0 B6R0.9 B(CC)(CC)CC TS31417 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.9 B(CC)(CC)OC TS31480 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.9 C(=O)C(C=O)C=O TS60168 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.9 C(C(CBr)CBr)O TS25153 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.9 CCC(=CC)C=O TS31448 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.9 CCC(CC)C=C TS03805 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.9 CCC(CC)CBr TS11973 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.9 CCC(CC)CCl TS04847 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.9 CCC(CC)CN TS55314 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.9 CCC(CC)CO TS03962 [0,0,0,0,0,0|0,0,2]=2 10 B6R0.9 CCC(CO)CO TS04037 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.9 CCC(OC)OC TS04030 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.9 CCN(CC)C=O TS39410 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.9 CCN(CC)CC TS00288 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.9 CCN(CC)CC TS00289 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.9 CCN(CC)CC TS42336 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.9 CCN(CC)CC TS48183 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.9 CCN(CC)CC TS70162 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.9 CCN(CC)CC TS94058 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.9 CCN(CC)CO TS04009 [0,0,0,0,0,0|1,0,2]=3 20 B6R0.9 CCN(CC)N=O TS31604 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.9 CCP(CC)CC TS04731 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.9 CCP(CC)CC TS27543 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.9 CCP(CC)CC TS79051 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.9 CCP(CC)CC TS83252 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.9 CCP(OC)OC TS32484 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.9 CC[Al](CC)CC TS32086 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.9 CC[As](CC)CC TS11491 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.9 CC[Ga](CC)CC TS10805 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.9 CC[GeH](CC)CC TS11342 [0,0,0,0,0,0|1,1,1]=3 30 B6R0.9 CC[In](CC)CC TS19303 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.9 CC[O+](CC)CC TS01629 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.9 CC[O+](CC)CC TS27702 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.9 CC[S+](CC)CC TS20090 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.9 CC[Sb](CC)CC TS43572 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.9 CC[SiH](CC)CC TS00290 [0,0,0,0,0,0|1,1,1]=3 36 B6R0.9 COC(C=C)OC TS31593 