0 B5R0.3 C(=C(C#N)Cl)Cl TS04885 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C(=O)(NN)NN TS03626 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.3 C(=O)(NN)NO TS03641 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.3 C(C(=CBr)Br)O TS21960 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 C(C(=CCl)Cl)Cl TS07134 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 C(C(=O)CBr)Br TS21961 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 C(C(=O)CCl)Cl TS36200 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 C(C(=O)CF)F TS03661 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 C(C(=O)CI)I TS60842 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 C(C(=O)CN)N TS11357 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 C(C(=O)CO)O TS46803 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 C(C(C=O)O)O TS47844 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.3 C([C@@H](C=O)O)O TS03618 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 C([C@@H](C=O)O)O TS08118 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.3 C([C@H](C=O)O)O TS07853 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.3 C=C(CCl)CCl TS39712 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 C=C(CO)CO TS65602 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 C=CC(=O)CBr TS00417 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.3 C=CC(C#C)O TS03461 [0,0,0,0,0,0|0,0,4]=4 19 B5R0.3 C=CC(C=C)O TS46814 [0,0,0,0,0,0|0,0,4]=4 20 B5R0.3 C=CC(CBr)O TS40965 [0,0,0,0,0,0|1,0,2]=3 21 B5R0.3 C=CC(CO)O TS03577 [0,0,0,0,0,0|1,0,2]=3 22 B5R0.3 C=C[C@@H](CO)N TS04992 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.3 C=C[C@@H](CO)O TS03582 [0,0,0,0,0,0|1,0,2]=3 24 B5R0.3 C=C[C@H](CO)N TS04990 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.3 C=C[C@H](CO)O TS03583 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.3 CC(=CN)C=O TS07741 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.3 CC(C=C)C#N TS03444 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.3 CC(C=C)[Mg]Cl TS32133 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.3 CC(CO)C=C TS71745 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.3 CC=C(C)C=C TS03466 [0,0,0,0,0,0|1,0,1]=2 31 B5R0.3 CC=C(C)C=C TS71680 [0,0,0,0,0,0|1,0,1]=2 32 B5R0.3 CC=C(C)C=O TS03488 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.3 CC=C(C=O)Cl TS04052 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.3 CC=C(CO)Br TS40966 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.3 CCC(=C)C=C TS71686 [0,0,0,0,0,0|1,0,0]=1 36 B5R0.3 CCC(=C)CC TS71714 [0,0,0,0,0,0|1,0,2]=3 37 B5R0.3 CCC(=NO)C TS03558 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.3 CCC(=O)C=C TS03496 [0,0,0,0,0,0|0,0,0]=0 39 B5R0.3 CCC(=O)C=O TS03524 [0,0,0,0,0,0|1,0,0]=1 40 B5R0.3 CCC(=O)CBr TS00020 [0,0,0,0,0,0|1,0,1]=2 41 B5R0.3 CCC(=O)CC TS00240 [0,0,0,0,0,0|0,0,2]=2 42 B5R0.3 CCC(=O)CCl TS31736 [0,0,0,0,0,0|1,0,1]=2 43 B5R0.3 CCC(=O)CO TS05538 [0,0,0,0,0,0|1,0,1]=2 44 B5R0.3 CCC(=O)NC TS03562 [0,0,0,0,0,0|1,0,1]=2 45 B5R0.3 CCC(=O)NN TS03589 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.3 CCC(=O)OC TS03587 [0,0,0,0,0,0|1,0,1]=2 47 B5R0.3 CCC(=S)OC TS31680 [0,0,0,0,0,0|1,1,1]=3 48 B5R0.3 CCC(C#C)O TS03494 [0,0,0,0,0,0|0,0,4]=4 49 B5R0.3 CCC(C#N)O TS03503 [0,0,0,0,0,0|1,0,3]=4 50 B5R0.3 CCC(C)C#C TS03468 [0,0,0,0,0,0|1,0,3]=4 51 B5R0.3 CCC(C)C=O TS03536 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.3 CCC(C)CBr TS09987 [0,0,0,0,0,0|2,0,2]=4 53 B5R0.3 CCC(C)CC TS03546 [0,0,0,0,0,0|1,0,3]=4 54 B5R0.3 CCC(C)CCl TS31746 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.3 CCC(C)CI TS18546 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.3 CCC(C)CN TS71788 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.3 CCC(C)CO TS03593 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.3 CCC(C)CS TS31698 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.3 CCC(C)NC TS04995 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.3 CCC(C)NC TS71785 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.3 CCC(C)OC TS71803 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.3 CCC(C)ON TS36089 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.3 CCC(C)SC TS31697 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.3 CCC(C)[Mg]Br TS11456 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.3 CCC(C)[Mg]Cl TS32262 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.3 CCC(C=C)O TS71760 [0,0,0,0,0,0|0,0,2]=2 67 B5R0.3 CCC(CBr)Br TS21966 [0,0,0,0,0,0|2,0,2]=4 68 B5R0.3 CCC(CBr)Cl TS13062 [0,0,0,0,0,0|2,0,2]=4 69 B5R0.3 CCC(CBr)O TS10270 [0,0,0,0,0,0|1,0,3]=4 70 B5R0.3 CCC(CC)Br TS09988 [0,0,0,0,0,0|1,0,3]=4 71 B5R0.3 CCC(CC)Cl TS31745 [0,0,0,0,0,0|1,0,3]=4 72 B5R0.3 CCC(CC)F TS71849 [0,0,0,0,0,0|1,0,3]=4 73 B5R0.3 CCC(CC)I TS18549 [0,0,0,0,0,0|1,0,3]=4 74 B5R0.3 CCC(CC)N TS00440 [0,0,0,0,0,0|1,0,3]=4 75 B5R0.3 CCC(CC)O TS00239 [0,0,0,0,0,0|0,0,4]=4 76 B5R0.3 CCC(CC)[Zn+] TS49169 [0,0,0,0,0,0|1,0,3]=4 77 B5R0.3 CCC(CCl)Cl TS36203 [0,0,0,0,0,0|2,0,2]=4 78 B5R0.3 CCC(CN)N TS71807 [0,0,0,0,0,0|2,0,2]=4 79 B5R0.3 CCC(CN)O TS03604 [0,0,0,0,0,0|1,0,3]=4 80 B5R0.3 CCC(CO)N TS03601 [0,0,0,0,0,0|2,0,2]=4 81 B5R0.3 CCC(CS)S TS04932 [0,0,0,0,0,0|1,1,2]=4 82 B5R0.3 CCN(C)CC TS71781 [0,0,0,0,0,0|2,0,2]=4 83 B5R0.3 CCN(C)N=O TS03588 [0,0,0,0,0,0|4,0,0]=4 84 B5R0.3 CCN(CC)O TS03599 [0,0,0,0,0,0|1,0,3]=4 85 B5R0.3 CCP(CC)Cl TS36025 [0,0,0,0,0,0|2,0,2]=4 86 B5R0.3 CCS(=O)CC TS04104 [0,0,0,0,0,0|1,0,2]=3 87 B5R0.3 CC[Al](CC)Cl TS27650 [0,0,0,0,0,0|2,0,2]=4 88 B5R0.3 CC[C@@H](CO)O TS71836 [0,0,0,0,0,0|1,0,3]=4 89 B5R0.3 CC[C@H](C)C#N TS71705 [0,0,0,0,0,0|2,0,2]=4 90 B5R0.3 CC[C@H](C)CBr TS39655 [0,0,0,0,0,0|2,0,2]=4 91 B5R0.3 CC[C@H](C)CCl TS31744 [0,0,0,0,0,0|2,0,2]=4 92 B5R0.3 CC[C@H](CO)N TS03605 [0,0,0,0,0,0|2,0,2]=4 93 B5R0.3 CC[C@H](CO)O TS71838 [0,0,0,0,0,0|1,0,3]=4 94 B5R0.3 CC[SiH](C)CC TS03988 [0,0,0,0,0,0|1,1,2]=4 95 B5R0.3 CC[Sn](=O)CC TS17584 [0,0,0,0,0,0|1,0,2]=3 96 B5R0.3 CNC(=N)SC TS94298 [0,0,0,0,0,0|3,0,1]=4 97 B5R0.3 CNC(=O)CCl TS04119 [0,0,0,0,0,0|2,0,1]=3 98 B5R0.3 CNC(=O)CN TS36033 [0,0,0,0,0,0|2,0,1]=3 99 B5R0.3 CNC(=O)NC TS08682 [0,0,0,0,0,0|2,0,1]=3 100 B5R0.3 CNC(=S)C#N TS03857 [0,0,0,0,0,0|2,1,1]=4 101 B5R0.3 CNC(=S)NC TS07883 [0,0,0,0,0,0|2,1,1]=4 102 B5R0.3 CNC(=S)NN TS31709 [0,0,0,0,0,0|3,1,0]=4 103 B5R0.3 CNC(=S)S[Na] TS05471 [0,0,0,0,0,0|3,1,0]=4 104 B5R0.3 COC(=O)C#C TS01555 [0,0,0,0,0,0|1,0,2]=3 105 B5R0.3 COC(=O)C#N TS71728 [0,0,0,0,0,0|2,0,1]=3 106 B5R0.3 COC(=O)C=C TS03529 [0,0,0,0,0,0|1,0,0]=1 107 B5R0.3 COC(=O)C=O TS65230 [0,0,0,0,0,0|2,0,0]=2 108 B5R0.3 COC(=O)CBr TS08895 [0,0,0,0,0,0|2,0,1]=3 109 B5R0.3 COC(=O)CCl TS39826 [0,0,0,0,0,0|2,0,1]=3 110 B5R0.3 COC(=O)CF TS65235 [0,0,0,0,0,0|2,0,1]=3 111 B5R0.3 COC(=O)CN TS36079 [0,0,0,0,0,0|2,0,1]=3 112 B5R0.3 COC(=O)CN TS93910 [0,0,0,0,0,0|2,0,1]=3 113 B5R0.3 COC(=O)CO TS03617 [0,0,0,0,0,0|2,0,1]=3 114 B5R0.3 COC(=O)CS TS39888 [0,0,0,0,0,0|2,0,1]=3 115 B5R0.3 COC(=O)NN TS65196 [0,0,0,0,0,0|3,0,0]=3 116 B5R0.3 COC(=O)OC TS33240 [0,0,0,0,0,0|2,0,1]=3 117 B5R0.3 COC(=O)SCl TS36190 [0,0,0,0,0,0|3,0,0]=3 118 B5R0.3 COS(=O)OC TS31831 [0,0,0,0,0,0|3,0,1]=4 119 B5R0.3 CSC(=C)SC TS32439 [0,0,0,0,0,0|3,0,1]=4 120 B5R0.3 CSC(=O)SC TS04928 [0,0,0,0,0,0|2,0,1]=3 121 B5R0.3 CSC(=S)SC TS37238 [0,0,0,0,0,0|2,1,1]=4 122 B4R0.1 B(CC)(O)O TS56140 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.1 BC(=O)OC TS05627 [1,0,0,0,0,0|2,0,0]=3 124 B4R0.1 C#CC(=O)N TS00217 [1,0,0,0,0,0|1,0,2]=4 125 B4R0.1 C#CC(=O)O TS59821 [1,0,0,0,0,0|1,0,2]=4 126 B4R0.1 C(=C(Br)Br)Br TS68889 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.1 C(=C(Cl)Cl)Cl TS36633 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.1 C(=C(F)Cl)Cl TS32135 [1,0,0,0,0,0|3,0,0]=4 129 B4R0.1 C(=C(F)Cl)F TS31457 [1,0,0,0,0,0|3,0,0]=4 130 B4R0.1 C(=C(F)F)Br TS06811 [1,0,0,0,0,0|3,0,0]=4 131 B4R0.1 C(=C(F)F)Cl TS31458 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.1 C(=C(F)F)F TS03455 [1,0,0,0,0,0|3,0,0]=4 133 B4R0.1 C(=O)(N)NN TS00261 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.1 C(=O)(N)NN TS71629 [1,0,0,0,0,0|3,0,0]=4 135 B4R0.1 C(=O)(N)NO TS71637 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.1 C(=O)(SCl)Cl TS05628 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.1 C(=O)C(=O)O TS39873 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.1 C(C(=N)N)Cl TS36385 [1,0,0,0,0,0|3,0,0]=4 139 B4R0.1 C(C(=N)N)N TS56589 [1,0,0,0,0,0|3,0,0]=4 140 B4R0.1 C(C(=O)Br)Br TS65193 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.1 C(C(=O)Cl)Br TS41828 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.1 C(C(=O)Cl)Cl TS31992 [1,0,0,0,0,0|2,0,0]=3 143 B4R0.1 C(C(=O)Cl)F TS64901 [1,0,0,0,0,0|2,0,0]=3 144 B4R0.1 C(C(=O)Cl)I TS38699 [1,0,0,0,0,0|2,0,0]=3 145 B4R0.1 C(C(=O)F)Cl TS03738 [1,0,0,0,0,0|2,0,0]=3 146 B4R0.1 C(C(=O)F)F TS71660 [1,0,0,0,0,0|2,0,0]=3 147 B4R0.1 C(C(=O)N)Br TS55147 [1,0,0,0,0,0|2,0,0]=3 148 B4R0.1 C(C(=O)N)Cl TS71884 [1,0,0,0,0,0|2,0,0]=3 149 B4R0.1 C(C(=O)N)F TS03417 [1,0,0,0,0,0|2,0,0]=3 150 B4R0.1 C(C(=O)N)I TS39674 [1,0,0,0,0,0|2,0,0]=3 151 B4R0.1 C(C(=O)N)N TS36806 [1,0,0,0,0,0|2,0,0]=3 152 B4R0.1 C(C(=O)N)N TS39640 [1,0,0,0,0,0|2,0,0]=3 153 B4R0.1 C(C(=O)N)O TS71626 [1,0,0,0,0,0|2,0,0]=3 154 B4R0.1 C(C(=O)N)S TS03643 [1,0,0,0,0,0|2,0,0]=3 155 B4R0.1 C(C(=O)O)Br TS06335 [1,0,0,0,0,0|2,0,0]=3 156 B4R0.1 C(C(=O)O)Br TS37324 [1,0,0,0,0,0|2,0,0]=3 157 B4R0.1 C(C(=O)O)Br TS37325 [1,0,0,0,0,0|2,0,0]=3 158 B4R0.1 C(C(=O)O)Br TS37462 [1,0,0,0,0,0|2,0,0]=3 159 B4R0.1 C(C(=O)O)Cl TS03683 [1,0,0,0,0,0|2,0,0]=3 160 B4R0.1 C(C(=O)O)F TS03424 [1,0,0,0,0,0|2,0,0]=3 161 B4R0.1 C(C(=O)O)I TS48817 [1,0,0,0,0,0|2,0,0]=3 162 B4R0.1 C(C(=O)O)N TS31897 [1,0,0,0,0,0|2,0,0]=3 163 B4R0.1 C(C(=O)O)N TS62535 [1,0,0,0,0,0|2,0,0]=3 164 B4R0.1 C(C(=O)O)O TS71635 [1,0,0,0,0,0|2,0,0]=3 165 B4R0.1 C(C(=O)O)S TS03656 [1,0,0,0,0,0|2,0,0]=3 166 B4R0.1 C(C(=O)[O-])Cl TS04648 [1,0,0,0,0,0|2,0,0]=3 167 B4R0.1 C(C(=O)[O-])F TS03691 [1,0,0,0,0,0|2,0,0]=3 168 B4R0.1 C(C(=O)[O-])F TS15406 [1,0,0,0,0,0|2,0,0]=3 169 B4R0.1 C(C(=O)[O-])F TS31484 [1,0,0,0,0,0|2,0,0]=3 170 B4R0.1 C(C(=O)[O-])I TS01955 [1,0,0,0,0,0|2,0,0]=3 171 B4R0.1 C(C(=O)[O-])I TS17396 [1,0,0,0,0,0|2,0,0]=3 172 B4R0.1 C(C(=O)[O-])N TS03744 [1,0,0,0,0,0|2,0,0]=3 173 B4R0.1 C(C(=O)[O-])N TS05962 [1,0,0,0,0,0|2,0,0]=3 174 B4R0.1 C(C(=O)[O-])N TS13250 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.1 C(C(=O)[O-])N TS21558 [1,0,0,0,0,0|2,0,0]=3 176 B4R0.1 C(C(=O)[O-])N TS38376 [1,0,0,0,0,0|2,0,0]=3 177 B4R0.1 C(C(=O)[O-])N TS50709 [1,0,0,0,0,0|2,0,0]=3 178 B4R0.1 C(C(=O)[O-])N TS93263 [1,0,0,0,0,0|2,0,0]=3 179 B4R0.1 C(C(=O)[O-])N TS93300 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.1 C(C(=O)[O-])O TS03750 [1,0,0,0,0,0|2,0,0]=3 181 B4R0.1 C(C(=O)[O-])S TS31805 [1,0,0,0,0,0|2,0,0]=3 182 B4R0.1 C(C(=O)[O-])S TS32044 [1,0,0,0,0,0|2,0,0]=3 183 B4R0.1 C(C(=O)[O-])S TS36493 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.1 C([N+](=O)[O-])Br TS37323 [1,0,0,0,0,0|3,0,0]=4 185 B4R0.1 C=C(C#N)Br TS05686 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.1 C=C(C#N)Cl TS00072 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.1 C=C(C=O)Br TS36903 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.1 C=C(CBr)Br TS37831 [1,0,0,0,0,0|2,0,0]=3 189 B4R0.1 C=C(CCl)Br TS41550 [1,0,0,0,0,0|2,0,0]=3 190 B4R0.1 C=C(CCl)Cl TS04228 [1,0,0,0,0,0|2,0,0]=3 191 B4R0.1 C=C(CCl)F TS03685 [1,0,0,0,0,0|2,0,0]=3 192 B4R0.1 C=C(CO)Br TS06156 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.1 C=C(CO)Cl TS00065 [1,0,0,0,0,0|2,0,0]=3 194 B4R0.1 C=CC(=C)Cl TS71819 [1,0,0,0,0,0|1,0,1]=3 195 B4R0.1 C=CC(=O)Cl TS33217 [1,0,0,0,0,0|1,0,0]=2 196 B4R0.1 C=CC(=O)N TS45022 [1,0,0,0,0,0|1,0,0]=2 