O TS04701 [0,2,0,0,0,0|2,0,0]=4 1650 B7R0.2 CNC(=O)CC(=S)N TS05754 [0,2,0,0,0,0|2,0,0]=4 1651 B7R0.2 COC(=O)CC(=O)[O-] TS04695 [0,2,0,0,0,0|1,1,0]=4 1652 B7R0.2 COC(=O)C[N+](=O)[O-] TS32374 [0,2,0,0,0,0|2,0,0]=4 1653 B7R0.2 C[C@@H](CC(=O)OC)O TS77156 [0,2,0,0,0,0|1,0,0]=3 1654 B7R0.2 C[C@H](CC(=O)OC)O TS01535 [0,2,0,0,0,0|1,0,0]=3 1655 B7R0.3 C#CCNC(=O)CCl TS05681 [0,2,0,0,0,0|1,0,1]=4 1656 B7R0.3 C(C=CC(=O)CCl)N TS64929 [0,2,0,0,0,0|1,0,1]=4 1657 B7R0.3 C(CC(=O)NN)CO TS32340 [0,2,0,0,0,0|2,0,0]=4 1658 B7R0.3 C=CCOC(=O)CCl TS05941 [0,2,0,0,0,0|1,0,1]=4 1659 B7R0.3 CCC#CC(=O)OC TS31922 [0,2,0,0,0,0|1,0,1]=4 1660 B7R0.3 CCC(=O)NCCO TS32284 [0,2,0,0,0,0|2,0,0]=4 1661 B7R0.3 CCC(=O)OCC#C TS31921 [0,2,0,0,0,0|1,0,1]=4 1662 B7R0.3 CCC(=O)OCC=C TS04450 [0,2,0,0,0,0|1,0,1]=4 1663 B7R0.3 CCC=CC(=O)OC TS56262 [0,2,0,0,0,0|1,0,1]=4 1664 B7R0.3 CCCCC(=C)CC TS04366 [0,2,0,0,0,0|2,0,0]=4 1665 B7R0.3 CCCCC(=CC)C TS04336 [0,2,0,0,0,0|2,0,0]=4 1666 B7R0.3 CCCCC(=NO)C TS04540 [0,2,0,0,0,0|1,0,1]=4 1667 B7R0.3 CCCCC(=O)CC TS04462 [0,2,0,0,0,0|1,0,0]=3 1668 B7R0.3 CCCCC(=O)NC TS32169 [0,2,0,0,0,0|1,0,0]=3 1669 B7R0.3 CCCCC(=O)NN TS04606 [0,2,0,0,0,0|2,0,0]=4 1670 B7R0.3 CCCCC(=O)OC TS32226 [0,2,0,0,0,0|1,0,0]=3 1671 B7R0.3 CCCCN(C)N=O TS04602 [0,2,0,0,0,0|2,0,0]=4 1672 B7R0.3 CCCOC(=O)C=C TS04429 [0,2,0,0,0,0|1,0,1]=4 1673 B7R0.3 CCCOC(=O)CCl TS06137 [0,2,0,0,0,0|1,0,0]=3 1674 B7R0.3 CCCOC(=O)CN TS41315 [0,2,0,0,0,0|1,0,0]=3 1675 B7R0.3 CCCOC(=O)OC TS32321 [0,2,0,0,0,0|1,0,0]=3 1676 B7R0.3 CCCSC(=O)CC TS05773 [0,2,0,0,0,0|1,0,0]=3 1677 B7R0.3 CCOC=C(C)C=O TS04427 [0,2,0,0,0,0|0,1,1]=4 1678 B7R0.3 CCSCC(CO)O TS06111 [0,2,0,0,0,0|0,0,2]=4 1679 B7R0.3 COC(=O)C#CCO TS32037 [0,2,0,0,0,0|1,0,1]=4 1680 B7R0.3 COC(=O)C=CCBr TS47660 [0,2,0,0,0,0|1,0,1]=4 1681 B7R0.3 COC(=O)C=CCBr TS93086 [0,2,0,0,0,0|1,0,1]=4 1682 B7R0.3 COC(=O)CCC#N TS02730 [0,2,0,0,0,0|1,0,1]=4 1683 B7R0.3 COC(=O)CCC=O TS02246 [0,2,0,0,0,0|1,0,1]=4 1684 B7R0.3 COC(=O)CCCBr TS09599 [0,2,0,0,0,0|1,0,0]=3 1685 B7R0.3 COC(=O)CCCCl TS06131 [0,2,0,0,0,0|1,0,0]=3 1686 B7R0.3 COC(=O)CCCI TS52575 [0,2,0,0,0,0|1,0,0]=3 1687 B7R0.3 COC(=O)CCCN TS41316 [0,2,0,0,0,0|1,0,0]=3 1688 B7R0.3 COC(=O)CCSC TS05919 [0,2,0,0,0,0|0,0,0]=2 1689 B7R0.3 COC(=O)CNC=O TS32271 [0,2,0,0,0,0|1,0,1]=4 1690 B7R0.3 COC(=O)OCC=C TS94827 [0,2,0,0,0,0|1,0,1]=4 1691 B7R0.3 COC=CC(=O)OC TS32188 [0,2,0,0,0,0|0,1,1]=4 1692 B7R0.3 COCCC(=O)NN TS32330 [0,2,0,0,0,0|1,1,0]=4 1693 B7R0.3 COCCC(=O)OC TS32322 [0,2,0,0,0,0|0,1,0]=3 1694 B7R0.3 COCOC(=C)CCl TS06136 [0,2,0,0,0,0|1,1,0]=4 1695 B7R0.3 CSCCC(CO)N TS06018 [0,2,0,0,0,0|1,0,1]=4 1696 B7R0.3 CSCC[C@@H](CO)N TS07679 [0,2,0,0,0,0|1,0,1]=4 1697 B7R0.3 CSCC[C@H](CO)N TS22806 [0,2,0,0,0,0|1,0,1]=4 1698 B7R0.5 C(CBr)C(C(=O)O)Br TS27394 [0,2,0,0,0,0|2,0,0]=4 1699 B7R0.5 C(CBr)[C@@H](C(=O)O)N TS68673 [0,2,0,0,0,0|2,0,0]=4 1700 B7R0.5 C(CN)C(C(=O)O)N TS32337 [0,2,0,0,0,0|2,0,0]=4 1701 B7R0.5 C(CN)C(C(=O)O)N TS51238 [0,2,0,0,0,0|2,0,0]=4 1702 B7R0.5 C(CN)C(C(=O)O)O TS02964 [0,2,0,0,0,0|2,0,0]=4 1703 B7R0.5 C(CN)[C@@H](C(=O)O)N TS01514 [0,2,0,0,0,0|2,0,0]=4 1704 B7R0.5 C(CN)[C@@H](C(=O)O)N TS54154 [0,2,0,0,0,0|2,0,0]=4 1705 B7R0.5 C(CN)[C@@H](C(=O)O)O TS46625 [0,2,0,0,0,0|2,0,0]=4 1706 B7R0.5 C(CN)[C@H](C(=O)O)F TS04856 [0,2,0,0,0,0|2,0,0]=4 1707 B7R0.5 C(CN)[C@H](C(=O)O)N TS04719 [0,2,0,0,0,0|2,0,0]=4 1708 B7R0.5 C(CN)[C@H](C(=O)O)N TS51237 [0,2,0,0,0,0|2,0,0]=4 1709 B7R0.5 C(CO)C(C(=O)O)N TS32380 [0,2,0,0,0,0|2,0,0]=4 1710 B7R0.5 C(CO)[C@@H](C(=O)O)N TS01524 [0,2,0,0,0,0|2,0,0]=4 1711 B7R0.5 C(CO)[C@@H](C(=O)O)N TS59867 [0,2,0,0,0,0|2,0,0]=4 1712 B7R0.5 C(CO)[C@@H](C(=O)O)O TS32406 [0,2,0,0,0,0|2,0,0]=4 1713 B7R0.5 C(CO)[C@H](C(=O)O)N TS01423 [0,2,0,0,0,0|2,0,0]=4 1714 B7R0.5 C(CS)C(C(=O)O)N TS05996 [0,2,0,0,0,0|2,0,0]=4 1715 B7R0.5 C(CS)[C@@H](C(=O)O)N TS05998 [0,2,0,0,0,0|2,0,0]=4 1716 B7R0.5 C(CS)[C@H](C(=O)O)N TS05994 [0,2,0,0,0,0|2,0,0]=4 1717 B7R0.5 CC(C)C(=O)CC#N TS60063 [0,2,0,0,0,0|2,0,0]=4 1718 B7R0.5 CCC=C(C)C(=O)O TS04448 [0,2,0,0,0,0|1,0,1]=4 1719 B7R0.5 CCCC(=C(C)C)C TS04362 [0,2,0,0,0,0|2,0,0]=4 1720 B7R0.5 CCCC(=C)C(C)C TS04341 [0,2,0,0,0,0|2,0,0]=4 1721 B7R0.5 CCCC(=O)C(=O)C TS32062 [0,2,0,0,0,0|1,0,0]=3 1722 B7R0.5 CCCC(=O)C(=O)O TS32183 [0,2,0,0,0,0|1,0,1]=4 1723 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [0,2,0,0,0,0|1,0,1]=4 1724 B7R0.5 CCCC(=O)C(C)C TS32114 [0,2,0,0,0,0|1,0,0]=3 1725 B7R0.5 CCCC(=O)N(C)C TS32149 [0,2,0,0,0,0|1,0,0]=3 1726 B7R0.5 CCCC(C(=O)Cl)Br TS18873 [0,2,0,0,0,0|2,0,0]=4 1727 B7R0.5 CCCC(C(=O)O)Br TS14719 [0,2,0,0,0,0|2,0,0]=4 1728 B7R0.5 CCCC(C(=O)O)N TS04663 [0,2,0,0,0,0|2,0,0]=4 1729 B7R0.5 CCCC(C(=O)[O-])O TS06422 [0,2,0,0,0,0|2,0,0]=4 1730 B7R0.5 CCCC(C)C(=C)C TS31970 [0,2,0,0,0,0|2,0,0]=4 1731 B7R0.5 CCCC(C)C(=O)C TS04464 [0,2,0,0,0,0|1,0,0]=3 1732 B7R0.5 CCCC(C)C(=O)Cl TS05952 [0,2,0,0,0,0|1,0,1]=4 1733 B7R0.5 CCC[C@@H](C(=O)N)N TS41224 [0,2,0,0,0,0|2,0,0]=4 1734 B7R0.5 CCC[C@@H](C(=O)O)N TS93993 [0,2,0,0,0,0|2,0,0]=4 1735 B7R0.5 CCC[C@H](C(=O)O)N TS04664 [0,2,0,0,0,0|2,0,0]=4 1736 B7R0.5 CCNC(=O)C(=C)C TS04389 [0,2,0,0,0,0|2,0,0]=4 1737 B7R0.5 CCOC(=O)C(=C)C TS00098 [0,2,0,0,0,0|2,0,0]=4 1738 B7R0.5 CCOC(=O)C(=O)C TS01478 [0,2,0,0,0,0|0,1,1]=4 1739 B7R0.5 CCOC(=O)C(Br)Br TS27397 [0,2,0,0,0,0|2,0,0]=4 1740 B7R0.5 CCOC(=O)C(C)Br TS55906 [0,2,0,0,0,0|2,0,0]=4 1741 B7R0.5 CCOC(=O)C(C)C TS32217 [0,2,0,0,0,0|2,0,0]=4 1742 B7R0.5 CCOC(=O)C(C)Cl TS55916 [0,2,0,0,0,0|2,0,0]=4 1743 B7R0.5 CCOC(=O)C(C)F TS32420 [0,2,0,0,0,0|2,0,0]=4 1744 B7R0.5 CCOC(=O)C(C)N TS55877 [0,2,0,0,0,0|2,0,0]=4 1745 B7R0.5 CCOC(=O)C(C)O TS04714 [0,2,0,0,0,0|2,0,0]=4 1746 B7R0.5 CCOC(=O)C(C)S TS05920 [0,2,0,0,0,0|2,0,0]=4 1747 B7R0.5 CCOC(=O)C(Cl)Cl TS10814 [0,2,0,0,0,0|2,0,0]=4 1748 B7R0.5 CCOC(=O)C(F)Br TS15410 [0,2,0,0,0,0|2,0,0]=4 1749 B7R0.5 CCOC(=O)C(F)Cl TS37443 [0,2,0,0,0,0|2,0,0]=4 1750 B7R0.5 CCOC(=O)C(F)F TS39847 [0,2,0,0,0,0|2,0,0]=4 1751 B7R0.5 CCOC(=O)C(F)I TS53245 [0,2,0,0,0,0|2,0,0]=4 1752 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [0,2,0,0,0,0|2,0,0]=4 1753 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [0,2,0,0,0,0|2,0,0]=4 1754 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [0,2,0,0,0,0|2,0,0]=4 1755 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [0,2,0,0,0,0|2,0,0]=4 1756 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [0,2,0,0,0,0|2,0,0]=4 1757 B7R0.5 CN(C)C(=O)CC#N TS31923 [0,2,0,0,0,0|2,0,0]=4 1758 B7R0.5 CNC[C@@H](C(=O)O)N TS32335 [0,2,0,0,0,0|2,0,0]=4 1759 B7R0.5 CNC[C@H](C(=O)O)N TS32332 [0,2,0,0,0,0|2,0,0]=4 1760 B7R0.5 COCC(C(=O)O)Cl TS55196 [0,2,0,0,0,0|1,1,0]=4 1761 B7R0.5 COCC(C(=O)O)N TS32379 [0,2,0,0,0,0|1,1,0]=4 1762 B7R0.5 COC[C@@H](C(=O)O)N TS32377 [0,2,0,0,0,0|1,1,0]=4 1763 B7R0.5 COC[C@@H](C(=O)O)N TS41554 [0,2,0,0,0,0|1,1,0]=4 1764 B7R0.5 COC[C@H](C(=O)O)N TS59337 [0,2,0,0,0,0|1,1,0]=4 1765 B7R0.5 CSC[C@@H](C(=O)O)N TS01687 [0,2,0,0,0,0|1,0,0]=3 1766 B7R0.5 [2H]CN[C@@H](C)C(=O)O TS31638 [0,2,0,0,0,0|2,0,0]=4 1767 B7R0.7 C(CCl)C(=O)CCCl TS46816 [0,2,0,0,0,0|2,0,0]=4 1768 B7R0.7 C(CO)C(=O)CCO TS04717 [0,2,0,0,0,0|2,0,0]=4 1769 B7R0.7 CCCC(=CCC)C TS31954 [0,2,0,0,0,0|2,0,0]=4 1770 B7R0.7 CCCC(=O)CCC TS32100 [0,2,0,0,0,0|1,0,0]=3 1771 B7R0.7 CCCC(=O)OC=C TS04453 [0,2,0,0,0,0|1,0,1]=4 1772 B7R0.7 CCCC(=O)OCC TS32219 [0,2,0,0,0,0|1,0,0]=3 1773 B7R0.7 CCCC(=O)OCCl TS55810 [0,2,0,0,0,0|1,0,0]=3 1774 B7R0.7 CCCC(=S)OCC TS05779 [0,2,0,0,0,0|1,1,0]=4 1775 B7R0.7 CCCC(=S)OCC TS07488 [0,2,0,0,0,0|1,1,0]=4 1776 B7R0.7 CCCS(=O)CCC TS36875 [0,2,0,0,0,0|2,0,0]=4 1777 B7R0.7 CCNC(=O)NCC TS04609 [0,2,0,0,0,0|2,0,0]=4 1778 B7R0.7 CCNC(=O)OCC TS04671 [0,2,0,0,0,0|2,0,0]=4 1779 B7R0.7 CCOC(=O)C#CC