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.9 COC(C=O)OC TS31669 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.9 COC(CBr)OC TS00844 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.9 COC(CCl)OC TS36029 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.9 COC(CN)OC TS34632 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.9 COC(CO)C=C TS03957 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.9 COC(OC)OC TS00293 [0,0,0,0,0,0|4,0,0]=4 43 B6R0.9 CSC(SC)SC TS10515 [0,0,0,0,0,0|4,0,0]=4 44 B6R0.9 C[Se]C([Se]C)[Se]C TS58521 [0,0,0,0,0,0|4,0,0]=4 45 B5R0.3 C(=O)C(C=O)Br TS00849 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.3 C(=O)C(C=O)Cl TS31730 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.3 C(=O)C(C=O)F TS03615 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.3 C(C(=O)CBr)Br TS21961 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.3 C(C(=O)CCl)Cl TS36200 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.3 C(C(=O)CF)F TS03661 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.3 C(C(=O)CI)I TS60842 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.3 C(C(=O)CN)N TS11357 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.3 C(C(=O)CO)O TS46803 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.3 C(C(C=O)O)O TS47844 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.3 C(C(CBr)Br)Br TS54387 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.3 C(C(CBr)Br)Cl TS25944 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.3 C(C(CBr)Br)O TS22312 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.3 C(C(CBr)O)Br TS22311 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.3 C(C(CBr)O)F TS10809 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.3 C(C(CBr)O)O TS10534 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.3 C(C(CCl)Cl)Cl TS07383 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.3 C(C(CCl)Cl)O TS36383 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.3 C(C(CCl)O)Cl TS07880 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 C(C(CCl)O)F TS31988 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 C(C(CCl)O)O TS08669 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.3 C(C(CF)Cl)F TS32129 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.3 C(C(CF)O)F TS03710 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.3 C(C(CN)O)N TS46792 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.3 C(C(CO)N)O TS65262 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.3 C(C(CO)N)O TS65263 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.3 C(C(CO)N)O TS74211 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.3 