0 B5R0.1 C#CCC(=O)O TS03477 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C(#N)NC(=O)N TS31749 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C(=CCl)C(=O)O TS31733 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 C(=CCl)C(=O)O TS59459 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 C(=CI)C(=O)O TS53940 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 C(=O)NC(=O)N TS71797 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 C(C#N)C(=O)N TS00078 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 C(C#N)C(=O)O TS71730 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C(CBr)C(=O)N TS10109 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C(CBr)C(=O)O TS09493 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 C(CCl)C(=O)Cl TS00146 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 C(CCl)C(=O)N TS04118 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 C(CCl)C(=O)O TS04159 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 C(CI)C(=O)O TS18918 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 C(CN)C(=O)N TS36032 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C(CN)C(=O)O TS02667 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 C(CO)C(=O)O TS16373 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 C(CS)C(=O)O TS04091 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 C(OC(=O)Cl)Cl TS36381 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 C(SC(=O)N)Cl TS36084 [0,0,0,0,0,0|2,1,1]=4 20 B5R0.1 C=CCC(=O)O TS03525 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.1 C=CCP(=O)O TS31725 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 C=CC[SiH](Cl)Cl TS06560 [0,0,0,0,0,0|3,1,0]=4 23 B5R0.1 C=CNC(=O)N TS71741 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 C=COC(=O)Cl TS31731 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.1 C=COC(=O)N TS03553 [0,0,0,0,0,0|1,0,0]=1 26 B5R0.1 CC#CC(=C)C TS71668 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.1 CC#CC(=O)O TS55183 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.1 CC(=C)CC#N TS03447 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 CC(=C)CCO TS71766 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 CC(=CC#N)N TS65880 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 CC(=CC=C)C TS03470 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.1 CC(=CC=O)C TS03497 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.1 CC(=CCBr)C TS00408 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.1 CC(=CCCl)C TS00047 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.1 CC(=CCN)C TS04881 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.1 CC(=CCN)C TS63606 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.1 CC(=CCN)C TS70656 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 CC(=CCO)C TS71763 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 CC(=CCO)Cl TS31734 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.1 CC(=CCS)C TS03985 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.1 CC(=C[Mg]Br)C TS42096 [0,0,0,0,0,0|4,0,0]=4 42 B5R0.1 CC(=C[SiH2]Cl)C TS04849 [0,0,0,0,0,0|3,1,0]=4 43 B5R0.1 CC(=O)C=NO TS03554 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.1 CC(=O)CC#N TS04063 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.1 CC(=O)CCO TS39752 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.1 CC(=O)CCS TS31678 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.1 CC(=O)COC TS03573 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 CC(=O)CSC TS31685 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.1 CC(=O)NCO TS08902 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.1 CC(=O)NSC TS31708 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.1 CC(=O)OC=C TS03528 [0,0,0,0,0,0|0,0,0]=0 52 B5R0.1 CC(=O)OC=O TS71794 [0,0,0,0,0,0|1,0,0]=1 53 B5R0.1 CC(=O)OCBr TS16534 [0,0,0,0,0,0|1,0,1]=2 54 B5R0.1 CC(=O)OCCl TS55809 [0,0,0,0,0,0|1,0,1]=2 55 B5R0.1 CC(=O)O[Hg]C TS30965 [0,0,0,0,0,0|1,0,1]=2 56 B5R0.1 CC(=S)NOC TS31706 [0,0,0,0,0,0|2,1,1]=4 57 B5R0.1 CC(C)CC=O TS71746 [0,0,0,0,0,0|3,0,1]=4 58 B5R0.1 CC(C)OC=C TS03534 [0,0,0,0,0,0|1,0,1]=2 59 B5R0.1 CC(C)OC=O TS03580 [0,0,0,0,0,0|2,0,1]=3 60 B5R0.1 CC(C)OCCl TS04160 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.1 CC(C)ON=O TS71823 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.1 CC(CC=C)O TS71743 [0,0,0,0,0,0|1,0,2]=3 63 B5R0.1 CC(CC=O)O TS03574 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.1 CC=CC(=O)C TS03499 [0,0,0,0,0,0|1,0,1]=2 65 B5R0.1 CC=CC(=O)Cl TS04051 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.1 CC=CC(=O)N TS03508 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.1 CC=CC(=O)O TS03526 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.1 CC=CC(=O)[O-] TS05036 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.1 CC=CC(C)C TS71719 [0,0,0,0,0,0|2,0,2]=4 70 B5R0.1 CC=CC(C)O TS71747 [0,0,0,0,0,0|1,0,3]=4 71 B5R0.1 CCC=C(C)C TS71718 [0,0,0,0,0,0|2,0,2]=4 72 B5R0.1 CCCC(=C)C TS71722 [0,0,0,0,0,0|2,0,2]=4 73 B5R0.1 CCCC(=O)Br TS40964 [0,0,0,0,0,0|2,0,2]=4 74 B5R0.1 CCCC(=O)C TS71754 [0,0,0,0,0,0|1,0,2]=3 75 B5R0.1 CCCC(=O)Cl TS16539 [0,0,0,0,0,0|2,0,2]=4 76 B5R0.1 CCCC(=O)N TS03561 [0,0,0,0,0,0|2,0,2]=4 77 B5R0.1 CCCC(=O)O TS03572 [0,0,0,0,0,0|2,0,2]=4 78 B5R0.1 CCCC(=O)O TS63934 [0,0,0,0,0,0|2,0,2]=4 79 B5R0.1 CCCC(=O)[O-] TS04184 [0,0,0,0,0,0|2,0,2]=4 80 B5R0.1 CCCC(=O)[O-] TS04232 [0,0,0,0,0,0|2,0,2]=4 81 B5R0.1 CCCC(=O)[O-] TS44539 [0,0,0,0,0,0|2,0,2]=4 82 B5R0.1 CCNC(=O)C TS03563 [0,0,0,0,0,0|1,0,2]=3 83 B5R0.1 CCNC(=O)N TS03591 [0,0,0,0,0,0|2,0,2]=4 84 B5R0.1 CCOC(=C)C TS71753 [0,0,0,0,0,0|1,0,2]=3 85 B5R0.1 CCOC(=O)C TS03585 [0,0,0,0,0,0|0,0,2]=2 86 B5R0.1 CCOC(=O)C TS03625 [0,0,0,0,0,0|0,0,2]=2 87 B5R0.1 CCOC(=O)C TS71827 [0,0,0,0,0,0|0,0,2]=2 88 B5R0.1 CCOC(=O)Cl TS56143 [0,0,0,0,0,0|1,0,2]=3 89 B5R0.1 CCOC(=O)N TS59479 [0,0,0,0,0,0|1,0,2]=3 90 B5R0.1 CCOC(=S)C TS31684 [0,0,0,0,0,0|0,1,2]=3 91 B5R0.1 CCOC(=S)Cl TS36034 [0,0,0,0,0,0|1,1,2]=4 92 B5R0.1 CCOC(C)C TS03595 [0,0,0,0,0,0|1,0,3]=4 93 B5R0.1 CCOC(C)Cl TS04164 [0,0,0,0,0,0|1,0,3]=4 94 B5R0.1 CCO[SiH](C)C TS04048 [0,0,0,0,0,0|1,1,2]=4 95 B5R0.1 CCSC(=S)C TS32440 [0,0,0,0,0,0|0,2,2]=4 96 B5R0.1 CN(C)CC=C TS56352 [0,0,0,0,0,0|3,0,0]=3 97 B5R0.1 CNCC(=O)N TS36031 [0,0,0,0,0,0|3,0,1]=4 98 B5R0.1 CNCC(=O)O TS34582 [0,0,0,0,0,0|3,0,1]=4 99 B5R0.1 CNCC(=O)O TS36080 [0,0,0,0,0,0|3,0,1]=4 100 B5R0.1 CNCC(=O)[O-] TS04231 [0,0,0,0,0,0|3,0,1]=4 101 B5R0.1 COCC(=O)O TS03620 [0,0,0,0,0,0|3,0,1]=4 102 B5R0.1 CSCC(=O)N TS93570 [0,0,0,0,0,0|3,0,1]=4 103 B5R0.1 CSCS(=O)C TS05065 [0,0,0,0,0,0|3,0,1]=4 104 B5R0.1 C[C@H](CC=C)O TS03535 [0,0,0,0,0,0|1,0,2]=3 105 B5R0.1 C[SiH](C)CC=C TS03888 [0,0,0,0,0,0|2,1,0]=3 106 B5R0.1 O=[V](=O)O[Ce]=O TS28723 [0,0,0,0,0,0|4,0,0]=4 107 B4R0.1 BC(=O)OC TS05627 [1,0,0,0,0,0|1,0,1]=3 108 B4R0.1 C#CC(=O)N TS00217 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.1 C#CC(=O)O TS59821 [1,0,0,0,0,0|1,0,2]=4 110 B4R0.1 C(=C(Br)Br)Br TS68889 [1,0,0,0,0,0|3,0,0]=4 111 B4R0.1 C(=C(Cl)Cl)Cl TS36633 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.1 C(=C(F)Cl)Cl TS32135 [1,0,0,0,0,0|3,0,0]=4 113 B4R0.1 C(=C(F)Cl)F TS31457 [1,0,0,0,0,0|3,0,0]=4 114 B4R0.1 C(=C(F)F)Br TS06811 [1,0,0,0,0,0|3,0,0]=4 115 B4R0.1 C(=C(F)F)Cl TS31458 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.1 C(=C(F)F)F TS03455 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.1 C(=O)(N)NN TS00261 [1,0,0,0,0,0|3,0,0]=4 118 B4R0.1 C(=O)(N)NN TS71629 [1,0,0,0,0,0|3,0,0]=4 119 B4R0.1 C(=O)(N)NO TS71637 [1,0,0,0,0,0|3,0,0]=4 120 B4R0.1 C(=O)(SCl)Cl TS05628 [1,0,0,0,0,0|2,1,0]=4 121 B4R0.1 C(=O)C(=O)O TS39873 [1,0,0,0,0,0|2,0,0]=3 122 B4R0.1 C(C(=O)Br)Br TS65193 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.1 C(C(=O)Cl)Br TS41828 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.1 C(C(=O)Cl)Cl TS31992 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.1 C(C(=O)Cl)F TS64901 [1,0,0,0,0,0|2,0,1]=4 126 B4R0.1 C(C(=O)Cl)I TS38699 [1,0,0,0,0,0|2,0,1]=4 127 B4R0.1 C(C(=O)F)Cl TS03738 [1,0,0,0,0,0|2,0,1]=4 128 B4R0.1 C(C(=O)F)F TS71660 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.1 C(C(=O)N)Br TS55147 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.1 C(C(=O)N)Cl TS71884 [1,0,0,0,0,0|2,0,1]=4 131 B4R0.1 C(C(=O)N)F TS03417 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.1 C(C(=O)N)I TS39674 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.1 C(C(=O)N)N TS36806 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.1 C(C(=O)N)N TS39640 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.1 C(C(=O)N)O TS71626 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.1 C(C(=O)N)S TS03643 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.1 C(C(=O)O)Br TS06335 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 C(C(=O)O)Br TS37324 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.1 C(C(=O)O)Br TS37325 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.1 C(C(=O)O)Br TS37462 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.1 C(C(=O)O)Cl TS03683 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.1 C(C(=O)O)F TS03424 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.1 