TS08727 [0,2,0,0,0,0|1,0,1]=4 1780 B7R0.7 CCOC(=O)C=CC TS04436 [0,2,0,0,0,0|1,0,1]=4 1781 B7R0.7 CCOC(=O)CC#C TS31911 [0,2,0,0,0,0|1,0,1]=4 1782 B7R0.7 CCOC(=O)CC#N TS32007 [0,2,0,0,0,0|2,0,0]=4 1783 B7R0.7 CCOC(=O)CC=C TS04444 [0,2,0,0,0,0|1,0,1]=4 1784 B7R0.7 CCOC(=O)CCBr TS08511 [0,2,0,0,0,0|2,0,0]=4 1785 B7R0.7 CCOC(=O)CCCl TS66003 [0,2,0,0,0,0|2,0,0]=4 1786 B7R0.7 CCOC(=O)CCI TS56139 [0,2,0,0,0,0|2,0,0]=4 1787 B7R0.7 CCOC(=O)CCN TS01886 [0,2,0,0,0,0|2,0,0]=4 1788 B7R0.7 CCOC(=O)CCN TS04667 [0,2,0,0,0,0|2,0,0]=4 1789 B7R0.7 CCOC(=O)CCS TS05923 [0,2,0,0,0,0|2,0,0]=4 1790 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [0,2,0,0,0,0|2,0,0]=4 1791 B7R0.7 CCOC(=O)CNC TS01479 [0,2,0,0,0,0|1,0,0]=3 1792 B7R0.7 CCOC(=O)CNN TS56149 [0,2,0,0,0,0|2,0,0]=4 1793 B7R0.7 CCOC(=O)COC TS32327 [0,2,0,0,0,0|0,1,0]=3 1794 B7R0.7 CCOC(=O)CSC TS05917 [0,2,0,0,0,0|0,0,0]=2 1795 B7R0.7 CCOC(=O)C[N+]#[C-] TS01459 [0,2,0,0,0,0|1,0,1]=4 1796 B7R0.7 CCOC(=O)NOC TS32378 [0,2,0,0,0,0|1,1,0]=4 1797 B7R0.7 CCOC(=O)OCC TS32315 [0,2,0,0,0,0|2,0,0]=4 1798 B7R0.7 CCOC(=O)OCCl TS37245 [0,2,0,0,0,0|2,0,0]=4 1799 B7R0.7 CCSC(=O)SCC TS40933 [0,2,0,0,0,0|2,0,0]=4 1800 B7R0.7 CSCC(CSC)O TS10235 [0,2,0,0,0,0|0,0,2]=4 1801 B7R0.10 CC(C(=O)OC)OC TS32317 [0,2,0,0,0,0|0,1,0]=3 1802 B7R0.10 CC(C(=O)OC)SC TS05922 [0,2,0,0,0,0|0,0,0]=2 1803 B7R0.10 CC=C(C(=O)OC)Br TS47656 [0,2,0,0,0,0|1,0,1]=4 1804 B7R0.10 CC=C(C)C(=O)OC TS32064 [0,2,0,0,0,0|1,0,1]=4 1805 B7R0.10 CC=C(C)C(=O)OC TS32066 [0,2,0,0,0,0|1,0,1]=4 1806 B7R0.10 CCC(C(=O)CC)O TS32221 [0,2,0,0,0,0|1,0,0]=3 1807 B7R0.10 CCC(C(=O)OC)Br TS65236 [0,2,0,0,0,0|1,0,0]=3 1808 B7R0.10 CCC(C(=O)OC)Cl TS06135 [0,2,0,0,0,0|1,0,0]=3 1809 B7R0.10 CCC(C(=O)OC)N TS41307 [0,2,0,0,0,0|1,0,0]=3 1810 B7R0.10 CCC(C(C)C=O)S TS05778 [0,2,0,0,0,0|1,0,1]=4 1811 B7R0.10 CCC(C)C(=C)CC TS04351 [0,2,0,0,0,0|2,0,0]=4 1812 B7R0.10 CCC(C)C(=CC)C TS04350 [0,2,0,0,0,0|2,0,0]=4 1813 B7R0.10 CCC(C)C(=O)CC TS04477 [0,2,0,0,0,0|1,0,0]=3 1814 B7R0.10 CCC(C)C(=O)OC TS04590 [0,2,0,0,0,0|1,0,0]=3 1815 B7R0.10 CCC(C)C(=O)SC TS05776 [0,2,0,0,0,0|1,0,0]=3 1816 B7R0.10 CCC(C)C(C)C=O TS04460 [0,2,0,0,0,0|1,0,1]=4 1817 B7R0.10 CN(C(=O)CCl)OC TS55286 [0,2,0,0,0,0|1,1,0]=4 1818 B7R0.10 CNC(=O)C(=O)NC TS32195 [0,2,0,0,0,0|1,0,1]=4 1819 B7R0.10 COC(=O)C(=O)CBr TS14714 [0,2,0,0,0,0|0,1,1]=4 1820 B7R0.10 COC(=O)C(=O)OC TS39853 [0,2,0,0,0,0|0,1,1]=4 1821 B7R0.10 COC(=O)C(C=C)O TS32185 [0,2,0,0,0,0|1,0,1]=4 1822 B7R0.10 COC(=O)C(CBr)Br TS27392 [0,2,0,0,0,0|2,0,0]=4 1823 B7R0.10 COC(=O)C(CCl)Cl TS10813 [0,2,0,0,0,0|2,0,0]=4 1824 B7R0.10 COC(=O)C(CCl)N TS08717 [0,2,0,0,0,0|2,0,0]=4 1825 B7R0.10 COC(=O)C(CO)Cl TS37246 [0,2,0,0,0,0|2,0,0]=4 1826 B7R0.10 COC(=O)C(CO)N TS47365 [0,2,0,0,0,0|2,0,0]=4 1827 B7R0.10 COC(=O)[C@@H](CCl)N TS45716 [0,2,0,0,0,0|2,0,0]=4 1828 B7R0.10 COC(=O)[C@@H](CO)N TS55886 [0,2,0,0,0,0|2,0,0]=4 1829 B7R0.10 COC(=O)[C@H](CCl)N TS06211 [0,2,0,0,0,0|2,0,0]=4 1830 B7R0.10 COC(=O)[C@H](CO)N TS46686 [0,2,0,0,0,0|2,0,0]=4 1831 B7R0.10 COC(=O)[C@H](CS)N TS64915 [0,2,0,0,0,0|2,0,0]=4 1832 B7R0.10 COC(C(=O)OC)O TS01782 [0,2,0,0,0,0|0,1,0]=3 1833 B7R0.10 C[C@@H](C(=O)OC)NC TS41312 [0,2,0,0,0,0|1,0,0]=3 1834 B7R0.10 C[C@@H](CBr)C(=O)OC TS14724 [0,2,0,0,0,0|2,0,0]=4 1835 B7R0.10 C[C@@H](CO)C(=O)OC TS59397 [0,2,0,0,0,0|2,0,0]=4 1836 B7R0.10 C[C@H](CBr)C(=O)OC TS14720 [0,2,0,0,0,0|2,0,0]=4 1837 B7R0.10 C[C@H](CO)C(=O)OC TS32320 [0,2,0,0,0,0|2,0,0]=4 1838 B7R0.11 CC(C)(C=O)SSC TS40932 [0,2,0,0,0,0|1,0,1]=4 1839 B7R0.12 COC(CSC)OC TS06112 [0,2,0,0,0,0|0,0,2]=4 1840 B7R0.9 CC(=C)CC(C)(C)C TS31963 [0,2,0,0,0,0|2,0,0]=4 1841 B7R0.9 CC(=C)CC(C)(C)O TS04481 [0,2,0,0,0,0|2,0,0]=4 1842 B7R0.9 CC(=O)CC(C)(C)C TS32105 [0,2,0,0,0,0|1,0,0]=3 1843 B7R0.9 CC(=O)CC(C)(C)N TS23643 [0,2,0,0,0,0|1,0,0]=3 1844 B7R0.9 CC(=O)CC(C)(C)O TS03121 [0,2,0,0,0,0|1,0,0]=3 1845 