C(C(CO)O)N TS39698 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.3 C(C(CO)O)O TS03653 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.3 C(C(CO)O)O TS64624 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.3 C(C(CO)O)O TS93602 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.3 C(C(CS)O)O TS31781 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.3 C(C(CS)S)O TS47162 [1,0,0,0,0,0|2,1,0]=4 78 B5R0.3 C([C@@H](C=O)O)O TS03618 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.3 C([C@@H](C=O)O)O TS08118 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.3 C([C@@H](CBr)O)O TS10532 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.3 C([C@@H](CCl)O)N TS93716 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.3 C([C@@H](CCl)O)O TS59492 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.3 C([C@@H](CO)O)N TS05290 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 C([C@@H](CO)O)N TS08134 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.3 C([C@H](C=O)O)O TS07853 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.3 C([C@H](CBr)O)O TS10533 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.3 C([C@H](CO)O)N TS08079 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.3 C=C(CCl)CCl TS39712 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.3 C=C(CO)CO TS65602 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.3 C=CC(CBr)O TS40965 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.3 C=CC(CO)O TS03577 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.3 C=C[C@@H](CO)N TS04992 [1,0,0,0,0,0|3,0,0]=4 93 B5R0.3 C=C[C@@H](CO)O TS03582 [1,0,0,0,0,0|3,0,0]=4 94 B5R0.3 C=C[C@H](CO)N TS04990 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.3 C=C[C@H](CO)O TS03583 [1,0,0,0,0,0|3,0,0]=4 96 B5R0.3 CC(=CN)C=O TS07741 [1,0,0,0,0,0|1,0,2]=4 97 B5R0.3 CC(C#C)NC TS71701 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.3 CC(C=C)C#N TS03444 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.3 CC(C=C)[Mg]Cl TS32133 [1,0,0,0,0,0|3,0,0]=4 100 B5R0.3 CC(CCl)CBr TS00026 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.3 CC(CO)C=C TS71745 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.3 CC(CO)CO TS71833 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.3 CC(OC)OC TS71840 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.3 CC([Se]C)[Se]C TS44785 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.3 CC=C(C)C=C TS03466 [1,0,0,0,0,0|1,0,2]=4 106 B5R0.3 CC=C(C)C=C TS71680 [1,0,0,0,0,0|1,0,2]=4 107 B5R0.3 CC=C(C)C=O TS03488 [1,0,0,0,0,0|0,0,2]=3 108 B5R0.3 CC=C(C=O)Cl TS04052 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.3 CCC(=C)C=C TS71686 [1,0,0,0,0,0|0,0,3]=4 110 B5R0.3 CCC(=C)CC TS71714 [1,0,0,0,0,0|0,0,1]=2 111 B5R0.3 CCC(=NO)C TS03558 [1,0,0,0,0,0|1,0,2]=4 112 B5R0.3 CCC(=O)C=C TS03496 [1,0,0,0,0,0|0,0,3]=4 113 B5R0.3 CCC(=O)C=O TS03524 [1,0,0,0,0,0|1,0,1]=3 114 B5R0.3 CCC(=O)CBr TS00020 [1,0,0,0,0,0|1,0,1]=3 115 B5R0.3 CCC(=O)CC TS00240 [1,0,0,0,0,0|0,0,1]=2 116 B5R0.3 CCC(=O)CCl TS31736 [1,0,0,0,0,0|1,0,1]=3 117 B5R0.3 CCC(=O)CO TS05538 [1,0,0,0,0,0|1,0,1]=3 118 B5R0.3 CCC(=O)NC TS03562 [1,0,0,0,0,0|1,0,1]=3 119 B5R0.3 CCC(=O)NN TS03589 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.3 CCC(=O)OC TS03587 [1,0,0,0,0,0|1,0,1]=3 121 B5R0.3 CCC(=S)OC TS31680 [1,0,0,0,0,0|1,1,1]=4 122 B5R0.3 CCC(C#C)O TS03494 [1,0,0,0,0,0|0,0,3]=4 123 B5R0.3 CCC(C#N)O TS03503 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.3 CCC(C)C#C TS03468 [1,0,0,0,0,0|1,0,1]=3 125 B5R0.3 CCC(C)C=O TS03536 [1,0,0,0,0,0|0,0,0]=1 126 B5R0.3 CCC(C)CBr TS09987 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.3 CCC(C)CC TS03546 [1,0,0,0,0,0|0,0,1]=2 128 B5R0.3 CCC(C)CCl TS31746 [1,0,0,0,0,0|1,0,1]=3 129 B5R0.3 CCC(C)CI TS18546 [1,0,0,0,0,0|1,0,1]=3 130 B5R0.3 CCC(C)CN TS71788 [1,0,0,0,0,0|1,0,1]=3 131 B5R0.3 CCC(C)CO TS03593 [1,0,0,0,0,0|0,0,2]=3 132 B5R0.3 CCC(C)CS TS31698 [1,0,0,0,0,0|0,1,1]=3 133 B5R0.3 CCC(C)NC TS04995 [1,0,0,0,0,0|1,0,1]=3 134 B5R0.3 CCC(C)NC TS71785 [1,0,0,0,0,0|1,0,1]=3 135 B5R0.3 CCC(C)OC TS71803 [1,0,0,0,0,0|1,0,1]=3 136 B5R0.3 CCC(C)ON TS36089 [1,0,0,0,0,0|2,0,0]=3 137 B5R0.3 CCC(C)SC TS31697 [1,0,0,0,0,0|1,0,1]=3 138 B5R0.3 CCC(C)[Mg]Br TS11456 [1,0,0,0,0,0|2,0,0]=3 139 B5R0.3 CCC(C)[Mg]Cl TS32262 [1,0,0,0,0,0|2,0,0]=3 140 B5R0.3 CCC(C=C)O TS71760 [1,0,0,0,0,0|2,0,0]=3 141 B5R0.3 CCC(CBr)Br TS21966 [1,0,0,0,0,0|2,0,0]=3 142 B5R0.3 CCC(CBr)Cl TS13062 [1,0,0,0,0,0|2,0,0]=3 143 B5R0.3 CCC(CBr)O TS10270 [1,0,0,0,0,0|1,0,1]=3 144 B5R0.3 CCC(CC)Br TS09988 [1,0,0,0,0,0|1,0,0]=2 145 B5R0.3 CCC(CC)Cl TS31745 [1,0,0,0,0,0|1,0,0]=2 146 B5R0.3 CCC(CC)F TS71849 [1,0,0,0,0,0|1,0,0]=2 147 B5R0.3 CCC(CC)I TS18549 [1,0,0,0,0,0|1,0,0]=2 148 B5R0.3 CCC(CC)N TS00440 [1,0,0,0,0,0|1,0,0]=2 149 B5R0.3 CCC(CC)O TS00239 [1,0,0,0,0,0|0,0,1]=2 150 B5R0.3 CCC(CC)[Zn+] TS49169 [1,0,0,0,0,0|1,0,0]=2 151 B5R0.3 CCC(CCl)Cl TS36203 [1,0,0,0,0,0|2,0,0]=3 152 B5R0.3 CCC(CN)N TS71807 [1,0,0,0,0,0|2,0,0]=3 153 B5R0.3 CCC(CN)O TS03604 [1,0,0,0,0,0|1,0,1]=3 154 B5R0.3 CCC(CO)N TS03601 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.3 CCC(CS)S TS04932 [1,0,0,0,0,0|1,1,0]=3 156 B5R0.3 CCN(C)CC TS71781 [1,0,0,0,0,0|1,0,1]=3 157 B5R0.3 CCN(C)N=O TS03588 [1,0,0,0,0,0|2,0,0]=3 158 B5R0.3 CCN(CC)O TS03599 [1,0,0,0,0,0|1,0,1]=3 159 B5R0.3 CCP(CC)Cl TS36025 [1,0,0,0,0,0|2,0,0]=3 160 B5R0.3 CCS(=O)CC TS04104 [1,0,0,0,0,0|1,0,0]=2 161 B5R0.3 CC[Al](CC)Cl TS27650 [1,0,0,0,0,0|2,0,0]=3 162 B5R0.3 CC[C@@H](CO)O TS71836 [1,0,0,0,0,0|1,0,1]=3 163 B5R0.3 CC[C@H](C)C#N TS71705 [1,0,0,0,0,0|1,0,1]=3 164 B5R0.3 CC[C@H](C)CBr TS39655 [1,0,0,0,0,0|1,0,1]=3 165 B5R0.3 CC[C@H](C)CCl TS31744 [1,0,0,0,0,0|1,0,1]=3 166 B5R0.3 CC[C@H](CO)N TS03605 [1,0,0,0,0,0|2,0,0]=3 167 B5R0.3 CC[C@H](CO)O TS71838 [1,0,0,0,0,0|1,0,1]=3 168 B5R0.3 CC[SiH](C)CC TS03988 [1,0,0,0,0,0|0,1,1]=3 169 B5R0.3 CC[Sn](=O)CC TS17584 [1,0,0,0,0,0|1,0,0]=2 170 B5R0.3 CNC(=O)CCl TS04119 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.3 CNC(=O)CN TS36033 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.3 CNC(=O)NC TS08682 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.3 COC(=O)C=O TS65230 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.3 COC(=O)CBr TS08895 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.3 COC(=O)CCl TS39826 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.3 COC(=O)CF TS65235 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.3 COC(=O)CN TS36079 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.3 COC(=O)CN TS93910 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.3 COC(=O)CO TS03617 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.3 COC(=O)CS TS39888 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.3 COC(=O)OC TS33240 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.3 COS(=O)OC TS31831 [1,0,0,0,0,0|3,0,0]=4 183 B5R0.3 CSC(=C)SC TS32439 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.3 CSC(=O)SC TS04928 [1,0,0,0,0,0|2,0,1]=4 185 B5R0.3 C[C@@H](CO)CBr TS10268 [1,0,0,0,0,0|1,0,2]=4 186 B5R0.3 C[C@H](CO)CBr TS10271 [1,0,0,0,0,0|1,0,2]=4 187 B7R0.12 CCC(CC)CCO TS32252 [0,1,0,0,0,0|0,0,2]=3 188 B7R0.12 CCC(CC)N=C=S TS36441 [0,1,0,0,0,0|0,1,1]=3 189 B7R0.12 CCC(CC)OC=O TS32223 [0,1,0,0,0,0|0,0,0]=1 190 B7R0.12 CCC=C(CC)CC TS04344 [0,1,0,0,0,0|1,0,1]=3 191 B7R0.12 CCCC(CC)CC TS04503 [0,1,0,0,0,0|1,0,1]=3 192 B7R0.12 CCCC(CC)CO TS32241 [0,1,0,0,0,0|0,0,2]=3 193 B7R0.12 CCCC(CO)CO TS32343 [0,1,0,0,0,0|1,0,2]=4 194 B7R0.12 CCCN(CC)CC TS04562 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.12 CCN(CC)CC#C TS10858 [0,1,0,0,0,0|2,0,1]=4 196 B7R0.12 CCN(CC)CC#C TS31889 [0,1,0,0,0,0|2,0,1]=4 197 B7R0.12 CCN(CC)CC=C TS32028 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.12 CCN(CC)CCBr TS29610 [0,1,0,0,0,0|2,0,1]=4 199 B7R0.12 CCN(CC)CCCl TS06027 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.12 CCN(CC)CCCl TS13111 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.12 CCN(CC)CCN TS16125 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.12 