C(C(=O)O)I TS48817 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.1 C(C(=O)O)N TS31897 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.1 C(C(=O)O)N TS62535 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.1 C(C(=O)O)O TS71635 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.1 C(C(=O)O)S TS03656 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.1 C(C(=O)[O-])Cl TS04648 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.1 C(C(=O)[O-])F TS03691 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.1 C(C(=O)[O-])F TS15406 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.1 C(C(=O)[O-])F TS31484 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 C(C(=O)[O-])I TS01955 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.1 C(C(=O)[O-])I TS17396 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 C(C(=O)[O-])N TS03744 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.1 C(C(=O)[O-])N TS05962 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.1 C(C(=O)[O-])N TS13250 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.1 C(C(=O)[O-])N TS21558 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.1 C(C(=O)[O-])N TS38376 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.1 C(C(=O)[O-])N TS50709 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.1 C(C(=O)[O-])N TS93263 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.1 C(C(=O)[O-])N TS93300 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.1 C(C(=O)[O-])O TS03750 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.1 C(C(=O)[O-])S TS31805 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.1 C(C(=O)[O-])S TS32044 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.1 C(C(=O)[O-])S TS36493 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.1 C=C(C=O)Br TS36903 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.1 C=CC(=C)Cl TS71819 [1,0,0,0,0,0|1,0,1]=3 168 B4R0.1 C=CC(=O)Cl TS33217 [1,0,0,0,0,0|1,0,0]=2 169 B4R0.1 C=CC(=O)N TS45022 [1,0,0,0,0,0|1,0,0]=2 170 B4R0.1 C=CC(=O)O TS71594 [1,0,0,0,0,0|1,0,0]=2 171 B4R0.1 C=CC(=O)[O-] TS03423 [1,0,0,0,0,0|1,0,0]=2 172 B4R0.1 C=CC(=O)[O-] TS10783 [1,0,0,0,0,0|1,0,0]=2 173 B4R0.1 C=CC(=O)[O-] TS14324 [1,0,0,0,0,0|1,0,0]=2 174 B4R0.1 C=CC(=O)[O-] TS38896 [1,0,0,0,0,0|1,0,0]=2 175 B4R0.1 C=CC(=O)[O-] TS43153 [1,0,0,0,0,0|1,0,0]=2 176 B4R0.1 C=CC(=O)[O-] TS43339 [1,0,0,0,0,0|1,0,0]=2 177 B4R0.1 C=CC(=O)[O-] TS57334 [1,0,0,0,0,0|1,0,0]=2 178 B4R0.1 C=CC(=O)[O-] TS71822 [1,0,0,0,0,0|1,0,0]=2 179 B4R0.1 C=CC(=O)[O-] TS80195 [1,0,0,0,0,0|1,0,0]=2 180 B4R0.1 C=C[N+](=O)[O-] TS03377 [1,0,0,0,0,0|2,0,0]=3 181 B4R0.1 CC(=C)C=C TS00101 [1,0,0,0,0,0|1,0,0]=2 182 B4R0.1 CC(=C)C=O TS71445 [1,0,0,0,0,0|2,0,0]=3 183 B4R0.1 CC(=C)CBr TS65907 [1,0,0,0,0,0|2,0,1]=4 184 B4R0.1 CC(=C)CCl TS00138 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.1 CC(=C)CN TS02169 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.1 CC(=C)CN TS04121 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.1 CC(=C)CO TS00103 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.1 CC(=C)CS TS71814 [1,0,0,0,0,0|2,0,1]=4 189 B4R0.1 CC(=C)OC TS00091 [1,0,0,0,0,0|1,0,1]=3 190 B4R0.1 CC(=C)[Mg]Br TS07128 [1,0,0,0,0,0|3,0,0]=4 191 B4R0.1 CC(=C=O)C TS16967 [1,0,0,0,0,0|2,0,1]=4 192 B4R0.1 CC(=CBr)Br TS37830 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.1 CC(=CBr)C TS36907 [1,0,0,0,0,0|2,0,0]=3 194 B4R0.1 CC(=CCl)Cl TS31870 [1,0,0,0,0,0|2,0,0]=3 195 B4R0.1 CC(=N)OC TS31813 [1,0,0,0,0,0|1,0,1]=3 196 B4R0.1 CC(=NN)C TS71612 [1,0,0,0,0,0|3,0,0]=4 197 B4R0.1 CC(=NO)C TS03378 [1,0,0,0,0,0|3,0,0]=4 198 B4R0.1 CC(=O)C#C TS00427 [1,0,0,0,0,0|0,0,2]=3 199 B4R0.1 CC(=O)C=C TS71414 [1,0,0,0,0,0|0,0,0]=1 200 B4R0.1 CC(=O)C=O TS71593 [1,0,0,0,0,0|1,0,0]=2 201 B4R0.1 CC(=O)CBr TS64992 [1,0,0,0,0,0|1,0,1]=3 202 B4R0.1 CC(=O)CCl TS71869 [1,0,0,0,0,0|1,0,1]=3 203 B4R0.1 CC(=O)CF TS71639 [1,0,0,0,0,0|1,0,1]=3 204 B4R0.1 CC(=O)CO TS39607 [1,0,0,0,0,0|1,0,1]=3 205 B4R0.1 CC(=O)NBr TS37149 [1,0,0,0,0,0|2,0,0]=3 206 B4R0.1 CC(=O)NC TS16313 [1,0,0,0,0,0|1,0,1]=3 207 B4R0.1 CC(=O)NN TS01339 [1,0,0,0,0,0|2,0,0]=3 208 B4R0.1 CC(=O)OC TS03390 [1,0,0,0,0,0|0,0,1]=2 209 B4R0.1 CC(=O)OO TS71636 [1,0,0,0,0,0|1,0,0]=2 210 B4R0.1 CC(=O)SC TS71852 [1,0,0,0,0,0|0,1,1]=3 211 B4R0.1 CC(=[N+]=[N-])C TS03273 [1,0,0,0,0,0|3,0,0]=4 212 B4R0.1 CC(C)C=O TS00105 [1,0,0,0,0,0|2,0,1]=4 213 B4R0.1 CC(C)ON TS93804 [1,0,0,0,0,0|2,0,1]=4 214 B4R0.1 CC(C=C)Br TS36909 [1,0,0,0,0,0|1,0,1]=3 215 B4R0.1 CC(C=C)Cl TS03635 [1,0,0,0,0,0|1,0,1]=3 216 B4R0.1 CC(C=C)O TS71610 [1,0,0,0,0,0|0,0,2]=3 217 B4R0.1 CC=C(Br)Br TS37832 [1,0,0,0,0,0|2,0,1]=4 218 B4R0.1 CC=C(C)Br TS36906 [1,0,0,0,0,0|1,0,1]=3 219 B4R0.1 CC=C(C)C TS03364 [1,0,0,0,0,0|1,0,1]=3 220 B4R0.1 CC=C(Cl)Br TS41551 [1,0,0,0,0,0|2,0,1]=4 221 B4R0.1 CCC(=C)C TS03363 [1,0,0,0,0,0|1,0,2]=4 222 B4R0.1 CCC(=O)Br TS06155 [1,0,0,0,0,0|1,0,2]=4 223 B4R0.1 CCC(=O)C TS71608 [1,0,0,0,0,0|0,0,2]=3 224 B4R0.1 CCC(=O)Cl TS71868 [1,0,0,0,0,0|1,0,2]=4 225 B4R0.1 CCC(=O)F TS71638 [1,0,0,0,0,0|1,0,2]=4 226 B4R0.1 CCC(=O)N TS59820 [1,0,0,0,0,0|1,0,2]=4 227 B4R0.1 CCC(=O)O TS03391 [1,0,0,0,0,0|1,0,2]=4 228 B4R0.1 CCC(=O)[O-] TS03709 [1,0,0,0,0,0|1,0,2]=4 229 B4R0.1 CCC(=O)[O-] TS04307 [1,0,0,0,0,0|1,0,2]=4 230 B4R0.1 CCC(=O)[O-] TS21191 [1,0,0,0,0,0|1,0,2]=4 231 B4R0.1 CCC(=O)[O-] TS28396 [1,0,0,0,0,0|1,0,2]=4 232 B4R0.1 CCC(=O)[O-] TS29272 [1,0,0,0,0,0|1,0,2]=4 233 B4R0.1 CCC(=O)[O-] TS38909 [1,0,0,0,0,0|1,0,2]=4 234 B4R0.1 CCC(=O)[O-] TS48904 [1,0,0,0,0,0|1,0,2]=4 235 B4R0.1 CCC(=O)[O-] TS53540 [1,0,0,0,0,0|1,0,2]=4 236 B4R0.1 CN(C)C=O TS01574 [1,0,0,0,0,0|3,0,0]=4 237 B4R0.1 CN(C)C=O TS03397 [1,0,0,0,0,0|3,0,0]=4 238 B4R0.1 CN(C)C=O TS31811 [1,0,0,0,0,0|3,0,0]=4 239 B4R0.1 CN(C)C=O TS41262 [1,0,0,0,0,0|3,0,0]=4 240 B4R0.1 CNC(=O)Cl TS71883 [1,0,0,0,0,0|2,0,1]=4 241 B4R0.1 CNC(=O)N TS03394 [1,0,0,0,0,0|2,0,1]=4 242 B4R0.1 COC(=N)N TS01617 [1,0,0,0,0,0|2,0,1]=4 243 B4R0.1 COC(=N)N TS03396 [1,0,0,0,0,0|2,0,1]=4 244 B4R0.1 COC(=N)N TS13125 [1,0,0,0,0,0|2,0,1]=4 245 B4R0.1 COC(=N)N TS31863 [1,0,0,0,0,0|2,0,1]=4 246 B4R0.1 COC(=O)Cl TS03684 [1,0,0,0,0,0|1,0,1]=3 247 B4R0.1 COC(=O)N TS71628 [1,0,0,0,0,0|1,0,1]=3 248 B4R0.1 COC(=O)[O-] TS36560 [1,0,0,0,0,0|1,0,1]=3 249 B4R0.1 CO[N+](=O)[O-] TS03416 [1,0,0,0,0,0|2,0,1]=4 250 B4R0.1 CO[SiH](C)C TS03629 [1,0,0,0,0,0|1,1,1]=4 251 B4R0.1 CSC(=O)Cl TS31865 [1,0,0,0,0,0|1,1,1]=4 252 B4R0.1 C[N+](=CBr)C TS22154 [1,0,0,0,0,0|3,0,0]=4 253 B4R0.1 C[N+](=CCl)C TS05301 [1,0,0,0,0,0|3,0,0]=4 254 B4R0.1 [2H]C(=O)O[2H] TS65557 [1,0,0,0,0,0|2,0,0]=3 255 B4R0.2 C(C=O)C=O TS71592 [1,0,0,0,0,0|2,0,0]=3 256 B4R0.2 C(CCl)C=O TS71867 [1,0,0,0,0,0|2,0,1]=4 257 B4R0.2 C=CCC#C TS66005 [1,0,0,0,0,0|1,0,2]=4 258 B4R0.2 C=CCC#N TS70615 [1,0,0,0,0,0|2,0,1]=4 259 B4R0.2 C=CCC=C TS70907 [1,0,0,0,0,0|1,0,1]=3 260 B4R0.2 C=CCCBr TS03033 [1,0,0,0,0,0|2,0,1]=4 261 B4R0.2 C=CCCCl TS03638 [1,0,0,0,0,0|2,0,1]=4 262 B4R0.2 C=CCCN TS01596 [1,0,0,0,0,0|2,0,1]=4 263 B4R0.2 C=CCCN TS04120 [1,0,0,0,0,0|2,0,1]=4 264 B4R0.2 C=CCCO TS71598 [1,0,0,0,0,0|1,0,2]=4 265 B4R0.2 C=CCNN TS55729 [1,0,0,0,0,0|3,0,0]=4 266 B4R0.2 C=CCON TS31812 [1,0,0,0,0,0|3,0,0]=4 267 B4R0.2 C=CC[Mg]Br TS07129 [1,0,0,0,0,0|3,0,0]=4 268 B4R0.2 C=CC[Pd]Cl TS79784 [1,0,0,0,0,0|3,0,0]=4 269 B4R0.2 C=CNC=O TS03372 [1,0,0,0,0,0|1,0,0]=2 270 B4R0.2 C=COC=O TS71590 [1,0,0,0,0,0|0,0,0]=1 271 B4R0.2 CC=CC#C TS66004 [1,0,0,0,0,0|1,0,2]=4 272 B4R0.2 CC=CC=C TS06116 [1,0,0,0,0,0|1,0,0]=2 273 B4R0.2 CC=CC=C TS71007 [1,0,0,0,0,0|1,0,0]=2 274 B4R0.2 CC=CC=O TS16977 [1,0,0,0,0,0|1,0,1]=3 275 B4R0.2 CC=CCCl TS03634 [1,0,0,0,0,0|2,0,1]=4 276 B4R0.2 CC=CCN TS01395 [1,0,0,0,0,0|2,0,1]=4 277 B4R0.2 CC=CCO TS71604 [1,0,0,0,0,0|2,0,1]=4 278 B4R0.2 CC=COC TS71611 [1,0,0,0,0,0|2,0,1]=4 279 B4R0.2 CC=C[Mg]Br TS40351 [1,0,0,0,0,0|3,0,0]=4 280 B4R0.2 CCC=C=C TS70908 [1,0,0,0,0,0|1,0,2]=4 281 B4R0.2 CCC=CBr TS33033 [1,0,0,0,0,0|2,0,1]=4 282 B4R0.2 CCC=CC TS03361 [1,0,0,0,0,0|1,0,2]=4 283 B4R0.2 CCC=CCl TS03636 [1,0,0,0,0,0|2,0,1]=4 284 B4R0.2 CCC=CCl TS03637 [1,0,0,0,0,0|2,0,1]=4 285 B4R0.2 CCCC=O TS71609 [1,0,0,0,0,0|1,0,2]=4 286 B4R0.2 CCNC=O TS03379 [1,0,0,0,0,0|1,0,2]=4 287 B4R0.2 CCOC#C TS71444 [1,0,0,0,0,0|0,0,3]=4 288 B4R0.2 CCOC=C TS71601 [1,0,0,0,0,0|0,0,1]=2 289 B4R0.2 CCOC=O TS03393 [1,0,0,0,0,0|0,0,2]=3 290 B4R0.2 CCOCC TS03401 [1,0,0,0,0,0|0,0,3]=4 291 B4R0.2 CCOCC TS42371 [1,0,0,0,0,0|0,0,3]=4 292 B4R0.2 CCOCC TS43884 [1,0,0,0,0,0|0,0,3]=4 293 B4R0.2 CCOCC TS68115 [1,0,0,0,0,0|0,0,3]=4 294 B4R0.2 CCOCC TS79120 [1,0,0,0,0,0|0,0,3]=4 295 B4R0.2 CCOCCl TS39832 [1,0,0,0,0,0|1,0,2]=4 296 B4R0.2 CCON=O TS71627 [1,0,0,0,0,0|1,0,2]=4 297 B4R0.2 CCSC=C TS71813 [1,0,0,0,0,0|0,1,1]=3 298 B4R0.2 COCC=C TS94286 [1,0,0,0,0,0|2,0,0]=3 299 B4R0.2 COCC=O TS03388 [1,0,0,0,0,0|2,0,1]=4 300 B4R0.2 CSCC=C TS71811 [1,0,0,0,0,0|2,0,0]=3 301 B4R0.2 O=[Co]O[Co]=O TS59757 [1,0,0,0,0,0|3,0,0]=4 302 B4R0.2 O=[Fe]O[Fe]=O TS25116 [1,0,0,0,0,0|3,0,0]=4 303 B4R0.2 O=[Fe]O[Fe]=O TS84935 [1,0,0,0,0,0|3,0,0]=4 304 B4R0.2 O=[Y]O[Y]=O TS64666 [1,0,0,0,0,0|3,0,0]=4 305 B6R0.1 C(C(=O)NCO)Cl TS64943 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.1 C(C(=O)OCO)N TS05233 [0,1,0,0,0,0|1,0,1]=3 