B7R0.9 CC(=O)CC(C)(C)S TS02240 [0,2,0,0,0,0|1,0,0]=3 1846 B7R0.9 CC(=O)CC(F)(F)F TS05127 [0,2,0,0,0,0|2,0,0]=4 1847 B7R0.9 CC(=O)CS(=O)(=O)C TS36997 [0,2,0,0,0,0|0,0,1]=3 1848 B7R0.9 CC(=O)NC(C)(C)C TS32162 [0,2,0,0,0,0|2,0,0]=4 1849 B7R0.9 CC(=O)N[Si](C)(C)C TS36628 [0,2,0,0,0,0|2,0,0]=4 1850 B7R0.9 CC(=O)OC(C)(C)C TS33213 [0,2,0,0,0,0|2,0,0]=4 1851 B7R0.9 CC(=O)O[Si](C)(C)C TS05784 [0,2,0,0,0,0|2,0,0]=4 1852 B7R0.9 CC(=O)SC(C)(C)C TS05772 [0,2,0,0,0,0|2,0,0]=4 1853 B7R0.9 CC(C)(C)CC(=O)Cl TS65731 [0,2,0,0,0,0|2,0,0]=4 1854 B7R0.9 CC(C)(C)CC(=O)O TS32207 [0,2,0,0,0,0|2,0,0]=4 1855 B7R0.9 CC(C)(CC(=O)O)N TS65844 [0,2,0,0,0,0|2,0,0]=4 1856 B7R0.9 CC(C)(CC(=O)O)O TS04710 [0,2,0,0,0,0|2,0,0]=4 1857 B7R0.9 CS(=O)(=O)CC(=O)N TS06183 [0,2,0,0,0,0|1,0,1]=4 1858 B7R0.9 C[N+](C)(C)CC(=O)O TS39821 [0,2,0,0,0,0|2,0,0]=4 1859 B7R0.9 C[N+](C)(C)CC(=O)[O-] TS04673 [0,2,0,0,0,0|2,0,0]=4 1860 B7R0.9 C[N+](C)(C)CC(=O)[O-] TS05987 [0,2,0,0,0,0|2,0,0]=4 1861 B7R0.9 C[Si](C)(C)CC(=O)O TS05787 [0,2,0,0,0,0|2,0,0]=4 1862 B7R0.16 CC(=O)N(C)C(=O)C TS04528 [0,2,0,0,0,0|2,0,0]=4 1863 B7R0.16 CC(C(=O)C)C(=O)C TS32068 [0,2,0,0,0,0|1,0,0]=3 1864 B7R0.16 CC(C(C(=O)O)Br)Br TS27396 [0,2,0,0,0,0|2,0,0]=4 1865 B7R0.16 CC(C(C(=O)O)N)F TS04855 [0,2,0,0,0,0|2,0,0]=4 1866 B7R0.16 CC(C(C(=O)O)N)N TS32333 [0,2,0,0,0,0|2,0,0]=4 1867 B7R0.16 CC(C(C(=O)O)N)O TS32381 [0,2,0,0,0,0|2,0,0]=4 1868 B7R0.16 CC(C)C(C(=C)C)O TS32111 [0,2,0,0,0,0|2,0,0]=4 1869 B7R0.16 CC(C)C(C(=O)Br)Br TS27078 [0,2,0,0,0,0|2,0,0]=4 1870 B7R0.16 CC(C)C(C(=O)O)Br TS14725 [0,2,0,0,0,0|2,0,0]=4 1871 B7R0.16 CC(C)C(C(=O)O)O TS04712 [0,2,0,0,0,0|2,0,0]=4 1872 B7R0.16 CC(C)C(C)C(=O)O TS32220 [0,2,0,0,0,0|2,0,0]=4 1873 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41225 [0,2,0,0,0,0|2,0,0]=4 1874 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41227 [0,2,0,0,0,0|2,0,0]=4 1875 B7R0.16 CC(C)[C@@H](C(=O)O)Br TS08097 [0,2,0,0,0,0|2,0,0]=4 1876 B7R0.16 CC(C)[C@@H](C(=O)O)Cl TS37075 [0,2,0,0,0,0|2,0,0]=4 1877 B7R0.16 CC(C)[C@@H](C(=O)O)N TS94390 [0,2,0,0,0,0|2,0,0]=4 1878 B7R0.16 CC(C)[C@@H](C(=O)O)O TS32326 [0,2,0,0,0,0|2,0,0]=4 1879 B7R0.16 CC(C)[C@H](C(=O)O)Br TS14723 [0,2,0,0,0,0|2,0,0]=4 1880 B7R0.16 CC(C)[C@H](C(=O)O)Cl TS37074 [0,2,0,0,0,0|2,0,0]=4 1881 B7R0.16 CC(C)[C@H](C(=O)O)N TS59535 [0,2,0,0,0,0|2,0,0]=4 1882 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)N TS51239 [0,2,0,0,0,0|2,0,0]=4 1883 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O TS32386 [0,2,0,0,0,0|2,0,0]=4 1884 B7R0.16 C[C@@H]([C@H](C(=O)O)N)N TS51241 [0,2,0,0,0,0|2,0,0]=4 1885 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O TS39862 [0,2,0,0,0,0|2,0,0]=4 1886 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O TS41461 [0,2,0,0,0,0|2,0,0]=4 1887 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N TS51240 [0,2,0,0,0,0|2,0,0]=4 1888 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O TS74521 [0,2,0,0,0,0|2,0,0]=4 1889 B7R0.13 CC(C)(C(=O)O)NC TS32286 [0,2,0,0,0,0|2,0,0]=4 1890 B7R0.13 CCC(C)(C(=O)O)Br TS14722 [0,2,0,0,0,0|2,0,0]=4 1891 B7R0.13 CCC(C)(C(=O)O)N TS04668 [0,2,0,0,0,0|2,0,0]=4 1892 B7R0.13 CCC(C)(C(=O)O)N TS41309 [0,2,0,0,0,0|2,0,0]=4 1893 B7R0.13 CCC(C)(C(=O)O)O TS04711 [0,2,0,0,0,0|2,0,0]=4 1894 B7R0.13 CCC(C)(C)C(=O)Cl TS39250 [0,2,0,0,0,0|2,0,0]=4 1895 B7R0.13 CCC(C)(C)C(=O)O TS32225 [0,2,0,0,0,0|2,0,0]=4 1896 B7R0.13 CC[C@](C)(C(=O)O)N TS08724 [0,2,0,0,0,0|2,0,0]=4 1897 B7R0.13 CC[C@](C)(C(=O)O)N TS10365 [0,2,0,0,0,0|2,0,0]=4 1898 B7R0.13 CC[C@](C)(C(=O)O)O TS32316 [0,2,0,0,0,0|2,0,0]=4 1899 B7R0.15 CC(=O)C(C#N)C#N TS04138 [0,2,0,0,0,0|2,0,0]=4 1900 B7R0.15 CC(=O)C(OC)OC TS01675 [0,2,0,0,0,0|0,1,0]=3 1901 B7R0.15 CCC(CC)C(=C)C TS31969 [0,2,0,0,0,0|2,0,0]=4 1902 B7R0.15 CCC(CC)C(=O)C TS04458 [0,2,0,0,0,0|1,0,0]=3 1903 B7R0.15 CCC(CC)C(=O)Cl TS05951 [0,2,0,0,0,0|2,0,0]=4 