CCN(CC)CCN TS56347 [0,1,0,0,0,0|2,0,1]=4 203 B7R0.12 CCN(CC)CCO TS32287 [0,1,0,0,0,0|1,0,2]=4 204 B7R0.12 CCN(CC)CCO TS41323 [0,1,0,0,0,0|1,0,2]=4 205 B7R0.12 CCN(CC)CCO TS92957 [0,1,0,0,0,0|1,0,2]=4 206 B7R0.12 CCN(CC)CCS TS36786 [0,1,0,0,0,0|1,1,1]=4 207 B7R0.12 CCN(CC)CCS TS45065 [0,1,0,0,0,0|1,1,1]=4 208 B7R0.12 CCN(CCO)N=O TS32331 [0,1,0,0,0,0|2,0,0]=3 209 B7R0.12 COC(CCBr)OC TS09492 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.12 COC(CSC)OC TS06112 [0,1,0,0,0,0|3,0,0]=4 211 B7R0.12 COCC(OC)OC TS16403 [0,1,0,0,0,0|3,0,0]=4 212 B7R0.15 C(C(CBr)C(=O)O)Br TS27393 [0,1,0,0,0,0|2,0,0]=3 213 B7R0.15 CC(=O)C(OC)OC TS01675 [0,1,0,0,0,0|2,0,0]=3 214 B7R0.15 CCC(=C(C)C)CC TS31979 [0,1,0,0,0,0|1,0,1]=3 215 B7R0.15 CCC(=CC)C(C)C TS31976 [0,1,0,0,0,0|1,0,1]=3 216 B7R0.15 CCC(C=O)C(C)C TS32780 [0,1,0,0,0,0|0,0,0]=1 217 B7R0.15 CCC(CC)C(=C)C TS31969 [0,1,0,0,0,0|1,0,0]=2 218 B7R0.15 CCC(CC)C(=O)C TS04458 [0,1,0,0,0,0|0,0,0]=1 219 B7R0.15 CCC(CC)C(=O)Cl TS05951 [0,1,0,0,0,0|0,0,0]=1 220 B7R0.15 CCC(CC)C(=O)O TS04596 [0,1,0,0,0,0|0,0,0]=1 221 B7R0.15 CCC(CC)C(=O)[O-] TS28700 [0,1,0,0,0,0|0,0,0]=1 222 B7R0.15 CCC(CC)C(C)C TS04501 [0,1,0,0,0,0|1,0,1]=3 223 B7R0.15 CCC(CC)C(C)O TS32240 [0,1,0,0,0,0|0,0,2]=3 224 B7R0.15 CCC(CO)[N+](=O)[O-] TS32388 [0,1,0,0,0,0|2,0,0]=3 225 B7R0.15 CCN(CC)C(=N)N TS04542 [0,1,0,0,0,0|2,0,0]=3 226 B7R0.15 CCN(CC)C(=N)N TS63547 [0,1,0,0,0,0|2,0,0]=3 227 B7R0.15 CCN(CC)C(=O)C TS32172 [0,1,0,0,0,0|1,0,0]=2 228 B7R0.15 CCN(CC)C(=O)Cl TS06022 [0,1,0,0,0,0|1,0,0]=2 229 B7R0.15 CCN(CC)C(=O)N TS04608 [0,1,0,0,0,0|1,0,0]=2 230 B7R0.15 CCN(CC)C(=S)Cl TS10099 [0,1,0,0,0,0|1,1,0]=3 231 B7R0.15 CCN(CC)C(=S)[S-] TS23554 [0,1,0,0,0,0|1,1,0]=3 232 B7R0.15 CCN(CC)C(=S)[S-] TS28872 [0,1,0,0,0,0|1,1,0]=3 233 B7R0.15 CCN(CC)C(=S)[S-] TS43151 [0,1,0,0,0,0|1,1,0]=3 234 B7R0.15 CCN(CC)C(=S)[S-] TS66152 [0,1,0,0,0,0|1,1,0]=3 235 B7R0.15 CCN(CC)C(=S)[S-] TS66363 [0,1,0,0,0,0|1,1,0]=3 236 B7R0.15 CCN(CC)C(=S)[S-] TS66462 [0,1,0,0,0,0|1,1,0]=3 237 B7R0.15 CCN(CC)C(=S)[S-] TS81378 [0,1,0,0,0,0|1,1,0]=3 238 B7R0.15 CCN(CC)C(=S)[S-] TS83278 [0,1,0,0,0,0|1,1,0]=3 239 B7R0.15 CCN(CC)C(=S)[S-] TS84312 [0,1,0,0,0,0|1,1,0]=3 240 B7R0.15 CCN(CC)C(=S)[S-] TS93332 [0,1,0,0,0,0|1,1,0]=3 241 B7R0.15 CCN(CC)P(Cl)Cl TS45714 [0,1,0,0,0,0|3,0,0]=4 242 B7R0.15 CCN(CC)[SiH](C)C TS36632 [0,1,0,0,0,0|2,1,0]=4 243 B7R0.15 CC[C@H](CO)C(=O)O TS04708 [0,1,0,0,0,0|1,0,0]=2 244 B7R0.15 CC[SiH](CC)C(C)C TS36559 [0,1,0,0,0,0|1,1,1]=4 245 B7R0.15 CNC(CS)C(=O)O TS45390 [0,1,0,0,0,0|2,0,0]=3 246 B7R0.15 CN[C@@H](CO)C(=O)O TS32387 [0,1,0,0,0,0|2,0,0]=3 247 B7R0.15 CN[C@@H](C[SeH])C(=O)O TS48173 [0,1,0,0,0,0|2,0,0]=3 