307 B6R0.1 C(CN)C(=O)CN TS13627 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.1 C(CO)C(=O)CN TS37313 [0,1,0,0,0,0|2,0,1]=4 309 B6R0.1 C=CC(=O)OC=C TS03768 [0,1,0,0,0,0|0,0,1]=2 310 B6R0.1 C=COC(=O)CBr TS42840 [0,1,0,0,0,0|0,0,0]=1 311 B6R0.1 C=COC(=O)CCl TS32444 [0,1,0,0,0,0|0,0,0]=1 312 B6R0.1 C=COC(=O)CI TS44096 [0,1,0,0,0,0|0,0,0]=1 313 B6R0.1 CC#CC(=O)OC TS03761 [0,1,0,0,0,0|1,0,2]=4 314 B6R0.1 CC(=CCCl)C=O TS04765 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.1 CC(CC=C)C=C TS31383 [0,1,0,0,0,0|2,0,1]=4 316 B6R0.1 CC=C(C)CC=C TS03736 [0,1,0,0,0,0|2,0,0]=3 317 B6R0.1 CC=CC(=CC)C TS31385 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.1 CC=CC(=O)OC TS56315 [0,1,0,0,0,0|1,0,1]=3 319 B6R0.1 CCC(=O)C=CC TS31436 [0,1,0,0,0,0|1,0,1]=3 320 B6R0.1 CCC(=O)CC#N TS31393 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.1 CCC(=O)CSC TS32357 [0,1,0,0,0,0|2,0,1]=4 322 B6R0.1 CCC(=O)NCC TS03904 [0,1,0,0,0,0|1,0,2]=4 323 B6R0.1 CCC(=O)OC=C TS31498 [0,1,0,0,0,0|0,0,0]=1 324 B6R0.1 CCC(=O)OCC TS03938 [0,1,0,0,0,0|0,0,2]=3 325 B6R0.1 CCC(=O)SCC TS32362 [0,1,0,0,0,0|0,1,2]=4 326 B6R0.1 CCC(C)CC=C TS03804 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.1 CCC(CC=C)O TS31532 [0,1,0,0,0,0|1,0,2]=4 328 B6R0.1 CCC=C(C)C=O TS03779 [0,1,0,0,0,0|1,0,2]=4 329 B6R0.1 CCCC(=O)CC TS31522 [0,1,0,0,0,0|1,0,2]=4 330 B6R0.1 CCCC(=O)OC TS03955 [0,1,0,0,0,0|1,0,2]=4 331 B6R0.1 CCNC(=O)CCl TS04876 [0,1,0,0,0,0|1,0,2]=4 332 B6R0.1 CCNC(=O)OC TS31636 [0,1,0,0,0,0|1,0,2]=4 333 B6R0.1 CCOC(=O)C#C TS03762 [0,1,0,0,0,0|0,0,3]=4 334 B6R0.1 CCOC(=O)C#N TS31469 [0,1,0,0,0,0|0,0,3]=4 335 B6R0.1 CCOC(=O)C=C TS33216 [0,1,0,0,0,0|0,0,3]=4 336 B6R0.1 CCOC(=O)C=O TS56148 [0,1,0,0,0,0|0,0,3]=4 337 B6R0.1 CCOC(=O)CBr TS56141 [0,1,0,0,0,0|0,0,2]=3 338 B6R0.1 CCOC(=O)CCl TS39825 [0,1,0,0,0,0|0,0,2]=3 339 B6R0.1 CCOC(=O)CF TS65215 [0,1,0,0,0,0|0,0,2]=3 340 B6R0.1 CCOC(=O)CN TS31646 [0,1,0,0,0,0|0,0,2]=3 341 B6R0.1 CCOC(=O)CN TS33221 [0,1,0,0,0,0|0,0,2]=3 342 B6R0.1 CCOC(=O)CO TS56147 [0,1,0,0,0,0|0,0,2]=3 343 B6R0.1 CCOC(=O)CS TS01466 [0,1,0,0,0,0|0,0,2]=3 344 B6R0.1 CCOC(=O)NC TS31637 [0,1,0,0,0,0|0,0,2]=3 345 B6R0.1 CCOC(=O)NN TS59780 [0,1,0,0,0,0|1,0,2]=4 346 B6R0.1 CCOC(=O)NO TS04067 [0,1,0,0,0,0|1,0,2]=4 347 B6R0.1 CCOC(=O)OC TS31662 [0,1,0,0,0,0|0,0,2]=3 348 B6R0.1 CNC(=O)CC#N TS55304 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.1 CNCC(=O)OC TS01682 [0,1,0,0,0,0|2,0,1]=4 350 B6R0.1 COC(=O)C=CN TS31544 [0,1,0,0,0,0|2,0,0]=3 351 B6R0.1 COC(=O)CC#N TS31466 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.1 COC(=O)CC=C TS31502 [0,1,0,0,0,0|1,0,0]=2 353 B6R0.1 COC(=O)CCBr TS56269 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.1 COC(=O)CCCl TS04939 [0,1,0,0,0,0|2,0,1]=4 355 B6R0.1 COC(=O)CCN TS08577 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.1 COC(=O)CCO TS65233 [0,1,0,0,0,0|2,0,1]=4 357 B6R0.1 COC(=O)CCS TS04824 [0,1,0,0,0,0|2,0,1]=4 358 B6R0.1 COC(=O)CSC TS39398 [0,1,0,0,0,0|2,0,1]=4 359 B6R0.1 COC(=O)C[N+]#[C-] TS31464 [0,1,0,0,0,0|2,0,1]=4 360 B6R0.1 COC(=O)N=C=O TS03897 [0,1,0,0,0,0|2,0,1]=4 361 B6R0.1 COCC(=O)OC TS39892 [0,1,0,0,0,0|2,0,1]=4 362 B6R0.2 C(=N)(N)NC(=O)N TS37857 [0,1,0,0,0,0|3,0,0]=4 363 B6R0.2 C(=O)(N)NC(=O)N TS31632 [0,1,0,0,0,0|3,0,0]=4 364 B6R0.2 C(=O)([O-])OC(=O)[O-] TS44007 [0,1,0,0,0,0|2,0,0]=3 365 B6R0.2 C(C(=N)N)C(=O)N TS37135 [0,1,0,0,0,0|3,0,0]=4 366 B6R0.2 C(C(=N)N)C(=O)O TS31589 [0,1,0,0,0,0|3,0,0]=4 367 B6R0.2 C(C(=O)Cl)C(=O)Cl TS37463 [0,1,0,0,0,0|3,0,0]=4 368 B6R0.2 C(C(=O)N)C(=O)N TS31588 [0,1,0,0,0,0|3,0,0]=4 369 B6R0.2 C(C(=O)O)C(=O)O TS01463 [0,1,0,0,0,0|3,0,0]=4 370 B6R0.2 C(C(=O)O)C(=O)O TS04061 [0,1,0,0,0,0|3,0,0]=4 371 B6R0.2 C(C(=O)O)C(=O)O TS08896 [0,1,0,0,0,0|3,0,0]=4 372 B6R0.2 C(C(=O)O)C(=O)O TS74524 [0,1,0,0,0,0|3,0,0]=4 373 B6R0.2 C(C(=O)O)C(=O)[O-] TS37554 [0,1,0,0,0,0|3,0,0]=4 374 B6R0.2 C(C(=O)[O-])C(=O)[O-] TS37547 [0,1,0,0,0,0|3,0,0]=4 375 B6R0.2 CC(=C)OC(=O)C TS03841 [0,1,0,0,0,0|0,0,0]=1 376 B6R0.2 CC(=CC(=C)C)C TS03733 [0,1,0,0,0,0|2,0,0]=3 377 B6R0.2 CC(=CC(=O)C)C TS31432 [0,1,0,0,0,0|1,0,1]=3 378 B6R0.2 CC(=CC(=O)C)N TS03815 [0,1,0,0,0,0|1,0,1]=3 379 B6R0.2 CC(=CC(=O)C)[O-] TS06421 [0,1,0,0,0,0|1,0,1]=3 380 B6R0.2 CC(=CC(=O)C)[O-] TS31723 [0,1,0,0,0,0|1,0,1]=3 381 B6R0.2 CC(=CC(=O)Cl)C TS04766 [0,1,0,0,0,0|2,0,1]=4 382 B6R0.2 CC(=CC(=O)O)C TS03839 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.2 CC(=O)CC(=O)C TS03846 [0,1,0,0,0,0|1,0,1]=3 384 B6R0.2 CC(=O)CC(=O)N TS31549 [0,1,0,0,0,0|2,0,0]=3 385 B6R0.2 CC(=O)CC(=O)O TS31585 [0,1,0,0,0,0|2,0,0]=3 386 B6R0.2 CC(=O)CC(=O)[O-] TS04127 [0,1,0,0,0,0|2,0,0]=3 387 B6R0.2 CC(=O)CN(C)C TS31555 [0,1,0,0,0,0|2,0,1]=4 388 B6R0.2 CC(=O)NC(=N)N TS77165 [0,1,0,0,0,0|2,0,0]=3 389 B6R0.2 CC(=O)NC(=O)C TS31542 [0,1,0,0,0,0|1,0,1]=3 390 B6R0.2 CC(=O)NC(=O)N TS03933 [0,1,0,0,0,0|2,0,0]=3 391 B6R0.2 CC(=O)NC(=S)N TS04730 [0,1,0,0,0,0|2,0,0]=3 392 B6R0.2 CC(=O)OC(=O)C TS31583 [0,1,0,0,0,0|0,0,1]=2 393 B6R0.2 CC(=O)SC(=O)C TS04729 [0,1,0,0,0,0|0,1,1]=3 394 B6R0.2 CC(=SC(=O)C)O TS05893 [0,1,0,0,0,0|0,1,1]=3 395 B6R0.2 CC(C)CC(=C)C TS31451 [0,1,0,0,0,0|2,0,1]=4 396 B6R0.2 CC(C)CC(=O)C TS31526 [0,1,0,0,0,0|1,0,2]=4 397 B6R0.2 CC(C)OC(=O)C TS01509 [0,1,0,0,0,0|0,0,2]=3 398 B6R0.2 CC(C)OC(=O)Cl TS59649 [0,1,0,0,0,0|1,0,2]=4 399 B6R0.2 CC(C)OC(=O)N TS03993 [0,1,0,0,0,0|1,0,2]=4 400 B6R0.2 CC(CC(=C)C)O TS31505 [0,1,0,0,0,0|1,0,2]=4 401 B6R0.2 CC(OC(=O)Cl)Cl TS46935 [0,1,0,0,0,0|1,0,2]=4 402 B6R0.3 C=CC(=C(F)F)F TS04131 [0,1,0,0,0,0|3,0,0]=4 403 B6R0.3 C=CC(C(=O)O)N TS07917 [0,1,0,0,0,0|2,0,0]=3 404 B6R0.3 C=C[C@@H](C(=O)O)N TS31547 [0,1,0,0,0,0|2,0,0]=3 405 B6R0.3 C=C[C@H](C(=O)O)N TS31536 [0,1,0,0,0,0|2,0,0]=3 406 B6R0.3 CC(=NO)C(=O)C TS31543 [0,1,0,0,0,0|3,0,0]=4 407 B6R0.3 CC(=O)C(=O)OC TS31579 [0,1,0,0,0,0|2,0,1]=4 408 B6R0.3 CC(=O)N(C)C=C TS59326 [0,1,0,0,0,0|1,0,0]=2 409 B6R0.3 CC(=O)N(C)OC TS56410 [0,1,0,0,0,0|2,0,1]=4 410 B6R0.3 CC(C(=O)C)SC TS32356 [0,1,0,0,0,0|2,0,1]=4 411 B6R0.3 CC(C)C(C)C=C TS03806 [0,1,0,0,0,0|2,0,1]=4 412 B6R0.3 CC(C)C(C=C)O TS31528 [0,1,0,0,0,0|2,0,1]=4 413 B6R0.3 CC(C=C)C(=C)C TS03723 [0,1,0,0,0,0|2,0,0]=3 414 B6R0.3 CC(C=C)C(=O)O TS03843 [0,1,0,0,0,0|2,0,0]=3 415 B6R0.3 CC(CO)C(=O)C TS03953 [0,1,0,0,0,0|2,0,1]=4 416 B6R0.3 CC=C(C)C(=O)C TS31447 [0,1,0,0,0,0|1,0,1]=3 417 B6R0.3 CC=C(C)C(=O)Cl TS04767 [0,1,0,0,0,0|2,0,1]=4 418 B6R0.3 CC=C(C)C(=O)O TS03838 [0,1,0,0,0,0|2,0,1]=4 419 B6R0.3 CC=C(C)C(=O)O TS03840 [0,1,0,0,0,0|2,0,1]=4 420 B6R0.3 CCC(=O)C(=O)C TS03844 [0,1,0,0,0,0|1,0,2]=4 421 B6R0.3 CCC(C(=O)C)S TS32355 [0,1,0,0,0,0|1,0,2]=4 422 B6R0.3 CCC(C)C(=O)C TS31518 [0,1,0,0,0,0|1,0,2]=4 423 B6R0.3 CN(C)C(=O)C=C TS03821 [0,1,0,0,0,0|3,0,0]=4 424 B6R0.4 C#CCOC(=O)Cl TS04763 [0,1,0,0,0,0|1,0,2]=4 425 B6R0.4 C(C(=O)O)NC=O TS31630 [0,1,0,0,0,0|3,0,0]=4 426 B6R0.4 C(C=CC(=O)O)Br TS42842 [0,1,0,0,0,0|2,0,1]=4 427 B6R0.4 C(C=CC(=O)O)O TS31577 [0,1,0,0,0,0|2,0,1]=4 428 B6R0.4 C(CBr)OC(=O)Cl TS50601 [0,1,0,0,0,0|1,0,2]=4 429 B6R0.4 C(CC(=O)O)C=O TS31586 [0,1,0,0,0,0|2,0,1]=4 430 B6R0.4 C(CCl)OC(=O)Cl TS06815 [0,1,0,0,0,0|1,0,2]=4 431 B6R0.4 C(CCl)OC(=O)N TS04987 [0,1,0,0,0,0|1,0,2]=4 432 B6R0.4 C=CC=CC(=O)O TS03760 [0,1,0,0,0,0|2,0,0]=3 433 B6R0.4 C=CCCC(=O)Cl TS71274 [0,1,0,0,0,0|2,0,0]=3 434 B6R0.4 C=CCCC(=O)O TS31497 [0,1,0,0,0,0|2,0,0]=3 435 B6R0.4 C=CCNC(=O)N TS03854 [0,1,0,0,0,0|2,0,0]=3 436 B6R0.4 C=CCNC(=S)N TS04616 [0,1,0,0,0,0|2,1,0]=4 437 B6R0.4 C=CCOC(=O)Cl TS33219 [0,1,0,0,0,0|1,0,0]=2 438 B6R0.4 C=CCOC(=O)N TS31538 [0,1,0,0,0,0|1,0,0]=2 439 B6R0.4 C=CCOC([O-])[O-] TS15287 [0,1,0,0,0,0|1,0,2]=4 440 B6R0.4 C=CCSC(=O)Cl TS06139 [0,1,0,0,0,0|1,1,0]=3 441 B6R0.4 CC(=C)CCC=C TS03725 [0,1,0,0,0,0|2,0,0]=3 442 B6R0.4 CC(=CCC=C)C TS03719 [0,1,0,0,0,0|2,0,0]=3 443 B6R0.4 CC(=O)C=COC TS03850 [0,1,0,0,0,0|1,0,1]=3 444 B6R0.4 CC(=O)CCC=C TS31440 [0,1,0,0,0,0|1,0,0]=2 445 B6R0.4 CC(=O)CCCCl TS03260 [0,1,0,0,0,0|1,0,2]=4 446 B6R0.4 CC(=O)CCCO TS39779 [0,1,0,0,0,0|1,0,2]=4 447 B6R0.4 CC(=O)CCSC TS32359 [0,1,0,0,0,0|1,0,2]=4 448 B6R0.4 CC(=O)NCCN TS31596 [0,1,0,0,0,0|1,0,2]=4 449 B6R0.4 CC(=O)NCCO TS03989 [0,1,0,0,0,0|1,0,2]=4 450 B6R0.4 CC(=O)NCCS TS04795 [0,1,0,0,0,0|1,0,2]=4 451 B6R0.4 CC(=O)OCC#C TS03765 [0,1,0,0,0,0|0,0,2]=3 452 B6R0.4 CC(=O)OCC=C TS03845 [0,1,0,0,0,0|0,0,0]=1 453 B6R0.4 CC(=O)OCC=O TS31580 [0,1,0,0,0,0|0,0,1]=2 454 B6R0.4 CC(=O)OCCBr TS55164 [0,1,0,0,0,0|0,0,2]=3 455 B6R0.4 CC(=O)OCCCl TS04941 [0,1,0,0,0,0|0,0,2]=3 456 B6R0.4 CC(=O)OCCO TS31665 [0,1,0,0,0,0|0,0,2]=3 457 B6R0.4 CC(=S)OCC#N TS32147 [0,1,0,0,0,0|0,1,2]=4 458 B6R0.4 CC(=S)OCC=C TS04611 [0,1,0,0,0,0|0,1,0]=2 459 B6R0.4 CC(C)C=CC=C TS31391 [0,1,0,0,0,0|2,0,1]=4 460 B6R0.4 CC(C)C=CC=O TS31437 [0,1,0,0,0,0|2,0,1]=4 461 B6R0.4 CC(C)CCC=C TS03801 [0,1,0,0,0,0|2,0,1]=4 462 B6R0.4 CC(C)COC=C TS31530 [0,1,0,0,0,0|1,0,1]=3 463 B6R0.4 CC(C)COC=O TS03939 [0,1,0,0,0,0|2,0,1]=4 464 B6R0.4 CC(C)SCC=C TS04640 [0,1,0,0,0,0|1,1,1]=4 465 B6R0.4 CC(CCC=C)Br TS11654 [0,1,0,0,0,0|2,0,1]=4 466 B6R0.4 CC(CCC=C)O TS31524 [0,1,0,0,0,0|1,0,2]=4 467 B6R0.4 CC=CCC(C)C TS03790 [0,1,0,0,0,0|2,0,1]=4 468 B6R0.4 CC=NNC(=O)N TS31550 [0,1,0,0,0,0|2,0,1]=4 469 B6R0.4 CCC#CC(=O)C TS31369 [0,1,0,0,0,0|1,0,2]=4 470 B6R0.4 CCC=CC(=O)C TS31424 [0,1,0,0,0,0|1,0,1]=3 471 B6R0.4 CCC=CC(=O)O TS03448 [0,1,0,0,0,0|2,0,1]=4 472 B6R0.4 CCC=CC(=O)O TS31503 [0,1,0,0,0,0|2,0,1]=4 473 B6R0.4 CCCCC(=O)C TS31529 [0,1,0,0,0,0|1,0,2]=4 474 B6R0.4 CCCOC(=O)C TS03949 [0,1,0,0,0,0|0,0,2]=3 475 B6R0.4 CCCOC(=O)Cl TS55808 [0,1,0,0,0,0|1,0,2]=4 476 B6R0.4 CCCSC(=O)C TS32364 [0,1,0,0,0,0|0,1,2]=4 477 B6R0.4 CCOCC(=O)O TS16814 [0,1,0,0,0,0|1,0,2]=4 478 B6R0.4 CCSCC(=O)C TS32360 [0,1,0,0,0,0|0,1,2]=4 479 B6R0.4 CN(C)C=CC=O TS02738 [0,1,0,0,0,0|3,0,0]=4 480 B6R0.4 C[C@@H](CCC=C)O TS03860 [0,1,0,0,0,0|1,0,2]=4 481 B6R0.5 C=CCP(=O)(Cl)Cl TS42011 [0,1,0,0,0,0|3,0,0]=4 482 B6R0.5 C=CCS(=O)(=O)[O-] TS40150 [0,1,0,0,0,0|3,0,0]=4 483 B6R0.5 C=CC[As](=O)(O)O TS42983 [0,1,0,0,0,0|3,0,0]=4 484 B6R0.5 CC(C)(C)OC=C TS31510 [0,1,0,0,0,0|1,0,1]=3 485 B6R0.5 CC(C)(C)OC=O TS03940 [0,1,0,0,0,0|2,0,1]=4 486 B6R0.5 CC(C)(CC=C)O TS31516 [0,1,0,0,0,0|1,0,2]=4 487 B6R0.5 CCOS(=O)(=O)C TS05031 [0,1,0,0,0,0|1,0,2]=4 488 B6R0.5 C[Ge](C)(C)CC=C TS42007 [0,1,0,0,0,0|2,1,0]=4 489 B6R0.5 C[N+](C)(C)CC=C TS06028 [0,1,0,0,0,0|3,0,0]=4 490 B6R0.5 C[N+](C)(C)CC=C TS14509 [0,1,0,0,0,0|3,0,0]=4 491 B6R0.5 C[Si](C)(C)CC=C TS32124 [0,1,0,0,0,0|2,1,0]=4 492 B6R0.5 C[Si](C)(C)OC=C TS94790 [0,1,0,0,0,0|1,1,0]=3 493 B6R0.5 C[Si](C)(CC=C)Cl TS36894 [0,1,0,0,0,0|2,1,0]=4 494 B6R0.5 C[Sn](C)(C)CC=C TS38731 [0,1,0,0,0,0|3,0,0]=4 495 B6R1.2 C1=CN=NC1=O TS03479 [0,0,0,1,0,0|2,0,1]=4 496 B6R1.2 C1=NC(=O)N=N1 TS94818 [0,0,0,1,0,0|3,0,0]=4 497 B6R1.2 C1C(=O)NCN1 TS32972 [0,0,0,1,0,0|2,0,1]=4 498 B6R1.2 C1C(=O)O[Pt]O1 TS23018 [0,0,0,1,0,0|2,0,0]=3 499 B6R1.2 C1C=CC(=O)N1 TS71697 [0,0,0,1,0,0|1,0,2]=4 500 B6R1.2 C1C=CC(=O)O1 TS03476 [0,0,0,1,0,0|0,0,2]=3 501 B6R1.2 C1C=CCC1=O TS03462 [0,0,0,1,0,0|1,0,0]=2 502 B6R1.2 C1C=CCC1N TS04803 [0,0,0,1,0,0|2,0,1]=4 503 B6R1.2 C1C=CCC1O TS71171 [0,0,0,1,0,0|1,0,2]=4 504 B6R1.2 C1CC(=O)C=C1 TS00977 [0,0,0,1,0,0|1,0,1]=3 505 B6R1.2 C1CC(=O)NC1 TS39938 [0,0,0,1,0,0|1,0,2]=4 506 B6R1.2 C1CC(=O)NC1 TS63365 [0,0,0,1,0,0|1,0,2]=4 507 B6R1.2 C1CC(=O)SC1 TS31607 [0,0,0,1,0,0|0,1,2]=4 508 B6R1.2 C1CCC(=O)C1 TS03493 [0,0,0,1,0,0|1,0,2]=4 509 B6R1.2 C1CNCC1=O TS88446 [0,0,0,1,0,0|2,0,1]=4 510 B6R1.2 C1CNNC1=O TS04946 [0,0,0,1,0,0|2,0,1]=4 511 B6R1.2 C1COC(=O)N1 TS03552 [0,0,0,1,0,0|1,0,2]=4 512 B6R1.2 C1COC(=O)O1 TS71793 [0,0,0,1,0,0|1,0,2]=4 513 B6R1.2 C1COCC1=O TS01440 [0,0,0,1,0,0|2,0,1]=4 514 B6R1.2 C1CSCC1=O TS81072 [0,0,0,1,0,0|2,0,1]=4 515 B6R1.2 CC1=CCCO1 TS03492 [0,0,0,1,0,0|1,0,2]=4 516 B6R1.2 CC1=NCCO1 TS71733 [0,0,0,1,0,0|1,0,2]=4 517 B6R1.2 Cc1[nH]ccn1 TS59974 [0,0,0,1,0,0|2,0,0]=3 518 B6R1.2 Cc1c[nH]cn1 TS03464 [0,0,0,1,0,0|3,0,0]=4 519 B6R1.2 Cc1cc[nH]c1 TS70679 [0,0,0,1,0,0|3,0,0]=4 520 B6R1.2 Cc1cc[nH]n1 TS70653 [0,0,0,1,0,0|3,0,0]=4 521 B6R1.2 Cc1ccco1 TS03463 [0,0,0,1,0,0|1,0,0]=2 522 B6R1.2 Cc1cccs1 TS65607 [0,0,0,1,0,0|1,1,0]=3 523 B6R1.2 Cc1ccno1 TS71696 [0,0,0,1,0,0|2,0,0]=3 524 B6R1.2 Cc1ccoc1 TS02846 [0,0,0,1,0,0|3,0,0]=4 525 B6R1.2 Cc1ccsc1 TS70682 [0,0,0,1,0,0|3,0,0]=4 526 B6R1.2 Cc1ccsn1 TS39717 [0,0,0,1,0,0|3,0,0]=4 527 B6R1.2 Cc1cncs1 TS33187 [0,0,0,1,0,0|2,1,0]=4 528 B6R1.2 Cc1cscn1 TS71246 [0,0,0,1,0,0|3,0,0]=4 529 B6R1.2 Cc1nc[nH]n1 TS70651 [0,0,0,1,0,0|3,0,0]=4 530 B6R1.2 Cn1cccc1 TS03445 [0,0,0,1,0,0|3,0,0]=4 531 B6R1.2 Cn1cccn1 TS47002 [0,0,0,1,0,0|3,0,0]=4 532 B6R1.2 c1c[nH]c(=O)[nH]1 TS03478 [0,0,0,1,0,0|2,0,0]=3 533 B6R1.2 c1cc(oc1)Br TS55169 [0,0,0,1,0,0|1,0,1]=3 534 B6R1.2 c1cc(sc1)Br TS55181 [0,0,0,1,0,0|1,1,1]=4 535 B6R1.2 c1cc(sc1)Cl TS04771 [0,0,0,1,0,0|1,1,1]=4 536 B6R1.2 c1cc(sc1)F TS01041 [0,0,0,1,0,0|1,1,1]=4 537 B6R1.2 c1cc(sc1)I TS07727 [0,0,0,1,0,0|1,1,1]=4 538 B6R1.2 c1cc(sc1)S TS39686 [0,0,0,1,0,0|0,2,1]=4 539 B6R1.2 c1cc(sc1)[Zn+] TS24604 [0,0,0,1,0,0|1,1,1]=4 540 B6R1.2 c1cnc([nH]1)Br TS55170 [0,0,0,1,0,0|3,0,0]=4 541 B6R1.2 c1cnc([nH]1)Cl TS08380 [0,0,0,1,0,0|3,0,0]=4 542 B6R1.2 c1cnc([nH]1)F TS03522 [0,0,0,1,0,0|3,0,0]=4 543 B6R1.2 c1cnc([nH]1)N TS47471 [0,0,0,1,0,0|3,0,0]=4 544 B6R1.2 c1cnc([nH]1)N TS47472 [0,0,0,1,0,0|3,0,0]=4 545 B6R1.2 c1cnc([nH]1)S TS03856 [0,0,0,1,0,0|2,1,0]=4 546 B6R1.2 c1cnoc1N TS85224 [0,0,0,1,0,0|2,0,1]=4 547 B6R1.2 c1coc(=O)o1 TS16828 [0,0,0,1,0,0|1,0,0]=2 548 B6R1.2 c1coc(n1)I TS86803 [0,0,0,1,0,0|2,0,0]=3 549 B6R1.2 c1coc(n1)N TS00816 [0,0,0,1,0,0|2,0,0]=3 550 B6R1.2 c1csc(=S)s1 TS36879 [0,0,0,1,0,0|1,2,0]=4 551 B6R1.2 c1csc(n1)Br TS55175 [0,0,0,1,0,0|2,1,0]=4 552 B6R1.2 c1csc(n1)Cl TS00969 [0,0,0,1,0,0|2,1,0]=4 553 B6R1.2 c1csc(n1)N TS06140 [0,0,0,1,0,0|2,1,0]=4 554 B6R1.2 c1csc(n1)N TS56047 [0,0,0,1,0,0|2,1,0]=4 555 B6R1.2 c1csc(n1)S TS32304 [0,0,0,1,0,0|1,2,0]=4 556 B6R1.2 c1csc(n1)[Zn+] TS24766 [0,0,0,1,0,0|2,1,0]=4 557 B6R1.5 C1C(CC1=O)Br TS90589 [0,0,0,1,0,0|2,0,1]=4 558 B6R1.5 C1C(CC1=O)F TS92277 [0,0,0,1,0,0|2,0,1]=4 559 B6R1.5 C1C(CC1=O)N TS88191 [0,0,0,1,0,0|2,0,1]=4 560 B6R1.5 C=C1CC(=O)O1 TS55716 [0,0,0,1,0,0|0,0,0]=1 561 B6R1.5 CC1CC(=O)N1 TS71735 [0,0,0,1,0,0|1,0,2]=4 562 B6R1.10 C1C=CS1(=O)=O TS04025 [0,0,0,1,0,0|3,0,0]=4 563 B6R1.11 CC(=O)C1CC1 TS39597 [0,0,0,1,0,0|1,0,2]=4 564 B6R1.11 CC(=O)C1CO1 TS03532 [0,0,0,1,0,0|2,0,1]=4 565 B6R1.11 CC(=O)N1CC1 TS03506 [0,0,0,1,0,0|1,0,2]=4 566 B3R0.1 C#CC=O TS65569 [2,0,0,0,0,0|0,0,2]=4 567 B3R0.1 C(=CBr)Br TS48814 [2,0,0,0,0,0|2,0,0]=4 568 B3R0.1 C(=CBr)F TS36038 [2,0,0,0,0,0|2,0,0]=4 569 B3R0.1 C(=CCl)Cl TS03742 [2,0,0,0,0,0|2,0,0]=4 570 B3R0.1 C(=CCl)F TS71673 [2,0,0,0,0,0|2,0,0]=4 571 B3R0.1 C(=CF)F TS65848 [2,0,0,0,0,0|2,0,0]=4 572 B3R0.1 C(=CI)Br TS25313 [2,0,0,0,0,0|2,0,0]=4 573 B3R0.1 C(=O)C=O TS02414 [2,0,0,0,0,0|1,0,0]=3 574 B3R0.1 C(=O)C=O TS73473 [2,0,0,0,0,0|1,0,0]=3 575 B3R0.1 C(=O)NN TS02435 [2,0,0,0,0,0|2,0,0]=4 576 B3R0.1 C(=O)OO TS65600 [2,0,0,0,0,0|1,0,0]=3 577 B3R0.1 C(C=O)Cl TS15061 [2,0,0,0,0,0|1,0,1]=4 578 B3R0.1 C(C=O)Cl TS71651 [2,0,0,0,0,0|1,0,1]=4 579 B3R0.1 C(C=O)O TS02433 [2,0,0,0,0,0|1,0,1]=4 580 B3R0.1 C=CC#C TS65565 [2,0,0,0,0,0|0,0,2]=4 581 B3R0.1 C=CC#N TS85293 [2,0,0,0,0,0|1,0,1]=4 582 B3R0.1 C=CC=C TS51732 [2,0,0,0,0,0|0,0,1]=3 583 B3R0.1 C=CC=C TS65573 [2,0,0,0,0,0|0,0,1]=3 584 B3R0.1 C=CC=O TS33215 [2,0,0,0,0,0|0,0,0]=2 585 B3R0.1 C=CCBr TS39710 [2,0,0,0,0,0|1,0,1]=4 586 B3R0.1 C=CCCl TS03413 [2,0,0,0,0,0|1,0,1]=4 587 B3R0.1 C=CCF TS65583 [2,0,0,0,0,0|1,0,1]=4 588 B3R0.1 C=CCI TS93895 [2,0,0,0,0,0|1,0,1]=4 589 B3R0.1 C=CCN TS01644 [2,0,0,0,0,0|1,0,1]=4 590 B3R0.1 C=CCO TS02418 [2,0,0,0,0,0|0,0,2]=4 591 B3R0.1 C=CCS TS71619 [2,0,0,0,0,0|0,1,1]=4 592 B3R0.1 C=C[Mg]Br TS39970 [2,0,0,0,0,0|2,0,0]=4 593 B3R0.1 C=C[Mg]Cl TS03549 [2,0,0,0,0,0|2,0,0]=4 594 B3R0.1 CC=C=C TS65572 [2,0,0,0,0,0|0,0,1]=3 595 B3R0.1 CC=CBr TS00041 [2,0,0,0,0,0|1,0,0]=3 596 B3R0.1 CC=CCl TS03412 [2,0,0,0,0,0|1,0,0]=3 597 B3R0.1 CC=CCl TS03414 [2,0,0,0,0,0|1,0,0]=3 598 B3R0.1 CC=NO TS02427 [2,0,0,0,0,0|2,0,0]=4 599 B3R0.1 CCC=C TS02407 [2,0,0,0,0,0|0,0,1]=3 600 B3R0.1 CCC=O TS02416 [2,0,0,0,0,0|0,0,2]=4 601 B3R0.1 CCC=S TS71851 [2,0,0,0,0,0|1,0,1]=4 602 B3R0.1 CCOC TS65588 [2,0,0,0,0,0|0,0,2]=4 603 B3R0.1 CCON TS31411 [2,0,0,0,0,0|1,0,1]=4 604 B3R0.1 CNC=O TS39915 [2,0,0,0,0,0|1,0,1]=4 605 B3R0.1 CNOC TS01578 [2,0,0,0,0,0|1,0,1]=4 606 B3R0.1 COC=C TS02419 [2,0,0,0,0,0|0,0,0]=2 607 B3R0.1 COC=O TS02434 [2,0,0,0,0,0|0,0,1]=3 608 B3R0.1 COCBr TS36040 [2,0,0,0,0,0|1,0,1]=4 609 B3R0.1 COCCl TS56228 [2,0,0,0,0,0|1,0,1]=4 610 B3R0.1 COCI TS13091 [2,0,0,0,0,0|1,0,1]=4 611 B3R0.2 B(C)(O)O TS56314 [2,0,0,0,0,0|1,0,1]=4 612 B3R0.2 BC(=O)O TS31626 [2,0,0,0,0,0|1,0,0]=3 613 B3R0.2 BC(=O)O TS71624 [2,0,0,0,0,0|1,0,0]=3 614 B3R0.2 C(=O)(Cl)Cl TS31459 [2,0,0,0,0,0|2,0,0]=4 615 B3R0.2 C(=O)(Cl)[Au+] TS68420 [2,0,0,0,0,0|2,0,0]=4 616 B3R0.2 C(=O)(F)Cl TS71691 [2,0,0,0,0,0|2,0,0]=4 617 B3R0.2 C(=O)(F)F TS02705 [2,0,0,0,0,0|2,0,0]=4 618 B3R0.2 C(=O)(N)N TS03623 [2,0,0,0,0,0|2,0,0]=4 619 B3R0.2 C(=O)(N)N TS07204 [2,0,0,0,0,0|2,0,0]=4 620 B3R0.2 C(=O)(N)N TS32547 [2,0,0,0,0,0|2,0,0]=4 621 B3R0.2 C(=O)(N)N TS39967 [2,0,0,0,0,0|2,0,0]=4 622 B3R0.2 C(=O)(N)N TS65581 [2,0,0,0,0,0|2,0,0]=4 623 B3R0.2 C(=O)(N)O TS66709 [2,0,0,0,0,0|1,0,0]=3 624 B3R0.2 C(=O)(N)[O-] TS03427 [2,0,0,0,0,0|1,0,1]=4 625 B3R0.2 C(=O)(O)[O-] TS03472 [2,0,0,0,0,0|1,0,0]=3 626 B3R0.2 C(=O)(O)[O-] TS31493 [2,0,0,0,0,0|1,0,0]=3 627 B3R0.2 C(=O)(O)[O-] TS64311 [2,0,0,0,0,0|1,0,0]=3 628 B3R0.2 C(=O)(O)[O-] TS71655 [2,0,0,0,0,0|1,0,0]=3 629 B3R0.2 C(=O)(O)[O-] TS73178 [2,0,0,0,0,0|1,0,0]=3 630 B3R0.2 C(=O)(O)[O-] TS93155 [2,0,0,0,0,0|1,0,0]=3 631 B3R0.2 C(=O)(O)[O-] TS93188 [2,0,0,0,0,0|1,0,0]=3 632 B3R0.2 C(=O)([O-])[O-] TS03387 [2,0,0,0,0,0|1,0,1]=4 633 B3R0.2 C(=O)([O-])[O-] TS03713 [2,0,0,0,0,0|1,0,1]=4 634 B3R0.2 C(=O)([O-])[O-] TS04776 [2,0,0,0,0,0|1,0,1]=4 635 B3R0.2 C(=O)([O-])[O-] TS04890 [2,0,0,0,0,0|1,0,1]=4 636 B3R0.2 C(=O)([O-])[O-] TS04999 [2,0,0,0,0,0|1,0,1]=4 637 B3R0.2 C(=O)([O-])[O-] TS06152 [2,0,0,0,0,0|1,0,1]=4 638 B3R0.2 C(=O)([O-])[O-] TS07394 [2,0,0,0,0,0|1,0,1]=4 639 B3R0.2 C(=O)([O-])[O-] TS10713 [2,0,0,0,0,0|1,0,1]=4 640 B3R0.2 C(=O)([O-])[O-] TS13249 [2,0,0,0,0,0|1,0,1]=4 641 B3R0.2 C(=O)([O-])[O-] TS31492 [2,0,0,0,0,0|1,0,1]=4 642 B3R0.2 C(=O)([O-])[O-] TS31721 [2,0,0,0,0,0|1,0,1]=4 643 B3R0.2 C(=O)([O-])[O-] TS32136 [2,0,0,0,0,0|1,0,1]=4 644 B3R0.2 C(=O)([O-])[O-] TS34910 [2,0,0,0,0,0|1,0,1]=4 