197 B4R0.1 C=CC(=O)O TS71594 [1,0,0,0,0,0|1,0,0]=2 198 B4R0.1 C=CC(=O)[O-] TS03423 [1,0,0,0,0,0|1,0,0]=2 199 B4R0.1 C=CC(=O)[O-] TS10783 [1,0,0,0,0,0|1,0,0]=2 200 B4R0.1 C=CC(=O)[O-] TS14324 [1,0,0,0,0,0|1,0,0]=2 201 B4R0.1 C=CC(=O)[O-] TS38896 [1,0,0,0,0,0|1,0,0]=2 202 B4R0.1 C=CC(=O)[O-] TS43153 [1,0,0,0,0,0|1,0,0]=2 203 B4R0.1 C=CC(=O)[O-] TS43339 [1,0,0,0,0,0|1,0,0]=2 204 B4R0.1 C=CC(=O)[O-] TS57334 [1,0,0,0,0,0|1,0,0]=2 205 B4R0.1 C=CC(=O)[O-] TS71822 [1,0,0,0,0,0|1,0,0]=2 206 B4R0.1 C=CC(=O)[O-] TS80195 [1,0,0,0,0,0|1,0,0]=2 207 B4R0.1 C=C[N+](=O)[O-] TS03377 [1,0,0,0,0,0|2,0,0]=3 208 B4R0.1 CC(=C)C=C TS00101 [1,0,0,0,0,0|1,0,0]=2 209 B4R0.1 CC(=C)C=O TS71445 [1,0,0,0,0,0|2,0,0]=3 210 B4R0.1 CC(=C)CBr TS65907 [1,0,0,0,0,0|2,0,0]=3 211 B4R0.1 CC(=C)CCl TS00138 [1,0,0,0,0,0|2,0,0]=3 212 B4R0.1 CC(=C)CN TS02169 [1,0,0,0,0,0|2,0,0]=3 213 B4R0.1 CC(=C)CN TS04121 [1,0,0,0,0,0|2,0,0]=3 214 B4R0.1 CC(=C)CO TS00103 [1,0,0,0,0,0|2,0,0]=3 215 B4R0.1 CC(=C)CS TS71814 [1,0,0,0,0,0|2,0,0]=3 216 B4R0.1 CC(=C)OC TS00091 [1,0,0,0,0,0|2,0,0]=3 217 B4R0.1 CC(=C)[Mg]Br TS07128 [1,0,0,0,0,0|3,0,0]=4 218 B4R0.1 CC(=C=O)C TS16967 [1,0,0,0,0,0|2,0,1]=4 219 B4R0.1 CC(=CBr)Br TS37830 [1,0,0,0,0,0|2,0,0]=3 220 B4R0.1 CC(=CBr)C TS36907 [1,0,0,0,0,0|2,0,0]=3 221 B4R0.1 CC(=CCl)Cl TS31870 [1,0,0,0,0,0|2,0,0]=3 222 B4R0.1 CC(=N)OC TS31813 [1,0,0,0,0,0|2,0,1]=4 223 B4R0.1 CC(=NN)C TS71612 [1,0,0,0,0,0|3,0,0]=4 224 B4R0.1 CC(=NO)C TS03378 [1,0,0,0,0,0|3,0,0]=4 225 B4R0.1 CC(=O)C#C TS00427 [1,0,0,0,0,0|0,0,2]=3 226 B4R0.1 CC(=O)C=C TS71414 [1,0,0,0,0,0|0,0,0]=1 227 B4R0.1 CC(=O)C=O TS71593 [1,0,0,0,0,0|1,0,0]=2 228 B4R0.1 CC(=O)CBr TS64992 [1,0,0,0,0,0|1,0,1]=3 229 B4R0.1 CC(=O)CCl TS71869 [1,0,0,0,0,0|1,0,1]=3 230 B4R0.1 CC(=O)CF TS71639 [1,0,0,0,0,0|1,0,1]=3 231 B4R0.1 CC(=O)CO TS39607 [1,0,0,0,0,0|1,0,1]=3 232 B4R0.1 CC(=O)NBr TS37149 [1,0,0,0,0,0|2,0,0]=3 233 B4R0.1 CC(=O)NC TS16313 [1,0,0,0,0,0|1,0,1]=3 234 B4R0.1 CC(=O)NN TS01339 [1,0,0,0,0,0|2,0,0]=3 235 B4R0.1 CC(=O)OC TS03390 [1,0,0,0,0,0|1,0,1]=3 236 B4R0.1 CC(=O)OO TS71636 [1,0,0,0,0,0|2,0,0]=3 237 B4R0.1 CC(=O)SC TS71852 [1,0,0,0,0,0|1,0,1]=3 238 B4R0.1 CC(=[N+]=[N-])C TS03273 [1,0,0,0,0,0|3,0,0]=4 239 B4R0.1 CC(C)C=O TS00105 [1,0,0,0,0,0|2,0,1]=4 240 B4R0.1 CC(C=C)Br TS36909 [1,0,0,0,0,0|1,0,1]=3 241 B4R0.1 CC(C=C)Cl TS03635 [1,0,0,0,0,0|1,0,1]=3 242 B4R0.1 CC(C=C)O TS71610 [1,0,0,0,0,0|0,0,2]=3 243 B4R0.1 CC=C(Br)Br TS37832 [1,0,0,0,0,0|2,0,1]=4 244 B4R0.1 CC=C(C)Br TS36906 [1,0,0,0,0,0|1,0,1]=3 245 B4R0.1 CC=C(C)C TS03364 [1,0,0,0,0,0|1,0,1]=3 246 B4R0.1 CC=C(Cl)Br TS41551 [1,0,0,0,0,0|2,0,1]=4 247 B4R0.1 CCC(=C)Br TS36908 [1,0,0,0,0,0|1,0,0]=2 248 B4R0.1 CCC(=C)C TS03363 [1,0,0,0,0,0|1,0,0]=2 249 B4R0.1 CCC(=C)Cl TS03633 [1,0,0,0,0,0|1,0,0]=2 250 B4R0.1 CCC(=N)N TS01647 [1,0,0,0,0,0|2,0,0]=3 251 B4R0.1 CCC(=O)Br TS06155 [1,0,0,0,0,0|1,0,0]=2 252 B4R0.1 CCC(=O)C TS71608 [1,0,0,0,0,0|0,0,1]=2 253 B4R0.1 CCC(=O)Cl TS71868 [1,0,0,0,0,0|1,0,0]=2 254 B4R0.1 CCC(=O)F TS71638 [1,0,0,0,0,0|1,0,0]=2 255 B4R0.1 CCC(=O)N TS59820 [1,0,0,0,0,0|1,0,0]=2 256 B4R0.1 CCC(=O)O TS03391 [1,0,0,0,0,0|1,0,0]=2 257 B4R0.1 CCC(=O)[O-] TS03709 [1,0,0,0,0,0|1,0,0]=2 258 B4R0.1 CCC(=O)[O-] TS04307 [1,0,0,0,0,0|1,0,0]=2 259 B4R0.1 CCC(=O)[O-] TS21191 [1,0,0,0,0,0|1,0,0]=2 260 B4R0.1 CCC(=O)[O-] TS28396 [1,0,0,0,0,0|1,0,0]=2 261 B4R0.1 CCC(=O)[O-] TS29272 [1,0,0,0,0,0|1,0,0]=2 262 B4R0.1 CCC(=O)[O-] TS38909 [1,0,0,0,0,0|1,0,0]=2 263 B4R0.1 CCC(=O)[O-] TS48904 [1,0,0,0,0,0|1,0,0]=2 264 B4R0.1 CCC(=O)[O-] TS53540 [1,0,0,0,0,0|1,0,0]=2 265 B4R0.1 CCC(=S)N TS03610 [1,0,0,0,0,0|1,1,0]=3 266 B4R0.1 CCC(=S)O TS71850 [1,0,0,0,0,0|1,0,1]=3 267 B4R0.1 CCC(C)Br TS39654 [1,0,0,0,0,0|1,0,2]=4 268 B4R0.1 CCC(C)Cl TS71870 [1,0,0,0,0,0|1,0,2]=4 269 B4R0.1 CCC(C)I TS93849 [1,0,0,0,0,0|1,0,2]=4 270 B4R0.1 CCC(C)N TS03382 [1,0,0,0,0,0|1,0,2]=4 271 B4R0.1 CCC(C)O TS03403 [1,0,0,0,0,0|0,0,3]=4 272 B4R0.1 CCC(C)S TS71856 [1,0,0,0,0,0|0,1,2]=4 273 B4R0.1 CCC(C)[Zn+] TS19473 [1,0,0,0,0,0|1,0,2]=4 274 B4R0.1 CCN(C)C TS03385 [1,0,0,0,0,0|2,0,1]=4 275 B4R0.1 CCP(Cl)Cl TS36582 [1,0,0,0,0,0|3,0,0]=4 276 B4R0.1 CCS(=O)[O-] TS93504 [1,0,0,0,0,0|2,0,0]=3 277 B4R0.1 CC[C@@H](C)N TS04171 [1,0,0,0,0,0|1,0,2]=4 278 B4R0.1 CC[C@@H](C)O TS03406 [1,0,0,0,0,0|0,0,3]=4 279 B4R0.1 CC[C@H](C)O TS03405 [1,0,0,0,0,0|0,0,3]=4 280 B4R0.1 CC[N+](=O)[O-] TS56409 [1,0,0,0,0,0|2,0,0]=3 281 B4R0.1 CC[SiH](C)C TS71815 [1,0,0,0,0,0|1,1,1]=4 282 B4R0.1 CC[SiH](Cl)Cl TS36387 [1,0,0,0,0,0|2,1,0]=4 283 B4R0.1 CN(C)C=O TS01574 [1,0,0,0,0,0|3,0,0]=4 284 B4R0.1 CN(C)C=O TS03397 [1,0,0,0,0,0|3,0,0]=4 285 B4R0.1 CN(C)C=O TS31811 [1,0,0,0,0,0|3,0,0]=4 286 B4R0.1 CN(C)C=O TS41262 [1,0,0,0,0,0|3,0,0]=4 287 B4R0.1 CNC(=N)N TS04168 [1,0,0,0,0,0|3,0,0]=4 288 B4R0.1 CNC(=N)N TS27169 [1,0,0,0,0,0|3,0,0]=4 289 B4R0.1 CNC(=O)Cl TS71883 [1,0,0,0,0,0|2,0,0]=3 290 B4R0.1 CNC(=O)N TS03394 [1,0,0,0,0,0|2,0,0]=3 291 B4R0.1 CNC(=S)N TS01609 [1,0,0,0,0,0|2,1,0]=4 292 B4R0.1 CNC(=S)[S-] TS07130 [1,0,0,0,0,0|2,1,0]=4 293 B4R0.1 COC(=N)N TS01617 [1,0,0,0,0,0|3,0,0]=4 294 B4R0.1 COC(=N)N TS03396 [1,0,0,0,0,0|3,0,0]=4 295 B4R0.1 COC(=N)N TS13125 [1,0,0,0,0,0|3,0,0]=4 296 B4R0.1 COC(=N)N TS31863 [1,0,0,0,0,0|3,0,0]=4 297 B4R0.1 COC(=O)Cl TS03684 [1,0,0,0,0,0|2,0,0]=3 298 B4R0.1 COC(=O)N TS71628 [1,0,0,0,0,0|2,0,0]=3 299 B4R0.1 COC(=O)[O-] TS36560 [1,0,0,0,0,0|2,0,0]=3 300 B4R0.1 CO[N+](=O)[O-] TS03416 [1,0,0,0,0,0|3,0,0]=4 301 B4R0.1 CSC(=N)N TS01109 [1,0,0,0,0,0|3,0,0]=4 302 B4R0.1 CSC(=N)N TS49354 [1,0,0,0,0,0|3,0,0]=4 303 B4R0.1 CSC(=O)Cl TS31865 [1,0,0,0,0,0|2,0,0]=3 304 B4R0.1 C[N+](=CBr)C TS22154 [1,0,0,0,0,0|3,0,0]=4 305 B4R0.1 C[N+](=CCl)C TS05301 [1,0,0,0,0,0|3,0,0]=4 306 B4R0.1 [2H]C(=O)O[2H] TS65557 [1,0,0,0,0,0|3,0,0]=4 307 B4R0.2 C(C=CBr)Br TS37833 [1,0,0,0,0,0|2,0,0]=3 308 B4R0.2 C(C=CCl)Cl TS04226 [1,0,0,0,0,0|2,0,0]=3 309 B4R0.2 C(C=CCl)Cl TS04227 [1,0,0,0,0,0|2,0,0]=3 310 B4R0.2 C(C=CCl)Cl TS92961 [1,0,0,0,0,0|2,0,0]=3 311 B4R0.2 C(CCl)C=O TS71867 [1,0,0,0,0,0|2,0,1]=4 312 B4R0.2 C=CCC#C TS66005 [1,0,0,0,0,0|0,0,3]=4 313 B4R0.2 C=CCC#N TS70615 [1,0,0,0,0,0|1,0,2]=4 314 B4R0.2 C=CCC=C TS70907 [1,0,0,0,0,0|0,0,3]=4 315 B4R0.2 C=CCCBr TS03033 [1,0,0,0,0,0|1,0,1]=3 316 B4R0.2 C=CCCCl TS03638 [1,0,0,0,0,0|1,0,1]=3 317 B4R0.2 C=CCCN TS01596 [1,0,0,0,0,0|1,0,1]=3 318 B4R0.2 C=CCCN TS04120 [1,0,0,0,0,0|1,0,1]=3 319 B4R0.2 C=CCCO TS71598 [1,0,0,0,0,0|1,0,1]=3 320 B4R0.2 C=CCNN TS55729 [1,0,0,0,0,0|2,0,1]=4 321 B4R0.2 C=CCON TS31812 [1,0,0,0,0,0|2,0,1]=4 322 B4R0.2 C=CC[Mg]Br TS07129 [1,0,0,0,0,0|2,0,1]=4 323 B4R0.2 C=CC[Pd]Cl TS79784 [1,0,0,0,0,0|2,0,1]=4 324 B4R0.2 C=CNC=O TS03372 [1,0,0,0,0,0|2,0,1]=4 325 B4R0.2 C=COC=O TS71590 [1,0,0,0,0,0|2,0,1]=4 326 B4R0.2 CC=CC#C TS66004 [1,0,0,0,0,0|0,0,3]=4 327 B4R0.2 CC=CC=C TS06116 [1,0,0,0,0,0|0,0,1]=2 328 B4R0.2 CC=CC=C TS71007 [1,0,0,0,0,0|0,0,1]=2 329 B4R0.2 CC=CC=O TS16977 [1,0,0,0,0,0|1,0,1]=3 330 B4R0.2 CC=CCCl TS03634 [1,0,0,0,0,0|1,0,1]=3 331 B4R0.2 CC=CCN TS01395 [1,0,0,0,0,0|1,0,1]=3 332 B4R0.2 CC=CCO TS71604 [1,0,0,0,0,0|1,0,1]=3 333 B4R0.2 CC=COC TS71611 [1,0,0,0,0,0|1,0,1]=3 334 B4R0.2 CC=C[Mg]Br TS40351 [1,0,0,0,0,0|2,0,1]=4 335 B4R0.2 CCC#CBr TS05800 [1,0,0,0,0,0|1,0,2]=4 336 B4R0.2 CCC#CC TS03009 [1,0,0,0,0,0|0,0,3]=4 337 B4R0.2 CCC#CI TS47811 [1,0,0,0,0,0|1,0,2]=4 338 B4R0.2 CCC=C=C TS70908 [1,0,0,0,0,0|0,0,1]=2 339 B4R0.2 CCC=CBr TS33033 [1,0,0,0,0,0|1,0,0]=2 340 B4R0.2 CCC=CC TS03361 [1,0,0,0,0,0|0,0,1]=2 341 B4R0.2 CCC=CCl TS03636 [1,0,0,0,0,0|1,0,0]=2 342 B4R0.2 CCC=CCl TS03637 [1,0,0,0,0,0|1,0,0]=2 343 B4R0.2 CCC=NS TS31707 [1,0,0,0,0,0|2,0,0]=3 344 B4R0.2 CCCC#C TS70989 [1,0,0,0,0,0|0,0,3]=4 345 B4R0.2 CCCC#N TS03176 [1,0,0,0,0,0|1,0,2]=4 346 B4R0.2 CCCC=O TS71609 [1,0,0,0,0,0|1,0,1]=3 347 B4R0.2 CCCCBr TS37077 [1,0,0,0,0,0|1,0,2]=4 348 B4R0.2 CCCCBr TS93069 [1,0,0,0,0,0|1,0,2]=4 349 B4R0.2 CCCCC TS71613 [1,0,0,0,0,0|0,0,3]=4 350 B4R0.2 CCCCCl TS39594 [1,0,0,0,0,0|1,0,2]=4 351 B4R0.2 CCCCF TS71643 [1,0,0,0,0,0|1,0,2]=4 352 B4R0.2 CCCCI TS48513 [1,0,0,0,0,0|1,0,2]=4 353 B4R0.2 CCCCN TS03383 [1,0,0,0,0,0|1,0,2]=4 354 B4R0.2 CCCCN TS04172 [1,0,0,0,0,0|1,0,2]=4 355 B4R0.2 CCCCO TS03407 [1,0,0,0,0,0|1,0,2]=4 356 B4R0.2 CCCCS TS71854 [1,0,0,0,0,0|1,0,2]=4 357 B4R0.2 CCCC[O-] TS31364 [1,0,0,0,0,0|1,0,2]=4 358 B4R0.2 CCCC[O-] TS64270 [1,0,0,0,0,0|1,0,2]=4 359 B4R0.2 CCCC[O-] TS66591 [1,0,0,0,0,0|1,0,2]=4 360 B4R0.2 CCCC[O-] TS67287 [1,0,0,0,0,0|1,0,2]=4 361 B4R0.2 CCCC[O-] TS82799 [1,0,0,0,0,0|1,0,2]=4 362 B4R0.2 CCCC[O-] TS83727 [1,0,0,0,0,0|1,0,2]=4 363 B4R0.2 CCCC[S-] TS31943 [1,0,0,0,0,0|1,0,2]=4 364 B4R0.2 CCCC[Si] TS71817 [1,0,0,0,0,0|0,1,2]=4 365 B4R0.2 CCCC[Zn+] TS19474 [1,0,0,0,0,0|1,0,2]=4 366 B4R0.2 CCCNC TS03381 [1,0,0,0,0,0|1,0,2]=4 367 B4R0.2 CCCOC TS03404 [1,0,0,0,0,0|1,0,2]=4 368 B4R0.2 CCCO[NH3+] TS04256 [1,0,0,0,0,0|2,0,1]=4 369 B4R0.2 CCCSC TS71857 [1,0,0,0,0,0|1,0,2]=4 370 B4R0.2 CCC[Mg]Br TS07380 [1,0,0,0,0,0|2,0,1]=4 371 B4R0.2 CCC[Mg]Cl TS31623 [1,0,0,0,0,0|2,0,1]=4 372 B4R0.2 CCC[Zn]Br TS50817 [1,0,0,0,0,0|2,0,1]=4 373 B4R0.2 CCN=C=O TS01458 [1,0,0,0,0,0|2,0,1]=4 374 B4R0.2 CCN=C=S TS71772 [1,0,0,0,0,0|2,0,1]=4 375 B4R0.2 CCNC=O TS03379 [1,0,0,0,0,0|2,0,0]=3 376 B4R0.2 CCNCC TS03384 [1,0,0,0,0,0|1,0,2]=4 377 B4R0.2 CCNCC TS04169 [1,0,0,0,0,0|1,0,2]=4 378 B4R0.2 CCNCC TS05835 [1,0,0,0,0,0|1,0,2]=4 379 B4R0.2 CCNCC TS10368 [1,0,0,0,0,0|1,0,2]=4 380 B4R0.2 CCNCC TS12959 [1,0,0,0,0,0|1,0,2]=4 381 B4R0.2 CCOC#C TS71444 [1,0,0,0,0,0|1,0,2]=4 382 B4R0.2 CCOC=C TS71601 [1,0,0,0,0,0|1,0,0]=2 383 B4R0.2 CCOC=O TS03393 [1,0,0,0,0,0|2,0,0]=3 384 B4R0.2 CCOCC TS03401 [1,0,0,0,0,0|1,0,2]=4 385 B4R0.2 CCOCC TS42371 [1,0,0,0,0,0|1,0,2]=4 386 B4R0.2 CCOCC TS43884 [1,0,0,0,0,0|1,0,2]=4 387 B4R0.2 CCOCC TS68115 [1,0,0,0,0,0|1,0,2]=4 388 B4R0.2 CCOCC TS79120 [1,0,0,0,0,0|1,0,2]=4 389 B4R0.2 CCOCCl TS39832 [1,0,0,0,0,0|2,0,1]=4 390 B4R0.2 CCON=O TS71627 [1,0,0,0,0,0|3,0,0]=4 391 B4R0.2 CCPCC TS71830 [1,0,0,0,0,0|1,0,2]=4 392 B4R0.2 CCSC#N TS71770 [1,0,0,0,0,0|2,0,1]=4 393 B4R0.2 CCSC=C TS71813 [1,0,0,0,0,0|1,0,0]=2 394 B4R0.2 CCSCC TS71853 [1,0,0,0,0,0|1,0,2]=4 395 B4R0.2 CCSSC TS04155 [1,0,0,0,0,0|2,0,1]=4 396 B4R0.2 CC[Al+]CC TS32445 [1,0,0,0,0,0|1,0,2]=4 397 B4R0.2 CC[Al+]CC TS36486 [1,0,0,0,0,0|1,0,2]=4 398 B4R0.2 CC[Cd]CC TS45221 [1,0,0,0,0,0|1,0,2]=4 399 B4R0.2 CC[Ga+]CC TS42641 [1,0,0,0,0,0|1,0,2]=4 400 B4R0.2 CC[GeH2]CC TS36741 [1,0,0,0,0,0|0,1,2]=4 401 B4R0.2 CC[Hg]CC TS68206 [1,0,0,0,0,0|1,0,2]=4 402 B4R0.2 CC[Mg]CC TS71690 [1,0,0,0,0,0|1,0,2]=4 403 B4R0.2 CC[N-]CC TS71656 [1,0,0,0,0,0|1,0,2]=4 404 B4R0.2 CC[Se]CC TS37078 [1,0,0,0,0,0|1,0,2]=4 405 B4R0.2 CC[SiH2]CC TS71816 [1,0,0,0,0,0|0,1,2]=4 406 B4R0.2 CC[Te]CC TS15549 [1,0,0,0,0,0|1,0,2]=4 407 B4R0.2 CC[Zn]CC TS04983 [1,0,0,0,0,0|1,0,2]=4 408 B4R0.2 COCC=C TS94286 [1,0,0,0,0,0|1,0,1]=3 409 B4R0.2 COCC=O TS03388 [1,0,0,0,0,0|2,0,1]=4 410 B4R0.2 CSCC=C TS71811 [1,0,0,0,0,0|1,0,1]=3 411 B4R0.2 [2H]OCCC TS65595 [1,0,0,0,0,0|2,0,1]=4 412 B4R0.2 [Li]CCCC TS39912 [1,0,0,0,0,0|1,0,2]=4 413 B6R0.1 C(C#N)C(=O)NN TS01397 [0,1,0,0,0,0|2,0,1]=4 414 B6R0.1 C(C(=O)NCO)Cl TS64943 [0,1,0,0,0,0|2,0,1]=4 415 B6R0.1 C(C(=O)OCO)N TS05233 [0,1,0,0,0,0|2,0,1]=4 416 B6R0.1 C(CN)C(=O)CN TS13627 [0,1,0,0,0,0|1,0,1]=3 417 B6R0.1 C(CO)C(=O)CN TS37313 [0,1,0,0,0,0|1,0,1]=3 418 B6R0.1 C=CC(=O)NCO TS31539 [0,1,0,0,0,0|1,0,0]=2 419 B6R0.1 C=CC(=O)OC=C TS03768 [0,1,0,0,0,0|0,0,2]=3 420 B6R0.1 C=CC(CCO)N TS31560 [0,1,0,0,0,0|1,0,1]=3 421 B6R0.1 C=CCC(C=C)O TS31423 [0,1,0,0,0,0|0,0,3]=4 422 B6R0.1 C=COC(=O)CBr TS42840 [0,1,0,0,0,0|1,0,0]=2 423 B6R0.1 C=COC(=O)CCl TS32444 [0,1,0,0,0,0|1,0,0]=2 424 B6R0.1 C=COC(=O)CI TS44096 [0,1,0,0,0,0|1,0,0]=2 425 B6R0.1 CC#CC(=O)OC TS03761 [0,1,0,0,0,0|1,0,2]=4 426 B6R0.1 CC(=CCCl)C=O TS04765 [0,1,0,0,0,0|2,0,1]=4 427 B6R0.1 CC(CC=C)C=C TS31383 [0,1,0,0,0,0|1,0,2]=4 428 B6R0.1 CC(CCO)C=C TS31514 [0,1,0,0,0,0|1,0,1]=3 429 B6R0.1 CC=C(C)CC=C TS03736 [0,1,0,0,0,0|1,0,1]=3 430 B6R0.1 CC=C(C)CCO TS03864 [0,1,0,0,0,0|1,0,1]=3 431 B6R0.1 CC=CC(=CC)C TS31385 [0,1,0,0,0,0|1,0,1]=3 432 B6R0.1 CC=CC(=O)OC TS56315 [0,1,0,0,0,0|1,0,0]=2 433 B6R0.1 CCC(=O)C=CC TS31436 [0,1,0,0,0,0|0,0,0]=1 434 B6R0.1 CCC(=O)CC#N TS31393 [0,1,0,0,0,0|0,0,2]=3 435 B6R0.1 CCC(=O)CSC TS32357 [0,1,0,0,0,0|0,0,2]=3 436 B6R0.1 CCC(=O)NCC TS03904 [0,1,0,0,0,0|0,0,2]=3 437 B6R0.1 CCC(=O)OC=C TS31498 [0,1,0,0,0,0|0,0,0]=1 438 B6R0.1 CCC(=O)OCC TS03938 [0,1,0,0,0,0|0,0,2]=3 439 B6R0.1 CCC(=O)SCC TS32362 [0,1,0,0,0,0|0,0,2]=3 440 B6R0.1 CCC(C)C=CC TS03791 [0,1,0,0,0,0|1,0,1]=3 441 B6R0.1 CCC(C)CC=C TS03804 [0,1,0,0,0,0|1,0,1]=3 442 B6R0.1 CCC(C)CC=O TS31513 [0,1,0,0,0,0|1,0,2]=4 443 B6R0.1 CCC(C=CC)O TS03868 [0,1,0,0,0,0|0,0,2]=3 444 B6R0.1 CCC(CC=C)O TS31532 [0,1,0,0,0,0|0,0,2]=3 445 B6R0.1 CCC=C(C)C=O TS03779 [0,1,0,0,0,0|2,0,0]=3 446 B6R0.1 CCCC(=C)C=O TS31425 [0,1,0,0,0,0|2,0,0]=3 447 B6R0.1 CCCC(=C)CC TS03794 [0,1,0,0,0,0|1,0,2]=4 448 B6R0.1 CCCC(=CC)C TS31455 [0,1,0,0,0,0|1,0,1]=3 449 B6R0.1 CCCC(=O)CC TS31522 [0,1,0,0,0,0|0,0,2]=3 450 B6R0.1 CCCC(=O)NN TS31598 [0,1,0,0,0,0|2,0,0]=3 451 B6R0.1 CCCC(=O)OC TS03955 [0,1,0,0,0,0|1,0,1]=3 452 B6R0.1 CCCC(=S)OC TS32358 [0,1,0,0,0,0|1,1,1]=4 453 B6R0.1 CCCC(C)C=C TS03798 [0,1,0,0,0,0|1,0,1]=3 454 B6R0.1 CCCC(C)C=O TS01565 [0,1,0,0,0,0|2,0,1]=4 455 B6R0.1 CCCC(C=C)O TS03859 [0,1,0,0,0,0|0,0,2]=3 456 B6R0.1 CCNC(=O)C=C TS03826 [0,1,0,0,0,0|0,0,0]=1 457 B6R0.1 CCNC(=O)CCl TS04876 [0,1,0,0,0,0|1,0,1]=3 458 B6R0.1 CCNC(=O)OC TS31636 [0,1,0,0,0,0|1,0,1]=3 459 B6R0.1 CCOC(=O)C#C TS03762 [0,1,0,0,0,0|0,0,2]=3 460 B6R0.1 CCOC(=O)C#N TS31469 [0,1,0,0,0,0|1,0,1]=3 461 B6R0.1 CCOC(=O)C=C TS33216 [0,1,0,0,0,0|0,0,0]=1 462 B6R0.1 CCOC(=O)C=O TS56148 [0,1,0,0,0,0|1,0,0]=2 463 B6R0.1 CCOC(=O)CBr TS56141 [0,1,0,0,0,0|1,0,1]=3 464 B6R0.1 CCOC(=O)CCl TS39825 [0,1,0,0,0,0|1,0,1]=3 465 B6R0.1 CCOC(=O)CF TS65215 [0,1,0,0,0,0|1,0,1]=3 466 B6R0.1 CCOC(=O)CN TS31646 [0,1,0,0,0,0|1,0,1]=3 467 B6R0.1 CCOC(=O)CN TS33221 [0,1,0,0,0,0|1,0,1]=3 468 B6R0.1 CCOC(=O)CO TS56147 [0,1,0,0,0,0|1,0,1]=3 469 B6R0.1 CCOC(=O)CS TS01466 [0,1,0,0,0,0|1,0,1]=3 470 B6R0.1 CCOC(=O)NC TS31637 [0,1,0,0,0,0|1,0,1]=3 471 B6R0.1 CCOC(=O)NN TS59780 [0,1,0,0,0,0|2,0,0]=3 472 B6R0.1 CCOC(=O)NO TS04067 [0,1,0,0,0,0|2,0,0]=3 473 B6R0.1 CCOC(=O)OC TS31662 [0,1,0,0,0,0|1,0,1]=3 474 B6R0.1 CCOC(=S)S[K] TS01641 [0,1,0,0,0,0|2,1,0]=4 475 B6R0.1 CCOC(=S)S[Na] TS39945 [0,1,0,0,0,0|2,1,0]=4 476 B6R0.1 CNC(=O)CC#N TS55304 [0,1,0,0,0,0|1,0,2]=4 477 B6R0.1 CNCC(=O)OC TS01682 [0,1,0,0,0,0|1,0,1]=3 478 B6R0.1 COC(=O)C=CN TS31544 [0,1,0,0,0,0|1,0,0]=2 479 B6R0.1 COC(=O)CC#N TS31466 [0,1,0,0,0,0|1,0,2]=4 480 B6R0.1 COC(=O)CC=C TS31502 [0,1,0,0,0,0|1,0,0]=2 481 B6R0.1 COC(=O)CCBr TS56269 [0,1,0,0,0,0|1,0,1]=3 482 B6R0.1 COC(=O)CCCl TS04939 [0,1,0,0,0,0|1,0,1]=3 483 B6R0.1 COC(=O)CCN TS08577 [0,1,0,0,0,0|1,0,1]=3 484 B6R0.1 COC(=O)CCO TS65233 [0,1,0,0,0,0|1,0,1]=3 485 B6R0.1 COC(=O)CCS TS04824 [0,1,0,0,0,0|1,0,1]=3 486 B6R0.1 COC(=O)CSC TS39398 [0,1,0,0,0,0|1,0,1]=3 487 B6R0.1 COC(=O)C[N+]#[C-] TS31464 [0,1,0,0,0,0|1,0,2]=4 488 B6R0.1 COC(=O)N=C=O TS03897 [0,1,0,0,0,0|2,0,1]=4 489 B6R0.1 COCC(=O)OC TS39892 [0,1,0,0,0,0|1,0,1]=3 490 B6R0.3 C(=C(C(Cl)Cl)Cl)Cl TS47809 [0,1,0,0,0,0|3,0,0]=4 491 B6R0.3 C(=O)(C(=O)NN)N TS31631 [0,1,0,0,0,0|3,0,0]=4 492 B6R0.3 C(C(=C(Cl)Cl)Cl)Cl TS47810 [0,1,0,0,0,0|3,0,0]=4 493 B6R0.3 C(C(=O)C(=O)O)Br TS43180 [0,1,0,0,0,0|2,0,0]=3 494 B6R0.3 C(C(=O)C(=O)O)Cl TS04936 [0,1,0,0,0,0|2,0,0]=3 495 B6R0.3 C(C(=O)C(=O)[O-])F TS05303 [0,1,0,0,0,0|2,0,0]=3 496 B6R0.3 C(C(=O)C(=O)[O-])O TS05302 [0,1,0,0,0,0|2,0,0]=3 497 B6R0.3 C(C(=O)C(=O)[O-])S TS06647 [0,1,0,0,0,0|2,0,0]=3 498 B6R0.3 C(C(=O)C(Br)Br)Br TS35743 [0,1,0,0,0,0|2,0,1]=4 499 B6R0.3 C(C(=O)C(Cl)Cl)Cl TS11459 [0,1,0,0,0,0|2,0,1]=4 500 B6R0.3 C=C(CBr)C(=O)O TS42841 [0,1,0,0,0,0|3,0,0]=4 501 B6R0.3 C=CC(=C(F)F)F TS04131 [0,1,0,0,0,0|2,0,1]=4 502 B6R0.3 CC(=C)C(=O)NC TS03820 [0,1,0,0,0,0|1,0,0]=2 503 B6R0.3 CC(=C)C(=O)OC TS31500 [0,1,0,0,0,0|1,0,0]=2 504 B6R0.3 CC(=O)C(=O)OC TS31579 [0,1,0,0,0,0|1,0,1]=3 505 B6R0.3 CC(=O)N(C)C=C TS59326 [0,1,0,0,0,0|2,0,1]=4 506 B6R0.3 CC(C(=O)NN)O TS04020 [0,1,0,0,0,0|2,0,0]=3 507 B6R0.3 CC(C(=O)OC)Br TS12330 [0,1,0,0,0,0|1,0,1]=3 508 B6R0.3 CC(C(=O)OC)Br TS93879 [0,1,0,0,0,0|1,0,1]=3 509 B6R0.3 CC(C(=O)OC)Cl TS04944 [0,1,0,0,0,0|1,0,1]=3 510 B6R0.3 CC(C(=O)OC)N TS55725 [0,1,0,0,0,0|1,0,1]=3 511 B6R0.3 CC(C(=O)OC)O TS31661 [0,1,0,0,0,0|1,0,1]=3 512 B6R0.3 CC(C)C(=N)OC TS37144 [0,1,0,0,0,0|2,0,1]=4 513 B6R0.3 CC(C)C(=NO)N TS31597 [0,1,0,0,0,0|3,0,0]=4 514 B6R0.3 CC(C)C(=O)CBr TS00029 [0,1,0,0,0,0|1,0,1]=3 515 B6R0.3 CC(C)C(=O)NN TS31595 [0,1,0,0,0,0|2,0,0]=3 516 B6R0.3 CC(C)C(=O)NN TS66305 [0,1,0,0,0,0|2,0,0]=3 517 B6R0.3 CC(C)C(=O)NO TS03991 [0,1,0,0,0,0|2,0,0]=3 518 B6R0.3 CC(C)C(=O)OC TS03944 [0,1,0,0,0,0|1,0,1]=3 519 B6R0.3 CC(C)C(=O)O[SiH3] TS32367 [0,1,0,0,0,0|1,1,0]=3 520 B6R0.3 CC(C)C(C)C=C TS03806 [0,1,0,0,0,0|1,0,1]=3 521 B6R0.3 CC(C)C(C=C)O TS31528 [0,1,0,0,0,0|0,0,2]=3 522 B6R0.3 CC(C=C)C(=C)C TS03723 [0,1,0,0,0,0|1,0,2]=4 523 B6R0.3 CC=C(C)C(=O)C TS31447 [0,1,0,0,0,0|1,0,2]=4 524 B6R0.3 CC=C(C)C(=O)Cl TS04767 [0,1,0,0,0,0|2,0,1]=4 525 B6R0.3 CC=C(C)C(=O)O TS03838 [0,1,0,0,0,0|2,0,1]=4 526 B6R0.3 CC=C(C)C(=O)O TS03840 [0,1,0,0,0,0|2,0,1]=4 527 B6R0.3 CC=C(C)C(C)C TS03807 [0,1,0,0,0,0|1,0,1]=3 528 B6R0.3 CC=C(C)C(C)C TS31450 [0,1,0,0,0,0|1,0,1]=3 529 B6R0.3 CCC(=C(F)F)F TS04180 [0,1,0,0,0,0|2,0,0]=3 530 B6R0.3 CCC(=C)C(C)C TS03792 [0,1,0,0,0,0|1,0,2]=4 531 B6R0.3 CCC(=O)C(=O)C TS03844 [0,1,0,0,0,0|0,0,1]=2 532 B6R0.3 CCC(=O)C(=O)O TS31578 [0,1,0,0,0,0|1,0,0]=2 533 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [0,1,0,0,0,0|1,0,0]=2 534 B6R0.3 CCC(=O)C(C)C TS31520 [0,1,0,0,0,0|0,0,2]=3 535 B6R0.3 CCC(=O)N(C)C TS31553 [0,1,0,0,0,0|1,0,1]=3 536 B6R0.3 CCC(C(=C)C)O TS31517 [0,1,0,0,0,0|0,0,2]=3 537 B6R0.3 CCC(C(=O)Br)Br TS52915 [0,1,0,0,0,0|2,0,1]=4 538 B6R0.3 CCC(C(=O)C)S TS32355 [0,1,0,0,0,0|0,1,2]=4 539 B6R0.3 CCC(C(=O)Cl)Br TS48787 [0,1,0,0,0,0|2,0,1]=4 540 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [0,1,0,0,0,0|2,0,1]=4 541 B6R0.3 CCC(C(=O)N)Cl TS04875 [0,1,0,0,0,0|2,0,1]=4 542 B6R0.3 CCC(C(=O)N)N TS93870 [0,1,0,0,0,0|2,0,1]=4 543 B6R0.3 CCC(C(=O)N)N TS94086 [0,1,0,0,0,0|2,0,1]=4 544 B6R0.3 CCC(C(=O)O)Br TS12329 [0,1,0,0,0,0|2,0,1]=4 545 B6R0.3 CCC(C(=O)O)Cl TS04940 [0,1,0,0,0,0|2,0,1]=4 546 B6R0.3 CCC(C(=O)O)N TS45781 [0,1,0,0,0,0|2,0,1]=4 547 B6R0.3 CCC(C(=O)O)N TS47470 [0,1,0,0,0,0|2,0,1]=4 548 B6R0.3 CCC(C(=O)O)O TS31670 [0,1,0,0,0,0|1,0,2]=4 549 B6R0.3 CCC(C(=O)[O-])O TS05131 [0,1,0,0,0,0|1,0,2]=4 550 B6R0.3 CCC(C)C(=O)C TS31518 [0,1,0,0,0,0|1,0,2]=4 551 B6R0.3 CCC(C)C(=O)Cl TS04836 [0,1,0,0,0,0|2,0,1]=4 552 B6R0.3 CCC(C)C(=O)O TS03945 [0,1,0,0,0,0|2,0,1]=4 553 B6R0.3 CCN(C)C(=O)Cl TS56394 [0,1,0,0,0,0|3,0,0]=4 554 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [0,1,0,0,0,0|2,0,1]=4 555 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [0,1,0,0,0,0|2,0,1]=4 556 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [0,1,0,0,0,0|1,0,2]=4 557 B6R0.3 CC[C@H](C(=O)N)N TS93011 [0,1,0,0,0,0|2,0,1]=4 558 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [0,1,0,0,0,0|2,0,1]=4 559 B6R0.3 CC[C@H](C(=O)O)N TS64880 [0,1,0,0,0,0|2,0,1]=4 560 B6R0.3 CN(C)C(=O)C=C TS03821 [0,1,0,0,0,0|1,0,0]=2 561 B6R0.3 CN(C)C(=O)CCl TS55283 [0,1,0,0,0,0|2,0,1]=4 562 B6R0.3 CN(C)C(=O)CN TS00812 [0,1,0,0,0,0|2,0,1]=4 563 B6R0.3 CN(C)C(=O)CN TS40036 [0,1,0,0,0,0|2,0,1]=4 564 B6R0.3 CNC(=O)C(Cl)Cl TS06629 [0,1,0,0,0,0|2,0,1]=4 565 B6R0.3 CNC(=O)C(F)Br TS45075 [0,1,0,0,0,0|2,0,1]=4 566 B6R0.3 CNC(=O)C(F)Cl TS36077 [0,1,0,0,0,0|2,0,1]=4 567 B6R0.3 CNC(=O)N(C)C TS31600 [0,1,0,0,0,0|2,0,1]=4 568 B6R0.3 COC(=O)C(=C)F TS31658 [0,1,0,0,0,0|1,0,0]=2 569 B6R0.3 COC(=O)C(=O)Cl TS34587 [0,1,0,0,0,0|2,0,0]=3 570 B6R0.3 COC(=O)C(=O)N TS31629 [0,1,0,0,0,0|2,0,0]=3 571 B6R0.3 COC(=O)C(Br)Br TS25148 [0,1,0,0,0,0|2,0,1]=4 572 B6R0.3 COC(=O)C(Cl)Br TS50602 [0,1,0,0,0,0|2,0,1]=4 573 B6R0.3 COC(=O)C(Cl)Cl TS06813 [0,1,0,0,0,0|2,0,1]=4 574 B6R0.3 COC(=O)C(F)F TS56318 [0,1,0,0,0,0|2,0,1]=4 575 B6R0.3 C[C@@H](C(=O)OC)N TS37314 [0,1,0,0,0,0|1,0,1]=3 576 B6R0.3 C[C@@H](C(=O)OC)O TS39673 [0,1,0,0,0,0|1,0,1]=3 577 B6R0.3 C[C@H](C(=O)OC)F TS31728 [0,1,0,0,0,0|1,0,1]=3 578 B6R0.3 C[C@H](C(=O)OC)N TS01765 [0,1,0,0,0,0|1,0,1]=3 579 B6R0.3 C[C@H](C(=O)OC)O TS04018 [0,1,0,0,0,0|1,0,1]=3 580 B6R0.8 C=CS(=O)(=O)C=C TS04727 [0,1,0,0,0,0|1,0,2]=4 581 B6R0.8 CCC(C)(C)C=C TS31454 [0,1,0,0,0,0|1,0,1]=3 582 B6R0.8 CCC(C)(C=C)O TS31507 [0,1,0,0,0,0|0,0,2]=3 583 B6R0.8 CCP(=O)(CC)Cl TS37444 [0,1,0,0,0,0|1,0,2]=4 584 B6R0.8 CCS(=O)(=O)C=C TS04821 [0,1,0,0,0,0|1,0,0]=2 585 B6R0.8 CCS(=O)(=O)CC TS32523 [0,1,0,0,0,0|1,0,2]=4 586 B6R0.8 CNS(=O)(=O)C=C TS32460 [0,1,0,0,0,0|2,0,0]=3 587 B6R0.8 C[Si](C)(CCl)C=C TS36893 [0,1,0,0,0,0|2,1,0]=4 588 B6R0.9 CCC(=CC)C=O TS31448 [0,1,0,0,0,0|0,0,1]=2 589 B6R0.9 CCC(CC)C=C TS03805 [0,1,0,0,0,0|1,0,1]=3 590 B6R0.9 CCN(CC)C=O TS39410 [0,1,0,0,0,0|1,0,2]=4 591 B6R0.9 CCN(CC)N=O TS31604 [0,1,0,0,0,0|1,0,2]=4 592 B6R0.9 COC(C=C)OC TS31593 [0,1,0,0,0,0|1,0,2]=4 593 B6R0.9 COC(CO)C=C TS03957 [0,1,0,0,0,0|1,0,2]=4 594 B6R1.2 C1=CN=NC1=O TS03479 [0,0,0,1,0,0|2,0,0]=3 595 B6R1.2 C1=NC(=O)N=N1 TS94818 [0,0,0,1,0,0|3,0,0]=4 596 B6R1.2 C1C(=O)NCN1 TS32972 [0,0,0,1,0,0|2,0,1]=4 597 B6R1.2 C1C(=O)O[Pt]O1 TS23018 [0,0,0,1,0,0|3,0,0]=4 598 B6R1.2 C1C=CC(=O)N1 TS71697 [0,0,0,1,0,0|1,0,0]=2 599 B6R1.2 C1C=CC(=O)O1 TS03476 [0,0,0,1,0,0|1,0,0]=2 600 B6R1.2 C1C=CCC1=O TS03462 [0,0,0,1,0,0|0,0,2]=3 601 B6R1.2 C1CC(=N)SC1 TS03910 [0,0,0,1,0,0|2,0,1]=4 602 B6R1.2 C1CC(=NC1)N TS04838 [0,0,0,1,0,0|2,0,1]=4 603 B6R1.2 C1CC(=O)C=C1 TS00977 [0,0,0,1,0,0|0,0,0]=1 604 B6R1.2 C1CC(=O)NC1 TS39938 [0,0,0,1,0,0|1,0,1]=3 605 B6R1.2 C1CC(=O)NC1 TS63365 [0,0,0,1,0,0|1,0,1]=3 606 B6R1.2 C1CC(=O)SC1 TS31607 [0,0,0,1,0,0|1,0,1]=3 607 B6R1.2 C1CC(=S)NC1 TS03912 [0,0,0,1,0,0|1,1,1]=4 608 B6R1.2 C1CC(C=C1)Cl TS31621 [0,0,0,1,0,0|1,0,1]=3 609 B6R1.2 C1CC=C(C1)Cl TS31619 [0,0,0,1,0,0|1,0,1]=3 610 B6R1.2 C1CCC(=O)C1 TS03493 [0,0,0,1,0,0|0,0,2]=3 611 B6R1.2 C1CCS(=O)C1 TS31677 [0,0,0,1,0,0|1,0,2]=4 612 B6R1.2 C1CNC(=O)N1 TS93146 [0,0,0,1,0,0|2,0,1]=4 613 B6R1.2 C1CNCC1=O TS88446 [0,0,0,1,0,0|1,0,1]=3 614 B6R1.2 C1CNNC1=O TS04946 [0,0,0,1,0,0|2,0,0]=3 615 B6R1.2 C1COC(=O)N1 TS03552 [0,0,0,1,0,0|2,0,1]=4 616 B6R1.2 C1COC(=O)O1 TS71793 [0,0,0,1,0,0|2,0,1]=4 617 B6R1.2 C1COCC1=O TS01440 [0,0,0,1,0,0|1,0,1]=3 618 B6R1.2 C1CSC(=O)N1 TS03996 [0,0,0,1,0,0|2,0,1]=4 619 B6R1.2 C1CSCC1=O TS81072 [0,0,0,1,0,0|1,0,1]=3 620 B6R1.2 CC1=CCCC1 TS71683 [0,0,0,1,0,0|1,0,1]=3 621 B6R1.2 CC1=CCCO1 TS03492 [0,0,0,1,0,0|2,0,1]=4 622 B6R1.2 CC1=NCCC1 TS32917 [0,0,0,1,0,0|2,0,1]=4 623 B6R1.2 Cc1cc[nH]c1 TS70679 [0,0,0,1,0,0|2,0,1]=4 624 B6R1.2 Cc1cc[nH]n1 TS70653 [0,0,0,1,0,0|3,0,0]=4 625 B6R1.2 Cc1ccco1 TS03463 [0,0,0,1,0,0|2,0,1]=4 626 B6R1.2 Cc1cccs1 TS65607 [0,0,0,1,0,0|2,0,1]=4 627 B6R1.2 Cc1ccno1 TS71696 [0,0,0,1,0,0|3,0,0]=4 628 B6R1.2 Cc1ccoc1 TS02846 [0,0,0,1,0,0|2,0,1]=4 629 B6R1.2 Cc1ccsc1 TS70682 [0,0,0,1,0,0|2,0,1]=4 630 B6R1.2 Cc1ccsn1 TS39717 [0,0,0,1,0,0|3,0,0]=4 631 B6R1.2 c1c[nH]c(=O)[nH]1 TS03478 [0,0,0,1,0,0|2,0,1]=4 632 B6R1.2 c1c[nH]cc1Br TS40352 [0,0,0,1,0,0|2,0,1]=4 633 B6R1.2 c1c[nH]nc1Br TS09495 [0,0,0,1,0,0|3,0,0]=4 634 B6R1.2 c1c[nH]nc1N TS00451 [0,0,0,1,0,0|3,0,0]=4 635 B6R1.2 c1c[nH]nc1N TS94840 [0,0,0,1,0,0|3,0,0]=4 636 B6R1.2 c1cc(oc1)Br TS55169 [0,0,0,1,0,0|2,0,1]=4 637 B6R1.2 c1cc(sc1)Br TS55181 [0,0,0,1,0,0|2,0,1]=4 638 B6R1.2 c1cc(sc1)Cl TS04771 [0,0,0,1,0,0|2,0,1]=4 639 B6R1.2 c1cc(sc1)F TS01041 [0,0,0,1,0,0|2,0,1]=4 640 B6R1.2 c1cc(sc1)I TS07727 [0,0,0,1,0,0|2,0,1]=4 641 B6R1.2 c1cc(sc1)S TS39686 [0,0,0,1,0,0|1,1,1]=4 642 B6R1.2 c1cc(sc1)[Zn+] TS24604 [0,0,0,1,0,0|2,0,1]=4 643 B6R1.2 c1cn[nH]c1N TS55377 [0,0,0,1,0,0|3,0,0]=4 644 B6R1.2 c1cnoc1N TS85224 [0,0,0,1,0,0|3,0,0]=4 645 B6R1.2 c1coc(=O)o1 TS16828 [0,0,0,1,0,0|2,0,1]=4 646 B6R1.2 c1cocc1Br TS65944 [0,0,0,1,0,0|2,0,1]=4 647 B6R1.2 c1conc1Br TS01843 [0,0,0,1,0,0|3,0,0]=4 648 B6R1.2 c1conc1Cl TS31649 [0,0,0,1,0,0|3,0,0]=4 649 B6R1.2 c1conc1N TS65834 [0,0,0,1,0,0|3,0,0]=4 650 B6R1.2 c1cscc1Br TS09501 [0,0,0,1,0,0|2,0,1]=4 651 B6R1.2 c1cscc1Cl TS04772 [0,0,0,1,0,0|2,0,1]=4 652 B6R1.2 c1cscc1I TS70636 [0,0,0,1,0,0|2,0,1]=4 653 B6R1.2 c1cscc1N TS02675 [0,0,0,1,0,0|2,0,1]=4 654 B6R1.2 c1cscc1N TS88823 [0,0,0,1,0,0|2,0,1]=4 655 B6R1.2 c1cscc1S TS60165 [0,0,0,1,0,0|1,1,1]=4 656 B6R1.2 c1csnc1Br TS39302 [0,0,0,1,0,0|3,0,0]=4 657 B6R1.2 c1cssc1=S TS36878 [0,0,0,1,0,0|2,1,0]=4 658 B6R1.4 C1=C[C@@H]([C@@H]1Cl)Cl TS32545 [0,0,0,1,0,0|2,0,1]=4 659 B6R1.6 C1CC(C1)C=O TS03489 [0,0,0,1,0,0|2,0,1]=4 660 B6R1.8 C=C1CC1CO TS03490 [0,0,0,1,0,0|2,0,1]=4 661 B3R0.1 C#CC=O TS65569 [2,0,0,0,0,0|0,0,2]=4 662 B3R0.1 C(=CBr)Br TS48814 [2,0,0,0,0,0|2,0,0]=4 663 B3R0.1 C(=CBr)F TS36038 [2,0,0,0,0,0|2,0,0]=4 664 B3R0.1 C(=CCl)Cl TS03742 [2,0,0,0,0,0|2,0,0]=4 665 B3R0.1 C(=CCl)F TS71673 [2,0,0,0,0,0|2,0,0]=4 666 B3R0.1 C(=CF)F TS65848 [2,0,0,0,0,0|2,0,0]=4 667 B3R0.1 C(=CI)Br TS25313 [2,0,0,0,0,0|2,0,0]=4 668 B3R0.1 C(=O)C=O TS02414 [2,0,0,0,0,0|1,0,0]=3 669 B3R0.1 C(=O)C=O TS73473 [2,0,0,0,0,0|1,0,0]=3 670 B3R0.1 C(=O)NN TS02435 [2,0,0,0,0,0|2,0,0]=4 671 B3R0.1 C(=O)OO TS65600 [2,0,0,0,0,0|2,0,0]=4 672 B3R0.1 C(C=O)Cl TS15061 [2,0,0,0,0,0|1,0,0]=3 673 B3R0.1 C(C=O)Cl TS71651 [2,0,0,0,0,0|1,0,0]=3 674 B3R0.1 C(C=O)O TS02433 [2,0,0,0,0,0|1,0,0]=3 675 B3R0.1 C=CC#C TS65565 [2,0,0,0,0,0|0,0,2]=4 676 B3R0.1 C=CC#N TS85293 [2,0,0,0,0,0|1,0,1]=4 677 B3R0.1 C=CC=C TS51732 [2,0,0,0,0,0|0,0,1]=3 678 B3R0.1 C=CC=C TS65573 [2,0,0,0,0,0|0,0,1]=3 679 B3R0.1 C=CC=O TS33215 [2,0,0,0,0,0|0,0,0]=2 680 B3R0.1 C=CCBr TS39710 [2,0,0,0,0,0|1,0,0]=3 681 B3R0.1 C=CCCl TS03413 [2,0,0,0,0,0|1,0,0]=3 682 B3R0.1 C=CCF TS65583 [2,0,0,0,0,0|1,0,0]=3 683 B3R0.1 C=CCI TS93895 [2,0,0,0,0,0|1,0,0]=3 684 B3R0.1 C=CCN TS01644 [2,0,0,0,0,0|1,0,0]=3 685 B3R0.1 C=CCO TS02418 [2,0,0,0,0,0|1,0,0]=3 686 B3R0.1 C=CCS TS71619 [2,0,0,0,0,0|1,0,0]=3 687 B3R0.1 C=C[Mg]Br TS39970 [2,0,0,0,0,0|2,0,0]=4 688 B3R0.1 C=C[Mg]Cl TS03549 [2,0,0,0,0,0|2,0,0]=4 689 B3R0.1 CC=C=C TS65572 [2,0,0,0,0,0|0,0,1]=3 690 B3R0.1 CC=CBr TS00041 [2,0,0,0,0,0|1,0,0]=3 691 B3R0.1 CC=CCl TS03412 [2,0,0,0,0,0|1,0,0]=3 692 B3R0.1 CC=CCl TS03414 [2,0,0,0,0,0|1,0,0]=3 693 B3R0.1 CC=NO TS02427 [2,0,0,0,0,0|2,0,0]=4 694 B3R0.1 CCC#C TS65570 [2,0,0,0,0,0|0,0,2]=4 695 B3R0.1 CCC#N TS65577 [2,0,0,0,0,0|1,0,1]=4 696 B3R0.1 CCC=C TS02407 [2,0,0,0,0,0|0,0,0]=2 697 B3R0.1 CCC=O TS02416 [2,0,0,0,0,0|0,0,0]=2 698 B3R0.1 CCC=S TS71851 [2,0,0,0,0,0|0,1,0]=3 699 B3R0.1 CCCBr TS00040 [2,0,0,0,0,0|1,0,1]=4 700 B3R0.1 CCCCl TS71653 [2,0,0,0,0,0|1,0,1]=4 701 B3R0.1 CCCF TS65692 [2,0,0,0,0,0|1,0,1]=4 702 B3R0.1 CCCI TS45076 [2,0,0,0,0,0|1,0,1]=4 703 B3R0.1 CCCN TS02429 [2,0,0,0,0,0|1,0,1]=4 704 B3R0.1 CCCN TS03705 [2,0,0,0,0,0|1,0,1]=4 705 B3R0.1 CCCS TS03410 [2,0,0,0,0,0|0,1,1]=4 706 B3R0.1 CCC[O-] TS03458 [2,0,0,0,0,0|0,0,2]=4 707 B3R0.1 CCC[O-] TS37676 [2,0,0,0,0,0|0,0,2]=4 708 B3R0.1 CCC[O-] TS56091 [2,0,0,0,0,0|0,0,2]=4 709 B3R0.1 CCC[S-] TS03782 [2,0,0,0,0,0|0,1,1]=4 710 B3R0.1 CCNC TS03706 [2,0,0,0,0,0|1,0,1]=4 711 B3R0.1 CCNC TS16623 [2,0,0,0,0,0|1,0,1]=4 712 B3R0.1 CCNO TS64941 [2,0,0,0,0,0|1,0,1]=4 713 B3R0.1 CCOC TS65588 [2,0,0,0,0,0|1,0,1]=4 714 B3R0.1 CCON TS31411 [2,0,0,0,0,0|2,0,0]=4 715 B3R0.1 CCSC TS71648 [2,0,0,0,0,0|1,0,1]=4 716 B3R0.1 CC[Hg]Cl TS30124 [2,0,0,0,0,0|2,0,0]=4 717 B3R0.1 CC[Mg]Br TS36790 [2,0,0,0,0,0|2,0,0]=4 718 B3R0.1 CC[Mg]I TS93021 [2,0,0,0,0,0|2,0,0]=4 719 B3R0.1 CNC=O TS39915 [2,0,0,0,0,0|1,0,0]=3 720 B3R0.1 COC=C TS02419 [2,0,0,0,0,0|1,0,0]=3 721 B3R0.1 COC=O TS02434 [2,0,0,0,0,0|1,0,0]=3 722 B3R0.2 BC(=O)O TS31626 [2,0,0,0,0,0|2,0,0]=4 723 B3R0.2 BC(=O)O TS71624 [2,0,0,0,0,0|2,0,0]=4 724 B3R0.2 C(=O)(Cl)Cl TS31459 [2,0,0,0,0,0|2,0,0]=4 725 B3R0.2 C(=O)(Cl)[Au+] TS68420 [2,0,0,0,0,0|2,0,0]=4 726 B3R0.2 C(=O)(F)Cl TS71691 [2,0,0,0,0,0|2,0,0]=4 727 B3R0.2 C(=O)(F)F TS02705 [2,0,0,0,0,0|2,0,0]=4 728 B3R0.2 C(=O)(N)N TS03623 [2,0,0,0,0,0|2,0,0]=4 729 B3R0.2 C(=O)(N)N TS07204 [2,0,0,0,0,0|2,0,0]=4 730 B3R0.2 C(=O)(N)N TS32547 [2,0,0,0,0,0|2,0,0]=4 731 B3R0.2 C(=O)(N)N TS39967 [2,0,0,0,0,0|2,0,0]=4 732 B3R0.2 C(=O)(N)N TS65581 [2,0,0,0,0,0|2,0,0]=4 733 B3R0.2 C(=O)(N)O TS66709 [2,0,0,0,0,0|2,0,0]=4 734 B3R0.2 C(=O)(N)[O-] TS03427 [2,0,0,0,0,0|2,0,0]=4 735 B3R0.2 C(=O)(O)[O-] TS03472 [2,0,0,0,0,0|2,0,0]=4 736 B3R0.2 C(=O)(O)[O-] TS31493 [2,0,0,0,0,0|2,0,0]=4 737 B3R0.2 C(=O)(O)[O-] TS64311 [2,0,0,0,0,0|2,0,0]=4 738 B3R0.2 C(=O)(O)[O-] TS71655 [2,0,0,0,0,0|2,0,0]=4 739 B3R0.2 C(=O)(O)[O-] TS73178 [2,0,0,0,0,0|2,0,0]=4 740 B3R0.2 C(=O)(O)[O-] TS93155 [2,0,0,0,0,0|2,0,0]=4 741 B3R0.2 C(=O)(O)[O-] TS93188 [2,0,0,0,0,0|2,0,0]=4 742 B3R0.2 C(=O)([O-])[O-] TS03387 [2,0,0,0,0,0|2,0,0]=4 743 B3R0.2 C(=O)([O-])[O-] TS03713 [2,0,0,0,0,0|2,0,0]=4 744 B3R0.2 C(=O)([O-])[O-] TS04776 [2,0,0,0,0,0|2,0,0]=4 745 B3R0.2 C(=O)([O-])[O-] TS04890 [2,0,0,0,0,0|2,0,0]=4 746 B3R0.2 C(=O)([O-])[O-] TS04999 [2,0,0,0,0,0|2,0,0]=4 747 B3R0.2 C(=O)([O-])[O-] TS06152 [2,0,0,0,0,0|2,0,0]=4 748 B3R0.2 C(=O)([O-])[O-] TS07394 [2,0,0,0,0,0|2,0,0]=4 749 B3R0.2 C(=O)([O-])[O-] TS10713 [2,0,0,0,0,0|2,0,0]=4 750 B3R0.2 C(=O)([O-])[O-] TS13249 [2,0,0,0,0,0|2,0,0]=4 751 B3R0.2 C(=O)([O-])[O-] TS31492 [2,0,0,0,0,0|2,0,0]=4 752 B3R0.2 C(=O)([O-])[O-] TS31721 [2,0,0,0,0,0|2,0,0]=4 753 B3R0.2 C(=O)([O-])[O-] TS32136 [2,0,0,0,0,0|2,0,0]=4 754 B3R0.2 C(=O)([O-])[O-] TS34910 [2,0,0,0,0,0|2,0,0]=4 755 B3R0.2 C(=O)([O-])[O-] TS36076 [2,0,0,0,0,0|2,0,0]=4 756 B3R0.2 C(=O)([O-])[O-] TS37206 [2,0,0,0,0,0|2,0,0]=4 757 B3R0.2 C(=O)([O-])[O-] TS39946 [2,0,0,0,0,0|2,0,0]=4 758 B3R0.2 C(=O)([O-])[O-] TS40137 [2,0,0,0,0,0|2,0,0]=4 759 B3R0.2 C(=O)([O-])[O-] TS59750 [2,0,0,0,0,0|2,0,0]=4 760 B3R0.2 C(=O)([O-])[O-] TS66263 [2,0,0,0,0,0|2,0,0]=4 761 B3R0.2 C(=O)([O-])[O-] TS71725 [2,0,0,0,0,0|2,0,0]=4 762 B3R0.2 C(=O)([O-])[O-] TS72053 [2,0,0,0,0,0|2,0,0]=4 763 B3R0.2 C(=O)([O-])[O-] TS72210 [2,0,0,0,0,0|2,0,0]=4 764 B3R0.2 C(=O)([O-])[O-] TS72393 [2,0,0,0,0,0|2,0,0]=4 765 B3R0.2 C(=O)([O-])[O-] TS72461 [2,0,0,0,0,0|2,0,0]=4 766 B3R0.2 C(=O)([O-])[O-] TS72660 [2,0,0,0,0,0|2,0,0]=4 767 B3R0.2 C(=O)([O-])[O-] TS73030 [2,0,0,0,0,0|2,0,0]=4 768 B3R0.2 C(=O)([O-])[O-] TS73353 [2,0,0,0,0,0|2,0,0]=4 769 B3R0.2 C(=O)([O-])[O-] TS75534 [2,0,0,0,0,0|2,0,0]=4 770 B3R0.2 C(=O)([O-])[O-] TS83041 [2,0,0,0,0,0|2,0,0]=4 771 B3R0.2 C(=O)([O-])[O-] TS83243 [2,0,0,0,0,0|2,0,0]=4 772 B3R0.2 C(=O)([O-])[O-] TS83378 [2,0,0,0,0,0|2,0,0]=4 773 B3R0.2 C(=O)([O-])[O-] TS83401 [2,0,0,0,0,0|2,0,0]=4 774 B3R0.2 C(=O)([O-])[O-] TS83551 [2,0,0,0,0,0|2,0,0]=4 775 B3R0.2 C(=O)([O-])[O-] TS83636 [2,0,0,0,0,0|2,0,0]=4 776 B3R0.2 C(=O)([O-])[O-] TS84117 [2,0,0,0,0,0|2,0,0]=4 777 B3R0.2 C(=O)([O-])[O-] TS93144 [2,0,0,0,0,0|2,0,0]=4 778 B3R0.2 C(=O)([O-])[O-] TS93580 [2,0,0,0,0,0|2,0,0]=4 779 B3R0.2 C(=O)([O-])[O-] TS94687 [2,0,0,0,0,0|2,0,0]=4 780 B3R0.2 C(=O)([O-])[O-] TS94697 [2,0,0,0,0,0|2,0,0]=4 781 B3R0.2 C(=O)([O-])[O-] TS94719 [2,0,0,0,0,0|2,0,0]=4 782 B3R0.2 C(=O)([O-])[O-] TS94721 [2,0,0,0,0,0|2,0,0]=4 783 B3R0.2 C(=O)([O-])[O-] TS94747 [2,0,0,0,0,0|2,0,0]=4 784 B3R0.2 C=C(Br)Br TS48813 [2,0,0,0,0,0|2,0,0]=4 785 B3R0.2 C=C(Cl)Cl TS03743 [2,0,0,0,0,0|2,0,0]=4 786 B3R0.2 C=C(F)Br TS36039 [2,0,0,0,0,0|2,0,0]=4 787 B3R0.2 C=C(F)Cl TS71674 [2,0,0,0,0,0|2,0,0]=4 788 B3R0.2 C=C(F)F TS02633 [2,0,0,0,0,0|2,0,0]=4 789 B3R0.2 CC(=C)Br TS04851 [2,0,0,0,0,0|1,0,0]=3 790 B3R0.2 CC(=C)C TS02408 [2,0,0,0,0,0|1,0,0]=3 791 B3R0.2 CC(=C)C TS12599 [2,0,0,0,0,0|1,0,0]=3 792 B3R0.2 CC(=C)F TS65582 [2,0,0,0,0,0|1,0,0]=3 793 B3R0.2 CC(=C)I TS43297 [2,0,0,0,0,0|1,0,0]=3 794 B3R0.2 CC(=N)N TS01338 [2,0,0,0,0,0|2,0,0]=4 795 B3R0.2 CC(=N)N TS32338 [2,0,0,0,0,0|2,0,0]=4 796 B3R0.2 CC(=O)Br TS32543 [2,0,0,0,0,0|1,0,0]=3 797 B3R0.2 CC(=O)C TS02420 [2,0,0,0,0,0|0,0,1]=3 798 B3R0.2 CC(=O)C TS42396 [2,0,0,0,0,0|0,0,1]=3 799 B3R0.2 CC(=O)Cl TS71652 [2,0,0,0,0,0|1,0,0]=3 800 B3R0.2 CC(=O)F TS65601 [2,0,0,0,0,0|1,0,0]=3 801 B3R0.2 CC(=O)I TS45073 [2,0,0,0,0,0|1,0,0]=3 802 B3R0.2 CC(=O)N TS02426 [2,0,0,0,0,0|1,0,0]=3 803 B3R0.2 CC(=O)O TS02283 [2,0,0,0,0,0|1,0,0]=3 804 B3R0.2 CC(=O)O TS02432 [2,0,0,0,0,0|1,0,0]=3 805 B3R0.2 CC(=O)O TS06643 [2,0,0,0,0,0|1,0,0]=3 806 B3R0.2 CC(=O)O TS08541 [2,0,0,0,0,0|1,0,0]=3 807 B3R0.2 CC(=O)O TS32397 [2,0,0,0,0,0|1,0,0]=3 808 B3R0.2 CC(=O)O TS65594 [2,0,0,0,0,0|1,0,0]=3 809 B3R0.2 CC(=O)[O-] TS00235 [2,0,0,0,0,0|1,0,0]=3 810 B3R0.2 CC(=O)[O-] TS01392 [2,0,0,0,0,0|1,0,0]=3 811 B3R0.2 CC(=O)[O-] TS03418 [2,0,0,0,0,0|1,0,0]=3 812 B3R0.2 CC(=O)[O-] TS03456 [2,0,0,0,0,0|1,0,0]=3 813 B3R0.2 CC(=O)[O-] TS04787 [2,0,0,0,0,0|1,0,0]=3 814 B3R0.2 CC(=O)[O-] TS04947 [2,0,0,0,0,0|1,0,0]=3 815 B3R0.2 CC(=O)[O-] TS06035 [2,0,0,0,0,0|1,0,0]=3 816 B3R0.2 CC(=O)[O-] TS13953 [2,0,0,0,0,0|1,0,0]=3 817 B3R0.2 CC(=O)[O-] TS18902 [2,0,0,0,0,0|1,0,0]=3 818 B3R0.2 CC(=O)[O-] TS26452 [2,0,0,0,0,0|1,0,0]=3 819 B3R0.2 CC(=O)[O-] TS27546 [2,0,0,0,0,0|1,0,0]=3 820 B3R0.2 CC(=O)[O-] TS29951 [2,0,0,0,0,0|1,0,0]=3 821 B3R0.2 CC(=O)[O-] TS38928 [2,0,0,0,0,0|1,0,0]=3 822 B3R0.2 CC(=O)[O-] TS41886 [2,0,0,0,0,0|1,0,0]=3 823 B3R0.2 CC(=O)[O-] TS43176 [2,0,0,0,0,0|1,0,0]=3 824 B3R0.2 CC(=O)[O-] TS45710 [2,0,0,0,0,0|1,0,0]=3 825 B3R0.2 CC(=O)[O-] TS49663 [2,0,0,0,0,0|1,0,0]=3 826 B3R0.2 CC(=O)[O-] TS55806 [2,0,0,0,0,0|1,0,0]=3 827 B3R0.2 CC(=O)[O-] TS58868 [2,0,0,0,0,0|1,0,0]=3 828 B3R0.2 CC(=O)[O-] TS59815 [2,0,0,0,0,0|1,0,0]=3 829 B3R0.2 CC(=O)[O-] TS62641 [2,0,0,0,0,0|1,0,0]=3 830 B3R0.2 CC(=O)[O-] TS62666 [2,0,0,0,0,0|1,0,0]=3 831 B3R0.2 CC(=O)[O-] TS63478 [2,0,0,0,0,0|1,0,0]=3 832 B3R0.2 CC(=O)[O-] TS64101 [2,0,0,0,0,0|1,0,0]=3 833 B3R0.2 CC(=O)[O-] TS65998 [2,0,0,0,0,0|1,0,0]=3 834 B3R0.2 CC(=O)[O-] TS69697 [2,0,0,0,0,0|1,0,0]=3 835 B3R0.2 CC(=O)[O-] TS69754 [2,0,0,0,0,0|1,0,0]=3 836 B3R0.2 CC(=O)[O-] TS69943 [2,0,0,0,0,0|1,0,0]=3 837 B3R0.2 CC(=O)[O-] TS72196 [2,0,0,0,0,0|1,0,0]=3 838 B3R0.2 CC(=O)[O-] TS73462 [2,0,0,0,0,0|1,0,0]=3 839 B3R0.2 CC(=O)[O-] TS73694 [2,0,0,0,0,0|1,0,0]=3 840 B3R0.2 CC(=O)[O-] TS76815 [2,0,0,0,0,0|1,0,0]=3 841 B3R0.2 CC(=O)[O-] TS77303 [2,0,0,0,0,0|1,0,0]=3 842 B3R0.2 CC(=O)[O-] TS78087 [2,0,0,0,0,0|1,0,0]=3 843 B3R0.2 CC(=O)[O-] TS78184 [2,0,0,0,0,0|1,0,0]=3 844 B3R0.2 CC(=O)[O-] TS78238 [2,0,0,0,0,0|1,0,0]=3 845 B3R0.2 CC(=O)[O-] TS78451 [2,0,0,0,0,0|1,0,0]=3 846 B3R0.2 CC(=O)[O-] TS78756 [2,0,0,0,0,0|1,0,0]=3 847 B3R0.2 CC(=O)[O-] TS78836 [2,0,0,0,0,0|1,0,0]=3 848 B3R0.2 CC(=O)[O-] TS79224 [2,0,0,0,0,0|1,0,0]=3 849 B3R0.2 CC(=O)[O-] TS79279 [2,0,0,0,0,0|1,0,0]=3 850 B3R0.2 CC(=O)[O-] TS79965 [2,0,0,0,0,0|1,0,0]=3 851 B3R0.2 CC(=O)[O-] TS80560 [2,0,0,0,0,0|1,0,0]=3 852 B3R0.2 CC(=O)[O-] TS81725 [2,0,0,0,0,0|1,0,0]=3 853 B3R0.2 CC(=O)[O-] TS82231 [2,0,0,0,0,0|1,0,0]=3 854 B3R0.2 CC(=O)[O-] TS93749 [2,0,0,0,0,0|1,0,0]=3 855 B3R0.2 CC(=O)[O-] TS94725 [2,0,0,0,0,0|1,0,0]=3 856 B3R0.2 CC(=O)[O-] TS94733 [2,0,0,0,0,0|1,0,0]=3 857 B3R0.2 CC(=S)N TS01726 [2,0,0,0,0,0|1,1,0]=4 858 B3R0.2 CC(=S)O TS71644 [2,0,0,0,0,0|1,0,1]=4 859 B3R0.2 CC(=S)[O-] TS00248 [2,0,0,0,0,0|1,0,1]=4 860 B3R0.2 CS(=O)[O-] TS93511 [2,0,0,0,0,0|2,0,0]=4 861 B3R0.2 C[N+](=C)C TS15411 [2,0,0,0,0,0|2,0,0]=4 862 B3R0.2 C[N+](=O)[O-] TS65593 [2,0,0,0,0,0|2,0,0]=4 863 B3R0.2 C[Sn](=O)C TS42834 [2,0,0,0,0,0|1,0,1]=4 864 B3R0.2 [2H]C(=O)[O-] TS03081 [2,0,0,0,0,0|2,0,0]=4 865 B5R0.1 C#CCC(=O)O TS03477 [1,1,0,0,0,0|1,0,1]=4 866 B5R0.1 