1904 B7R0.15 CCC(CC)C(=O)O TS04596 [0,2,0,0,0,0|2,0,0]=4 1905 B7R0.15 CCC(CC)C(=O)[O-] TS28700 [0,2,0,0,0,0|2,0,0]=4 1906 B7R0.15 CCN(CC)C(=O)C TS32172 [0,2,0,0,0,0|2,0,0]=4 1907 B7R0.15 CC[C@H](CO)C(=O)O TS04708 [0,2,0,0,0,0|2,0,0]=4 1908 B7R0.15 CNC(CS)C(=O)O TS45390 [0,2,0,0,0,0|2,0,0]=4 1909 B7R0.15 CN[C@@H](CO)C(=O)O TS32387 [0,2,0,0,0,0|2,0,0]=4 1910 B7R0.15 CN[C@@H](C[SeH])C(=O)O TS48173 [0,2,0,0,0,0|2,0,0]=4 1911 B7R0.4 C(C#N)SCC(=O)O TS36584 [0,2,0,0,0,0|1,0,0]=3 1912 B7R0.4 C(C#N)SCC(=O)[O-] TS12705 [0,2,0,0,0,0|1,0,0]=3 1913 B7R0.4 C(CC(=O)O)CON TS18930 [0,2,0,0,0,0|2,0,0]=4 1914 B7R0.4 C(CCBr)CC(=O)Cl TS71477 [0,2,0,0,0,0|2,0,0]=4 1915 B7R0.4 C(CCBr)CC(=O)O TS14721 [0,2,0,0,0,0|2,0,0]=4 1916 B7R0.4 C(CCCl)CC(=O)Cl TS10542 [0,2,0,0,0,0|2,0,0]=4 1917 B7R0.4 C(CCCl)CC(=O)O TS06138 [0,2,0,0,0,0|2,0,0]=4 1918 B7R0.4 C(CCN)CC(=O)O TS04661 [0,2,0,0,0,0|2,0,0]=4 1919 B7R0.4 C(CCN)CC(=O)O TS41314 [0,2,0,0,0,0|2,0,0]=4 1920 B7R0.4 C(CCl)OCC(=O)O TS37248 [0,2,0,0,0,0|1,1,0]=4 1921 B7R0.4 C(CNCC(=O)O)N TS32336 [0,2,0,0,0,0|2,0,0]=4 1922 B7R0.4 C(COC(=O)Cl)CCl TS93963 [0,2,0,0,0,0|2,0,0]=4 1923 B7R0.4 C(COCC(=O)N)O TS32389 [0,2,0,0,0,0|1,1,0]=4 1924 B7R0.4 C=CCCCC(=O)O TS04449 [0,2,0,0,0,0|2,0,0]=4 1925 B7R0.4 C=CCNCC(=O)O TS41063 [0,2,0,0,0,0|2,0,0]=4 1926 B7R0.4 CC#CCOC(=O)C TS31919 [0,2,0,0,0,0|1,0,0]=3 1927 B7R0.4 CC(=O)CCCC#N TS04252 [0,2,0,0,0,0|1,0,0]=3 1928 B7R0.4 CC(=O)CCCCBr TS47671 [0,2,0,0,0,0|1,0,0]=3 1929 B7R0.4 CC(=O)CCCCCl TS05947 [0,2,0,0,0,0|1,0,0]=3 1930 B7R0.4 CC(=O)OCCC#C TS31899 [0,2,0,0,0,0|1,0,1]=4 1931 B7R0.4 CC(=O)OCCC=C TS04442 [0,2,0,0,0,0|1,0,1]=4 1932 B7R0.4 CC(=O)OCCCCl TS06130 [0,2,0,0,0,0|1,0,0]=3 1933 B7R0.4 CC(=O)OCCOC TS32328 [0,2,0,0,0,0|0,1,0]=3 1934 B7R0.4 CC(C)CSCCO TS36873 [0,2,0,0,0,0|1,0,1]=4 1935 B7R0.4 CC=CC=CC(=O)C TS31841 [0,2,0,0,0,0|1,0,1]=4 1936 B7R0.4 CC=CCCC(=C)C TS04225 [0,2,0,0,0,0|2,0,0]=4 1937 B7R0.4 CCC=CCC(=O)O TS04425 [0,2,0,0,0,0|2,0,0]=4 1938 B7R0.4 CCCC#CC(=C)C TS04147 [0,2,0,0,0,0|2,0,0]=4 1939 B7R0.4 CCCC#CC(=O)C TS31834 [0,2,0,0,0,0|1,0,0]=3 1940 B7R0.4 CCCC#CC(=O)O TS31912 [0,2,0,0,0,0|2,0,0]=4 1941 B7R0.4 CCCC=CC(=O)C TS31936 [0,2,0,0,0,0|1,0,0]=3 1942 B7R0.4 CCCC=CC(=O)O TS59547 [0,2,0,0,0,0|2,0,0]=4 1943 B7R0.4 CCCCC=C(C)C TS04347 [0,2,0,0,0,0|2,0,0]=4 1944 B7R0.4 CCCCCC(=C)C TS04340 [0,2,0,0,0,0|2,0,0]=4 1945 B7R0.4 CCCCCC(=O)C TS32098 [0,2,0,0,0,0|1,0,0]=3 1946 B7R0.4 CCCCCC(=O)Cl TS05948 [0,2,0,0,0,0|2,0,0]=4 1947 B7R0.4 CCCCCC(=O)N TS32152 [0,2,0,0,0,0|2,0,0]=4 1948 B7R0.4 CCCCCC(=O)O TS32204 [0,2,0,0,0,0|2,0,0]=4 1949 B7R0.4 CCCCCC(=O)[O-] TS37174 [0,2,0,0,0,0|2,0,0]=4 1950 B7R0.4 CCCCCC(=O)[O-] TS58596 [0,2,0,0,0,0|2,0,0]=4 1951 B7R0.4 CCCCNC(=O)C TS32171 [0,2,0,0,0,0|1,0,0]=3 1952 B7R0.4 CCCCNC(=O)N TS04607 [0,2,0,0,0,0|2,0,0]=4 1953 B7R0.4 CCCCOC(=O)C TS32218 [0,2,0,0,0,0|1,0,0]=3 1954 B7R0.4 CCCCOC(=O)Cl TS16538 [0,2,0,0,0,0|2,0,0]=4 1955 B7R0.4 CCCCOC(=O)N TS04660 [0,2,0,0,0,0|2,0,0]=4 1956 B7R0.4 CCCCOC(=S)C TS05777 [0,2,0,0,0,0|1,1,0]=4 1957 B7R0.4 CCCNCC(=O)O TS04670 [0,2,0,0,0,0|2,0,0]=4 1958 B7R0.4 CCCOCC(=O)O TS32314 [0,2,0,0,0,0|1,1,0]=4 1959 B7R0.4 CCCSCC(=O)O TS05921 [0,2,0,0,0,0|1,0,0]=3 1960 B7R0.4 CCCSCC(C)C TS05789 [0,2,0,0,0,0|1,0,1]=4 1961 B7R0.4 CCOCCC(=O)C TS04589 [0,2,0,0,0,0|0,1,0]=3 1962 B7R0.4 CCOCCC(=O)O TS32325 [0,2,0,0,0,0|1,1,0]=4 1963 B7R0.4 CCSCCC(C)C TS05793 [0,2,0,0,0,0|1,0,1]=4 1964 B7R0.4 CNCCCC(=O)O TS41308 [0,2,0,0,0,0|2,0,0]=4 1965 B7R0.4 COCCOC(=O)Cl TS37247 [0,2,0,0,0,0|1,1,0]=4 1966 B7R0.6 C(C(=O)O)SC(=N)N TS05895 [0,2,0,0,0,0|1,0,1]=4 1967 B7R0.6 CC(=C)CCC(=O)C TS04310 [0,2,0,0,0,0|1,0,0]=3 1968 B7R0.6 CC(=C)COC(=O)C TS04432 [0,2,0,0,0,0|1,0,0]=3 1969 B7R0.6 CC(=CCC(=O)O)C TS04452 [0,2,0,0,0,0|2,0,0]=4 1970 B7R0.6 CC(=NNC(=O)C)C TS32085 [0,2,0,0,0,0|2,0,0]=4 1971 B7R0.6 CC(=O)CCC(=O)C