645 B3R0.2 C(=O)([O-])[O-] TS36076 [2,0,0,0,0,0|1,0,1]=4 646 B3R0.2 C(=O)([O-])[O-] TS37206 [2,0,0,0,0,0|1,0,1]=4 647 B3R0.2 C(=O)([O-])[O-] TS39946 [2,0,0,0,0,0|1,0,1]=4 648 B3R0.2 C(=O)([O-])[O-] TS40137 [2,0,0,0,0,0|1,0,1]=4 649 B3R0.2 C(=O)([O-])[O-] TS59750 [2,0,0,0,0,0|1,0,1]=4 650 B3R0.2 C(=O)([O-])[O-] TS66263 [2,0,0,0,0,0|1,0,1]=4 651 B3R0.2 C(=O)([O-])[O-] TS71725 [2,0,0,0,0,0|1,0,1]=4 652 B3R0.2 C(=O)([O-])[O-] TS72053 [2,0,0,0,0,0|1,0,1]=4 653 B3R0.2 C(=O)([O-])[O-] TS72210 [2,0,0,0,0,0|1,0,1]=4 654 B3R0.2 C(=O)([O-])[O-] TS72393 [2,0,0,0,0,0|1,0,1]=4 655 B3R0.2 C(=O)([O-])[O-] TS72461 [2,0,0,0,0,0|1,0,1]=4 656 B3R0.2 C(=O)([O-])[O-] TS72660 [2,0,0,0,0,0|1,0,1]=4 657 B3R0.2 C(=O)([O-])[O-] TS73030 [2,0,0,0,0,0|1,0,1]=4 658 B3R0.2 C(=O)([O-])[O-] TS73353 [2,0,0,0,0,0|1,0,1]=4 659 B3R0.2 C(=O)([O-])[O-] TS75534 [2,0,0,0,0,0|1,0,1]=4 660 B3R0.2 C(=O)([O-])[O-] TS83041 [2,0,0,0,0,0|1,0,1]=4 661 B3R0.2 C(=O)([O-])[O-] TS83243 [2,0,0,0,0,0|1,0,1]=4 662 B3R0.2 C(=O)([O-])[O-] TS83378 [2,0,0,0,0,0|1,0,1]=4 663 B3R0.2 C(=O)([O-])[O-] TS83401 [2,0,0,0,0,0|1,0,1]=4 664 B3R0.2 C(=O)([O-])[O-] TS83551 [2,0,0,0,0,0|1,0,1]=4 665 B3R0.2 C(=O)([O-])[O-] TS83636 [2,0,0,0,0,0|1,0,1]=4 666 B3R0.2 C(=O)([O-])[O-] TS84117 [2,0,0,0,0,0|1,0,1]=4 667 B3R0.2 C(=O)([O-])[O-] TS93144 [2,0,0,0,0,0|1,0,1]=4 668 B3R0.2 C(=O)([O-])[O-] TS93580 [2,0,0,0,0,0|1,0,1]=4 669 B3R0.2 C(=O)([O-])[O-] TS94687 [2,0,0,0,0,0|1,0,1]=4 670 B3R0.2 C(=O)([O-])[O-] TS94697 [2,0,0,0,0,0|1,0,1]=4 671 B3R0.2 C(=O)([O-])[O-] TS94719 [2,0,0,0,0,0|1,0,1]=4 672 B3R0.2 C(=O)([O-])[O-] TS94721 [2,0,0,0,0,0|1,0,1]=4 673 B3R0.2 C(=O)([O-])[O-] TS94747 [2,0,0,0,0,0|1,0,1]=4 674 B3R0.2 C=C(Br)Br TS48813 [2,0,0,0,0,0|2,0,0]=4 675 B3R0.2 C=C(Cl)Cl TS03743 [2,0,0,0,0,0|2,0,0]=4 676 B3R0.2 C=C(F)Br TS36039 [2,0,0,0,0,0|2,0,0]=4 677 B3R0.2 C=C(F)Cl TS71674 [2,0,0,0,0,0|2,0,0]=4 678 B3R0.2 C=C(F)F TS02633 [2,0,0,0,0,0|2,0,0]=4 679 B3R0.2 CC(=C)Br TS04851 [2,0,0,0,0,0|1,0,0]=3 680 B3R0.2 CC(=C)C TS02408 [2,0,0,0,0,0|1,0,0]=3 681 B3R0.2 CC(=C)C TS12599 [2,0,0,0,0,0|1,0,0]=3 682 B3R0.2 CC(=C)F TS65582 [2,0,0,0,0,0|1,0,0]=3 683 B3R0.2 CC(=C)I TS43297 [2,0,0,0,0,0|1,0,0]=3 684 B3R0.2 CC(=N)N TS01338 [2,0,0,0,0,0|2,0,0]=4 685 B3R0.2 CC(=N)N TS32338 [2,0,0,0,0,0|2,0,0]=4 686 B3R0.2 CC(=O)Br TS32543 [2,0,0,0,0,0|1,0,0]=3 687 B3R0.2 CC(=O)C TS02420 [2,0,0,0,0,0|0,0,1]=3 688 B3R0.2 CC(=O)C TS42396 [2,0,0,0,0,0|0,0,1]=3 689 B3R0.2 CC(=O)Cl TS71652 [2,0,0,0,0,0|1,0,0]=3 690 B3R0.2 CC(=O)F TS65601 [2,0,0,0,0,0|1,0,0]=3 691 B3R0.2 CC(=O)I TS45073 [2,0,0,0,0,0|1,0,0]=3 692 B3R0.2 CC(=O)N TS02426 [2,0,0,0,0,0|1,0,0]=3 693 B3R0.2 CC(=O)O TS02283 [2,0,0,0,0,0|0,0,0]=2 694 B3R0.2 CC(=O)O TS02432 [2,0,0,0,0,0|0,0,0]=2 695 B3R0.2 CC(=O)O TS06643 [2,0,0,0,0,0|0,0,0]=2 696 B3R0.2 CC(=O)O TS08541 [2,0,0,0,0,0|0,0,0]=2 697 B3R0.2 CC(=O)O TS32397 [2,0,0,0,0,0|0,0,0]=2 698 B3R0.2 CC(=O)O TS65594 [2,0,0,0,0,0|0,0,0]=2 699 B3R0.2 CC(=O)[O-] TS00235 [2,0,0,0,0,0|0,0,1]=3 700 B3R0.2 CC(=O)[O-] TS01392 [2,0,0,0,0,0|0,0,1]=3 701 B3R0.2 CC(=O)[O-] TS03418 [2,0,0,0,0,0|0,0,1]=3 702 B3R0.2 CC(=O)[O-] TS03456 [2,0,0,0,0,0|0,0,1]=3 703 B3R0.2 CC(=O)[O-] TS04787 [2,0,0,0,0,0|0,0,1]=3 704 B3R0.2 CC(=O)[O-] TS04947 [2,0,0,0,0,0|0,0,1]=3 705 B3R0.2 CC(=O)[O-] TS06035 [2,0,0,0,0,0|0,0,1]=3 706 B3R0.2 CC(=O)[O-] TS13953 [2,0,0,0,0,0|0,0,1]=3 707 B3R0.2 CC(=O)[O-] TS18902 [2,0,0,0,0,0|0,0,1]=3 708 B3R0.2 CC(=O)[O-] TS26452 [2,0,0,0,0,0|0,0,1]=3 709 B3R0.2 CC(=O)[O-] TS27546 [2,0,0,0,0,0|0,0,1]=3 710 B3R0.2 CC(=O)[O-] TS29951 [2,0,0,0,0,0|0,0,1]=3 711 B3R0.2 CC(=O)[O-] TS38928 [2,0,0,0,0,0|0,0,1]=3 712 B3R0.2 CC(=O)[O-] TS41886 [2,0,0,0,0,0|0,0,1]=3 713 B3R0.2 CC(=O)[O-] TS43176 [2,0,0,0,0,0|0,0,1]=3 714 B3R0.2 CC(=O)[O-] TS45710 [2,0,0,0,0,0|0,0,1]=3 715 B3R0.2 CC(=O)[O-] TS49663 [2,0,0,0,0,0|0,0,1]=3 716 B3R0.2 CC(=O)[O-] TS55806 [2,0,0,0,0,0|0,0,1]=3 717 B3R0.2 CC(=O)[O-] TS58868 [2,0,0,0,0,0|0,0,1]=3 718 B3R0.2 CC(=O)[O-] TS59815 [2,0,0,0,0,0|0,0,1]=3 719 B3R0.2 CC(=O)[O-] TS62641 [2,0,0,0,0,0|0,0,1]=3 720 B3R0.2 CC(=O)[O-] TS62666 [2,0,0,0,0,0|0,0,1]=3 721 B3R0.2 CC(=O)[O-] TS63478 [2,0,0,0,0,0|0,0,1]=3 722 B3R0.2 CC(=O)[O-] TS64101 [2,0,0,0,0,0|0,0,1]=3 723 B3R0.2 CC(=O)[O-] TS65998 [2,0,0,0,0,0|0,0,1]=3 724 B3R0.2 CC(=O)[O-] TS69697 [2,0,0,0,0,0|0,0,1]=3 725 B3R0.2 CC(=O)[O-] TS69754 [2,0,0,0,0,0|0,0,1]=3 726 B3R0.2 CC(=O)[O-] TS69943 [2,0,0,0,0,0|0,0,1]=3 727 B3R0.2 CC(=O)[O-] TS72196 [2,0,0,0,0,0|0,0,1]=3 728 B3R0.2 CC(=O)[O-] TS73462 [2,0,0,0,0,0|0,0,1]=3 729 B3R0.2 CC(=O)[O-] TS73694 [2,0,0,0,0,0|0,0,1]=3 730 B3R0.2 CC(=O)[O-] TS76815 [2,0,0,0,0,0|0,0,1]=3 731 B3R0.2 CC(=O)[O-] TS77303 [2,0,0,0,0,0|0,0,1]=3 732 B3R0.2 CC(=O)[O-] TS78087 [2,0,0,0,0,0|0,0,1]=3 733 B3R0.2 CC(=O)[O-] TS78184 [2,0,0,0,0,0|0,0,1]=3 734 B3R0.2 CC(=O)[O-] TS78238 [2,0,0,0,0,0|0,0,1]=3 735 B3R0.2 CC(=O)[O-] TS78451 [2,0,0,0,0,0|0,0,1]=3 736 B3R0.2 CC(=O)[O-] TS78756 [2,0,0,0,0,0|0,0,1]=3 737 B3R0.2 CC(=O)[O-] TS78836 [2,0,0,0,0,0|0,0,1]=3 738 B3R0.2 CC(=O)[O-] TS79224 [2,0,0,0,0,0|0,0,1]=3 739 B3R0.2 CC(=O)[O-] TS79279 [2,0,0,0,0,0|0,0,1]=3 740 B3R0.2 CC(=O)[O-] TS79965 [2,0,0,0,0,0|0,0,1]=3 741 B3R0.2 CC(=O)[O-] TS80560 [2,0,0,0,0,0|0,0,1]=3 742 B3R0.2 CC(=O)[O-] TS81725 [2,0,0,0,0,0|0,0,1]=3 743 B3R0.2 CC(=O)[O-] TS82231 [2,0,0,0,0,0|0,0,1]=3 744 B3R0.2 CC(=O)[O-] TS93749 [2,0,0,0,0,0|0,0,1]=3 745 B3R0.2 CC(=O)[O-] TS94725 [2,0,0,0,0,0|0,0,1]=3 746 B3R0.2 CC(=O)[O-] TS94733 [2,0,0,0,0,0|0,0,1]=3 747 B3R0.2 CC(=S)N TS01726 [2,0,0,0,0,0|1,1,0]=4 748 B3R0.2 CC(=S)O TS71644 [2,0,0,0,0,0|0,1,0]=3 749 B3R0.2 CC(=S)[O-] TS00248 [2,0,0,0,0,0|0,1,1]=4 750 B3R0.2 CC(C)O TS65587 [2,0,0,0,0,0|1,0,1]=4 751 B3R0.2 CN(C)O TS31413 [2,0,0,0,0,0|2,0,0]=4 752 B3R0.2 CS(=O)[O-] TS93511 [2,0,0,0,0,0|1,0,1]=4 753 B3R0.2 C[N+](=C)C TS15411 [2,0,0,0,0,0|2,0,0]=4 754 B3R0.2 C[N+](=O)[O-] TS65593 [2,0,0,0,0,0|1,0,1]=4 755 B3R0.2 C[Sn](=O)C TS42834 [2,0,0,0,0,0|1,0,1]=4 756 B3R0.2 N(=O)(=O)O TS83741 [2,0,0,0,0,0|2,0,0]=4 757 B3R0.2 OI(=O)=O TS46027 [2,0,0,0,0,0|2,0,0]=4 758 B3R0.2 OI(=O)=O TS67492 [2,0,0,0,0,0|2,0,0]=4 759 B3R0.2 OS(=O)O TS03459 [2,0,0,0,0,0|2,0,0]=4 760 B3R0.2 OS(=O)[O-] TS03814 [2,0,0,0,0,0|2,0,0]=4 761 B3R0.2 OS(=O)[O-] TS05867 [2,0,0,0,0,0|2,0,0]=4 762 B3R0.2 OS(=O)[O-] TS31655 [2,0,0,0,0,0|2,0,0]=4 763 B3R0.2 O[Se](=O)O TS36382 [2,0,0,0,0,0|2,0,0]=4 764 B3R0.2 O[V](=O)=O TS32266 [2,0,0,0,0,0|2,0,0]=4 765 B3R0.2 [2H]C(=O)[O-] TS03081 [2,0,0,0,0,0|1,0,1]=4 766 B3R0.2 [N+](=O)(O)[O-] TS03690 [2,0,0,0,0,0|2,0,0]=4 767 B5R0.3 C(C(=CBr)Br)O TS21960 [1,1,0,0,0,0|2,0,0]=4 768 B5R0.3 C(C(=CCl)Cl)Cl TS07134 [1,1,0,0,0,0|2,0,0]=4 769 B5R0.3 C(C(=O)CBr)Br TS21961 [1,1,0,0,0,0|1,0,1]=4 770 B5R0.3 C(C(=O)CCl)Cl TS36200 [1,1,0,0,0,0|1,0,1]=4 771 B5R0.3 C(C(=O)CF)F TS03661 [1,1,0,0,0,0|1,0,1]=4 772 B5R0.3 C(C(=O)CI)I TS60842 [1,1,0,0,0,0|1,0,1]=4 773 B5R0.3 C(C(=O)CN)N TS11357 [1,1,0,0,0,0|1,0,1]=4 774 B5R0.3 C(C(=O)CO)O TS46803 [1,1,0,0,0,0|1,0,1]=4 775 B5R0.3 C=CC(=O)CBr TS00417 [1,1,0,0,0,0|0,0,0]=2 776 B5R0.3 C=CC(CBr)O TS40965 [1,1,0,0,0,0|0,0,2]=4 777 B5R0.3 C=CC(CO)O TS03577 [1,1,0,0,0,0|0,0,2]=4 778 B5R0.3 C=C[C@@H](CO)N TS04992 [1,1,0,0,0,0|1,0,1]=4 779 B5R0.3 C=C[C@@H](CO)O TS03582 [1,1,0,0,0,0|0,0,2]=4 780 B5R0.3 C=C[C@H](CO)N TS04990 [1,1,0,0,0,0|1,0,1]=4 781 B5R0.3 C=C[C@H](CO)O TS03583 [1,1,0,0,0,0|0,0,2]=4 782 B5R0.3 CC(=CN)C=O TS07741 [1,1,0,0,0,0|1,0,0]=3 783 B5R0.3 CC(C=C)C#N TS03444 [1,1,0,0,0,0|1,0,1]=4 784 B5R0.3 CC(C=C)[Mg]Cl TS32133 [1,1,0,0,0,0|1,0,1]=4 785 B5R0.3 CC(CO)C=C TS71745 [1,1,0,0,0,0|0,0,2]=4 786 B5R0.3 CC=C(C)C=C TS03466 [1,1,0,0,0,0|1,0,0]=3 787 B5R0.3 CC=C(C)C=C TS71680 [1,1,0,0,0,0|1,0,0]=3 788 B5R0.3 CC=C(C)C=O TS03488 [1,1,0,0,0,0|0,0,1]=3 789 B5R0.3 CC=C(C=O)Cl TS04052 [1,1,0,0,0,0|1,0,1]=4 790 B5R0.3 CC=C(CO)Br TS40966 [1,1,0,0,0,0|1,0,1]=4 791 B5R0.3 CCC(=C)C=C TS71686 [1,1,0,0,0,0|1,0,0]=3 792 B5R0.3 CCC(=O)C=C TS03496 [1,1,0,0,0,0|0,0,0]=2 793 B5R0.3 CCC(=O)C=O TS03524 [1,1,0,0,0,0|1,0,0]=3 794 B5R0.3 CCC(=O)CBr TS00020 [1,1,0,0,0,0|0,0,2]=4 795 B5R0.3 CCC(=O)CC TS00240 [1,1,0,0,0,0|0,0,2]=4 796 B5R0.3 CCC(=O)CCl TS31736 [1,1,0,0,0,0|0,0,2]=4 797 B5R0.3 CCC(=O)CO TS05538 [1,1,0,0,0,0|0,0,2]=4 798 B5R0.3 CCC(=O)NC TS03562 [1,1,0,0,0,0|0,0,2]=4 799 B5R0.3 CCC(=O)NN TS03589 [1,1,0,0,0,0|2,0,0]=4 800 B5R0.3 CCC(=O)OC TS03587 [1,1,0,0,0,0|0,0,1]=3 801 B5R0.3 CCC(=S)OC TS31680 [1,1,0,0,0,0|0,1,1]=4 802 B5R0.3 CCC(C=C)O TS71760 [1,1,0,0,0,0|0,0,2]=4 803 B5R0.3 CNC(=O)CCl TS04119 [1,1,0,0,0,0|1,0,1]=4 804 B5R0.3 CNC(=O)CN TS36033 [1,1,0,0,0,0|1,0,1]=4 805 B5R0.3 CNC(=O)NC TS08682 [1,1,0,0,0,0|1,0,1]=4 806 B5R0.3 COC(=O)C#C TS01555 [1,1,0,0,0,0|0,0,2]=4 807 B5R0.3 COC(=O)C#N TS71728 [1,1,0,0,0,0|0,0,2]=4 808 B5R0.3 COC(=O)C=C TS03529 [1,1,0,0,0,0|0,0,0]=2 809 B5R0.3 COC(=O)C=O TS65230 [1,1,0,0,0,0|1,0,0]=3 810 B5R0.3 COC(=O)CBr TS08895 [1,1,0,0,0,0|0,0,1]=3 811 B5R0.3 COC(=O)CCl TS39826 [1,1,0,0,0,0|0,0,1]=3 812 B5R0.3 COC(=O)CF TS65235 [1,1,0,0,0,0|0,0,1]=3 813 B5R0.3 COC(=O)CN TS36079 [1,1,0,0,0,0|0,0,1]=3 814 B5R0.3 COC(=O)CN TS93910 [1,1,0,0,0,0|0,0,1]=3 815 B5R0.3 COC(=O)CO TS03617 [1,1,0,0,0,0|0,0,1]=3 816 B5R0.3 COC(=O)CS TS39888 [1,1,0,0,0,0|0,0,1]=3 817 B5R0.3 COC(=O)NN TS65196 [1,1,0,0,0,0|1,0,1]=4 