248 B7R0.18 B=N(CC)(CC)CC TS33226 [0,1,0,0,0,0|2,0,1]=4 249 B7R0.18 CCC(C)(CC)C=C TS31956 [0,1,0,0,0,0|1,0,0]=2 250 B7R0.18 CCC(C)(CC)CC TS04506 [0,1,0,0,0,0|1,0,1]=3 251 B7R0.18 CCC(C)(CC)CO TS55446 [0,1,0,0,0,0|0,0,2]=3 252 B7R0.18 CCC(C)(CO)CO TS04736 [0,1,0,0,0,0|1,0,2]=4 253 B7R0.18 CCC(CC)(C#C)N TS31886 [0,1,0,0,0,0|1,0,1]=3 254 B7R0.18 CCC(CC)(C#C)O TS31933 [0,1,0,0,0,0|1,0,1]=3 255 B7R0.18 CCC(CC)(C#N)O TS32008 [0,1,0,0,0,0|1,0,1]=3 256 B7R0.18 CCC(CC)(CC)O TS04620 [0,1,0,0,0,0|1,0,1]=3 257 B7R0.18 CCC(CC)(CC)S TS36718 [0,1,0,0,0,0|1,0,1]=3 258 B7R0.18 CCC(CO)(CO)N TS04788 [0,1,0,0,0,0|1,0,2]=4 259 B7R0.18 CCN(=O)(CC)CC TS32300 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.18 CCP(=O)(CC)CC TS05894 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.18 CCP(=S)(CC)CC TS09953 [0,1,0,0,0,0|2,0,1]=4 262 B7R0.18 CC[Ge](CC)(CC)Br TS57295 [0,1,0,0,0,0|1,1,1]=4 263 B7R0.18 CC[N+](C)(CC)CC TS10101 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.18 CC[N+](C)(CC)CC TS36784 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.18 CC[N+](C)(CC)CC TS53601 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.18 CC[Pb](CC)(CC)Cl TS77840 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.18 CC[Si](CC)(CC)Cl TS09982 [0,1,0,0,0,0|1,1,1]=4 268 B7R0.18 CC[Si](CC)(CC)O TS36720 [0,1,0,0,0,0|1,1,1]=4 269 B7R0.18 CC[Sn](CC)(CC)Cl TS57578 [0,1,0,0,0,0|2,0,1]=4 270 B7R1.1 C#CC1CCCC1 TS03680 [0,0,0,1,0,0|1,0,1]=3 271 B7R1.1 C#CC1CCCC1 TS43724 [0,0,0,1,0,0|1,0,1]=3 272 B7R1.1 C#CC1CCOC1 TS90205 [0,0,0,1,0,0|2,0,1]=4 273 B7R1.1 C1C=C(CS1)C=O TS04454 [0,0,0,1,0,0|1,0,2]=4 274 B7R1.1 C1CC(NC1)C#N TS31381 [0,0,0,1,0,0|2,0,1]=4 275 B7R1.1 C1CC(NC1)CN TS08246 [0,0,0,1,0,0|2,0,1]=4 276 B7R1.1 C1CC(OC1)C=O TS16819 [0,0,0,1,0,0|1,0,0]=2 277 B7R1.1 C1CC(OC1)CBr TS42845 [0,0,0,1,0,0|2,0,1]=4 278 B7R1.1 C1CC(OC1)CCl TS32449 [0,0,0,1,0,0|2,0,1]=4 279 B7R1.1 C1CC(OC1)CN TS39685 [0,0,0,1,0,0|2,0,1]=4 280 B7R1.1 C1CC(OC1)CO TS59435 [0,0,0,1,0,0|1,0,2]=4 281 B7R1.1 C1CC=C(C1)CBr TS90531 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.1 C1CCC(C1)C#N TS03699 [0,0,0,1,0,0|1,0,1]=3 283 B7R1.1 C1CCC(C1)C=O TS55823 [0,0,0,1,0,0|0,0,0]=1 284 B7R1.1 C1CCC(C1)CBr TS16535 [0,0,0,1,0,0|1,0,1]=3 285 B7R1.1 C1CCC(C1)CO TS31527 [0,0,0,1,0,0|0,0,2]=3 286 B7R1.1 C1CCC(C1)CO TS44787 [0,0,0,1,0,0|0,0,2]=3 287 B7R1.1 C1CCC(C1)NN TS55828 [0,0,0,1,0,0|2,0,0]=3 288 B7R1.1 C1CCC(C1)[Mg]Br TS45683 [0,0,0,1,0,0|2,0,0]=3 289 B7R1.1 C1CCN(C1)C#N TS31374 [0,0,0,1,0,0|2,0,1]=4 290 B7R1.1 C1CCN(C1)C=O TS03825 [0,0,0,1,0,0|1,0,0]=2 291 B7R1.1 C1CCN(C1)CI TS43938 [0,0,0,1,0,0|2,0,1]=4 292 B7R1.1 C1CCN(C1)N=O TS03853 [0,0,0,1,0,0|2,0,0]=3 293 B7R1.1 