C(=CCl)C(=O)O TS31733 [1,1,0,0,0,0|1,0,0]=3 867 B5R0.1 C(=CCl)C(=O)O TS59459 [1,1,0,0,0,0|1,0,0]=3 868 B5R0.1 C(=CI)C(=O)O TS53940 [1,1,0,0,0,0|1,0,0]=3 869 B5R0.1 C(=O)NC(=O)N TS71797 [1,1,0,0,0,0|2,0,0]=4 870 B5R0.1 C(C#N)C(=O)N TS00078 [1,1,0,0,0,0|1,0,1]=4 871 B5R0.1 C(C#N)C(=O)O TS71730 [1,1,0,0,0,0|1,0,1]=4 872 B5R0.1 C(CBr)C(=N)N TS40973 [1,1,0,0,0,0|2,0,0]=4 873 B5R0.1 C(CBr)C(=O)N TS10109 [1,1,0,0,0,0|1,0,0]=3 874 B5R0.1 C(CBr)C(=O)O TS09493 [1,1,0,0,0,0|1,0,0]=3 875 B5R0.1 C(CCl)C(=O)Cl TS00146 [1,1,0,0,0,0|1,0,0]=3 876 B5R0.1 C(CCl)C(=O)N TS04118 [1,1,0,0,0,0|1,0,0]=3 877 B5R0.1 C(CCl)C(=O)O TS04159 [1,1,0,0,0,0|1,0,0]=3 878 B5R0.1 C(CI)C(=O)O TS18918 [1,1,0,0,0,0|1,0,0]=3 879 B5R0.1 C(CN)C(=O)N TS36032 [1,1,0,0,0,0|1,0,0]=3 880 B5R0.1 C(CN)C(=O)O TS02667 [1,1,0,0,0,0|1,0,0]=3 881 B5R0.1 C(CO)C(=O)O TS16373 [1,1,0,0,0,0|1,0,0]=3 882 B5R0.1 C(CO)[N+](=O)[O-] TS01787 [1,1,0,0,0,0|2,0,0]=4 883 B5R0.1 C(CP(=O)O)N TS94065 [1,1,0,0,0,0|2,0,0]=4 884 B5R0.1 C(CS(=O)O)N TS31804 [1,1,0,0,0,0|2,0,0]=4 885 B5R0.1 C(CS)C(=O)O TS04091 [1,1,0,0,0,0|1,0,0]=3 886 B5R0.1 C(OC(=O)Cl)Cl TS36381 [1,1,0,0,0,0|2,0,0]=4 887 B5R0.1 C(SC(=O)N)Cl TS36084 [1,1,0,0,0,0|2,0,0]=4 888 B5R0.1 C=C(CCO)Br TS40970 [1,1,0,0,0,0|1,0,0]=3 889 B5R0.1 C=CCC(=O)O TS03525 [1,1,0,0,0,0|1,0,0]=3 890 B5R0.1 C=CCP(=O)O TS31725 [1,1,0,0,0,0|2,0,0]=4 891 B5R0.1 C=CNC(=O)N TS71741 [1,1,0,0,0,0|1,0,0]=3 892 B5R0.1 C=COC(=O)Cl TS31731 [1,1,0,0,0,0|1,0,0]=3 893 B5R0.1 C=COC(=O)N TS03553 [1,1,0,0,0,0|1,0,0]=3 894 B5R0.1 CC#CC(=C)C TS71668 [1,1,0,0,0,0|1,0,1]=4 895 B5R0.1 CC#CC(=O)O TS55183 [1,1,0,0,0,0|1,0,1]=4 896 B5R0.1 CC(=C)CC#N TS03447 [1,1,0,0,0,0|1,0,1]=4 897 B5R0.1 CC(=C)CCO TS71766 [1,1,0,0,0,0|1,0,0]=3 898 B5R0.1 CC(=CC#N)N TS65880 [1,1,0,0,0,0|1,0,1]=4 899 B5R0.1 CC(=CC=C)C TS03470 [1,1,0,0,0,0|1,0,0]=3 900 B5R0.1 CC(=CC=O)C TS03497 [1,1,0,0,0,0|1,0,0]=3 901 B5R0.1 CC(=CCBr)C TS00408 [1,1,0,0,0,0|1,0,1]=4 902 B5R0.1 CC(=CCCl)C TS00047 [1,1,0,0,0,0|1,0,1]=4 903 B5R0.1 CC(=CCN)C TS04881 [1,1,0,0,0,0|1,0,1]=4 904 B5R0.1 CC(=CCN)C TS63606 [1,1,0,0,0,0|1,0,1]=4 905 B5R0.1 CC(=CCN)C TS70656 [1,1,0,0,0,0|1,0,1]=4 906 B5R0.1 CC(=CCO)C TS71763 [1,1,0,0,0,0|1,0,1]=4 907 B5R0.1 CC(=CCO)Cl TS31734 [1,1,0,0,0,0|1,0,1]=4 908 B5R0.1 CC(=CCS)C TS03985 [1,1,0,0,0,0|1,0,1]=4 909 B5R0.1 CC(=C[Mg]Br)C TS42096 [1,1,0,0,0,0|2,0,0]=4 910 B5R0.1 CC(=C[SiH2]Cl)C TS04849 [1,1,0,0,0,0|1,1,0]=4 911 B5R0.1 CC(=O)C=NO TS03554 [1,1,0,0,0,0|1,0,0]=3 912 B5R0.1 CC(=O)CC#N TS04063 [1,1,0,0,0,0|0,0,2]=4 913 B5R0.1 CC(=O)CCO TS39752 [1,1,0,0,0,0|0,0,1]=3 914 B5R0.1 CC(=O)CCS TS31678 [1,1,0,0,0,0|0,0,1]=3 915 B5R0.1 CC(=O)COC TS03573 [1,1,0,0,0,0|0,0,1]=3 916 B5R0.1 CC(=O)CSC TS31685 [1,1,0,0,0,0|0,0,1]=3 917 B5R0.1 CC(=O)NCO TS08902 [1,1,0,0,0,0|1,0,1]=4 918 B5R0.1 CC(=O)NSC TS31708 [1,1,0,0,0,0|1,0,1]=4 919 B5R0.1 CC(=O)OC=C TS03528 [1,1,0,0,0,0|0,0,0]=2 920 B5R0.1 CC(=O)OC=O TS71794 [1,1,0,0,0,0|1,0,0]=3 921 B5R0.1 CC(=O)OCBr TS16534 [1,1,0,0,0,0|1,0,1]=4 922 B5R0.1 CC(=O)OCCl TS55809 [1,1,0,0,0,0|1,0,1]=4 923 B5R0.1 CC(=O)O[Hg]C TS30965 [1,1,0,0,0,0|1,0,1]=4 924 B5R0.1 CC(C)OC=C TS03534 [1,1,0,0,0,0|1,0,1]=4 925 B5R0.1 CC(CC=C)O TS71743 [1,1,0,0,0,0|0,0,2]=4 926 B5R0.1 CC=CC(=O)C TS03499 [1,1,0,0,0,0|0,0,0]=2 927 B5R0.1 CC=CC(=O)Cl TS04051 [1,1,0,0,0,0|1,0,0]=3 928 B5R0.1 CC=CC(=O)N TS03508 [1,1,0,0,0,0|1,0,0]=3 929 B5R0.1 CC=CC(=O)O TS03526 [1,1,0,0,0,0|1,0,0]=3 930 B5R0.1 CC=CC(=O)[O-] TS05036 [1,1,0,0,0,0|1,0,0]=3 931 B5R0.1 CC=CC(C)C TS71719 [1,1,0,0,0,0|1,0,1]=4 932 B5R0.1 CC=CC(C)O TS71747 [1,1,0,0,0,0|0,0,2]=4 933 B5R0.1 CCC=C(C)C TS71718 [1,1,0,0,0,0|1,0,1]=4 934 B5R0.1 CCC=C(F)F TS03652 [1,1,0,0,0,0|2,0,0]=4 935 B5R0.1 CCCC(=C)C TS71722 [1,1,0,0,0,0|1,0,0]=3 936 B5R0.1 CCCC(=N)N TS03542 [1,1,0,0,0,0|2,0,0]=4 937 B5R0.1 CCCC(=N)N TS04952 [1,1,0,0,0,0|2,0,0]=4 938 B5R0.1 CCCC(=O)Br TS40964 [1,1,0,0,0,0|1,0,0]=3 939 B5R0.1 CCCC(=O)C TS71754 [1,1,0,0,0,0|0,0,1]=3 940 B5R0.1 CCCC(=O)Cl TS16539 [1,1,0,0,0,0|1,0,0]=3 941 B5R0.1 CCCC(=O)N TS03561 [1,1,0,0,0,0|1,0,0]=3 942 B5R0.1 CCCC(=O)O TS03572 [1,1,0,0,0,0|1,0,0]=3 943 B5R0.1 CCCC(=O)O TS63934 [1,1,0,0,0,0|1,0,0]=3 944 B5R0.1 CCCC(=O)[O-] TS04184 [1,1,0,0,0,0|1,0,0]=3 945 B5R0.1 CCCC(=O)[O-] TS04232 [1,1,0,0,0,0|1,0,0]=3 946 B5R0.1 CCCC(=O)[O-] TS44539 [1,1,0,0,0,0|1,0,0]=3 947 B5R0.1 CCCC(=S)Cl TS37257 [1,1,0,0,0,0|1,1,0]=4 948 B5R0.1 CCCC(=S)O TS04825 [1,1,0,0,0,0|1,0,1]=4 949 B5R0.1 CCC[N+](=O)[O-] TS71821 [1,1,0,0,0,0|2,0,0]=4 950 B5R0.1 CCNC(=N)N TS04994 [1,1,0,0,0,0|2,0,0]=4 951 B5R0.1 CCNC(=O)C TS03563 [1,1,0,0,0,0|0,0,1]=3 952 B5R0.1 CCNC(=O)N TS03591 [1,1,0,0,0,0|1,0,0]=3 953 B5R0.1 CCNC(=S)N TS31687 [1,1,0,0,0,0|1,1,0]=4 954 B5R0.1 CCNC(=[NH2+])N TS56393 [1,1,0,0,0,0|2,0,0]=4 955 B5R0.1 CCOC(=C)C TS71753 [1,1,0,0,0,0|1,0,0]=3 956 B5R0.1 CCOC(=O)C TS03585 [1,1,0,0,0,0|0,0,1]=3 957 B5R0.1 CCOC(=O)C TS03625 [1,1,0,0,0,0|0,0,1]=3 958 B5R0.1 CCOC(=O)C TS71827 [1,1,0,0,0,0|0,0,1]=3 959 B5R0.1 CCOC(=O)Cl TS56143 [1,1,0,0,0,0|1,0,0]=3 960 B5R0.1 CCOC(=O)N TS59479 [1,1,0,0,0,0|1,0,0]=3 961 B5R0.1 CCOC(=S)C TS31684 [1,1,0,0,0,0|0,1,1]=4 962 B5R0.1 CCOC(=S)Cl TS36034 [1,1,0,0,0,0|1,1,0]=4 963 B5R0.1 CCSC(=S)C TS32440 [1,1,0,0,0,0|0,1,1]=4 964 B5R0.1 CN(C)CC=C TS56352 [1,1,0,0,0,0|2,0,0]=4 965 B5R0.1 CNCC(=O)N TS36031 [1,1,0,0,0,0|1,0,0]=3 966 B5R0.1 CNCC(=O)O TS34582 [1,1,0,0,0,0|1,0,0]=3 967 B5R0.1 CNCC(=O)O TS36080 [1,1,0,0,0,0|1,0,0]=3 968 B5R0.1 CNCC(=O)[O-] TS04231 [1,1,0,0,0,0|1,0,0]=3 969 B5R0.1 COCC(=N)N TS36030 [1,1,0,0,0,0|2,0,0]=4 970 B5R0.1 COCC(=O)O TS03620 [1,1,0,0,0,0|1,0,0]=3 971 B5R0.1 CSCC(=N)N TS31686 [1,1,0,0,0,0|2,0,0]=4 972 B5R0.1 CSCC(=O)N TS93570 [1,1,0,0,0,0|1,0,0]=3 973 B5R0.1 CSCS(=O)C TS05065 [1,1,0,0,0,0|1,0,1]=4 974 B5R0.1 C[C@H](CC=C)O TS03535 [1,1,0,0,0,0|0,0,2]=4 975 B5R0.1 C[SiH](C)CC=C TS03888 [1,1,0,0,0,0|1,1,0]=4 976 B5R0.4 C=CP(=O)(O)O TS04128 [1,1,0,0,0,0|2,0,0]=4 977 B5R0.4 C=CS(=O)(=O)O TS31764 [1,1,0,0,0,0|2,0,0]=4 978 B5R0.4 C=CS(=O)(=O)[O-] TS36457 [1,1,0,0,0,0|2,0,0]=4 979 B5R0.4 CC(C)(C)C=C TS71723 [1,1,0,0,0,0|1,0,1]=4 980 B5R0.4 CC(C)(C=C)Cl TS04056 [1,1,0,0,0,0|1,0,1]=4 981 B5R0.4 CC(C)(C=C)O TS71761 [1,1,0,0,0,0|0,0,2]=4 982 B5R0.4 CCP(=O)(O)O TS04177 [1,1,0,0,0,0|2,0,0]=4 983 B5R0.4 CCS(=O)(=O)C TS31782 [1,1,0,0,0,0|1,0,1]=4 984 B5R0.4 CCS(=O)(=O)Cl TS36380 [1,1,0,0,0,0|2,0,0]=4 985 B5R0.4 CCS(=O)(=O)N TS01909 [1,1,0,0,0,0|2,0,0]=4 986 B5R0.4 CCS(=O)(=O)O TS31833 [1,1,0,0,0,0|2,0,0]=4 987 B5R0.4 CCS(=O)(=O)[O-] TS93866 [1,1,0,0,0,0|2,0,0]=4 988 B5R0.4 CS(=O)(=O)C=C TS04093 [1,1,0,0,0,0|1,0,0]=3 989 B5R0.4 C[Si](C)(C)C=C TS03889 [1,1,0,0,0,0|1,1,0]=4 990 B5R0.4 C[Si](C)(C=C)F TS31688 [1,1,0,0,0,0|1,1,0]=4 991 B5R0.5 C(=O)(C(=O)Cl)Cl TS39922 [1,1,0,0,0,0|2,0,0]=4 992 B5R0.5 C(=O)(C(=O)F)F TS71886 [1,1,0,0,0,0|2,0,0]=4 993 B5R0.5 C(=O)(C(=O)N)N TS03568 [1,1,0,0,0,0|2,0,0]=4 994 B5R0.5 C(=O)(C(=O)O)N TS01624 [1,1,0,0,0,0|2,0,0]=4 995 B5R0.5 C(=O)(C(=O)O)O TS03614 [1,1,0,0,0,0|2,0,0]=4 996 B5R0.5 C(=O)(C(=O)O)O TS07631 [1,1,0,0,0,0|2,0,0]=4 997 B5R0.5 C(=O)(C(=O)O)O TS11826 [1,1,0,0,0,0|2,0,0]=4 998 B5R0.5 C(=O)(C(=O)O)O TS40816 [1,1,0,0,0,0|2,0,0]=4 999 B5R0.5 C(=O)(C(=O)O)O TS63351 [1,1,0,0,0,0|2,0,0]=4 1000 B5R0.5 C(=O)(C(=O)[O-])N TS04229 [1,1,0,0,0,0|2,0,0]=4 1001 B5R0.5 C(=O)(C(=O)[O-])N TS36215 [1,1,0,0,0,0|2,0,0]=4 1002 B5R0.5 C(=O)(C(=O)[O-])O TS05512 [1,1,0,0,0,0|2,0,0]=4 1003 B5R0.5 C(=O)(C(=O)[O-])O TS36266 [1,1,0,0,0,0|2,0,0]=4 1004 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05006 [1,1,0,0,0,0|2,0,0]=4 1005 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05857 [1,1,0,0,0,0|2,0,0]=4 1006 B5R0.5 C(=O)(C(=O)[O-])[O-] TS06648 [1,1,0,0,0,0|2,0,0]=4 1007 B5R0.5 C(=O)(C(=O)[O-])[O-] TS13762 [1,1,0,0,0,0|2,0,0]=4 1008 B5R0.5 C(=O)(C(=O)[O-])[O-] TS14333 [1,1,0,0,0,0|2,0,0]=4 1009 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15086 [1,1,0,0,0,0|2,0,0]=4 1010 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15286 [1,1,0,0,0,0|2,0,0]=4 1011 B5R0.5 C(=O)(C(=O)[O-])[O-] TS17741 [1,1,0,0,0,0|2,0,0]=4 1012 B5R0.5 C(=O)(C(=O)[O-])[O-] TS20296 [1,1,0,0,0,0|2,0,0]=4 1013 B5R0.5 C(=O)(C(=O)[O-])[O-] TS24300 [1,1,0,0,0,0|2,0,0]=4 1014 B5R0.5 C(=O)(C(=O)[O-])[O-] TS31568 [1,1,0,0,0,0|2,0,0]=4 1015 B5R0.5 C(=O)(C(=O)[O-])[O-] TS35772 [1,1,0,0,0,0|2,0,0]=4 1016 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72048 [1,1,0,0,0,0|2,0,0]=4 1017 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72503 [1,1,0,0,0,0|2,0,0]=4 1018 B5R0.5 C(=O)(C(=O)[O-])[O-] TS73371 [1,1,0,0,0,0|2,0,0]=4 1019 B5R0.5 C(=O)(C(=O)[O-])[O-] TS74979 [1,1,0,0,0,0|2,0,0]=4 1020 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75113 [1,1,0,0,0,0|2,0,0]=4 1021 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75293 [1,1,0,0,0,0|2,0,0]=4 1022 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75342 [1,1,0,0,0,0|2,0,0]=4 1023 B5R0.5 C(=O)(C(=O)[O-])[O-] TS78240 [1,1,0,0,0,0|2,0,0]=4 1024 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83830 [1,1,0,0,0,0|2,0,0]=4 1025 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83860 [1,1,0,0,0,0|2,0,0]=4 1026 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83891 [1,1,0,0,0,0|2,0,0]=4 1027 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84091 [1,1,0,0,0,0|2,0,0]=4 1028 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84176 [1,1,0,0,0,0|2,0,0]=4 1029 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84599 [1,1,0,0,0,0|2,0,0]=4 1030 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84655 [1,1,0,0,0,0|2,0,0]=4 1031 B5R0.5 C(=O)(C(=O)[O-])[O-] TS94729 [1,1,0,0,0,0|2,0,0]=4 1032 B5R0.5 C(C(=O)Cl)(Cl)Cl TS07381 [1,1,0,0,0,0|2,0,0]=4 1033 B5R0.5 C(C(=O)Cl)(F)Cl TS36580 [1,1,0,0,0,0|2,0,0]=4 1034 B5R0.5 C(C(=O)Cl)(F)F TS32127 [1,1,0,0,0,0|2,0,0]=4 1035 B5R0.5 C(C(=O)F)(Cl)Cl TS36581 [1,1,0,0,0,0|2,0,0]=4 1036 B5R0.5 C(C(=O)F)(F)Cl TS32128 [1,1,0,0,0,0|2,0,0]=4 1037 B5R0.5 C(C(=O)F)(F)F TS31418 [1,1,0,0,0,0|2,0,0]=4 1038 B5R0.5 C(C(=O)N)(Cl)Cl TS05298 [1,1,0,0,0,0|2,0,0]=4 1039 B5R0.5 C(C(=O)N)(F)Br TS41564 [1,1,0,0,0,0|2,0,0]=4 1040 B5R0.5 C(C(=O)N)(F)Cl TS31896 [1,1,0,0,0,0|2,0,0]=4 1041 B5R0.5 C(C(=O)N)(F)F TS03689 [1,1,0,0,0,0|2,0,0]=4 1042 B5R0.5 C(C(=O)N)(F)I TS38361 [1,1,0,0,0,0|2,0,0]=4 1043 B5R0.5 C(C(=O)O)(Br)Br TS22308 [1,1,0,0,0,0|2,0,0]=4 1044 B5R0.5 C(C(=O)O)(Cl)Br TS45685 [1,1,0,0,0,0|2,0,0]=4 1045 B5R0.5 C(C(=O)O)(F)Cl TS31986 [1,1,0,0,0,0|2,0,0]=4 1046 B5R0.5 C(C(=O)O)(F)F TS01438 [1,1,0,0,0,0|2,0,0]=4 1047 B5R0.5 C(C(=O)[O-])(Cl)Cl TS55848 [1,1,0,0,0,0|2,0,0]=4 1048 B5R0.5 C(C(=O)[O-])(F)Br TS14323 [1,1,0,0,0,0|2,0,0]=4 1049 B5R0.5 C(C(=O)[O-])(F)Cl TS05935 [1,1,0,0,0,0|2,0,0]=4 1050 B5R0.5 C(C(=O)[O-])(F)F TS31570 [1,1,0,0,0,0|2,0,0]=4 1051 B5R0.5 C=C(C(=O)Cl)F TS04157 [1,1,0,0,0,0|1,0,0]=3 1052 B5R0.5 C=C(C(=O)O)Br TS40957 [1,1,0,0,0,0|1,0,0]=3 1053 B5R0.5 C=C(C(=O)O)Cl TS31732 [1,1,0,0,0,0|1,0,0]=3 1054 B5R0.5 C=C(C(=O)O)F TS03616 [1,1,0,0,0,0|1,0,0]=3 1055 B5R0.5 C=C(C(=O)[O-])Cl TS36375 [1,1,0,0,0,0|1,0,0]=3 1056 B5R0.5 CC(=C(C)Br)C TS07531 [1,1,0,0,0,0|1,0,1]=4 1057 B5R0.5 CC(=C(C)C)C TS71721 [1,1,0,0,0,0|1,0,1]=4 1058 B5R0.5 CC(=C(C)[NH3+])C TS04005 [1,1,0,0,0,0|1,0,1]=4 1059 B5R0.5 CC(=C(Cl)Cl)Cl TS07132 [1,1,0,0,0,0|2,0,0]=4 1060 B5R0.5 CC(=C)C(=C)C TS71685 [1,1,0,0,0,0|1,0,0]=3 1061 B5R0.5 CC(=C)C(=O)C TS03485 [1,1,0,0,0,0|0,0,0]=2 1062 B5R0.5 CC(=C)C(=O)Cl TS56226 [1,1,0,0,0,0|1,0,0]=3 1063 B5R0.5 CC(=C)C(=O)F TS03570 [1,1,0,0,0,0|1,0,0]=3 1064 B5R0.5 CC(=C)C(=O)N TS71737 [1,1,0,0,0,0|1,0,0]=3 1065 B5R0.5 CC(=C)C(=O)O TS56224 [1,1,0,0,0,0|1,0,0]=3 1066 B5R0.5 CC(=C)C(=O)[O-] TS03649 [1,1,0,0,0,0|1,0,0]=3 1067 B5R0.5 CC(=C)C(=O)[O-] TS04134 [1,1,0,0,0,0|1,0,0]=3 1068 B5R0.5 CC(=C)C(=O)[O-] TS17588 [1,1,0,0,0,0|1,0,0]=3 1069 B5R0.5 CC(=C)C(=O)[O-] TS17954 [1,1,0,0,0,0|1,0,0]=3 1070 B5R0.5 