818 B5R0.3 COC(=O)OC TS33240 [1,1,0,0,0,0|0,0,1]=3 819 B5R0.3 COC(=O)SCl TS36190 [1,1,0,0,0,0|1,0,1]=4 820 B5R0.3 COS(=O)OC TS31831 [1,1,0,0,0,0|1,0,1]=4 821 B5R0.3 CSC(=O)SC TS04928 [1,1,0,0,0,0|0,1,1]=4 822 B5R0.4 C=CP(=O)(O)O TS04128 [1,1,0,0,0,0|2,0,0]=4 823 B5R0.4 C=CS(=O)(=O)O TS31764 [1,1,0,0,0,0|2,0,0]=4 824 B5R0.4 C=CS(=O)(=O)[O-] TS36457 [1,1,0,0,0,0|2,0,0]=4 825 B5R0.4 CC(C)(C)C=C TS71723 [1,1,0,0,0,0|1,0,1]=4 826 B5R0.4 CC(C)(C=C)Cl TS04056 [1,1,0,0,0,0|1,0,1]=4 827 B5R0.4 CC(C)(C=C)O TS71761 [1,1,0,0,0,0|0,0,2]=4 828 B5R0.4 COP(=O)(C)O TS04178 [1,1,0,0,0,0|1,0,1]=4 829 B5R0.4 COS(=O)(=O)C TS31832 [1,1,0,0,0,0|1,0,1]=4 830 B5R0.4 CS(=O)(=O)C=C TS04093 [1,1,0,0,0,0|1,0,0]=3 831 B5R0.4 C[Si](C)(C)C=C TS03889 [1,1,0,0,0,0|1,1,0]=4 832 B5R0.4 C[Si](C)(C=C)F TS31688 [1,1,0,0,0,0|1,1,0]=4 833 B5R0.5 C(=O)(C(=O)Cl)Cl TS39922 [1,1,0,0,0,0|2,0,0]=4 834 B5R0.5 C(=O)(C(=O)F)F TS71886 [1,1,0,0,0,0|2,0,0]=4 835 B5R0.5 C(=O)(C(=O)N)N TS03568 [1,1,0,0,0,0|2,0,0]=4 836 B5R0.5 C(=O)(C(=O)O)N TS01624 [1,1,0,0,0,0|2,0,0]=4 837 B5R0.5 C(=O)(C(=O)O)O TS03614 [1,1,0,0,0,0|2,0,0]=4 838 B5R0.5 C(=O)(C(=O)O)O TS07631 [1,1,0,0,0,0|2,0,0]=4 839 B5R0.5 C(=O)(C(=O)O)O TS11826 [1,1,0,0,0,0|2,0,0]=4 840 B5R0.5 C(=O)(C(=O)O)O TS40816 [1,1,0,0,0,0|2,0,0]=4 841 B5R0.5 C(=O)(C(=O)O)O TS63351 [1,1,0,0,0,0|2,0,0]=4 842 B5R0.5 C(=O)(C(=O)[O-])N TS04229 [1,1,0,0,0,0|2,0,0]=4 843 B5R0.5 C(=O)(C(=O)[O-])N TS36215 [1,1,0,0,0,0|2,0,0]=4 844 B5R0.5 C(=O)(C(=O)[O-])O TS05512 [1,1,0,0,0,0|2,0,0]=4 845 B5R0.5 C(=O)(C(=O)[O-])O TS36266 [1,1,0,0,0,0|2,0,0]=4 846 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05006 [1,1,0,0,0,0|2,0,0]=4 847 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05857 [1,1,0,0,0,0|2,0,0]=4 848 B5R0.5 C(=O)(C(=O)[O-])[O-] TS06648 [1,1,0,0,0,0|2,0,0]=4 849 B5R0.5 C(=O)(C(=O)[O-])[O-] TS13762 [1,1,0,0,0,0|2,0,0]=4 850 B5R0.5 C(=O)(C(=O)[O-])[O-] TS14333 [1,1,0,0,0,0|2,0,0]=4 851 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15086 [1,1,0,0,0,0|2,0,0]=4 852 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15286 [1,1,0,0,0,0|2,0,0]=4 853 B5R0.5 C(=O)(C(=O)[O-])[O-] TS17741 [1,1,0,0,0,0|2,0,0]=4 854 B5R0.5 C(=O)(C(=O)[O-])[O-] TS20296 [1,1,0,0,0,0|2,0,0]=4 855 B5R0.5 C(=O)(C(=O)[O-])[O-] TS24300 [1,1,0,0,0,0|2,0,0]=4 856 B5R0.5 C(=O)(C(=O)[O-])[O-] TS31568 [1,1,0,0,0,0|2,0,0]=4 857 B5R0.5 C(=O)(C(=O)[O-])[O-] TS35772 [1,1,0,0,0,0|2,0,0]=4 858 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72048 [1,1,0,0,0,0|2,0,0]=4 859 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72503 [1,1,0,0,0,0|2,0,0]=4 860 B5R0.5 C(=O)(C(=O)[O-])[O-] TS73371 [1,1,0,0,0,0|2,0,0]=4 861 B5R0.5 C(=O)(C(=O)[O-])[O-] TS74979 [1,1,0,0,0,0|2,0,0]=4 862 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75113 [1,1,0,0,0,0|2,0,0]=4 863 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75293 [1,1,0,0,0,0|2,0,0]=4 864 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75342 [1,1,0,0,0,0|2,0,0]=4 865 B5R0.5 C(=O)(C(=O)[O-])[O-] TS78240 [1,1,0,0,0,0|2,0,0]=4 866 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83830 [1,1,0,0,0,0|2,0,0]=4 867 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83860 [1,1,0,0,0,0|2,0,0]=4 868 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83891 [1,1,0,0,0,0|2,0,0]=4 869 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84091 [1,1,0,0,0,0|2,0,0]=4 870 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84176 [1,1,0,0,0,0|2,0,0]=4 871 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84599 [1,1,0,0,0,0|2,0,0]=4 872 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84655 [1,1,0,0,0,0|2,0,0]=4 873 B5R0.5 C(=O)(C(=O)[O-])[O-] TS94729 [1,1,0,0,0,0|2,0,0]=4 874 B5R0.5 C=C(C(=O)Cl)F TS04157 [1,1,0,0,0,0|1,0,0]=3 875 B5R0.5 C=C(C(=O)O)Br TS40957 [1,1,0,0,0,0|1,0,0]=3 876 B5R0.5 C=C(C(=O)O)Cl TS31732 [1,1,0,0,0,0|1,0,0]=3 877 B5R0.5 C=C(C(=O)O)F TS03616 [1,1,0,0,0,0|1,0,0]=3 878 B5R0.5 C=C(C(=O)[O-])Cl TS36375 [1,1,0,0,0,0|1,0,0]=3 879 B5R0.5 CC(=C(C)Br)C TS07531 [1,1,0,0,0,0|1,0,1]=4 880 B5R0.5 CC(=C(C)C)C TS71721 [1,1,0,0,0,0|1,0,1]=4 881 B5R0.5 CC(=C(C)[NH3+])C TS04005 [1,1,0,0,0,0|1,0,1]=4 882 B5R0.5 CC(=C(Cl)Cl)Cl TS07132 [1,1,0,0,0,0|2,0,0]=4 883 B5R0.5 CC(=C)C(=C)C TS71685 [1,1,0,0,0,0|1,0,0]=3 884 B5R0.5 CC(=C)C(=O)C TS03485 [1,1,0,0,0,0|0,0,0]=2 885 B5R0.5 CC(=C)C(=O)Cl TS56226 [1,1,0,0,0,0|1,0,0]=3 886 B5R0.5 CC(=C)C(=O)F TS03570 [1,1,0,0,0,0|1,0,0]=3 887 B5R0.5 CC(=C)C(=O)N TS71737 [1,1,0,0,0,0|1,0,0]=3 888 B5R0.5 CC(=C)C(=O)O TS56224 [1,1,0,0,0,0|1,0,0]=3 889 B5R0.5 CC(=C)C(=O)[O-] TS03649 [1,1,0,0,0,0|1,0,0]=3 890 B5R0.5 CC(=C)C(=O)[O-] TS04134 [1,1,0,0,0,0|1,0,0]=3 891 B5R0.5 CC(=C)C(=O)[O-] TS17588 [1,1,0,0,0,0|1,0,0]=3 892 B5R0.5 CC(=C)C(=O)[O-] TS17954 [1,1,0,0,0,0|1,0,0]=3 893 B5R0.5 CC(=C)C(=O)[O-] TS20934 [1,1,0,0,0,0|1,0,0]=3 894 B5R0.5 CC(=C)C(=O)[O-] TS25799 [1,1,0,0,0,0|1,0,0]=3 895 B5R0.5 CC(=C)C(=O)[O-] TS35997 [1,1,0,0,0,0|1,0,0]=3 896 B5R0.5 CC(=C)C(=O)[O-] TS45223 [1,1,0,0,0,0|1,0,0]=3 897 B5R0.5 CC(=C)C(=O)[O-] TS60851 [1,1,0,0,0,0|1,0,0]=3 898 B5R0.5 CC(=C)C(=O)[O-] TS67081 [1,1,0,0,0,0|1,0,0]=3 899 B5R0.5 CC(=C)C(=O)[O-] TS68528 [1,1,0,0,0,0|1,0,0]=3 900 B5R0.5 CC(=C)C(=O)[O-] TS70135 [1,1,0,0,0,0|1,0,0]=3 901 B5R0.5 CC(=C)C(=O)[O-] TS78671 [1,1,0,0,0,0|1,0,0]=3 902 B5R0.5 CC(=C)[N+](=O)[O-] TS03555 [1,1,0,0,0,0|2,0,0]=4 903 B5R0.5 CC(=O)C(=O)C TS03530 [1,1,0,0,0,0|0,0,1]=3 904 B5R0.5 CC(=O)C(=O)O TS71795 [1,1,0,0,0,0|1,0,0]=3 905 B5R0.5 CC(=O)C(=O)[O-] TS04176 [1,1,0,0,0,0|1,0,0]=3 906 B5R0.5 CC(=O)C(=O)[O-] TS36114 [1,1,0,0,0,0|1,0,0]=3 907 B5R0.5 CC(=O)C(=O)[O-] TS44476 [1,1,0,0,0,0|1,0,0]=3 908 B5R0.5 CC(=O)C(=O)[O-] TS71885 [1,1,0,0,0,0|1,0,0]=3 909 B5R0.5 CC(=O)C(Cl)Cl TS36198 [1,1,0,0,0,0|1,0,1]=4 910 B5R0.5 CC(=O)C(F)F TS03662 [1,1,0,0,0,0|1,0,1]=4 911 B5R0.5 CC(=O)C(O)O TS46028 [1,1,0,0,0,0|1,0,1]=4 912 B5R0.5 CC(=O)N(C)C TS03557 [1,1,0,0,0,0|1,0,1]=4 913 B5R0.5 CC(C(=C)C)O TS71758 [1,1,0,0,0,0|0,0,2]=4 914 B5R0.5 CC(C(=O)C)Br TS40972 [1,1,0,0,0,0|0,0,2]=4 915 B5R0.5 CC(C(=O)C)Cl TS31738 [1,1,0,0,0,0|0,0,2]=4 916 B5R0.5 CC(C(=O)C)F TS71828 [1,1,0,0,0,0|0,0,2]=4 917 B5R0.5 CC(C(=O)C)O TS03581 [1,1,0,0,0,0|0,0,2]=4 918 B5R0.5 CC(C(=O)C)S TS60015 [1,1,0,0,0,0|0,0,2]=4 919 B5R0.5 CC(C)C(=C)C TS71720 [1,1,0,0,0,0|1,0,1]=4 920 B5R0.5 CC(C)C(=O)C TS39716 [1,1,0,0,0,0|0,0,2]=4 921 B5R0.2 C(=O)NNC=O TS03566 [1,1,0,0,0,0|2,0,0]=4 922 B5R0.2 C(C#N)OC=O TS71729 [1,1,0,0,0,0|0,0,2]=4 923 B5R0.2 C(CC=O)C=O TS03527 [1,1,0,0,0,0|1,0,1]=4 924 B5R0.2 C(CC=O)C=O TS58456 [1,1,0,0,0,0|1,0,1]=4 925 B5R0.2 C=CC=CC=C TS71670 [1,1,0,0,0,0|1,0,1]=4 926 B5R0.2 C=CCCC=C TS39876 [1,1,0,0,0,0|1,0,1]=4 927 B5R0.2 C=CCCC=O TS03486 [1,1,0,0,0,0|1,0,0]=3 928 B5R0.2 C=CCCCBr TS71399 [1,1,0,0,0,0|1,0,1]=4 929 B5R0.2 C=CCCCCl TS04057 [1,1,0,0,0,0|1,0,1]=4 930 B5R0.2 C=CCCCN TS03513 [1,1,0,0,0,0|1,0,1]=4 931 B5R0.2 C=CCCCN TS04880 [1,1,0,0,0,0|1,0,1]=4 932 B5R0.2 C=CCCCO TS33172 [1,1,0,0,0,0|1,0,1]=4 933 B5R0.2 C=CCCC[Zn+] TS44589 [1,1,0,0,0,0|1,0,1]=4 934 B5R0.2 C=CCNC=O TS03504 [1,1,0,0,0,0|1,0,0]=3 935 B5R0.2 C=CCOC=C TS03491 [1,1,0,0,0,0|0,0,1]=3 936 B5R0.2 C=CCOC=O TS71740 [1,1,0,0,0,0|0,0,0]=2 937 B5R0.2 C=COCCO TS03575 [1,1,0,0,0,0|0,0,1]=3 938 B5R0.2 CC#CCC=C TS71671 [1,1,0,0,0,0|1,0,1]=4 939 B5R0.2 CC=CC=CC TS71681 [1,1,0,0,0,0|1,0,0]=3 940 B5R0.2 CC=CC=CC TS71684 [1,1,0,0,0,0|1,0,0]=3 941 B5R0.2 CCC#CC=C TS71669 [1,1,0,0,0,0|1,0,1]=4 942 B5R0.2 CCC=CC=C TS03467 [1,1,0,0,0,0|1,0,0]=3 943 B5R0.2 CCC=CC=O TS03498 [1,1,0,0,0,0|1,0,1]=4 944 B5R0.2 CCCCC=C TS71713 [1,1,0,0,0,0|1,0,1]=4 945 B5R0.2 CCCOC=C TS29507 [1,1,0,0,0,0|0,0,1]=3 946 B5R0.2 CCCOC=O TS03584 [1,1,0,0,0,0|0,0,2]=4 947 B5R0.2 CCOC=CBr TS40963 [1,1,0,0,0,0|0,0,1]=3 948 B5R0.2 CCOC=CC TS71751 [1,1,0,0,0,0|0,0,1]=3 949 B5R0.2 CCOCC=C TS71744 [1,1,0,0,0,0|0,0,1]=3 950 B5R0.2 CCSCC=C TS03981 [1,1,0,0,0,0|0,1,1]=4 951 B5R0.2 COC=CC=O TS71739 [1,1,0,0,0,0|1,0,1]=4 952 B5R0.2 CSSCC=C TS32437 [1,1,0,0,0,0|1,1,0]=4 953 B7R0.2 CC(=CC(=O)C)NC TS04388 [0,2,0,0,0,0|1,0,1]=4 954 B7R0.2 CC(=CC(=O)C)O[Ir] TS78858 [0,2,0,0,0,0|1,0,1]=4 955 B7R0.2 CC(=CC(=O)C)O[Tl] TS74884 [0,2,0,0,0,0|1,0,1]=4 956 B7R0.2 CC(=CC(=O)OC)C TS08562 [0,2,0,0,0,0|1,0,1]=4 957 B7R0.2 CC(=CC(=O)OC)N TS08575 [0,2,0,0,0,0|1,0,1]=4 958 B7R0.2 CC(=O)CC(=O)NC TS04520 [0,2,0,0,0,0|1,0,1]=4 959 B7R0.2 CC(=O)CC(=O)OC TS32187 [0,2,0,0,0,0|1,0,1]=4 960 B7R0.2 CC(=O)NC(=O)CN TS32199 [0,2,0,0,0,0|1,0,1]=4 961 B7R0.2 CC(=O)NC(=O)NC TS32196 [0,2,0,0,0,0|1,0,1]=4 962 B7R0.2 CC(=O)OC(=C)C#N TS04238 [0,2,0,0,0,0|0,0,0]=2 963 B7R0.2 CC(=O)OC(CBr)Br TS27398 [0,2,0,0,0,0|0,0,2]=4 964 B7R0.2 CC(C)OC(=O)C=C TS32061 [0,2,0,0,0,0|1,0,1]=4 965 B7R0.2 CC(C)OC(=O)CCl TS37073 [0,2,0,0,0,0|0,0,2]=4 966 B7R0.2 CC(C)OC(=O)CN TS41311 [0,2,0,0,0,0|0,0,2]=4 967 B7R0.2 CC(C)OC(=O)CO TS32323 [0,2,0,0,0,0|0,0,2]=4 968 B7R0.2 CC(C)OC(=O)CS TS05924 [0,2,0,0,0,0|0,0,2]=4 969 B7R0.2 CCC(=O)CC(=O)C TS00653 [0,2,0,0,0,0|1,0,1]=4 970 B7R0.2 CCC(C)OC(=O)C TS32210 [0,2,0,0,0,0|0,0,2]=4 971 B7R0.2 CNC(=O)CC(=S)N TS05754 [0,2,0,0,0,0|2,0,0]=4 972 B7R0.2 COC(=O)CC(=O)[O-] TS04695 [0,2,0,0,0,0|2,0,0]=4 973 B7R0.2 COC(=O)NC(=O)N TS04702 [0,2,0,0,0,0|2,0,0]=4 974 B7R0.3 C(C=CC(=O)CCl)N TS64929 [0,2,0,0,0,0|1,0,1]=4 975 B7R0.3 C=CCNC(=O)C=C TS31871 [0,2,0,0,0,0|1,0,1]=4 976 B7R0.3 C=CCOC(=O)C=C TS31905 [0,2,0,0,0,0|0,0,1]=3 977 B7R0.3 C=CCOC(=O)CCl TS05941 [0,2,0,0,0,0|0,0,0]=2 978 B7R0.3 CCC(=CCC=C)C TS04221 [0,2,0,0,0,0|2,0,0]=4 979 B7R0.3 CCC(=O)OCC#C TS31921 [0,2,0,0,0,0|0,0,2]=4 980 B7R0.3 CCC(=O)OCC=C TS04450 [0,2,0,0,0,0|0,0,0]=2 981 B7R0.3 CCC(=S)OCC=C TS05577 [0,2,0,0,0,0|0,1,0]=3 982 B7R0.3 CCC=CC(=O)OC TS56262 [0,2,0,0,0,0|1,0,1]=4 983 B7R0.3 CCCOC(=O)CCl TS06137 [0,2,0,0,0,0|0,0,2]=4 984 B7R0.3 CCCOC(=O)CN TS41315 [0,2,0,0,0,0|0,0,2]=4 985 B7R0.3 CCCOC(=O)OC TS32321 [0,2,0,0,0,0|0,0,2]=4 986 B7R0.3 CCOC=C(C)C=O TS04427 [0,2,0,0,0,0|0,0,2]=4 987 B7R0.3 COC(=O)C=CC=C TS31908 [0,2,0,0,0,0|1,0,0]=3 988 B7R0.3 COC(=O)C=CC=O TS04424 [0,2,0,0,0,0|1,0,0]=3 989 B7R0.3 COC(=O)C=CCBr TS47660 [0,2,0,0,0,0|1,0,1]=4 990 B7R0.3 COC(=O)C=CCBr TS93086 [0,2,0,0,0,0|1,0,1]=4 991 B7R0.3 COC(=O)CCC=O TS02246 [0,2,0,0,0,0|1,0,1]=4 992 B7R0.3 COC(=O)CNC=O TS32271 [0,2,0,0,0,0|2,0,0]=4 993 B7R0.3 COC(=O)OCC=C TS94827 [0,2,0,0,0,0|0,0,0]=2 994 B7R0.3 COC=CC(=O)OC TS32188 [0,2,0,0,0,0|1,0,1]=4 995 B7R0.5 C=CCC(C(=O)O)N TS22958 [0,2,0,0,0,0|2,0,0]=4 996 B7R0.5 C=CC[C@@H](C(=O)O)N TS59542 [0,2,0,0,0,0|2,0,0]=4 997 B7R0.5 C=CC[C@H](C(=O)O)N TS01416 [0,2,0,0,0,0|2,0,0]=4 998 B7R0.5 C=CC[C@H](C(=O)O)N TS41064 [0,2,0,0,0,0|2,0,0]=4 999 B7R0.5 CC(=C)C(=O)OC=C TS31917 [0,2,0,0,0,0|0,0,0]=2 1000 B7R0.5 CC(CC=C)C(=O)O TS04437 [0,2,0,0,0,0|1,0,1]=4 1001 B7R0.5 CCOC(=O)C(=C)C TS00098 [0,2,0,0,0,0|0,0,2]=4 1002 B7R0.5 CCOC(=O)C(=O)C TS01478 [0,2,0,0,0,0|0,0,2]=4 1003 B7R0.5 CCOC(=O)C(Br)Br TS27397 [0,2,0,0,0,0|0,0,2]=4 1004 B7R0.5 CCOC(=O)C(C)Br TS55906 [0,2,0,0,0,0|0,0,2]=4 1005 B7R0.5 CCOC(=O)C(C)C TS32217 [0,2,0,0,0,0|0,0,2]=4 1006 B7R0.5 CCOC(=O)C(C)Cl TS55916 [0,2,0,0,0,0|0,0,2]=4 1007 B7R0.5 CCOC(=O)C(C)F TS32420 [0,2,0,0,0,0|0,0,2]=4 1008 B7R0.5 CCOC(=O)C(C)N TS55877 [0,2,0,0,0,0|0,0,2]=4 1009 B7R0.5 CCOC(=O)C(C)O TS04714 [0,2,0,0,0,0|0,0,2]=4 1010 B7R0.5 CCOC(=O)C(C)S TS05920 [0,2,0,0,0,0|0,0,2]=4 1011 B7R0.5 CCOC(=O)C(Cl)Cl TS10814 [0,2,0,0,0,0|0,0,2]=4 1012 B7R0.5 CCOC(=O)C(F)Br TS15410 [0,2,0,0,0,0|0,0,2]=4 1013 B7R0.5 CCOC(=O)C(F)Cl TS37443 [0,2,0,0,0,0|0,0,2]=4 1014 B7R0.5 CCOC(=O)C(F)F TS39847 [0,2,0,0,0,0|0,0,2]=4 1015 B7R0.5 CCOC(=O)C(F)I TS53245 [0,2,0,0,0,0|0,0,2]=4 1016 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [0,2,0,0,0,0|0,0,2]=4 1017 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [0,2,0,0,0,0|0,0,2]=4 1018 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [0,2,0,0,0,0|0,0,2]=4 1019 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [0,2,0,0,0,0|0,0,2]=4 1020 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [0,2,0,0,0,0|0,0,2]=4 1021 B7R0.7 C(OC(=O)OCCl)Cl TS42012 [0,2,0,0,0,0|1,0,1]=4 1022 B7R0.7 CC=CC(=O)OC=C TS31901 [0,2,0,0,0,0|0,0,0]=2 1023 B7R0.7 CCCC(=O)OC=C TS04453 [0,2,0,0,0,0|0,0,0]=2 1024 B7R0.7 CCCC(=O)OCC TS32219 [0,2,0,0,0,0|0,0,2]=4 1025 B7R0.7 CCCC(=O)OCCl TS55810 [0,2,0,0,0,0|1,0,1]=4 1026 B7R0.7 CCNC(=O)OCC TS04671 [0,2,0,0,0,0|0,0,2]=4 1027 B7R0.7 CCOC(=O)C#CC TS08727 [0,2,0,0,0,0|0,0,2]=4 1028 B7R0.7 CCOC(=O)C=CC TS04436 [0,2,0,0,0,0|0,0,2]=4 1029 B7R0.7 CCOC(=O)C=CI TS52258 [0,2,0,0,0,0|2,0,0]=4 1030 B7R0.7 CCOC(=O)CC#C TS31911 [0,2,0,0,0,0|0,0,2]=4 1031 B7R0.7 CCOC(=O)CC#N TS32007 [0,2,0,0,0,0|0,0,2]=4 1032 B7R0.7 CCOC(=O)CC=C TS04444 [0,2,0,0,0,0|1,0,0]=3 1033 B7R0.7 CCOC(=O)CCBr TS08511 [0,2,0,0,0,0|0,0,2]=4 1034 B7R0.7 CCOC(=O)CCCl TS66003 [0,2,0,0,0,0|0,0,2]=4 1035 B7R0.7 CCOC(=O)CCI TS56139 [0,2,0,0,0,0|0,0,2]=4 1036 B7R0.7 CCOC(=O)CCN TS01886 [0,2,0,0,0,0|0,0,2]=4 1037 B7R0.7 CCOC(=O)CCN TS04667 [0,2,0,0,0,0|0,0,2]=4 1038 B7R0.7 CCOC(=O)CCS TS05923 [0,2,0,0,0,0|0,0,2]=4 1039 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [0,2,0,0,0,0|0,0,2]=4 1040 B7R0.7 CCOC(=O)CNC TS01479 [0,2,0,0,0,0|0,0,2]=4 1041 B7R0.7 CCOC(=O)CNN TS56149 [0,2,0,0,0,0|0,0,2]=4 1042 B7R0.7 CCOC(=O)COC TS32327 [0,2,0,0,0,0|0,0,2]=4 1043 B7R0.7 CCOC(=O)CSC TS05917 [0,2,0,0,0,0|0,0,2]=4 1044 B7R0.7 CCOC(=O)C[N+]#[C-] TS01459 [0,2,0,0,0,0|0,0,2]=4 1045 B7R0.7 CCOC(=O)NOC TS32378 [0,2,0,0,0,0|0,0,2]=4 1046 B7R0.7 CCOC(=O)OCC TS32315 [0,2,0,0,0,0|0,0,2]=4 1047 B7R0.7 CCOC(=O)OCCl TS37245 [0,2,0,0,0,0|0,0,2]=4 1048 B7R0.10 CC=C(C(=O)OC)Br TS47656 [0,2,0,0,0,0|1,0,1]=4 1049 B7R0.10 CC=C(C)C(=O)OC TS32064 [0,2,0,0,0,0|1,0,1]=4 1050 B7R0.10 CC=C(C)C(=O)OC TS32066 [0,2,0,0,0,0|1,0,1]=4 1051 B7R0.10 COC(=O)C(C=C)O TS32185 [0,2,0,0,0,0|1,0,0]=3 1052 B7R0.11 CC(C)(CC=C)C=O TS31951 [0,2,0,0,0,0|1,0,1]=4 1053 B7R0.9 CC(=C)O[Si](C)(C)C TS05621 [0,2,0,0,0,0|1,1,0]=4 1054 B7R0.9 CC(=O)OC(C)(C)C TS33213 [0,2,0,0,0,0|0,0,2]=4 1055 B7R0.9 CC(=O)OP(=O)([O-])[O-] TS10103 [0,2,0,0,0,0|2,0,0]=4 1056 B7R0.9 CC(=O)OP(=O)([O-])[O-] TS15216 [0,2,0,0,0,0|2,0,0]=4 1057 B7R0.9 CC(=O)O[Si](C)(C)C TS05784 [0,2,0,0,0,0|0,1,1]=4 1058 B7R0.16 CC(=O)N(C)C(=O)C TS04528 [0,2,0,0,0,0|1,0,1]=4 1059 B7R0.16 CC(C(=O)C)C(=O)C TS32068 [0,2,0,0,0,0|1,0,1]=4 1060 B7R0.13 CC(=C)C(C)(C)C=C TS31854 [0,2,0,0,0,0|2,0,0]=4 1061 B7R0.15 CC(=O)N(C=O)C=O TS32145 [0,2,0,0,0,0|2,0,0]=4 1062 B7R0.4 C=CCCCC(=O)O TS04449 [0,2,0,0,0,0|2,0,0]=4 1063 B7R0.4 C=CCNCC(=O)O TS41063 [0,2,0,0,0,0|2,0,0]=4 1064 B7R0.4 CC#CCOC(=O)C TS31919 [0,2,0,0,0,0|0,0,2]=4 1065 B7R0.4 CC(=CCCC=C)C TS31846 [0,2,0,0,0,0|2,0,0]=4 1066 B7R0.4 CC(=CCOC=O)C TS04439 [0,2,0,0,0,0|2,0,0]=4 1067 B7R0.4 CC(=O)OC=CC=C TS31913 [0,2,0,0,0,0|0,0,0]=2 1068 B7R0.4 CC(=O)OCCC#C TS31899 [0,2,0,0,0,0|0,0,2]=4 1069 B7R0.4 CC(=O)OCCC=C TS04442 [0,2,0,0,0,0|0,0,0]=2 1070 B7R0.4 CC(=O)OCCCCl TS06130 [0,2,0,0,0,0|0,0,2]=4 1071 B7R0.4 CC(=O)OCCOC TS32328 [0,2,0,0,0,0|0,0,2]=4 1072 B7R0.4 CC=CC=CC(=O)C TS31841 [0,2,0,0,0,0|1,0,0]=3 1073 B7R0.4 CC=CC=CC(=O)O TS31914 [0,2,0,0,0,0|2,0,0]=4 1074 B7R0.4 CC=CC=CC(=O)[O-] TS09910 [0,2,0,0,0,0|2,0,0]=4 1075 B7R0.4 CC=CC=CC(=O)[O-] TS29798 [0,2,0,0,0,0|2,0,0]=4 1076 B7R0.4 CC=CCCC(=C)C TS04225 [0,2,0,0,0,0|2,0,0]=4 1077 B7R0.4 CCC=CCC(=O)O TS04425 [0,2,0,0,0,0|2,0,0]=4 1078 B7R0.4 CCCC=CC(=O)C TS31936 [0,2,0,0,0,0|1,0,1]=4 1079 B7R0.4 CCCCOC(=O)C TS32218 [0,2,0,0,0,0|0,0,2]=4 1080 B7R0.4 CCOCCC(=O)C TS04589 [0,2,0,0,0,0|0,0,2]=4 1081 B7R0.6 C(=CC(=O)Cl)C(=O)Cl TS10262 [0,2,0,0,0,0|2,0,0]=4 1082 B7R0.6 C(=CC(=O)N)C(=O)N TS32051 [0,2,0,0,0,0|2,0,0]=4 1083 B7R0.6 C(=CC(=O)N)C(=O)N TS32053 [0,2,0,0,0,0|2,0,0]=4 1084 B7R0.6 C(=CC(=O)O)C(=O)N TS32144 [0,2,0,0,0,0|2,0,0]=4 1085 B7R0.6 C(=CC(=O)O)C(=O)O TS32176 [0,2,0,0,0,0|2,0,0]=4 1086 B7R0.6 C(=CC(=O)[O-])C(=O)O TS37153 [0,2,0,0,0,0|2,0,0]=4 1087 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS10402 [0,2,0,0,0,0|2,0,0]=4 1088 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS37241 [0,2,0,0,0,0|2,0,0]=4 1089 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS42103 [0,2,0,0,0,0|2,0,0]=4 1090 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS46372 [0,2,0,0,0,0|2,0,0]=4 1091 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS47787 [0,2,0,0,0,0|2,0,0]=4 1092 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS51492 [0,2,0,0,0,0|2,0,0]=4 1093 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS94691 [0,2,0,0,0,0|2,0,0]=4 1094 B7R0.6 CC(=C)CCC(=O)C TS04310 [0,2,0,0,0,0|1,0,0]=3 1095 B7R0.6 CC(=C)COC(=O)C TS04432 [0,2,0,0,0,0|0,0,0]=2 1096 B7R0.6 CC(=CC=C(C)C)C TS47272 [0,2,0,0,0,0|2,0,0]=4 1097 B7R0.6 CC(=CC=C(Cl)Cl)C TS09984 [0,2,0,0,0,0|2,0,0]=4 1098 B7R0.6 CC(=CCC(=O)O)C TS04452 [0,2,0,0,0,0|2,0,0]=4 1099 B7R0.6 CC(=NNC(=O)C)C TS32085 [0,2,0,0,0,0|1,0,1]=4 1100 B7R0.6 CC(=O)C=CC(=O)O TS32041 [0,2,0,0,0,0|1,0,0]=3 1101 B7R0.6 CC(=O)CCC(=O)C TS00680 [0,2,0,0,0,0|1,0,1]=4 1102 B7R0.6 CC(=O)CCC(=O)O TS64917 [0,2,0,0,0,0|1,0,1]=4 1103 B7R0.6 CC(=O)CNC(=O)C TS01998 [0,2,0,0,0,0|1,0,1]=4 1104 B7R0.6 CC(=O)COC(=O)C TS32186 [0,2,0,0,0,0|0,0,1]=3 1105 B7R0.6 CC(=O)NCC(=O)O TS33214 [0,2,0,0,0,0|1,0,1]=4 1106 B7R0.6 CC(=O)NNC(=O)C TS32201 [0,2,0,0,0,0|1,0,1]=4 1107 B7R0.6 CC(=O)NNC(=S)N TS05830 [0,2,0,0,0,0|2,0,0]=4 1108 B7R0.6 CC(=O)OCC(=O)Cl TS37071 [0,2,0,0,0,0|0,0,1]=3 1109 B7R0.6 CC(=O)OCC(=O)O TS04693 [0,2,0,0,0,0|0,0,1]=3 1110 B7R0.6 CC(=O)OCC(F)F TS05005 [0,2,0,0,0,0|0,0,2]=4 1111 B7R0.6 CC(=O)OOC(=O)C TS04696 [0,2,0,0,0,0|0,0,1]=3 1112 B7R0.6 CC(=O)SSC(=O)C TS09930 [0,2,0,0,0,0|0,1,1]=4 1113 B7R0.6 CC(C)C=CC(=O)C TS01150 [0,2,0,0,0,0|1,0,1]=4 1114 B7R0.6 CC(C)COC(=O)C TS04598 [0,2,0,0,0,0|0,0,2]=4 1115 B7R0.6 CC(COC(=O)C)O TS32324 [0,2,0,0,0,0|0,0,2]=4 1116 B7R0.8 C[Si](C)(C)OCC=C TS36558 [0,2,0,0,0,0|1,1,0]=4 1117 B5R1.2 C1C(=O)CN1 TS03373 [1,0,0,1,0,0|1,0,1]=4 1118 B5R1.2 C1C(=O)CN1 TS46446 [1,0,0,1,0,0|1,0,1]=4 1119 B5R1.2 C1C(=O)CO1 TS70694 [1,0,0,1,0,0|1,0,1]=4 1120 B5R1.2 C1C(=O)CS1 TS90454 [1,0,0,1,0,0|1,0,1]=4 1121 B5R1.2 C1CC(=O)C1 TS01399 [1,0,0,1,0,0|0,0,2]=4 1122 B5R1.2 C1CNC1=O TS55052 [1,0,0,1,0,0|1,0,1]=4 1123 B5R1.2 C1COC1=O TS71591 [1,0,0,1,0,0|0,0,1]=3 1124 B5R1.3 C=CC1CC1 TS02996 [1,0,0,1,0,0|1,0,1]=4 1125 B5R1.1 C1C=CC=C1 TS02712 [1,0,0,1,0,0|1,0,0]=3 1126 B5R1.1 C1C=CCN1 TS03158 [1,0,0,1,0,0|2,0,0]=4 1127 B5R1.1 C1C=CCO1 TS47265 [1,0,0,1,0,0|2,0,0]=4 1128 B5R1.1 C1C=CC[SiH2]1 TS71724 [1,0,0,1,0,0|1,1,0]=4 1129 B5R1.1 C1CC=CC1 TS70869 [1,0,0,1,0,0|1,0,1]=4 1130 B5R1.1 C1COC=C1 