TS00680 [0,2,0,0,0,0|1,0,0]=3 1972 B7R0.6 CC(=O)CCC(=O)O TS64917 [0,2,0,0,0,0|1,0,1]=4 1973 B7R0.6 CC(=O)CNC(=O)C TS01998 [0,2,0,0,0,0|1,0,0]=3 1974 B7R0.6 CC(=O)COC(=O)C TS32186 [0,2,0,0,0,0|0,1,0]=3 1975 B7R0.6 CC(=O)NCC(=O)O TS33214 [0,2,0,0,0,0|2,0,0]=4 1976 B7R0.6 CC(=O)NNC(=O)C TS32201 [0,2,0,0,0,0|2,0,0]=4 1977 B7R0.6 CC(=O)OCC(=O)Cl TS37071 [0,2,0,0,0,0|1,1,0]=4 1978 B7R0.6 CC(=O)OCC(=O)O TS04693 [0,2,0,0,0,0|1,1,0]=4 1979 B7R0.6 CC(=O)OCC(F)F TS05005 [0,2,0,0,0,0|2,0,0]=4 1980 B7R0.6 CC(=O)OOC(=O)C TS04696 [0,2,0,0,0,0|1,1,0]=4 1981 B7R0.6 CC(=O)SSC(=O)C TS09930 [0,2,0,0,0,0|1,0,0]=3 1982 B7R0.6 CC(C)C=CC(=O)C TS01150 [0,2,0,0,0,0|1,0,1]=4 1983 B7R0.6 CC(C)CCC(=C)C TS31967 [0,2,0,0,0,0|2,0,0]=4 1984 B7R0.6 CC(C)CCC(=O)C TS32095 [0,2,0,0,0,0|1,0,0]=3 1985 B7R0.6 CC(C)CCC(=O)Cl TS05954 [0,2,0,0,0,0|2,0,0]=4 1986 B7R0.6 CC(C)CCC(=O)O TS32208 [0,2,0,0,0,0|2,0,0]=4 1987 B7R0.6 CC(C)CNC(=O)N TS04600 [0,2,0,0,0,0|2,0,0]=4 1988 B7R0.6 CC(C)COC(=O)C TS04598 [0,2,0,0,0,0|1,0,0]=3 1989 B7R0.6 CC(C)COC(=O)Cl TS74510 [0,2,0,0,0,0|2,0,0]=4 1990 B7R0.6 CC(C)COC(=O)N TS32285 [0,2,0,0,0,0|2,0,0]=4 1991 B7R0.6 CC(C)OCC(=O)O TS04716 [0,2,0,0,0,0|1,1,0]=4 1992 B7R0.6 CC(CCC(=C)C)O TS32103 [0,2,0,0,0,0|2,0,0]=4 1993 B7R0.6 CC(CCC(=O)Cl)Cl TS10541 [0,2,0,0,0,0|2,0,0]=4 1994 B7R0.6 CC(COC(=O)C)O TS32324 [0,2,0,0,0,0|1,0,0]=3 1995 B7R0.6 C[S+](C)CCC(=O)O TS12940 [0,2,0,0,0,0|1,0,1]=4 1996 B7R0.6 C[S+](C)CCC(=O)O TS21843 [0,2,0,0,0,0|1,0,1]=4 1997 B7R0.6 C[S+](C)CCC(=O)[O-] TS39378 [0,2,0,0,0,0|1,0,1]=4 1998 B7R0.8 CP(=O)(CCCN)O TS13406 [0,2,0,0,0,0|2,0,0]=4 1999 B7R0.8 CP(=O)(CCCN)O TS37084 [0,2,0,0,0,0|2,0,0]=4 2000 B5R1.2 C1C(=O)CN1 TS03373 [1,0,0,1,0,0|1,0,0]=3 2001 B5R1.2 C1C(=O)CN1 TS46446 [1,0,0,1,0,0|1,0,0]=3 2002 B5R1.2 C1C(=O)CO1 TS70694 [1,0,0,1,0,0|0,1,0]=3 2003 B5R1.2 C1C(=O)CS1 TS90454 [1,0,0,1,0,0|0,0,0]=2 2004 B5R1.2 C1C(CS1)N TS85859 [1,0,0,1,0,0|1,0,1]=4 2005 B5R1.2 C1CC(=O)C1 TS01399 [1,0,0,1,0,0|0,0,0]=2 2006 B5R1.2 C1CC(C1)Br TS36910 [1,0,0,1,0,0|1,0,1]=4 2007 B5R1.2 C1CC(C1)Cl TS03632 [1,0,0,1,0,0|1,0,1]=4 2008 B5R1.2 C1CC(C1)N TS03375 [1,0,0,1,0,0|1,0,1]=4 2009 B5R1.2 C1CC(C1)N TS04122 [1,0,0,1,0,0|1,0,1]=4 2010 B5R1.2 C1CC(C1)O TS59758 [1,0,0,1,0,0|0,0,2]=4 2011 B5R1.2 C1CNC1=O TS55052 [1,0,0,1,0,0|1,0,0]=3 2012 B5R1.2 C1COC1=O TS71591 [1,0,0,1,0,0|0,1,0]=3 2013 B5R1.2 CC1CCN1 TS71588 [1,0,0,1,0,0|1,0,1]=4 2014 B5R1.3 CCC1CC1 TS03362 [1,0,0,1,0,0|1,0,1]=4 2015 B5R1.3 CCC1CO1 TS71603 [1,0,0,1,0,0|0,0,2]=4 2016 B5R1.3 CC[C@@H]1CO1 TS71607 [1,0,0,1,0,0|0,0,2]=4 2017 B5R1.3 CC[C@H]1CO1 TS71606 [1,0,0,1,0,0|0,0,2]=4 2018 B5R1.4 CC1C(O1)C TS71602 [1,0,0,1,0,0|0,0,2]=4 2019 B5R1.4 C[C@@H]1C[C@@H]1C TS03365 [1,0,0,1,0,0|1,0,1]=4 2020 B5R1.4 C[C@@H]1C[C@H]1C TS03366 [1,0,0,1,0,0|1,0,1]=4 2021 B5R1.4 C[C@@H]1[C@@H](O1)C TS71599 [1,0,0,1,0,0|0,0,2]=4 2022 B5R1.4 C[C@H]1[C@@H](O1)C TS71605 [1,0,0,1,0,0|0,0,2]=4 2023 B5R1.5 CC1(CC1)N TS04124 [1,0,0,1,0,0|1,0,1]=4 2024 B5R1.5 CC1(CS1)C TS71812 [1,0,0,1,0,0|1,0,1]=4 2025 B5R1.1 C1C=CCN1 TS03158 [1,0,0,1,0,0|1,0,1]=4 2026 B5R1.1 C1C=CCO1 TS47265 [1,0,0,1,0,0|0,1,1]=4 2027 B5R1.1 C1C=CC[SiH2]1 TS71724 [1,0,0,1,0,0|1,0,1]=4 2028 B5R1.1 C1CC=CC1 TS70869 [1,0,0,1,0,0|1,0,1]=4 2029 B5R1.1 C1CCCC1 TS79215 [1,0,0,1,0,0|1,0,1]=4 2030 B5R1.1 C1CCCC1 TS83096 [1,0,0,1,0,0|1,0,1]=4 2031 B5R1.1 C1CCNC1 TS59825 [1,0,0,1,0,0|1,0,1]=4 2032 B5R1.1 C1CCOC1 TS24765 [1,0,0,1,0,0|0,1,1]=4 2033 B5R1.1 C1CCOC1 TS39373 [1,0,0,1,0,0|0,1,1]=4 2034 B5R1.1 C1CCOC1 TS44432 [1,0,0,1,0,0|0,1,1]=4 2035 B5R1.1 C1CCOC1 TS48211 [1,0,0,1,0,0|0,1,1]=4 2036 B5R1.1 C1CCOC1 TS60631 [1,0,0,1,0,0|0,1,1]=4 2037 B5R1.1 C1CCOC1 TS63866 [1,0,0,1,0,0|0,1,1]=4 2038 B5R1.1 C1CCOC1 TS71600 [1,0,0,1,0,0|0,1,1]=4 2039 B5R1.1 C1CCOC1 TS80255 [1,0,0,1,0,0|0,1,1]=4 2040 B5R1.1 C1CCSC1 TS71810 [1,0,0,1,0,0|0,0,1]=3 2041 B5R1.1 