CC(=C)C(=O)[O-] TS20934 [1,1,0,0,0,0|1,0,0]=3 1071 B5R0.5 CC(=C)C(=O)[O-] TS25799 [1,1,0,0,0,0|1,0,0]=3 1072 B5R0.5 CC(=C)C(=O)[O-] TS35997 [1,1,0,0,0,0|1,0,0]=3 1073 B5R0.5 CC(=C)C(=O)[O-] TS45223 [1,1,0,0,0,0|1,0,0]=3 1074 B5R0.5 CC(=C)C(=O)[O-] TS60851 [1,1,0,0,0,0|1,0,0]=3 1075 B5R0.5 CC(=C)C(=O)[O-] TS67081 [1,1,0,0,0,0|1,0,0]=3 1076 B5R0.5 CC(=C)C(=O)[O-] TS68528 [1,1,0,0,0,0|1,0,0]=3 1077 B5R0.5 CC(=C)C(=O)[O-] TS70135 [1,1,0,0,0,0|1,0,0]=3 1078 B5R0.5 CC(=C)C(=O)[O-] TS78671 [1,1,0,0,0,0|1,0,0]=3 1079 B5R0.5 CC(=C)[N+](=O)[O-] TS03555 [1,1,0,0,0,0|2,0,0]=4 1080 B5R0.5 CC(=O)C(=O)C TS03530 [1,1,0,0,0,0|0,0,1]=3 1081 B5R0.5 CC(=O)C(=O)O TS71795 [1,1,0,0,0,0|1,0,0]=3 1082 B5R0.5 CC(=O)C(=O)[O-] TS04176 [1,1,0,0,0,0|1,0,0]=3 1083 B5R0.5 CC(=O)C(=O)[O-] TS36114 [1,1,0,0,0,0|1,0,0]=3 1084 B5R0.5 CC(=O)C(=O)[O-] TS44476 [1,1,0,0,0,0|1,0,0]=3 1085 B5R0.5 CC(=O)C(=O)[O-] TS71885 [1,1,0,0,0,0|1,0,0]=3 1086 B5R0.5 CC(=O)C(Cl)Cl TS36198 [1,1,0,0,0,0|1,0,1]=4 1087 B5R0.5 CC(=O)C(F)F TS03662 [1,1,0,0,0,0|1,0,1]=4 1088 B5R0.5 CC(=O)C(O)O TS46028 [1,1,0,0,0,0|1,0,1]=4 1089 B5R0.5 CC(=O)N(C)C TS03557 [1,1,0,0,0,0|1,0,1]=4 1090 B5R0.5 CC(C(=C)C)O TS71758 [1,1,0,0,0,0|1,0,0]=3 1091 B5R0.5 CC(C(=O)Br)Br TS93904 [1,1,0,0,0,0|1,0,0]=3 1092 B5R0.5 CC(C(=O)C)Br TS40972 [1,1,0,0,0,0|0,0,1]=3 1093 B5R0.5 CC(C(=O)C)Cl TS31738 [1,1,0,0,0,0|0,0,1]=3 1094 B5R0.5 CC(C(=O)C)F TS71828 [1,1,0,0,0,0|0,0,1]=3 1095 B5R0.5 CC(C(=O)C)O TS03581 [1,1,0,0,0,0|0,0,1]=3 1096 B5R0.5 CC(C(=O)C)S TS60015 [1,1,0,0,0,0|0,0,1]=3 1097 B5R0.5 CC(C(=O)Cl)Br TS45375 [1,1,0,0,0,0|1,0,0]=3 1098 B5R0.5 CC(C(=O)Cl)Cl TS36199 [1,1,0,0,0,0|1,0,0]=3 1099 B5R0.5 CC(C(=O)N)Br TS10108 [1,1,0,0,0,0|1,0,0]=3 1100 B5R0.5 CC(C(=O)N)Cl TS04116 [1,1,0,0,0,0|1,0,0]=3 1101 B5R0.5 CC(C(=O)N)O TS71825 [1,1,0,0,0,0|1,0,0]=3 1102 B5R0.5 CC(C(=O)O)Br TS10263 [1,1,0,0,0,0|1,0,0]=3 1103 B5R0.5 CC(C(=O)O)Br TS41327 [1,1,0,0,0,0|1,0,0]=3 1104 B5R0.5 CC(C(=O)O)Cl TS04158 [1,1,0,0,0,0|1,0,0]=3 1105 B5R0.5 CC(C(=O)O)F TS02005 [1,1,0,0,0,0|1,0,0]=3 1106 B5R0.5 CC(C(=O)O)N TS71826 [1,1,0,0,0,0|1,0,0]=3 1107 B5R0.5 CC(C(=O)O)O TS03619 [1,1,0,0,0,0|1,0,0]=3 1108 B5R0.5 CC(C(=O)O)O TS69796 [1,1,0,0,0,0|1,0,0]=3 1109 B5R0.5 CC(C(=O)O)S TS04090 [1,1,0,0,0,0|1,0,0]=3 1110 B5R0.5 CC(C(=O)[O-])O TS04267 [1,1,0,0,0,0|1,0,0]=3 1111 B5R0.5 CC(C(=O)[O-])O TS21805 [1,1,0,0,0,0|1,0,0]=3 1112 B5R0.5 CC(C(=O)[O-])O TS25875 [1,1,0,0,0,0|1,0,0]=3 1113 B5R0.5 CC(C(=O)[O-])O TS49421 [1,1,0,0,0,0|1,0,0]=3 1114 B5R0.5 CC(C(=O)[O-])O TS53785 [1,1,0,0,0,0|1,0,0]=3 1115 B5R0.5 CC(C(=O)[O-])O TS60724 [1,1,0,0,0,0|1,0,0]=3 1116 B5R0.5 CC(C(=O)[O-])O TS67922 [1,1,0,0,0,0|1,0,0]=3 1117 B5R0.5 CC(C(=O)[O-])O TS82339 [1,1,0,0,0,0|1,0,0]=3 1118 B5R0.5 CC(C(=O)[O-])O TS93633 [1,1,0,0,0,0|1,0,0]=3 1119 B5R0.5 CC(C(=O)[O-])O TS94684 [1,1,0,0,0,0|1,0,0]=3 1120 B5R0.5 CC(C(=O)[O-])O TS94690 [1,1,0,0,0,0|1,0,0]=3 1121 B5R0.5 CC(C)C(=C)C TS71720 [1,1,0,0,0,0|1,0,0]=3 1122 B5R0.5 CC(C)C(=N)N TS03540 [1,1,0,0,0,0|2,0,0]=4 1123 B5R0.5 CC(C)C(=N)N TS32540 [1,1,0,0,0,0|2,0,0]=4 1124 B5R0.5 CC(C)C(=O)Br TS40967 [1,1,0,0,0,0|1,0,0]=3 1125 B5R0.5 CC(C)C(=O)C TS39716 [1,1,0,0,0,0|0,0,1]=3 1126 B5R0.5 CC(C)C(=O)Cl TS31739 [1,1,0,0,0,0|1,0,0]=3 1127 B5R0.5 CC(C)C(=O)F TS71829 [1,1,0,0,0,0|1,0,0]=3 1128 B5R0.5 CC(C)C(=O)N TS01506 [1,1,0,0,0,0|1,0,0]=3 1129 B5R0.5 CC(C)C(=O)O TS85221 [1,1,0,0,0,0|1,0,0]=3 1130 B5R0.5 CC(C)C(=O)[O-] TS03660 [1,1,0,0,0,0|1,0,0]=3 1131 B5R0.5 CC(C)C(=O)[O-] TS04185 [1,1,0,0,0,0|1,0,0]=3 1132 B5R0.5 CC(C)C(=O)[O-] TS36146 [1,1,0,0,0,0|1,0,0]=3 1133 B5R0.5 CC(C)C(=O)[O-] TS44540 [1,1,0,0,0,0|1,0,0]=3 1134 B5R0.5 CC(C)[N+](=O)[O-] TS00110 [1,1,0,0,0,0|2,0,0]=4 1135 B5R0.5 CN(C)C(=O)Cl TS04117 [1,1,0,0,0,0|2,0,0]=4 1136 B5R0.5 CN(C)C(=O)N TS03592 [1,1,0,0,0,0|2,0,0]=4 1137 B5R0.5 CN(C)C(=O)O TS05907 [1,1,0,0,0,0|2,0,0]=4 1138 B5R0.5 C[C@@H](C(=O)N)N TS01517 [1,1,0,0,0,0|1,0,0]=3 1139 B5R0.5 C[C@@H](C(=O)N)N TS03590 [1,1,0,0,0,0|1,0,0]=3 1140 B5R0.5 C[C@@H](C(=O)N)O TS59860 [1,1,0,0,0,0|1,0,0]=3 1141 B5R0.5 C[C@@H](C(=O)O)Br TS10265 [1,1,0,0,0,0|1,0,0]=3 1142 B5R0.5 C[C@@H](C(=O)O)Cl TS47157 [1,1,0,0,0,0|1,0,0]=3 1143 B5R0.5 C[C@@H](C(=O)O)N TS01516 [1,1,0,0,0,0|1,0,0]=3 1144 B5R0.5 C[C@@H](C(=O)O)N TS03624 [1,1,0,0,0,0|1,0,0]=3 1145 B5R0.5 C[C@@H](C(=O)O)O TS39672 [1,1,0,0,0,0|1,0,0]=3 1146 B5R0.5 C[C@@H](C(=O)[O-])O TS04266 [1,1,0,0,0,0|1,0,0]=3 1147 B5R0.5 C[C@@H](C(=O)[O-])O TS05332 [1,1,0,0,0,0|1,0,0]=3 1148 B5R0.5 C[C@@H](C(=O)[O-])O TS28972 [1,1,0,0,0,0|1,0,0]=3 1149 B5R0.5 C[C@H](C(=O)Cl)Cl TS94778 [1,1,0,0,0,0|1,0,0]=3 1150 B5R0.5 C[C@H](C(=O)N)N TS46606 [1,1,0,0,0,0|1,0,0]=3 1151 B5R0.5 C[C@H](C(=O)N)N TS60179 [1,1,0,0,0,0|1,0,0]=3 1152 B5R0.5 C[C@H](C(=O)N)O TS71820 [1,1,0,0,0,0|1,0,0]=3 1153 B5R0.5 C[C@H](C(=O)O)Br TS10264 [1,1,0,0,0,0|1,0,0]=3 1154 B5R0.5 C[C@H](C(=O)O)O TS03621 [1,1,0,0,0,0|1,0,0]=3 1155 B5R0.5 C[C@H](C(=O)[O-])O TS03708 [1,1,0,0,0,0|1,0,0]=3 1156 B5R0.2 C#CC=CCO TS03460 [1,1,0,0,0,0|1,0,1]=4 1157 B5R0.2 C(C=CCBr)Br TS39560 [1,1,0,0,0,0|1,0,1]=4 1158 B5R0.2 C(C=CCCl)Cl TS00388 [1,1,0,0,0,0|1,0,1]=4 1159 B5R0.2 C(C=CCCl)Cl TS55820 [1,1,0,0,0,0|1,0,1]=4 1160 B5R0.2 C(C=CCCl)N TS06635 [1,1,0,0,0,0|1,0,1]=4 1161 B5R0.2 C(C=CCCl)O TS31740 [1,1,0,0,0,0|1,0,1]=4 1162 B5R0.2 C(C=CCO)O TS33234 [1,1,0,0,0,0|1,0,1]=4 1163 B5R0.2 C(C=CCl)ON TS94269 [1,1,0,0,0,0|2,0,0]=4 1164 B5R0.2 C=CC=CC=C TS71670 [1,1,0,0,0,0|0,0,2]=4 1165 B5R0.2 C=CCCC#N TS03446 [1,1,0,0,0,0|0,0,2]=4 1166 B5R0.2 C=CCCC=C TS39876 [1,1,0,0,0,0|0,0,2]=4 1167 B5R0.2 C=CCCC=O TS03486 [1,1,0,0,0,0|0,0,2]=4 1168 B5R0.2 C=CCCCBr TS71399 [1,1,0,0,0,0|0,0,1]=3 1169 B5R0.2 C=CCCCCl TS04057 [1,1,0,0,0,0|0,0,1]=3 1170 B5R0.2 C=CCCCN TS03513 [1,1,0,0,0,0|0,0,1]=3 1171 B5R0.2 C=CCCCN TS04880 [1,1,0,0,0,0|0,0,1]=3 1172 B5R0.2 C=CCCCO TS33172 [1,1,0,0,0,0|0,0,1]=3 1173 B5R0.2 C=CCCC[Zn+] TS44589 [1,1,0,0,0,0|0,0,1]=3 1174 B5R0.2 C=CCC[Mg]Br TS42097 [1,1,0,0,0,0|1,0,1]=4 1175 B5R0.2 C=CCOC=C TS03491 [1,1,0,0,0,0|1,0,1]=4 1176 B5R0.2 C=COCCO TS03575 [1,1,0,0,0,0|1,0,0]=3 1177 B5R0.2 CC#CCC=C TS71671 [1,1,0,0,0,0|0,0,2]=4 1178 B5R0.2 CC=CC=CC TS71681 [1,1,0,0,0,0|0,0,1]=3 1179 B5R0.2 CC=CC=CC TS71684 [1,1,0,0,0,0|0,0,1]=3 1180 B5R0.2 CC=CCCO TS71749 [1,1,0,0,0,0|0,0,1]=3 1181 B5R0.2 CC=CC[Mg]Cl TS32134 [1,1,0,0,0,0|1,0,1]=4 1182 B5R0.2 CCC#CC=C TS71669 [1,1,0,0,0,0|0,0,1]=3 1183 B5R0.2 CCC=CC=C TS03467 [1,1,0,0,0,0|0,0,0]=2 1184 B5R0.2 CCC=CC=O TS03498 [1,1,0,0,0,0|0,0,0]=2 1185 B5R0.2 CCCC=NO TS03560 [1,1,0,0,0,0|1,0,1]=4 1186 B5R0.2 CCCCC=C TS71713 [1,1,0,0,0,0|0,0,1]=3 1187 B5R0.2 CCCCC=O TS71764 [1,1,0,0,0,0|0,0,2]=4 1188 B5R0.2 CCCOC=C TS29507 [1,1,0,0,0,0|0,0,1]=3 1189 B5R0.2 CCCOC=O TS03584 [1,1,0,0,0,0|1,0,1]=4 1190 B5R0.2 CCOC=CBr TS40963 [1,1,0,0,0,0|1,0,0]=3 1191 B5R0.2 CCOC=CC TS71751 [1,1,0,0,0,0|0,0,1]=3 1192 B5R0.2 CCOCC=C TS71744 [1,1,0,0,0,0|0,0,1]=3 1193 B5R0.2 CCSCC=C TS03981 [1,1,0,0,0,0|0,0,1]=3 1194 B5R0.2 COC=CC#N TS71699 [1,1,0,0,0,0|1,0,1]=4 1195 B5R0.2 COC=CC=O TS71739 [1,1,0,0,0,0|1,0,0]=3 1196 B5R0.2 CSSCC=C TS32437 [1,1,0,0,0,0|1,0,1]=4 1197 B7R0.2 CC(=CC(=O)C)NC TS04388 [0,2,0,0,0,0|2,0,0]=4 1198 B7R0.2 CC(=CC(=O)OC)C TS08562 [0,2,0,0,0,0|1,0,0]=3 1199 B7R0.2 CC(=CC(=O)OC)N TS08575 [0,2,0,0,0,0|1,0,0]=3 1200 B7R0.2 CC(=O)CC(=O)NC TS04520 [0,2,0,0,0,0|1,0,1]=4 1201 B7R0.2 CC(=O)CC(=O)OC TS32187 [0,2,0,0,0,0|1,0,1]=4 1202 B7R0.2 CC(=O)NC(=O)CN TS32199 [0,2,0,0,0,0|1,0,1]=4 1203 B7R0.2 CC(=O)NC(=O)NC TS32196 [0,2,0,0,0,0|1,0,1]=4 1204 B7R0.2 CC(C)CC(=O)OC TS04588 [0,2,0,0,0,0|1,0,1]=4 1205 B7R0.2 CC(C)CC(=O)SC TS05775 [0,2,0,0,0,0|1,0,1]=4 1206 B7R0.2 CC(C)CC(C)C=C TS04359 [0,2,0,0,0,0|1,0,1]=4 1207 B7R0.2 CC(C)NC(=O)C=C TS32016 [0,2,0,0,0,0|0,0,0]=2 1208 B7R0.2 CC(C)NC(=O)CCl TS06023 [0,2,0,0,0,0|1,0,1]=4 1209 B7R0.2 CC(C)OC(=O)C=C TS32061 [0,2,0,0,0,0|0,0,0]=2 1210 B7R0.2 CC(C)OC(=O)CCl TS37073 [0,2,0,0,0,0|1,0,1]=4 1211 B7R0.2 CC(C)OC(=O)CN TS41311 [0,2,0,0,0,0|1,0,1]=4 1212 B7R0.2 CC(C)OC(=O)CO TS32323 [0,2,0,0,0,0|1,0,1]=4 1213 B7R0.2 CC(C)OC(=O)CS TS05924 [0,2,0,0,0,0|1,0,1]=4 1214 B7R0.2 CC(CC(=O)OC)Br TS65942 [0,2,0,0,0,0|1,0,1]=4 1215 B7R0.2 CCC(=O)CC(=O)C TS00653 [0,2,0,0,0,0|0,0,1]=3 1216 B7R0.2 CCC(=O)CC(C)C TS32113 [0,2,0,0,0,0|0,0,2]=4 1217 B7R0.2 CCC(C)CC(=C)C TS04345 [0,2,0,0,0,0|1,0,1]=4 1218 B7R0.2 CCC(CC(=C)C)O TS32110 [0,2,0,0,0,0|0,0,2]=4 1219 B7R0.2 CN(C)CC(=O)NN TS04683 [0,2,0,0,0,0|2,0,0]=4 1220 B7R0.2 CN(C)CC(=O)OC TS04665 [0,2,0,0,0,0|1,0,1]=4 1221 B7R0.2 CNC(=O)CC(=S)N TS05754 [0,2,0,0,0,0|1,0,1]=4 1222 B7R0.2 COC(=O)CC(=O)[O-] TS04695 [0,2,0,0,0,0|1,0,1]=4 1223 B7R0.2 COC(=O)NC(=O)N TS04702 [0,2,0,0,0,0|2,0,0]=4 1224 B7R0.2 C[C@@H](CC(=O)OC)O TS77156 [0,2,0,0,0,0|1,0,1]=4 1225 B7R0.2 C[C@H](CC(=O)OC)O TS01535 [0,2,0,0,0,0|1,0,1]=4 1226 B7R0.3 C(C=CC(=O)CCl)N TS64929 [0,2,0,0,0,0|1,0,0]=3 1227 B7R0.3 C(CC(=O)NN)CO TS32340 [0,2,0,0,0,0|2,0,0]=4 1228 B7R0.3 C=CC(=O)NCCN TS94605 [0,2,0,0,0,0|0,0,0]=2 1229 B7R0.3 C=CC(=O)OCC#C TS04190 [0,2,0,0,0,0|0,0,1]=3 1230 B7R0.3 C=CC(=O)OCCBr TS47659 [0,2,0,0,0,0|0,0,0]=2 1231 B7R0.3 C=CC(=O)OCCCl TS05938 [0,2,0,0,0,0|0,0,0]=2 1232 B7R0.3 C=CC(=O)OCCO TS56178 [0,2,0,0,0,0|0,0,0]=2 1233 B7R0.3 C=CCNC(=O)C=C TS31871 [0,2,0,0,0,0|0,0,1]=3 1234 B7R0.3 C=CCOC(=O)C=C TS31905 [0,2,0,0,0,0|0,0,1]=3 1235 B7R0.3 C=CCOC(=O)CCl TS05941 [0,2,0,0,0,0|1,0,0]=3 1236 B7R0.3 CC=CCC(C)C=C TS31844 [0,2,0,0,0,0|1,0,1]=4 1237 B7R0.3 CCC#CC(=O)OC TS31922 [0,2,0,0,0,0|1,0,1]=4 1238 B7R0.3 CCC(=CCC=C)C TS04221 [0,2,0,0,0,0|1,0,0]=3 1239 B7R0.3 CCC(=O)NCCO TS32284 [0,2,0,0,0,0|0,0,2]=4 1240 B7R0.3 CCC(=O)OCC#C TS31921 [0,2,0,0,0,0|0,0,2]=4 1241 B7R0.3 CCC(=O)OCC=C TS04450 [0,2,0,0,0,0|0,0,0]=2 1242 B7R0.3 CCC(=S)OCC=C TS05577 [0,2,0,0,0,0|0,1,0]=3 1243 B7R0.3 CCC(C)CC=CC TS31972 [0,2,0,0,0,0|1,0,1]=4 1244 B7R0.3 CCC(C)SCC=C TS05618 [0,2,0,0,0,0|1,0,1]=4 1245 B7R0.3 CCC(C=CC=O)O TS04431 [0,2,0,0,0,0|0,0,2]=4 1246 B7R0.3 CCC(CCC=C)O TS32091 [0,2,0,0,0,0|0,0,2]=4 1247 B7R0.3 CCC=CC(=O)OC TS56262 [0,2,0,0,0,0|1,0,0]=3 1248 B7R0.3 CCC=CC(C)CC TS31968 [0,2,0,0,0,0|1,0,1]=4 1249 B7R0.3 CCCCC(=CC)C TS04336 [0,2,0,0,0,0|1,0,1]=4 1250 B7R0.3 CCCCC(=O)CC TS04462 [0,2,0,0,0,0|0,0,2]=4 1251 B7R0.3 CCCCC(=O)NC TS32169 [0,2,0,0,0,0|1,0,1]=4 1252 B7R0.3 CCCCC(=O)NN TS04606 [0,2,0,0,0,0|2,0,0]=4 1253 B7R0.3 CCCCC(=O)OC TS32226 [0,2,0,0,0,0|1,0,1]=4 1254 B7R0.3 CCCCC(C=C)O TS04474 [0,2,0,0,0,0|0,0,2]=4 1255 B7R0.3 CCCOC(=O)C=C TS04429 [0,2,0,0,0,0|0,0,0]=2 1256 B7R0.3 CCCOC(=O)CCl TS06137 [0,2,0,0,0,0|1,0,1]=4 1257 B7R0.3 CCCOC(=O)CN TS41315 [0,2,0,0,0,0|1,0,1]=4 1258 B7R0.3 CCCOC(=O)OC TS32321 [0,2,0,0,0,0|1,0,1]=4 1259 B7R0.3 CCCSC(=O)CC TS05773 [0,2,0,0,0,0|0,0,2]=4 1260 B7R0.3 CCOC=C(C)C=O TS04427 [0,2,0,0,0,0|2,0,0]=4 1261 B7R0.3 COC(=O)C=CC=C TS31908 [0,2,0,0,0,0|1,0,0]=3 1262 B7R0.3 COC(=O)C=CC=O TS04424 [0,2,0,0,0,0|1,0,0]=3 1263 B7R0.3 COC(=O)C=CCBr TS47660 [0,2,0,0,0,0|1,0,0]=3 1264 B7R0.3 COC(=O)C=CCBr TS93086 [0,2,0,0,0,0|1,0,0]=3 1265 B7R0.3 COC(=O)CCC#N TS02730 [0,2,0,0,0,0|1,0,1]=4 1266 B7R0.3 COC(=O)CCC=O TS02246 [0,2,0,0,0,0|1,0,1]=4 1267 B7R0.3 COC(=O)CCCBr TS09599 [0,2,0,0,0,0|1,0,1]=4 1268 B7R0.3 COC(=O)CCCCl TS06131 [0,2,0,0,0,0|1,0,1]=4 1269 B7R0.3 COC(=O)CCCI TS52575 [0,2,0,0,0,0|1,0,1]=4 1270 B7R0.3 COC(=O)CCCN TS41316 [0,2,0,0,0,0|1,0,1]=4 1271 B7R0.3 COC(=O)CCSC TS05919 [0,2,0,0,0,0|1,0,1]=4 1272 B7R0.3 COC(=O)CNC=O TS32271 [0,2,0,0,0,0|1,0,1]=4 1273 B7R0.3 COC(=O)OCC=C TS94827 [0,2,0,0,0,0|1,0,0]=3 1274 B7R0.3 COC=CC(=O)OC TS32188 [0,2,0,0,0,0|1,0,0]=3 1275 B7R0.3 COCCC(=O)NN TS32330 [0,2,0,0,0,0|2,0,0]=4 1276 B7R0.3 COCCC(=O)OC TS32322 [0,2,0,0,0,0|1,0,1]=4 1277 B7R0.5 C(CBr)C(=C(F)F)F TS16108 [0,2,0,0,0,0|2,0,0]=4 1278 B7R0.5 CC(=C)C(=O)NCO TS04529 [0,2,0,0,0,0|1,0,0]=3 1279 B7R0.5 CC(=C)C(=O)OC=C TS31917 [0,2,0,0,0,0|0,0,1]=3 1280 B7R0.5 CC(C)C(=O)CC#N TS60063 [0,2,0,0,0,0|0,0,2]=4 