TS07898 [1,0,0,1,0,0|0,0,1]=3 1131 B5R1.1 C1COC=N1 TS03370 [1,0,0,1,0,0|1,0,1]=4 1132 B5R1.1 [cH-]1cccc1 TS03571 [1,0,0,1,0,0|1,0,1]=4 1133 B5R1.1 [cH-]1cccc1 TS16106 [1,0,0,1,0,0|1,0,1]=4 1134 B5R1.1 [cH-]1cccc1 TS27849 [1,0,0,1,0,0|1,0,1]=4 1135 B5R1.1 [cH-]1cccc1 TS48823 [1,0,0,1,0,0|1,0,1]=4 1136 B5R1.1 [cH-]1cccc1 TS53175 [1,0,0,1,0,0|1,0,1]=4 1137 B5R1.1 [cH-]1cccc1 TS58447 [1,0,0,1,0,0|1,0,1]=4 1138 B5R1.1 c1cc[nH]c1 TS39606 [1,0,0,1,0,0|1,0,1]=4 1139 B5R1.1 c1ccoc1 TS70860 [1,0,0,1,0,0|0,0,1]=3 1140 B5R1.1 c1ccsc1 TS00282 [1,0,0,1,0,0|0,1,1]=4 1141 B5R1.1 c1cnc[nH]1 TS04054 [1,0,0,1,0,0|2,0,0]=4 1142 B5R1.1 c1cnc[nH]1 TS74504 [1,0,0,1,0,0|2,0,0]=4 1143 B5R1.1 c1cnoc1 TS56202 [1,0,0,1,0,0|1,0,1]=4 1144 B5R1.1 c1cocn1 TS03082 [1,0,0,1,0,0|1,0,0]=3 1145 B5R1.1 c1cscn1 TS01819 [1,0,0,1,0,0|1,1,0]=4 1146 B7R1.1 CCc1[nH]ccn1 TS31379 [0,1,0,1,0,0|2,0,0]=4 1147 B7R1.1 CCc1ccc[nH]1 TS03700 [0,1,0,1,0,0|2,0,0]=4 1148 B7R1.1 CCc1ccco1 TS31365 [0,1,0,1,0,0|1,0,0]=3 1149 B7R1.1 CCc1cccs1 TS04335 [0,1,0,1,0,0|1,1,0]=4 1150 B7R1.1 CCc1nccs1 TS32027 [0,1,0,1,0,0|1,1,0]=4 1151 B7R1.1 CNc1cnco1 TS01626 [0,1,0,1,0,0|2,0,0]=4 1152 B7R1.1 CNc1ncco1 TS05943 [0,1,0,1,0,0|1,0,0]=3 1153 B7R1.1 COc1ccco1 TS03757 [0,1,0,1,0,0|1,0,0]=3 1154 B7R1.1 COc1cccs1 TS39279 [0,1,0,1,0,0|1,1,0]=4 1155 B7R1.1 CSc1cccs1 TS05614 [0,1,0,1,0,0|1,1,0]=4 1156 B7R1.1 CSc1nccs1 TS36627 [0,1,0,1,0,0|1,1,0]=4 1157 B7R1.1 c1c(ocn1)C=O TS01172 [0,1,0,1,0,0|1,0,1]=4 1158 B7R1.1 c1c(ocn1)CBr TS42378 [0,1,0,1,0,0|2,0,0]=4 1159 B7R1.1 c1c(ocn1)CCl TS32309 [0,1,0,1,0,0|2,0,0]=4 1160 B7R1.1 c1c(ocn1)CO TS91185 [0,1,0,1,0,0|2,0,0]=4 1161 B7R1.1 c1cc([nH]c1)C=O TS01672 [0,1,0,1,0,0|1,0,1]=4 1162 B7R1.1 c1cc([nH]c1)CN TS31377 [0,1,0,1,0,0|2,0,0]=4 1163 B7R1.1 c1cc(oc1)C#N TS71874 [0,1,0,1,0,0|1,0,1]=4 1164 B7R1.1 c1cc(oc1)C=O TS03712 [0,1,0,1,0,0|0,0,1]=3 1165 B7R1.1 c1cc(oc1)CN TS03749 [0,1,0,1,0,0|1,0,0]=3 1166 B7R1.1 c1cc(oc1)CO TS03766 [0,1,0,1,0,0|1,0,0]=3 1167 B7R1.1 c1cc(oc1)CS TS32087 [0,1,0,1,0,0|1,0,0]=3 1168 B7R1.1 c1cc(sc1)C=O TS65660 [0,1,0,1,0,0|0,1,1]=4 1169 B7R1.1 c1cc(sc1)CCl TS01778 [0,1,0,1,0,0|1,1,0]=4 1170 B7R1.1 c1cc(sc1)CN TS65663 [0,1,0,1,0,0|1,1,0]=4 1171 B7R1.1 c1cc(sc1)CO TS32088 [0,1,0,1,0,0|1,1,0]=4 1172 B7R1.1 c1cc(sc1)CS TS05613 [0,1,0,1,0,0|1,1,0]=4 1173 B7R1.1 c1cnc([nH]1)C=O TS77140 [0,1,0,1,0,0|2,0,0]=4 1174 B7R1.1 c1cnc([nH]1)CCl TS10266 [0,1,0,1,0,0|2,0,0]=4 1175 B7R1.1 c1cnc([nH]1)CN TS88455 [0,1,0,1,0,0|2,0,0]=4 1176 B7R1.1 c1cnc([nH]1)CO TS03774 [0,1,0,1,0,0|2,0,0]=4 1177 B7R1.1 c1cnc([nH]1)CO TS05944 [0,1,0,1,0,0|2,0,0]=4 1178 B7R1.1 c1cnoc1C=O TS03746 [0,1,0,1,0,0|1,0,1]=4 1179 B7R1.1 c1cnoc1CN TS01391 [0,1,0,1,0,0|2,0,0]=4 1180 B7R1.1 c1cnoc1CN TS56201 [0,1,0,1,0,0|2,0,0]=4 1181 B7R1.1 c1cnoc1CO TS31470 [0,1,0,1,0,0|2,0,0]=4 1182 B7R1.1 c1coc(n1)C=O TS09404 [0,1,0,1,0,0|1,0,0]=3 1183 B7R1.1 c1coc(n1)CCl TS55279 [0,1,0,1,0,0|1,0,0]=3 1184 B7R1.1 c1coc(n1)CO TS89980 [0,1,0,1,0,0|1,0,0]=3 1185 B7R1.1 c1csc(n1)C=O TS19605 [0,1,0,1,0,0|1,1,0]=4 1186 B7R1.1 c1csc(n1)C=O TS65653 [0,1,0,1,0,0|1,1,0]=4 1187 B7R1.1 c1csc(n1)CCl TS55280 [0,1,0,1,0,0|1,1,0]=4 1188 B7R1.1 c1csc(n1)CN TS04455 [0,1,0,1,0,0|1,1,0]=4 1189 B7R1.1 c1csc(n1)CN TS09110 [0,1,0,1,0,0|1,1,0]=4 1190 B7R1.1 c1csc(n1)CO TS01720 [0,1,0,1,0,0|1,1,0]=4 1191 B7R1.1 c1nnc(o1)C=O TS03752 [0,1,0,1,0,0|2,0,0]=4 1192 B7R1.1 c1nnc(o1)CN TS03809 [0,1,0,1,0,0|2,0,0]=4 1193 B7R1.2 C1=CC(=O)NC1=O TS56220 [0,1,0,1,0,0|1,0,1]=4 1194 B7R1.2 C1=CC(=O)OC1=O TS03751 [0,1,0,1,0,0|0,0,1]=3 1195 B7R1.2 C1C(=O)C=C(N1)O TS31463 [0,1,0,1,0,0|2,0,0]=4 1196 B7R1.2 C1C(=O)NC(=N1)N TS65022 [0,1,0,1,0,0|2,0,0]=4 1197 B7R1.2 C1C(=O)NC(=O)N1 TS39884 [0,1,0,1,0,0|2,0,0]=4 1198 B7R1.2 C1C(=O)NC(=O)N1 TS40408 [0,1,0,1,0,0|2,0,0]=4 1199 B7R1.2 C1C(=O)NC(=O)O1 TS31533 [0,1,0,1,0,0|1,0,1]=4 1200 B7R1.2 C1C(=O)NC(=O)S1 TS00655 [0,1,0,1,0,0|2,0,0]=4 1201 B7R1.2 C1C(=O)NC(=S)N1 TS04577 [0,1,0,1,0,0|2,0,0]=4 1202 B7R1.2 C1C(=O)NC(=S)S1 TS36781 [0,1,0,1,0,0|2,0,0]=4 1203 B7R1.2 C1C(=O)OC(=O)N1 TS03898 [0,1,0,1,0,0|1,0,0]=3 1204 B7R1.2 C1C(COC1=O)O TS31581 [0,1,0,1,0,0|0,0,2]=4 1205 B7R1.2 C1C(OC(=O)O1)Cl TS39329 [0,1,0,1,0,0|1,0,1]=4 1206 B7R1.2 C1C(OC(=O)O1)F TS31724 [0,1,0,1,0,0|1,0,1]=4 1207 B7R1.2 C1CC(=O)CC1=O TS46791 [0,1,0,1,0,0|1,0,1]=4 1208 B7R1.2 C1CC(=O)NC1=O TS31467 [0,1,0,1,0,0|1,0,1]=4 1209 B7R1.2 C1CC(=O)OC1=O TS31489 [0,1,0,1,0,0|0,0,1]=3 1210 B7R1.2 C1[C@@H](COC1=O)N TS37130 [0,1,0,1,0,0|0,0,2]=4 1211 B7R1.2 C1[C@@H](COC1=O)O TS33101 [0,1,0,1,0,0|0,0,2]=4 1212 B7R1.2 C1[C@H](C=CC1=O)O TS03770 [0,1,0,1,0,0|1,0,1]=4 1213 B7R1.2 C1[C@H](COC1=O)O TS46585 [0,1,0,1,0,0|0,0,2]=4 1214 B7R1.2 C=C1CCC(=O)O1 TS03758 [0,1,0,1,0,0|0,0,0]=2 1215 B7R1.2 CC1=CC(=O)CC1 TS60019 [0,1,0,1,0,0|1,0,1]=4 1216 B7R1.2 CC1=CC(=O)OC1 TS03763 [0,1,0,1,0,0|0,0,2]=4 1217 B7R1.2 CC1=CCC(=O)O1 TS03764 [0,1,0,1,0,0|0,0,0]=2 1218 B7R1.2 CC1=NNC(=O)C1 TS93059 [0,1,0,1,0,0|1,0,1]=4 1219 B7R1.2 CC1=NOC(=O)C1 TS15601 [0,1,0,1,0,0|0,0,1]=3 1220 B7R1.2 CC1COC(=O)O1 TS08062 [0,1,0,1,0,0|0,0,2]=4 1221 B7R1.2 CC1COC(=O)O1 TS93060 [0,1,0,1,0,0|0,0,2]=4 1222 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [0,1,0,1,0,0|0,0,2]=4 1223 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [0,1,0,1,0,0|0,0,2]=4 1224 B7R1.2 Cc1[nH]cc(n1)Br TS70962 [0,1,0,1,0,0|2,0,0]=4 1225 B7R1.2 Cc1[nH]cc(n1)I TS08883 [0,1,0,1,0,0|2,0,0]=4 1226 B7R1.2 Cc1c[nH]c(=O)[nH]1 TS03772 [0,1,0,1,0,0|2,0,0]=4 1227 B7R1.2 Cc1c[nH]c(n1)C TS00643 [0,1,0,1,0,0|2,0,0]=4 1228 B7R1.2 Cc1cc([nH]c1)C TS00646 [0,1,0,1,0,0|2,0,0]=4 1229 B7R1.2 Cc1cc(cs1)Br TS70964 [0,1,0,1,0,0|1,1,0]=4 1230 B7R1.2 Cc1cc(no1)Br TS65934 [0,1,0,1,0,0|2,0,0]=4 1231 B7R1.2 Cc1cc(no1)N TS48907 [0,1,0,1,0,0|2,0,0]=4 1232 B7R1.2 Cc1cc(no1)N TS60000 [0,1,0,1,0,0|2,0,0]=4 1233 B7R1.2 Cc1cc(no1)O TS31468 [0,1,0,1,0,0|2,0,0]=4 1234 B7R1.2 Cc1cc(on1)C TS08855 [0,1,0,1,0,0|1,0,1]=4 1235 B7R1.2 Cc1cc(on1)N TS02058 [0,1,0,1,0,0|2,0,0]=4 1236 B7R1.2 Cc1cc(sc1)C TS04334 [0,1,0,1,0,0|1,1,0]=4 1237 B7R1.2 Cc1ccc([nH]1)C TS59928 [0,1,0,1,0,0|2,0,0]=4 1238 B7R1.2 Cc1ccc(o1)C TS31370 [0,1,0,1,0,0|1,0,0]=3 1239 B7R1.2 Cc1ccc(s1)Br TS55129 [0,1,0,1,0,0|1,1,0]=4 1240 B7R1.2 Cc1ccc(s1)C TS04332 [0,1,0,1,0,0|1,1,0]=4 1241 B7R1.2 Cc1ccc(s1)Cl TS00916 [0,1,0,1,0,0|1,1,0]=4 1242 B7R1.2 Cc1ccc(s1)I TS23773 [0,1,0,1,0,0|1,1,0]=4 1243 B7R1.2 Cc1cnc(s1)C TS32026 [0,1,0,1,0,0|1,1,0]=4 1244 B7R1.2 Cc1coc(n1)C TS31396 [0,1,0,1,0,0|1,0,0]=3 1245 B7R1.2 Cc1coc(n1)N TS71223 [0,1,0,1,0,0|2,0,0]=4 1246 B7R1.2 Cc1csc(n1)C TS00648 [0,1,0,1,0,0|1,1,0]=4 1247 B7R1.2 Cc1n[nH]c(=O)o1 TS31491 [0,1,0,1,0,0|1,0,1]=4 1248 B7R1.2 Cc1nc(cs1)Br TS46374 [0,1,0,1,0,0|1,1,0]=4 1249 B7R1.2 Cc1nnc(o1)N TS09106 [0,1,0,1,0,0|2,0,0]=4 1250 B7R1.2 c1(=O)[nH]c(=O)o[nH]1 TS31574 [0,1,0,1,0,0|2,0,0]=4 1251 B7R1.2 c1cc(oc1Br)Br TS52248 [0,1,0,1,0,0|1,0,1]=4 1252 B7R1.3 C1CC(=O)COC1 TS22954 [0,1,0,1,0,0|0,0,2]=4 1253 B7R1.3 C1CC(=O)COC1 TS89862 [0,1,0,1,0,0|0,0,2]=4 1254 B7R1.3 C1CC=CC(=O)C1 TS39840 [0,1,0,1,0,0|1,0,1]=4 1255 B7R1.3 C1CCOC(=O)C1 TS01892 [0,1,0,1,0,0|0,0,2]=4 1256 B7R1.3 C1COC(=O)C=C1 TS03767 [0,1,0,1,0,0|0,0,2]=4 1257 B7R1.3 C1COC(=O)CO1 TS31576 [0,1,0,1,0,0|0,0,2]=4 1258 B7R1.3 C1COC(=O)OC1 TS31584 [0,1,0,1,0,0|0,0,2]=4 1259 B7R1.3 Cc1ccccc1 TS71861 [0,1,0,1,0,0|2,0,0]=4 1260 B7R1.3 Cc1ccccn1 TS71881 [0,1,0,1,0,0|2,0,0]=4 1261 B7R1.3 Cc1ccccn1 TS93768 [0,1,0,1,0,0|2,0,0]=4 1262 B7R1.3 Cc1cccnc1 TS39719 [0,1,0,1,0,0|2,0,0]=4 1263 B7R1.3 Cc1cccnn1 TS70675 [0,1,0,1,0,0|2,0,0]=4 1264 B7R1.3 Cc1ccncc1 TS02242 [0,1,0,1,0,0|2,0,0]=4 1265 B7R1.3 Cc1ccncn1 TS71236 [0,1,0,1,0,0|2,0,0]=4 1266 B7R1.3 Cc1cnccn1 TS02445 [0,1,0,1,0,0|2,0,0]=4 1267 B7R1.3 Cc1ncccn1 TS59978 [0,1,0,1,0,0|2,0,0]=4 1268 B7R1.3 c1ccoc(=O)c1 TS03711 [0,1,0,1,0,0|0,0,1]=3 1269 B7R1.3 c1coccc1=O TS39928 [0,1,0,1,0,0|1,0,1]=4 1270 B7R1.4 C1CC(=O)C(=C1)Br TS11349 [0,1,0,1,0,0|1,0,1]=4 1271 B7R1.4 C1COC(=O)C1Br TS65029 [0,1,0,1,0,0|0,0,2]=4 1272 B7R1.4 C1COC(=O)C1O TS70622 [0,1,0,1,0,0|0,0,2]=4 1273 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [0,1,0,1,0,0|0,0,2]=4 1274 B7R1.4 C1COC(=O)[C@H]1N TS37131 [0,1,0,1,0,0|0,0,2]=4 1275 B7R1.4 CC1=CCCC1=O TS31367 [0,1,0,1,0,0|1,0,1]=4 1276 B7R1.4 CC1=CCOC1=O TS03756 [0,1,0,1,0,0|0,0,1]=3 1277 B7R1.4 CC1CCOC1=O TS59696 [0,1,0,1,0,0|0,0,2]=4 1278 B7R1.4 Cc1c(cco1)S TS32089 [0,1,0,1,0,0|0,1,0]=3 1279 B7R1.4 Cc1c(cco1)S TS41631 [0,1,0,1,0,0|0,1,0]=3 1280 B7R1.4 Cc1c(ccs1)S TS59980 [0,1,0,1,0,0|0,2,0]=4 1281 B7R1.4 Cc1c(cno1)I TS43576 [0,1,0,1,0,0|2,0,0]=4 1282 B7R1.4 Cc1c(ocn1)C TS31395 [0,1,0,1,0,0|2,0,0]=4 1283 B7R1.4 Cc1ccoc1C TS31373 [0,1,0,1,0,0|1,0,0]=3 1284 B7R1.4 Cc1ccsc1Br TS08660 [0,1,0,1,0,0|1,1,0]=4 1285 B7R1.4 Cc1ccsc1C TS04331 [0,1,0,1,0,0|1,1,0]=4 1286 B7R1.4 Cc1ccsc1Cl TS36735 [0,1,0,1,0,0|1,1,0]=4 1287 B7R1.4 Cc1nccn1C TS31380 [0,1,0,1,0,0|2,0,0]=4 1288 B7R1.4 Cn1c(=O)ccs1 TS41073 [0,1,0,1,0,0|1,1,0]=4 1289 B7R1.4 Cn1ccnc1Br TS55074 [0,1,0,1,0,0|2,0,0]=4 1290 B7R1.4 Cn1ccnc1Cl TS04651 [0,1,0,1,0,0|2,0,0]=4 1291 B7R1.4 Cn1ccnc1I TS01066 [0,1,0,1,0,0|2,0,0]=4 1292 B7R1.4 Cn1ccnc1S TS60134 [0,1,0,1,0,0|1,1,0]=4 1293 B7R1.4 c1coc(c1Br)Br TS52249 [0,1,0,1,0,0|1,0,1]=4 1294 B7R1.14 C1C=CCS1(=O)=O TS04728 [0,1,0,1,0,0|2,0,0]=4