C1CNN=C1 TS03359 [1,0,0,1,0,0|2,0,0]=4 2042 B5R1.1 C1COC=C1 TS07898 [1,0,0,1,0,0|0,1,1]=4 2043 B5R1.1 C1COCO1 TS03392 [1,0,0,1,0,0|1,1,0]=4 2044 B7R1.1 C1C=C(CS1)C=O TS04454 [0,1,0,1,0,0|0,0,1]=3 2045 B7R1.1 C1CC=C(C1)CBr TS90531 [0,1,0,1,0,0|2,0,0]=4 2046 B7R1.1 C1CCC(C1)C=O TS55823 [0,1,0,1,0,0|1,0,1]=4 2047 B7R1.1 C1CCN(C1)C=O TS03825 [0,1,0,1,0,0|2,0,0]=4 2048 B7R1.1 C1CCN(C1)N=O TS03853 [0,1,0,1,0,0|2,0,0]=4 2049 B7R1.1 C1COCC1C=O TS85084 [0,1,0,1,0,0|0,1,1]=4 2050 B7R1.1 CC=C1CCCC1 TS03729 [0,1,0,1,0,0|2,0,0]=4 2051 B7R1.1 CCC1=CCCC1 TS03731 [0,1,0,1,0,0|2,0,0]=4 2052 B7R1.1 COC1=NCCC1 TS03819 [0,1,0,1,0,0|2,0,0]=4 2053 B7R1.2 C1C(=O)NC(=O)S1 TS00655 [0,1,0,1,0,0|1,0,1]=4 2054 B7R1.2 C1C(=O)NC(=S)S1 TS36781 [0,1,0,1,0,0|1,0,1]=4 2055 B7R1.2 C1C(CNC1=O)N TS87465 [0,1,0,1,0,0|2,0,0]=4 2056 B7R1.2 C1C(COC1=O)O TS31581 [0,1,0,1,0,0|2,0,0]=4 2057 B7R1.2 C1CC(=O)CC1=O TS46791 [0,1,0,1,0,0|1,0,0]=3 2058 B7R1.2 C1CC(=O)NC1=O TS31467 [0,1,0,1,0,0|2,0,0]=4 2059 B7R1.2 C1CC(=O)OC1=O TS31489 [0,1,0,1,0,0|2,0,0]=4 2060 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [0,1,0,1,0,0|2,0,0]=4 2061 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [0,1,0,1,0,0|2,0,0]=4 2062 B7R1.2 C1[C@@H](COC1=O)N TS37130 [0,1,0,1,0,0|2,0,0]=4 2063 B7R1.2 C1[C@@H](COC1=O)O TS33101 [0,1,0,1,0,0|2,0,0]=4 2064 B7R1.2 C1[C@H](C=CC1=O)O TS03770 [0,1,0,1,0,0|1,0,1]=4 2065 B7R1.2 C1[C@H](CNC1=O)O TS01973 [0,1,0,1,0,0|2,0,0]=4 2066 B7R1.2 C1[C@H](CNC1=O)S TS04686 [0,1,0,1,0,0|2,0,0]=4 2067 B7R1.2 C1[C@H](COC1=O)O TS46585 [0,1,0,1,0,0|2,0,0]=4 2068 B7R1.2 C=C1CCC(=O)O1 TS03758 [0,1,0,1,0,0|2,0,0]=4 2069 B7R1.2 CC1=CC(=O)CC1 TS60019 [0,1,0,1,0,0|1,0,1]=4 2070 B7R1.2 CC1=CC(=O)OC1 TS03763 [0,1,0,1,0,0|1,0,1]=4 2071 B7R1.2 CC1=CCC(=O)O1 TS03764 [0,1,0,1,0,0|2,0,0]=4 2072 B7R1.2 CC1=NNC(=O)C1 TS93059 [0,1,0,1,0,0|2,0,0]=4 2073 B7R1.2 CC1=NOC(=O)C1 TS15601 [0,1,0,1,0,0|2,0,0]=4 2074 B7R1.2 CC1COC(=O)O1 TS08062 [0,1,0,1,0,0|2,0,0]=4 2075 B7R1.2 CC1COC(=O)O1 TS93060 [0,1,0,1,0,0|2,0,0]=4 2076 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [0,1,0,1,0,0|2,0,0]=4 2077 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [0,1,0,1,0,0|2,0,0]=4 2078 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [0,1,0,1,0,0|2,0,0]=4 2079 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [0,1,0,1,0,0|2,0,0]=4 2080 B7R1.2 Cc1cc(sc1)C TS04334 [0,1,0,1,0,0|1,0,1]=4 2081 B7R1.2 Cc1csc(n1)C TS00648 [0,1,0,1,0,0|1,0,1]=4 2082 B7R1.3 B=[O+2]1CCSCC1 TS32312 [0,1,0,1,0,0|2,0,0]=4 2083 B7R1.3 C1CC(=O)CNC1 TS02886 [0,1,0,1,0,0|1,0,0]=3 2084 B7R1.3 C1CC(=O)CNC1 TS59353 [0,1,0,1,0,0|1,0,0]=3 2085 B7R1.3 C1CC(=O)COC1 TS22954 [0,1,0,1,0,0|0,1,0]=3 2086 B7R1.3 C1CC(=O)COC1 TS89862 [0,1,0,1,0,0|0,1,0]=3 2087 B7R1.3 C1CC(=O)CSC1 TS90226 [0,1,0,1,0,0|0,0,0]=2 2088 B7R1.3 C1CC=CC(=O)C1 TS39840 [0,1,0,1,0,0|1,0,1]=4 2089 B7R1.3 C1CCC(=CC1)Cl TS04654 [0,1,0,1,0,0|2,0,0]=4 2090 B7R1.3 C1CCC(=O)CC1 TS31441 [0,1,0,1,0,0|1,0,0]=3 2091 B7R1.3 C1CCNC(=N)C1 TS05957 [0,1,0,1,0,0|2,0,0]=4 2092 B7R1.3 C1CCNC(=O)C1 TS01420 [0,1,0,1,0,0|1,0,0]=3 2093 B7R1.3 C1CCOC(=O)C1 TS01892 [0,1,0,1,0,0|1,0,0]=3 2094 B7R1.3 C1CNC(=O)CN1 TS59349 [0,1,0,1,0,0|1,0,0]=3 2095 B7R1.3 C1CNC(=O)NC1 TS59429 [0,1,0,1,0,0|2,0,0]=4 2096 B7R1.3 C1CNCCC1=O TS02248 [0,1,0,1,0,0|1,0,0]=3 2097 B7R1.3 C1CNCCC1=O TS71284 [0,1,0,1,0,0|1,0,0]=3 2098 B7R1.3 C1COC(=O)C=C1 TS03767 [0,1,0,1,0,0|1,0,1]=4 2099 B7R1.3 C1COC(=O)CO1 TS31576 [0,1,0,1,0,0|0,1,0]=3 2100 B7R1.3 C1COC(=O)OC1 TS31584 [0,1,0,1,0,0|2,0,0]=4 2101 B7R1.3 C1COCC(=O)N1 TS01573 [0,1,0,1,0,0|0,1,0]=3 2102 B7R1.3 C1COCCC1=O TS59431 [0,1,0,1,0,0|0,1,0]=3 2103 B7R1.3 C1CSCCC1=O TS59432 [0,1,0,1,0,0|0,0,0]=2 2104 B7R1.3 C1CSCCC1N TS59442 [0,1,0,1,0,0|1,0,1]=4 2105 B7R1.3 C1CSCCC1O TS59441 [0,1,0,1,0,0|0,0,2]=4 2106 B7R1.4 C1C(C(=O)NO1)N TS03929 [0,1,0,1,0,0|1,1,0]=4 