1281 B7R0.5 CC(C)C(C)CC=C TS04343 [0,2,0,0,0,0|1,0,1]=4 1282 B7R0.5 CC(C)C(CC=C)O TS32108 [0,2,0,0,0,0|0,0,2]=4 1283 B7R0.5 CC=CC(C(C)C)O TS04483 [0,2,0,0,0,0|0,0,2]=4 1284 B7R0.5 CCC=C(C)C(=O)O TS04448 [0,2,0,0,0,0|2,0,0]=4 1285 B7R0.5 CCC=C(C)C(C)C TS31953 [0,2,0,0,0,0|1,0,1]=4 1286 B7R0.5 CCC=C(C)C(C)O TS04482 [0,2,0,0,0,0|1,0,1]=4 1287 B7R0.5 CCCC(=C(C)C)C TS04362 [0,2,0,0,0,0|1,0,1]=4 1288 B7R0.5 CCCC(=O)C(=O)C TS32062 [0,2,0,0,0,0|0,0,1]=3 1289 B7R0.5 CCCC(=O)C(=O)O TS32183 [0,2,0,0,0,0|1,0,0]=3 1290 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [0,2,0,0,0,0|1,0,0]=3 1291 B7R0.5 CCCC(=O)C(C)C TS32114 [0,2,0,0,0,0|0,0,2]=4 1292 B7R0.5 CCCC(=O)N(C)C TS32149 [0,2,0,0,0,0|1,0,1]=4 1293 B7R0.5 CCCC(C)C(=C)C TS31970 [0,2,0,0,0,0|1,0,1]=4 1294 B7R0.5 CCNC(=O)C(=C)C TS04389 [0,2,0,0,0,0|0,0,0]=2 1295 B7R0.5 CCOC(=C(F)F)F TS05121 [0,2,0,0,0,0|2,0,0]=4 1296 B7R0.5 CCOC(=O)C(=C)Br TS47658 [0,2,0,0,0,0|0,0,0]=2 1297 B7R0.5 CCOC(=O)C(=C)C TS00098 [0,2,0,0,0,0|0,0,0]=2 1298 B7R0.5 CCOC(=O)C(=O)C TS01478 [0,2,0,0,0,0|0,0,1]=3 1299 B7R0.5 CCOC(=O)C(=O)Cl TS01473 [0,2,0,0,0,0|1,0,0]=3 1300 B7R0.5 CCOC(=O)C(=O)N TS32272 [0,2,0,0,0,0|1,0,0]=3 1301 B7R0.5 CCOC(=O)C(Br)Br TS27397 [0,2,0,0,0,0|1,0,1]=4 1302 B7R0.5 CCOC(=O)C(C)Br TS55906 [0,2,0,0,0,0|0,0,2]=4 1303 B7R0.5 CCOC(=O)C(C)C TS32217 [0,2,0,0,0,0|0,0,2]=4 1304 B7R0.5 CCOC(=O)C(C)Cl TS55916 [0,2,0,0,0,0|0,0,2]=4 1305 B7R0.5 CCOC(=O)C(C)F TS32420 [0,2,0,0,0,0|0,0,2]=4 1306 B7R0.5 CCOC(=O)C(C)N TS55877 [0,2,0,0,0,0|0,0,2]=4 1307 B7R0.5 CCOC(=O)C(C)O TS04714 [0,2,0,0,0,0|0,0,2]=4 1308 B7R0.5 CCOC(=O)C(C)S TS05920 [0,2,0,0,0,0|0,0,2]=4 1309 B7R0.5 CCOC(=O)C(Cl)Cl TS10814 [0,2,0,0,0,0|1,0,1]=4 1310 B7R0.5 CCOC(=O)C(F)Br TS15410 [0,2,0,0,0,0|1,0,1]=4 1311 B7R0.5 CCOC(=O)C(F)Cl TS37443 [0,2,0,0,0,0|1,0,1]=4 1312 B7R0.5 CCOC(=O)C(F)F TS39847 [0,2,0,0,0,0|1,0,1]=4 1313 B7R0.5 CCOC(=O)C(F)I TS53245 [0,2,0,0,0,0|1,0,1]=4 1314 B7R0.5 CCOC(=O)N(Cl)Cl TS10930 [0,2,0,0,0,0|2,0,0]=4 1315 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [0,2,0,0,0,0|0,0,2]=4 1316 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [0,2,0,0,0,0|0,0,2]=4 1317 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [0,2,0,0,0,0|0,0,2]=4 1318 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [0,2,0,0,0,0|0,0,2]=4 1319 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [0,2,0,0,0,0|0,0,2]=4 1320 B7R0.5 CCOC(=S)C(=O)N TS01481 [0,2,0,0,0,0|1,1,0]=4 1321 B7R0.7 C(CCl)C(=O)CCCl TS46816 [0,2,0,0,0,0|0,0,2]=4 1322 B7R0.7 C(CO)C(=O)CCO TS04717 [0,2,0,0,0,0|0,0,2]=4 1323 B7R0.7 CC=CC(=O)N=C=S TS05260 [0,2,0,0,0,0|1,0,1]=4 1324 B7R0.7 CC=CC(=O)OC=C TS31901 [0,2,0,0,0,0|0,0,1]=3 1325 B7R0.7 CCCC(=CCC)C TS31954 [0,2,0,0,0,0|1,0,1]=4 1326 B7R0.7 CCCC(=O)CCC TS32100 [0,2,0,0,0,0|0,0,2]=4 1327 B7R0.7 CCCC(=O)OC=C TS04453 [0,2,0,0,0,0|0,0,0]=2 1328 B7R0.7 CCCC(=O)OCC TS32219 [0,2,0,0,0,0|0,0,2]=4 1329 B7R0.7 CCCC(=O)OCCl TS55810 [0,2,0,0,0,0|1,0,1]=4 1330 B7R0.7 CCCC(C)CC=C TS31971 [0,2,0,0,0,0|1,0,1]=4 1331 B7R0.7 CCCC(C=CC)O TS04465 [0,2,0,0,0,0|0,0,2]=4 1332 B7R0.7 CCCC(CC=C)O TS04466 [0,2,0,0,0,0|0,0,2]=4 1333 B7R0.7 CCNC(=O)NCC TS04609 [0,2,0,0,0,0|0,0,2]=4 1334 B7R0.7 CCNC(=O)OCC TS04671 [0,2,0,0,0,0|0,0,2]=4 1335 B7R0.7 CCOC(=O)C#CC TS08727 [0,2,0,0,0,0|0,0,2]=4 1336 B7R0.7 CCOC(=O)C=CC TS04436 [0,2,0,0,0,0|0,0,0]=2 1337 B7R0.7 CCOC(=O)C=CI TS52258 [0,2,0,0,0,0|0,0,0]=2 1338 B7R0.7 CCOC(=O)C=[N+]=[N-] TS77133 [0,2,0,0,0,0|1,0,0]=3 1339 B7R0.7 CCOC(=O)CC#C TS31911 [0,2,0,0,0,0|0,0,2]=4 1340 B7R0.7 CCOC(=O)CC#N TS32007 [0,2,0,0,0,0|0,0,2]=4 1341 B7R0.7 CCOC(=O)CC=C TS04444 [0,2,0,0,0,0|0,0,0]=2 1342 B7R0.7 CCOC(=O)CCBr TS08511 [0,2,0,0,0,0|0,0,2]=4 1343 B7R0.7 CCOC(=O)CCCl TS66003 [0,2,0,0,0,0|0,0,2]=4 1344 B7R0.7 CCOC(=O)CCI TS56139 [0,2,0,0,0,0|0,0,2]=4 1345 B7R0.7 CCOC(=O)CCN TS01886 [0,2,0,0,0,0|0,0,2]=4 1346 B7R0.7 CCOC(=O)CCN TS04667 [0,2,0,0,0,0|0,0,2]=4 1347 B7R0.7 CCOC(=O)CCS TS05923 [0,2,0,0,0,0|0,0,2]=4 1348 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [0,2,0,0,0,0|0,0,2]=4 1349 B7R0.7 CCOC(=O)CNC TS01479 [0,2,0,0,0,0|0,0,2]=4 1350 B7R0.7 CCOC(=O)CNN TS56149 [0,2,0,0,0,0|1,0,1]=4 1351 B7R0.7 CCOC(=O)COC TS32327 [0,2,0,0,0,0|0,0,2]=4 1352 B7R0.7 CCOC(=O)CSC TS05917 [0,2,0,0,0,0|0,0,2]=4 1353 B7R0.7 CCOC(=O)C[N+]#[C-] TS01459 [0,2,0,0,0,0|0,0,2]=4 1354 B7R0.7 CCOC(=O)N=C=O TS08726 [0,2,0,0,0,0|1,0,1]=4 1355 B7R0.7 CCOC(=O)N=C=S TS08471 [0,2,0,0,0,0|1,0,1]=4 1356 B7R0.7 CCOC(=O)NOC TS32378 [0,2,0,0,0,0|1,0,1]=4 1357 B7R0.7 CCOC(=O)OCC TS32315 [0,2,0,0,0,0|0,0,2]=4 1358 B7R0.7 CCOC(=O)OCCl TS37245 [0,2,0,0,0,0|1,0,1]=4 1359 B7R0.7 CCSC(=O)SCC TS40933 [0,2,0,0,0,0|0,0,2]=4 1360 B7R0.10 C(C(=O)C(=O)CBr)Br TS27074 [0,2,0,0,0,0|1,0,1]=4 1361 B7R0.10 C(C(C(=O)NN)N)O TS10625 [0,2,0,0,0,0|2,0,0]=4 1362 B7R0.10 C([C@@H](C(=O)NO)N)Cl TS37249 [0,2,0,0,0,0|2,0,0]=4 1363 B7R0.10 CC(C(=O)OC)OC TS32317 [0,2,0,0,0,0|1,0,1]=4 1364 B7R0.10 CC(C(=O)OC)SC TS05922 [0,2,0,0,0,0|1,0,1]=4 1365 B7R0.10 CC=C(C(=O)OC)Br TS47656 [0,2,0,0,0,0|1,0,0]=3 1366 B7R0.10 CC=C(C)C(=O)OC TS32064 [0,2,0,0,0,0|1,0,0]=3 1367 B7R0.10 CC=C(C)C(=O)OC TS32066 [0,2,0,0,0,0|1,0,0]=3 1368 B7R0.10 CCC(=C(C)CC)C TS04354 [0,2,0,0,0,0|1,0,1]=4 1369 B7R0.10 CCC(=C(C)CC)C TS31959 [0,2,0,0,0,0|1,0,1]=4 1370 B7R0.10 CCC(C(=O)CC)O TS32221 [0,2,0,0,0,0|0,0,2]=4 1371 B7R0.10 CCC(C(=O)OC)Br TS65236 [0,2,0,0,0,0|1,0,1]=4 1372 B7R0.10 CCC(C(=O)OC)Cl TS06135 [0,2,0,0,0,0|1,0,1]=4 1373 B7R0.10 CCC(C(=O)OC)N TS41307 [0,2,0,0,0,0|1,0,1]=4 1374 B7R0.10 CCC(C)C(=C)CC TS04351 [0,2,0,0,0,0|1,0,1]=4 1375 B7R0.10 CCC(C)C(=CC)C TS04350 [0,2,0,0,0,0|1,0,1]=4 1376 B7R0.10 CCC(C)C(=O)CC TS04477 [0,2,0,0,0,0|0,0,2]=4 1377 B7R0.10 CCC(C)C(=O)OC TS04590 [0,2,0,0,0,0|1,0,1]=4 1378 B7R0.10 CCC(C)C(=O)SC TS05776 [0,2,0,0,0,0|1,0,1]=4 1379 B7R0.10 CCC(C)C(C)C=C TS04364 [0,2,0,0,0,0|1,0,1]=4 1380 B7R0.10 CNC(=O)C(=O)NC TS32195 [0,2,0,0,0,0|1,0,1]=4 1381 B7R0.10 COC(=O)C(=C)C#N TS04236 [0,2,0,0,0,0|1,0,0]=3 1382 B7R0.10 COC(=O)C(=C)CBr TS47657 [0,2,0,0,0,0|1,0,0]=3 1383 B7R0.10 COC(=O)C(=O)CBr TS14714 [0,2,0,0,0,0|1,0,1]=4 1384 B7R0.10 COC(=O)C(=O)OC TS39853 [0,2,0,0,0,0|1,0,1]=4 1385 B7R0.10 COC(=O)C(C=C)O TS32185 [0,2,0,0,0,0|1,0,0]=3 1386 B7R0.10 COC(=O)C(CBr)Br TS27392 [0,2,0,0,0,0|1,0,1]=4 1387 B7R0.10 COC(=O)C(CCl)Cl TS10813 [0,2,0,0,0,0|1,0,1]=4 1388 B7R0.10 COC(=O)C(CCl)N TS08717 [0,2,0,0,0,0|1,0,1]=4 1389 B7R0.10 COC(=O)C(CO)Cl TS37246 [0,2,0,0,0,0|1,0,1]=4 1390 B7R0.10 COC(=O)C(CO)N TS47365 [0,2,0,0,0,0|1,0,1]=4 1391 B7R0.10 COC(=O)[C@@H](CCl)N TS45716 [0,2,0,0,0,0|1,0,1]=4 1392 B7R0.10 COC(=O)[C@@H](CO)N TS55886 [0,2,0,0,0,0|1,0,1]=4 1393 B7R0.10 COC(=O)[C@H](CCl)N TS06211 [0,2,0,0,0,0|1,0,1]=4 1394 B7R0.10 COC(=O)[C@H](CO)N TS46686 [0,2,0,0,0,0|1,0,1]=4 1395 B7R0.10 COC(=O)[C@H](CS)N TS64915 [0,2,0,0,0,0|1,0,1]=4 1396 B7R0.10 COC(C(=O)OC)O TS01782 [0,2,0,0,0,0|1,0,1]=4 1397 B7R0.10 C[C@@H](C(=O)OC)NC TS41312 [0,2,0,0,0,0|1,0,1]=4 1398 B7R0.10 C[C@@H](CBr)C(=O)OC TS14724 [0,2,0,0,0,0|1,0,1]=4 1399 B7R0.10 C[C@@H](CO)C(=O)OC TS59397 [0,2,0,0,0,0|1,0,1]=4 1400 B7R0.10 C[C@H](CBr)C(=O)OC TS14720 [0,2,0,0,0,0|1,0,1]=4 1401 B7R0.10 C[C@H](CO)C(=O)OC TS32320 [0,2,0,0,0,0|1,0,1]=4 1402 B7R0.11 CCC(C)(C)CC=C TS02214 [0,2,0,0,0,0|1,0,1]=4 1403 B7R0.11 CCC(C)(CC=C)O TS04476 [0,2,0,0,0,0|0,0,2]=4 1404 B7R0.11 CCCC(C)(C)C=C TS04346 [0,2,0,0,0,0|1,0,1]=4 1405 B7R0.12 CCC=C(CC)CC TS04344 [0,2,0,0,0,0|1,0,1]=4 1406 B7R0.12 CCN(CC)CC=C TS32028 [0,2,0,0,0,0|2,0,0]=4 1407 B7R0.13 CN(C)S(=O)(=O)C=C TS05995 [0,2,0,0,0,0|2,0,0]=4 1408 B7R0.14 CC(C)(C(=O)NN)O TS32334 [0,2,0,0,0,0|2,0,0]=4 1409 B7R0.14 CC(C)(C(=O)OC)Br TS60142 [0,2,0,0,0,0|1,0,1]=4 1410 B7R0.14 CC(C)(C(=O)OC)F TS56254 [0,2,0,0,0,0|1,0,1]=4 1411 B7R0.14 CC(C)(C(=O)OC)N TS01337 [0,2,0,0,0,0|1,0,1]=4 1412 B7R0.14 CC(C)(C(=O)OC)O TS04713 [0,2,0,0,0,0|1,0,1]=4 1413 B7R0.14 CC(C)(C)C(=O)C#N TS31875 [0,2,0,0,0,0|1,0,1]=4 1414 B7R0.14 CC(C)(C)C(=O)CBr TS47672 [0,2,0,0,0,0|1,0,1]=4 1415 B7R0.14 CC(C)(C)C(=O)CCl TS00046 [0,2,0,0,0,0|1,0,1]=4 1416 B7R0.14 CC(C)(C)C(=O)NC TS32150 [0,2,0,0,0,0|1,0,1]=4 1417 B7R0.14 CC(C)(C)C(=O)OC TS32211 [0,2,0,0,0,0|1,0,1]=4 1418 B7R0.14 CC(C=C)C(C)(C)O TS04471 [0,2,0,0,0,0|1,0,1]=4 1419 B7R0.14 CC=C(C)C(C)(C)C TS31978 [0,2,0,0,0,0|1,0,1]=4 1420 B7R0.14 CCC(=O)C(C)(C)C TS04479 [0,2,0,0,0,0|0,0,2]=4 1421 B7R0.14 CCC(=O)C(F)(F)F TS05124 [0,2,0,0,0,0|1,0,1]=4 1422 B7R0.15 CCC(=C(C)C)CC TS31979 [0,2,0,0,0,0|1,0,1]=4 1423 B7R0.15 CCC(=CC)C(C)C TS31976 [0,2,0,0,0,0|1,0,1]=4 1424 B7R0.15 CCC(CC)C(=C)C TS31969 [0,2,0,0,0,0|1,0,1]=4 1425 B7R0.16 CC(=C)C(=O)N(C)C TS04392 [0,2,0,0,0,0|1,0,0]=3 1426 B7R0.16 CC(C(=O)C(C)Br)Br TS27079 [0,2,0,0,0,0|0,0,2]=4 1427 B7R0.16 CC(C(=O)N(C)C)Br TS14492 [0,2,0,0,0,0|1,0,1]=4 1428 B7R0.16 CC(C(=O)N(C)C)O TS32283 [0,2,0,0,0,0|1,0,1]=4 1429 B7R0.16 CC(C)C(=C(C)C)C TS31980 [0,2,0,0,0,0|1,0,1]=4 1430 B7R0.16 CC(C)C(=O)C(=O)[O-] TS30827 [0,2,0,0,0,0|1,0,0]=3 1431 B7R0.16 CC(C)C(=O)C(C)C TS04472 [0,2,0,0,0,0|0,0,2]=4 1432 B7R0.16 CC(C)C(C(=C)C)O TS32111 [0,2,0,0,0,0|0,0,2]=4 1433 B7R0.18 CCC(C)(CC)C=C TS31956 [0,2,0,0,0,0|1,0,1]=4 1434 B7R0.18 COP(=O)(C=C)OC TS06037 [0,2,0,0,0,0|2,0,0]=4 1435 B5R1.2 C1C(=O)CN1 TS03373 [1,0,0,1,0,0|1,0,1]=4 1436 B5R1.2 C1C(=O)CN1 TS46446 [1,0,0,1,0,0|1,0,1]=4 1437 B5R1.2 C1C(=O)CO1 TS70694 [1,0,0,1,0,0|1,0,1]=4 1438 B5R1.2 C1C(=O)CS1 TS90454 [1,0,0,1,0,0|1,0,1]=4 1439 B5R1.2 C1CC(=O)C1 TS01399 [1,0,0,1,0,0|0,0,1]=3 1440 B5R1.2 C1CNC1=O TS55052 [1,0,0,1,0,0|1,0,0]=3 1441 B5R1.2 C1COC1=O TS71591 [1,0,0,1,0,0|1,0,0]=3 1442 B5R1.3 C=CC1CC1 TS02996 [1,0,0,1,0,0|1,0,1]=4 1443 B5R1.1 C1C=CC=C1 TS02712 [1,0,0,1,0,0|0,0,1]=3 1444 B5R1.1 C1C=CCN1 TS03158 [1,0,0,1,0,0|1,0,1]=4 1445 B5R1.1 C1C=CCO1 TS47265 [1,0,0,1,0,0|1,0,1]=4 1446 B5R1.1 C1C=CC[SiH2]1 TS71724 [1,0,0,1,0,0|0,1,1]=4 1447 B5R1.1 C1CC=CC1 TS70869 [1,0,0,1,0,0|0,0,1]=3 1448 B5R1.1 C1CNN=C1 TS03359 [1,0,0,1,0,0|2,0,0]=4 1449 B5R1.1 C1COC=C1 TS07898 [1,0,0,1,0,0|1,0,0]=3 1450 B5R1.1 C1COC=N1 TS03370 [1,0,0,1,0,0|2,0,0]=4 1451 B5R1.1 [cH-]1cccc1 TS03571 [1,0,0,1,0,0|0,0,2]=4 1452 B5R1.1 [cH-]1cccc1 TS16106 [1,0,0,1,0,0|0,0,2]=4 1453 B5R1.1 [cH-]1cccc1 TS27849 [1,0,0,1,0,0|0,0,2]=4 1454 B5R1.1 [cH-]1cccc1 TS48823 [1,0,0,1,0,0|0,0,2]=4 1455 B5R1.1 [cH-]1cccc1 TS53175 [1,0,0,1,0,0|0,0,2]=4 1456 B5R1.1 [cH-]1cccc1 TS58447 [1,0,0,1,0,0|0,0,2]=4 1457 B5R1.1 c1c[nH]nc1 TS39604 [1,0,0,1,0,0|2,0,0]=4 1458 B5R1.1 c1cc[nH]c1 TS39606 [1,0,0,1,0,0|1,0,1]=4 1459 B5R1.1 c1ccoc1 TS70860 [1,0,0,1,0,0|1,0,1]=4 1460 B5R1.1 c1ccsc1 TS00282 [1,0,0,1,0,0|1,0,1]=4 1461 B5R1.1 c1cnoc1 TS56202 [1,0,0,1,0,0|2,0,0]=4 1462 B5R1.1 c1cnsc1 TS56199 [1,0,0,1,0,0|2,0,0]=4 1463 B7R1.1 C1C=C(CS1)C=O TS04454 [0,1,0,1,0,0|1,0,1]=4 1464 B7R1.1 C1CC=C(C1)C#N TS71878 [0,1,0,1,0,0|1,0,1]=4 1465 B7R1.1 C1CC=C(C1)CBr TS90531 [0,1,0,1,0,0|1,0,1]=4 1466 B7R1.1 C=CC1CCCC1 TS44110 [0,1,0,1,0,0|1,0,1]=4 1467 B7R1.1 C=CC1OCCO1 TS03848 [0,1,0,1,0,0|0,0,2]=4 1468 B7R1.1 CC=C1CCCC1 TS03729 [0,1,0,1,0,0|1,0,1]=4 1469 B7R1.1 CCC1=CCCC1 TS03731 [0,1,0,1,0,0|1,0,1]=4 1470 B7R1.1 CCC1CCC=C1 TS03720 [0,1,0,1,0,0|1,0,1]=4 1471 B7R1.1 CCc1[nH]ccn1 TS31379 [0,1,0,1,0,0|1,0,0]=3 1472 B7R1.1 CCc1cc[nH]c1 TS03698 [0,1,0,1,0,0|1,0,0]=3 1473 B7R1.1 CCc1ccc[nH]1 TS03700 [0,1,0,1,0,0|1,0,0]=3 1474 B7R1.1 CCc1ccco1 TS31365 [0,1,0,1,0,0|0,0,1]=3 1475 B7R1.1 CCc1cccs1 TS04335 [0,1,0,1,0,0|0,1,0]=3 1476 B7R1.1 CCc1ccsc1 TS04333 [0,1,0,1,0,0|0,1,0]=3 1477 B7R1.1 CCc1nccs1 TS32027 [0,1,0,1,0,0|0,1,0]=3 1478 B7R1.1 CCn1cccc1 TS03701 [0,1,0,1,0,0|2,0,0]=4 1479 B7R1.1 CCn1cccn1 TS77180 [0,1,0,1,0,0|2,0,0]=4 1480 B7R1.1 CCn1ccnc1 TS31376 [0,1,0,1,0,0|2,0,0]=4 1481 B7R1.1 CCn1cncn1 TS00433 [0,1,0,1,0,0|2,0,0]=4 1482 B7R1.1 CNc1ccn[nH]1 TS91536 [0,1,0,1,0,0|2,0,0]=4 1483 B7R1.1 CNc1cnco1 TS01626 [0,1,0,1,0,0|1,0,1]=4 1484 B7R1.1 CNc1cncs1 TS91086 [0,1,0,1,0,0|1,1,0]=4 