2107 B7R1.4 C1CC(=O)C(=C1)Br TS11349 [0,1,0,1,0,0|1,0,1]=4 2108 B7R1.4 C1CC(C(=O)C1)Br TS55161 [0,1,0,1,0,0|1,0,0]=3 2109 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [0,1,0,1,0,0|1,0,0]=3 2110 B7R1.4 C1CNC(=O)C1N TS94857 [0,1,0,1,0,0|2,0,0]=4 2111 B7R1.4 C1CNC(=O)C1O TS02803 [0,1,0,1,0,0|2,0,0]=4 2112 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [0,1,0,1,0,0|2,0,0]=4 2113 B7R1.4 C1COC(=O)C1Br TS65029 [0,1,0,1,0,0|2,0,0]=4 2114 B7R1.4 C1COC(=O)C1O TS70622 [0,1,0,1,0,0|2,0,0]=4 2115 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [0,1,0,1,0,0|2,0,0]=4 2116 B7R1.4 C1COC(=O)[C@H]1N TS37131 [0,1,0,1,0,0|2,0,0]=4 2117 B7R1.4 C1CSC(=O)C1N TS41321 [0,1,0,1,0,0|2,0,0]=4 2118 B7R1.4 C1CSC(=O)[C@H]1N TS41320 [0,1,0,1,0,0|2,0,0]=4 2119 B7R1.4 C1[C@@H](C(=O)NO1)N TS31587 [0,1,0,1,0,0|1,1,0]=4 2120 B7R1.4 C1[C@H](C(=O)NO1)N TS01419 [0,1,0,1,0,0|1,1,0]=4 2121 B7R1.4 CC1=C(CCC1)C TS03727 [0,1,0,1,0,0|2,0,0]=4 2122 B7R1.4 CC1=CCCC1=O TS31367 [0,1,0,1,0,0|1,0,1]=4 2123 B7R1.4 CC1C(=O)CCO1 TS31501 [0,1,0,1,0,0|0,1,0]=3 2124 B7R1.4 CC1C(=O)CCS1 TS04612 [0,1,0,1,0,0|0,0,0]=2 2125 B7R1.4 CC1CCC=C1C TS31386 [0,1,0,1,0,0|2,0,0]=4 2126 B7R1.4 CC1CCNC1=O TS70662 [0,1,0,1,0,0|2,0,0]=4 2127 B7R1.4 CC1CCOC1=O TS59696 [0,1,0,1,0,0|2,0,0]=4 2128 B7R1.4 CN1CCCC1=O TS46986 [0,1,0,1,0,0|1,0,0]=3 2129 B7R1.8 C1CC(=O)C1CO TS92430 [0,1,0,1,0,0|2,0,0]=4 2130 B7R1.10 C1C(CC1=O)C#N TS86059 [0,1,0,1,0,0|1,0,1]=4 2131 B7R1.10 C1C(CC1=O)CBr TS89769 [0,1,0,1,0,0|1,0,0]=3 2132 B7R1.10 C1C(CC1=O)CCl TS90066 [0,1,0,1,0,0|1,0,0]=3 2133 B7R1.10 C1C(CC1=O)CN TS88367 [0,1,0,1,0,0|1,0,0]=3 2134 B7R1.10 C1C(CC1=O)CO TS87456 [0,1,0,1,0,0|1,0,0]=3 2135 B7R1.22 C1CC1C(=O)CBr TS55070 [0,1,0,1,0,0|1,0,0]=3 2136 B7R1.22 C1CC1C(=O)NN TS55829 [0,1,0,1,0,0|2,0,0]=4 2137 B7R1.22 CC(=NO)C1CC1 TS03823 [0,1,0,1,0,0|1,0,1]=4 2138 B7R1.22 COC(=O)C1CC1 TS77154 [0,1,0,1,0,0|1,0,0]=3 2139 B7R1.22 COC(=O)C1CN1 TS31541 [0,1,0,1,0,0|1,0,0]=3 2140 B7R1.22 COC(=O)[C@@H]1CN1 TS31535 [0,1,0,1,0,0|1,0,0]=3 2141 B7R1.22 COC(=O)[C@@H]1CO1 TS31582 [0,1,0,1,0,0|0,1,0]=3 2142 B7R1.22 COC(=O)[C@H]1CN1 TS31537 [0,1,0,1,0,0|1,0,0]=3 2143 B7R1.22 COC(=O)[C@H]1CO1 TS46617 [0,1,0,1,0,0|0,1,0]=3 2144 B7R1.25 CC1(COC1)C=O TS91628 [0,1,0,1,0,0|0,1,1]=4 2145 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O TS91377 [0,1,0,1,0,0|2,0,0]=4 2146 B7R1.12 C1[C@@H]([C@H]1F)C(=O)Cl TS04937 [0,1,0,1,0,0|2,0,0]=4 2147 B7R1.16 C1C(=O)CC1(F)F TS90172 [0,1,0,1,0,0|2,0,0]=4 2148 B7R1.20 C1CC1CC(=O)O TS55836 [0,1,0,1,0,0|2,0,0]=4 2149 B7R1.18 C1C(CN1)C(=O)N TS86704 [0,1,0,1,0,0|2,0,0]=4 2150 B7R1.18 C1C(CN1)C(=O)N TS88630 [0,1,0,1,0,0|2,0,0]=4 2151 B7R1.18 C1C(CN1)C(=O)O TS06212 [0,1,0,1,0,0|2,0,0]=4 2152 B7R1.18 C1C(CN1)C(=O)O TS55737 [0,1,0,1,0,0|2,0,0]=4 2153 B7R1.18 C1C(CO1)C(=O)O TS87729 [0,1,0,1,0,0|1,1,0]=4 2154 B7R1.18 C1CC(C1)C(=O)Cl TS22945 [0,1,0,1,0,0|2,0,0]=4 2155 B7R1.18 C1CC(C1)C(=O)N TS03818 [0,1,0,1,0,0|2,0,0]=4 2156 B7R1.18 C1CC(C1)C(=O)O TS22946 [0,1,0,1,0,0|2,0,0]=4 2157 B7R1.18 C1CC(C1)C(=O)[O-] TS39115 [0,1,0,1,0,0|2,0,0]=4 2158 B7R1.18 C1CNC1C(=O)N TS03852 [0,1,0,1,0,0|2,0,0]=4 2159 B7R1.18 C1CNC1C(=O)O TS31540 [0,1,0,1,0,0|2,0,0]=4 2160 B7R1.18 C1CNC1C(=O)O TS86021 [0,1,0,1,0,0|2,0,0]=4 2161 B7R1.18 C1CN[C@@H]1C(=O)O TS08096 [0,1,0,1,0,0|2,0,0]=4 2162 B7R1.18 C1CN[C@@H]1C(=O)O TS37132 [0,1,0,1,0,0|2,0,0]=4 2163 B7R1.18 C1CN[C@H]1C(=O)O TS01418 [0,1,0,1,0,0|2,0,0]=4 2164 B7R1.18 C1COC1C(=O)O TS32718 [0,1,0,1,0,0|1,1,0]=4 2165 B7R1.19 C1CC1(C(=O)O)N TS46850 [0,1,0,1,0,0|2,0,0]=4 2166 B7R1.19 C1CC1(C(=O)O)N TS94651 [0,1,0,1,0,0|2,0,0]=4 2167 B7R1.19 C1CC1(C(=O)O)O TS46965 [0,1,0,1,0,0|2,0,0]=4 2168 B7R1.19 CC(=O)C1(CC1)C TS31439 [0,1,0,1,0,0|1,0,0]=3 2169 B7R1.19 CC1(CC1)C(=O)O TS03847 [0,1,0,1,0,0|2,0,0]=4 2170 B7R1.14 C1CCS(=O)(=O)C1 TS00274 [0,1,0,1,0,0|2,0,0]=4