1485 B7R1.1 CNc1cocn1 TS01625 [0,1,0,1,0,0|2,0,0]=4 1486 B7R1.1 CNc1cocn1 TS71270 [0,1,0,1,0,0|2,0,0]=4 1487 B7R1.1 CNc1ncco1 TS05943 [0,1,0,1,0,0|1,0,1]=4 1488 B7R1.1 COc1ccco1 TS03757 [0,1,0,1,0,0|1,0,1]=4 1489 B7R1.1 COc1cccs1 TS39279 [0,1,0,1,0,0|1,1,0]=4 1490 B7R1.1 COc1ccsc1 TS70649 [0,1,0,1,0,0|1,1,0]=4 1491 B7R1.1 CSc1c[nH]cn1 TS04457 [0,1,0,1,0,0|2,0,0]=4 1492 B7R1.1 CSc1cccs1 TS05614 [0,1,0,1,0,0|1,1,0]=4 1493 B7R1.1 CSc1ccsc1 TS05615 [0,1,0,1,0,0|1,1,0]=4 1494 B7R1.1 CSc1nccs1 TS36627 [0,1,0,1,0,0|1,1,0]=4 1495 B7R1.1 c1c([nH]cn1)CO TS89152 [0,1,0,1,0,0|2,0,0]=4 1496 B7R1.1 c1c(nc[nH]1)CCl TS10267 [0,1,0,1,0,0|2,0,0]=4 1497 B7R1.1 c1c(nc[nH]1)CO TS70769 [0,1,0,1,0,0|2,0,0]=4 1498 B7R1.1 c1c(nco1)CO TS90371 [0,1,0,1,0,0|2,0,0]=4 1499 B7R1.1 c1c(ncs1)CN TS09978 [0,1,0,1,0,0|2,0,0]=4 1500 B7R1.1 c1c(ncs1)CN TS88491 [0,1,0,1,0,0|2,0,0]=4 1501 B7R1.1 c1c(ncs1)CO TS04539 [0,1,0,1,0,0|2,0,0]=4 1502 B7R1.1 c1c(ocn1)CBr TS42378 [0,1,0,1,0,0|1,0,1]=4 1503 B7R1.1 c1c(ocn1)CCl TS32309 [0,1,0,1,0,0|1,0,1]=4 1504 B7R1.1 c1c(ocn1)CO TS91185 [0,1,0,1,0,0|1,0,1]=4 1505 B7R1.1 c1c(scn1)CO TS71321 [0,1,0,1,0,0|1,1,0]=4 1506 B7R1.1 c1c[nH]cc1C=O TS00457 [0,1,0,1,0,0|1,0,1]=4 1507 B7R1.1 c1c[nH]nc1C=O TS59363 [0,1,0,1,0,0|2,0,0]=4 1508 B7R1.1 c1c[nH]nc1CO TS88889 [0,1,0,1,0,0|2,0,0]=4 1509 B7R1.1 c1cc([nH]c1)C=O TS01672 [0,1,0,1,0,0|1,0,1]=4 1510 B7R1.1 c1cc([nH]c1)CN TS31377 [0,1,0,1,0,0|2,0,0]=4 1511 B7R1.1 c1cc(oc1)C=O TS03712 [0,1,0,1,0,0|1,0,1]=4 1512 B7R1.1 c1cc(oc1)CN TS03749 [0,1,0,1,0,0|1,0,1]=4 1513 B7R1.1 c1cc(oc1)CO TS03766 [0,1,0,1,0,0|1,0,1]=4 1514 B7R1.1 c1cc(oc1)CS TS32087 [0,1,0,1,0,0|1,0,1]=4 1515 B7R1.1 c1cc(sc1)C=O TS65660 [0,1,0,1,0,0|1,0,1]=4 1516 B7R1.1 c1cc(sc1)CCl TS01778 [0,1,0,1,0,0|1,1,0]=4 1517 B7R1.1 c1cc(sc1)CN TS65663 [0,1,0,1,0,0|1,1,0]=4 1518 B7R1.1 c1cc(sc1)CO TS32088 [0,1,0,1,0,0|1,1,0]=4 1519 B7R1.1 c1cc(sc1)CS TS05613 [0,1,0,1,0,0|1,1,0]=4 1520 B7R1.1 c1cn[nH]c1C=O TS85315 [0,1,0,1,0,0|2,0,0]=4 1521 B7R1.1 c1cnc([nH]1)CCl TS10266 [0,1,0,1,0,0|2,0,0]=4 1522 B7R1.1 c1cnc([nH]1)CN TS88455 [0,1,0,1,0,0|2,0,0]=4 1523 B7R1.1 c1cnc([nH]1)CO TS03774 [0,1,0,1,0,0|2,0,0]=4 1524 B7R1.1 c1cnc([nH]1)CO TS05944 [0,1,0,1,0,0|2,0,0]=4 1525 B7R1.1 c1cnoc1C=O TS03746 [0,1,0,1,0,0|2,0,0]=4 1526 B7R1.1 c1cnoc1CN TS01391 [0,1,0,1,0,0|1,0,1]=4 1527 B7R1.1 c1cnoc1CN TS56201 [0,1,0,1,0,0|1,0,1]=4 1528 B7R1.1 c1cnoc1CO TS31470 [0,1,0,1,0,0|1,0,1]=4 1529 B7R1.1 c1cnsc1C=O TS04385 [0,1,0,1,0,0|2,0,0]=4 1530 B7R1.1 c1coc(n1)CCl TS55279 [0,1,0,1,0,0|1,0,1]=4 1531 B7R1.1 c1coc(n1)CO TS89980 [0,1,0,1,0,0|1,0,1]=4 1532 B7R1.1 c1cocc1C=O TS02781 [0,1,0,1,0,0|1,0,1]=4 1533 B7R1.1 c1cocc1CN TS31397 [0,1,0,1,0,0|1,0,1]=4 1534 B7R1.1 c1cocc1CN TS36795 [0,1,0,1,0,0|1,0,1]=4 1535 B7R1.1 c1cocc1CO TS02782 [0,1,0,1,0,0|1,0,1]=4 1536 B7R1.1 c1conc1C=O TS56203 [0,1,0,1,0,0|2,0,0]=4 1537 B7R1.1 c1conc1CCl TS09441 [0,1,0,1,0,0|1,0,1]=4 1538 B7R1.1 c1conc1CN TS03776 [0,1,0,1,0,0|1,0,1]=4 1539 B7R1.1 c1conc1CO TS31471 [0,1,0,1,0,0|1,0,1]=4 1540 B7R1.1 c1csc(n1)CCl TS55280 [0,1,0,1,0,0|1,1,0]=4 1541 B7R1.1 c1csc(n1)CN TS04455 [0,1,0,1,0,0|1,1,0]=4 1542 B7R1.1 c1csc(n1)CN TS09110 [0,1,0,1,0,0|1,1,0]=4 1543 B7R1.1 c1csc(n1)CO TS01720 [0,1,0,1,0,0|1,1,0]=4 1544 B7R1.1 c1cscc1C=O TS70719 [0,1,0,1,0,0|1,0,1]=4 1545 B7R1.1 c1cscc1CBr TS65954 [0,1,0,1,0,0|1,1,0]=4 1546 B7R1.1 c1cscc1CCl TS36736 [0,1,0,1,0,0|1,1,0]=4 1547 B7R1.1 c1cscc1CN TS86063 [0,1,0,1,0,0|1,1,0]=4 1548 B7R1.1 c1cscc1CO TS70716 [0,1,0,1,0,0|1,1,0]=4 1549 B7R1.1 c1csnc1CN TS88909 [0,1,0,1,0,0|1,1,0]=4 1550 B7R1.2 C1=CC(=O)NC1=O TS56220 [0,1,0,1,0,0|1,0,1]=4 1551 B7R1.2 C1=CC(=O)OC1=O TS03751 [0,1,0,1,0,0|1,0,1]=4 1552 B7R1.2 C1C(=O)C=C(N1)O TS31463 [0,1,0,1,0,0|1,0,0]=3 1553 B7R1.2 C1C(=O)NC(=N1)N TS65022 [0,1,0,1,0,0|2,0,0]=4 1554 B7R1.2 C1C(=O)NC(=O)N1 TS39884 [0,1,0,1,0,0|2,0,0]=4 1555 B7R1.2 C1C(=O)NC(=O)N1 TS40408 [0,1,0,1,0,0|2,0,0]=4 1556 B7R1.2 C1C(=O)NC(=O)O1 TS31533 [0,1,0,1,0,0|2,0,0]=4 1557 B7R1.2 C1C(=O)NC(=O)S1 TS00655 [0,1,0,1,0,0|2,0,0]=4 1558 B7R1.2 C1C(=O)NC(=S)N1 TS04577 [0,1,0,1,0,0|2,0,0]=4 1559 B7R1.2 C1C(=O)NC(=S)S1 TS36781 [0,1,0,1,0,0|2,0,0]=4 1560 B7R1.2 C1C(=O)OC(=O)N1 TS03898 [0,1,0,1,0,0|2,0,0]=4 1561 B7R1.2 C1C(CNC1=O)N TS87465 [0,1,0,1,0,0|1,0,1]=4 1562 B7R1.2 C1C(COC1=O)O TS31581 [0,1,0,1,0,0|1,0,1]=4 1563 B7R1.2 C1CC(=O)CC1=O TS46791 [0,1,0,1,0,0|0,0,1]=3 1564 B7R1.2 C1CC(=O)NC1=O TS31467 [0,1,0,1,0,0|1,0,0]=3 1565 B7R1.2 C1CC(=O)OC1=O TS31489 [0,1,0,1,0,0|1,0,0]=3 1566 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [0,1,0,1,0,0|1,0,1]=4 1567 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [0,1,0,1,0,0|1,0,1]=4 1568 B7R1.2 C1[C@@H](COC1=O)N TS37130 [0,1,0,1,0,0|1,0,1]=4 1569 B7R1.2 C1[C@@H](COC1=O)O TS33101 [0,1,0,1,0,0|1,0,1]=4 1570 B7R1.2 C1[C@H](C=CC1=O)O TS03770 [0,1,0,1,0,0|0,0,0]=2 1571 B7R1.2 C1[C@H](C=C[C@H]1O)O TS31496 [0,1,0,1,0,0|0,0,2]=4 1572 B7R1.2 C1[C@H](CNC1=O)O TS01973 [0,1,0,1,0,0|1,0,1]=4 1573 B7R1.2 C1[C@H](CNC1=O)S TS04686 [0,1,0,1,0,0|1,0,1]=4 1574 B7R1.2 C1[C@H](COC1=O)O TS46585 [0,1,0,1,0,0|1,0,1]=4 1575 B7R1.2 C=C1CCC(=O)O1 TS03758 [0,1,0,1,0,0|0,0,0]=2 1576 B7R1.2 CC1=CC(=O)CC1 TS60019 [0,1,0,1,0,0|0,0,0]=2 1577 B7R1.2 CC1=CC(=O)OC1 TS03763 [0,1,0,1,0,0|1,0,0]=3 1578 B7R1.2 CC1=CCC(=O)O1 TS03764 [0,1,0,1,0,0|0,0,2]=4 1579 B7R1.2 CC1=NNC(=O)C1 TS93059 [0,1,0,1,0,0|2,0,0]=4 1580 B7R1.2 CC1=NOC(=O)C1 TS15601 [0,1,0,1,0,0|2,0,0]=4 1581 B7R1.2 CC1COC(=O)O1 TS08062 [0,1,0,1,0,0|1,0,1]=4 1582 B7R1.2 CC1COC(=O)O1 TS93060 [0,1,0,1,0,0|1,0,1]=4 1583 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [0,1,0,1,0,0|0,0,2]=4 1584 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [0,1,0,1,0,0|1,0,1]=4 1585 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [0,1,0,1,0,0|1,0,1]=4 1586 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [0,1,0,1,0,0|1,0,1]=4 1587 B7R1.2 Cc1c[nH]c(=O)[nH]1 TS03772 [0,1,0,1,0,0|1,0,1]=4 1588 B7R1.2 Cc1ccc([nH]1)C TS59928 [0,1,0,1,0,0|1,0,1]=4 1589 B7R1.2 Cc1ccc(o1)C TS31370 [0,1,0,1,0,0|1,0,1]=4 1590 B7R1.2 Cc1ccc(s1)Br TS55129 [0,1,0,1,0,0|1,0,1]=4 1591 B7R1.2 Cc1ccc(s1)C TS04332 [0,1,0,1,0,0|1,0,1]=4 1592 B7R1.2 Cc1ccc(s1)Cl TS00916 [0,1,0,1,0,0|1,0,1]=4 1593 B7R1.2 Cc1ccc(s1)I TS23773 [0,1,0,1,0,0|1,0,1]=4 1594 B7R1.2 Cc1ccn(n1)C TS39993 [0,1,0,1,0,0|2,0,0]=4 1595 B7R1.2 Cn1ccc(n1)Br TS16852 [0,1,0,1,0,0|2,0,0]=4 1596 B7R1.2 Cn1ccc(n1)I TS89582 [0,1,0,1,0,0|2,0,0]=4 1597 B7R1.2 Cn1ccc(n1)N TS00475 [0,1,0,1,0,0|2,0,0]=4 1598 B7R1.2 Cn1ccc(n1)N TS72253 [0,1,0,1,0,0|2,0,0]=4 1599 B7R1.3 C1CC(=O)CNC1 TS02886 [0,1,0,1,0,0|0,0,2]=4 1600 B7R1.3 C1CC(=O)CNC1 TS59353 [0,1,0,1,0,0|0,0,2]=4 1601 B7R1.3 C1CC(=O)COC1 TS22954 [0,1,0,1,0,0|0,0,2]=4 1602 B7R1.3 C1CC(=O)COC1 TS89862 [0,1,0,1,0,0|0,0,2]=4 1603 B7R1.3 C1CC(=O)CSC1 TS90226 [0,1,0,1,0,0|0,0,2]=4 1604 B7R1.3 C1CC(CC=C1)Br TS11358 [0,1,0,1,0,0|1,0,1]=4 1605 B7R1.3 C1CC(CC=C1)Cl TS04655 [0,1,0,1,0,0|1,0,1]=4 1606 B7R1.3 C1CC(CC=C1)O TS31422 [0,1,0,1,0,0|0,0,2]=4 1607 B7R1.3 C1CC=CC(=O)C1 TS39840 [0,1,0,1,0,0|0,0,0]=2 1608 B7R1.3 C1CC=CC(C1)Br TS11359 [0,1,0,1,0,0|1,0,1]=4 1609 B7R1.3 C1CC=CC(C1)Cl TS04653 [0,1,0,1,0,0|1,0,1]=4 1610 B7R1.3 C1CC=CC(C1)O TS59964 [0,1,0,1,0,0|0,0,2]=4 1611 B7R1.3 C1CCC(=CC1)Cl TS04654 [0,1,0,1,0,0|1,0,1]=4 1612 B7R1.3 C1CCC(=O)CC1 TS31441 [0,1,0,1,0,0|0,0,2]=4 1613 B7R1.3 C1CCNC(=O)C1 TS01420 [0,1,0,1,0,0|0,0,2]=4 1614 B7R1.3 C1CCOC(=O)C1 TS01892 [0,1,0,1,0,0|0,0,2]=4 1615 B7R1.3 C1CNC(=O)CN1 TS59349 [0,1,0,1,0,0|1,0,1]=4 1616 B7R1.3 C1CNC(=O)NC1 TS59429 [0,1,0,1,0,0|1,0,1]=4 1617 B7R1.3 C1CNCCC1=O TS02248 [0,1,0,1,0,0|0,0,2]=4 1618 B7R1.3 C1CNCCC1=O TS71284 [0,1,0,1,0,0|0,0,2]=4 1619 B7R1.3 C1COC(=O)C=C1 TS03767 [0,1,0,1,0,0|0,0,0]=2 1620 B7R1.3 C1COC(=O)CO1 TS31576 [0,1,0,1,0,0|1,0,1]=4 1621 B7R1.3 C1COC(=O)OC1 TS31584 [0,1,0,1,0,0|1,0,1]=4 1622 B7R1.3 C1COCC(=O)N1 TS01573 [0,1,0,1,0,0|1,0,1]=4 1623 B7R1.3 C1COCCC1=O TS59431 [0,1,0,1,0,0|0,0,2]=4 1624 B7R1.3 C1CSCCC1=O TS59432 [0,1,0,1,0,0|0,0,2]=4 1625 B7R1.3 C1NC(=CC=N1)N TS31399 [0,1,0,1,0,0|2,0,0]=4 1626 B7R1.3 c1ccoc(=O)c1 TS03711 [0,1,0,1,0,0|0,0,2]=4 1627 B7R1.3 c1coccc1=O TS39928 [0,1,0,1,0,0|0,0,2]=4 1628 B7R1.4 C1C(C(=O)NO1)N TS03929 [0,1,0,1,0,0|2,0,0]=4 1629 B7R1.4 C1CC(=C(C1)Br)Br TS52252 [0,1,0,1,0,0|1,0,1]=4 1630 B7R1.4 C1CC(=O)C(=C1)Br TS11349 [0,1,0,1,0,0|0,0,0]=2 1631 B7R1.4 C1CC(C(=O)C1)Br TS55161 [0,1,0,1,0,0|0,0,2]=4 1632 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [0,1,0,1,0,0|0,0,2]=4 1633 B7R1.4 C1CNC(=O)C1N TS94857 [0,1,0,1,0,0|1,0,1]=4 1634 B7R1.4 C1CNC(=O)C1O TS02803 [0,1,0,1,0,0|1,0,1]=4 1635 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [0,1,0,1,0,0|1,0,1]=4 1636 B7R1.4 C1COC(=O)C1Br TS65029 [0,1,0,1,0,0|1,0,1]=4 1637 B7R1.4 C1COC(=O)C1O TS70622 [0,1,0,1,0,0|1,0,1]=4 1638 B7R1.4 C1COC(=O)N1N TS03931 [0,1,0,1,0,0|2,0,0]=4 1639 B7R1.4 C1COC(=O)N1N TS18967 [0,1,0,1,0,0|2,0,0]=4 1640 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [0,1,0,1,0,0|1,0,1]=4 1641 B7R1.4 C1COC(=O)[C@H]1N TS37131 [0,1,0,1,0,0|1,0,1]=4 1642 B7R1.4 C1CSC(=O)C1N TS41321 [0,1,0,1,0,0|1,0,1]=4 1643 B7R1.4 C1CSC(=O)[C@H]1N TS41320 [0,1,0,1,0,0|1,0,1]=4 1644 B7R1.4 C1[C@@H](C(=O)NO1)N TS31587 [0,1,0,1,0,0|2,0,0]=4 1645 B7R1.4 C1[C@H](C(=O)NO1)N TS01419 [0,1,0,1,0,0|2,0,0]=4 1646 B7R1.4 C=C1CCOC1=O TS46473 [0,1,0,1,0,0|0,0,0]=2 1647 B7R1.4 CC1=C(CCC1)C TS03727 [0,1,0,1,0,0|1,0,1]=4 1648 B7R1.4 CC1=C(CCO1)S TS04610 [0,1,0,1,0,0|0,1,1]=4 1649 B7R1.4 CC1=C(CCO1)S TS11013 [0,1,0,1,0,0|0,1,1]=4 1650 B7R1.4 CC1=CCCC1=O TS31367 [0,1,0,1,0,0|0,0,0]=2 1651 B7R1.4 CC1=CCOC1=O TS03756 [0,1,0,1,0,0|1,0,0]=3 1652 B7R1.4 CC1C(=O)CCO1 TS31501 [0,1,0,1,0,0|0,0,2]=4 1653 B7R1.4 CC1C(=O)CCS1 TS04612 [0,1,0,1,0,0|0,0,2]=4 1654 B7R1.4 CC1CCC=C1C TS31386 [0,1,0,1,0,0|1,0,1]=4 1655 B7R1.4 CC1CCNC1=O TS70662 [0,1,0,1,0,0|0,0,2]=4 1656 B7R1.4 CC1CCOC1=O TS59696 [0,1,0,1,0,0|0,0,2]=4 1657 B7R1.4 CN1CCCC1=O TS46986 [0,1,0,1,0,0|1,0,1]=4 1658 B7R1.4 Cc1c(cco1)S TS32089 [0,1,0,1,0,0|0,1,1]=4 1659 B7R1.4 Cc1c(cco1)S TS41631 [0,1,0,1,0,0|0,1,1]=4 1660 B7R1.4 Cc1c(ccs1)S TS59980 [0,1,0,1,0,0|0,1,1]=4 1661 B7R1.4 Cc1c[nH]cc1C TS89902 [0,1,0,1,0,0|1,0,1]=4 1662 B7R1.4 Cc1ccnn1C TS46819 [0,1,0,1,0,0|2,0,0]=4 1663 B7R1.4 Cc1ccoc1C TS31373 [0,1,0,1,0,0|1,0,1]=4 1664 B7R1.4 Cc1ccsc1Br TS08660 [0,1,0,1,0,0|1,0,1]=4 1665 B7R1.4 Cc1ccsc1C TS04331 [0,1,0,1,0,0|1,0,1]=4 1666 B7R1.4 Cc1ccsc1Cl TS36735 [0,1,0,1,0,0|1,0,1]=4 1667 B7R1.4 Cc1cscc1Br TS09459 [0,1,0,1,0,0|1,0,1]=4 1668 B7R1.4 Cc1cscc1C TS59997 [0,1,0,1,0,0|1,0,1]=4 1669 B7R1.4 Cc1nccn1C TS31380 [0,1,0,1,0,0|2,0,0]=4 1670 B7R1.4 Cn1c(=O)ccs1 TS41073 [0,1,0,1,0,0|1,0,0]=3 1671 B7R1.4 Cn1c(ccn1)N TS00488 [0,1,0,1,0,0|2,0,0]=4 1672 B7R1.4 Cn1ccnc1Br TS55074 [0,1,0,1,0,0|2,0,0]=4 1673 B7R1.4 Cn1ccnc1Cl TS04651 [0,1,0,1,0,0|2,0,0]=4 1674 B7R1.4 Cn1ccnc1I TS01066 [0,1,0,1,0,0|2,0,0]=4 1675 B7R1.4 Cn1ccnc1S TS60134 [0,1,0,1,0,0|1,1,0]=4 1676 B7R1.4 Cn1cncc1Br TS11350 [0,1,0,1,0,0|2,0,0]=4 1677 B7R1.4 Cn1cncc1Cl TS16793 [0,1,0,1,0,0|2,0,0]=4 1678 B7R1.4 Cn1cncc1Cl TS47792 [0,1,0,1,0,0|2,0,0]=4 1679 B7R1.4 Cn1cncc1I TS08882 [0,1,0,1,0,0|2,0,0]=4 1680 B7R1.8 C1CC(=O)C1CO TS92430 [0,1,0,1,0,0|0,0,2]=4 1681 B7R1.15 c1c(c(=O)c1=O)[O-] TS32404 [0,1,0,1,0,0|1,0,1]=4 1682 B7R1.21 CC=CC1(CC1)N TS31406 [0,1,0,1,0,0|1,0,1]=4 1683 B7R1.22 C1CC1C(=O)CBr TS55070 [0,1,0,1,0,0|1,0,1]=4 1684 B7R1.22 C1CC1C(=O)NN TS55829 [0,1,0,1,0,0|2,0,0]=4 1685 B7R1.22 COC(=O)C1CC1 TS77154 [0,1,0,1,0,0|1,0,1]=4 1686 B7R1.22 COC(=O)C1CN1 TS31541 [0,1,0,1,0,0|1,0,1]=4 1687 B7R1.22 COC(=O)[C@@H]1CN1 TS31535 [0,1,0,1,0,0|1,0,1]=4 1688 B7R1.22 COC(=O)[C@@H]1CO1 TS31582 [0,1,0,1,0,0|1,0,1]=4 1689 B7R1.22 COC(=O)[C@H]1CN1 TS31537 [0,1,0,1,0,0|1,0,1]=4 1690 B7R1.22 COC(=O)[C@H]1CO1 TS46617 [0,1,0,1,0,0|1,0,1]=4 1691 B7R1.14 C1CS(=O)(=O)N=C1 TS89109 [0,1,0,1,0,0|2,0,0]=4