C1CNCC1C#N TS22733 [0,0,0,1,0,0|2,0,1]=4 294 B7R1.1 C1CNCC1C#N TS86150 [0,0,0,1,0,0|2,0,1]=4 295 B7R1.1 C1CNCC1CO TS01674 [0,0,0,1,0,0|1,0,2]=4 296 B7R1.1 C1CNCC1CO TS90843 [0,0,0,1,0,0|1,0,2]=4 297 B7R1.1 C1CNC[C@@H]1C#N TS89338 [0,0,0,1,0,0|2,0,1]=4 298 B7R1.1 C1CNC[C@@H]1CO TS86165 [0,0,0,1,0,0|1,0,2]=4 299 B7R1.1 C1CNC[C@@H]1CO TS87755 [0,0,0,1,0,0|1,0,2]=4 300 B7R1.1 C1CNC[C@H]1C#N TS85734 [0,0,0,1,0,0|2,0,1]=4 301 B7R1.1 C1CNC[C@H]1CO TS90835 [0,0,0,1,0,0|1,0,2]=4 302 B7R1.1 C1CNC[C@H]1CO TS91204 [0,0,0,1,0,0|1,0,2]=4 303 B7R1.1 C1COCC1C#N TS31394 [0,0,0,1,0,0|2,0,1]=4 304 B7R1.1 C1COCC1C=O TS85084 [0,0,0,1,0,0|1,0,0]=2 305 B7R1.1 C1COCC1CBr TS42850 [0,0,0,1,0,0|1,0,2]=4 306 B7R1.1 C1COCC1CCl TS32453 [0,0,0,1,0,0|1,0,2]=4 307 B7R1.1 C1COCC1CI TS21229 [0,0,0,1,0,0|1,0,2]=4 308 B7R1.1 C1COCC1CN TS37140 [0,0,0,1,0,0|1,0,2]=4 309 B7R1.1 C1COCC1CO TS90635 [0,0,0,1,0,0|1,0,2]=4 310 B7R1.1 C1COCC1NN TS13628 [0,0,0,1,0,0|3,0,0]=4 311 B7R1.1 C1COC[C@@H]1C#N TS87940 [0,0,0,1,0,0|2,0,1]=4 312 B7R1.1 C1COC[C@@H]1CN TS86866 [0,0,0,1,0,0|1,0,2]=4 313 B7R1.1 C1COC[C@@H]1CO TS90533 [0,0,0,1,0,0|1,0,2]=4 314 B7R1.1 C1COC[C@H]1C#N TS85881 [0,0,0,1,0,0|2,0,1]=4 315 B7R1.1 C1COC[C@H]1CN TS87555 [0,0,0,1,0,0|1,0,2]=4 316 B7R1.1 C1COC[C@H]1CO TS91740 [0,0,0,1,0,0|1,0,2]=4 317 B7R1.1 C1C[C@@H](NC1)C#N TS36734 [0,0,0,1,0,0|2,0,1]=4 318 B7R1.1 C1C[C@@H](NC1)C#N TS90491 [0,0,0,1,0,0|2,0,1]=4 319 B7R1.1 C1C[C@@H](NC1)CO TS55885 [0,0,0,1,0,0|1,0,2]=4 320 B7R1.1 C1C[C@@H](OC1)CN TS08645 [0,0,0,1,0,0|2,0,1]=4 321 B7R1.1 C1C[C@H](NC1)C#N TS46676 [0,0,0,1,0,0|2,0,1]=4 322 B7R1.1 C1C[C@H](NC1)C#N TS90329 [0,0,0,1,0,0|2,0,1]=4 323 B7R1.1 C1C[C@H](NC1)CF TS37317 [0,0,0,1,0,0|2,0,1]=4 324 B7R1.1 C1C[C@H](NC1)CF TS86985 [0,0,0,1,0,0|2,0,1]=4 325 B7R1.1 C1C[C@H](NC1)CN TS03869 [0,0,0,1,0,0|2,0,1]=4 326 B7R1.1 C1C[C@H](NC1)CN TS86369 [0,0,0,1,0,0|2,0,1]=4 327 B7R1.1 C1C[C@H](NC1)CO TS46675 [0,0,0,1,0,0|1,0,2]=4 328 B7R1.1 C1C[C@H](NC1)CO TS90617 [0,0,0,1,0,0|1,0,2]=4 329 B7R1.1 C1C[C@H](OC1)CN TS07684 [0,0,0,1,0,0|2,0,1]=4 330 B7R1.1 C1C[C@H](OC1)CO TS03948 [0,0,0,1,0,0|1,0,2]=4 331 B7R1.1 C=CC1CCCC1 TS44110 [0,0,0,1,0,0|1,0,0]=2 332 B7R1.1 C=CC1OCCO1 TS03848 [0,0,0,1,0,0|3,0,0]=4 333 B7R1.1 CC=C1CCCC1 TS03729 [0,0,0,1,0,0|1,0,1]=3 334 B7R1.1 CCC1=CCCC1 TS03731 [0,0,0,1,0,0|1,0,1]=3 335 B7R1.1 CCC1CCC=C1 TS03720 [0,0,0,1,0,0|1,0,0]=2 336 B7R1.1 CCC1CCCC1 TS21020 [0,0,0,1,0,0|1,0,1]=3 337 B7R1.1 CCC1CCCC1 TS21612 [0,0,0,1,0,0|1,0,1]=3 338 B7R1.1 CCC1CCCC1 TS35071 [0,0,0,1,0,0|1,0,1]=3 339 B7R1.1 CCC1CCCC1 TS57108 [0,0,0,1,0,0|1,0,1]=3 340 B7R1.1 CCC1CCCC1 TS57519 [0,0,0,1,0,0|1,0,1]=3 341 B7R1.1 CCC1CCCC1 TS62096 [0,0,0,1,0,0|1,0,1]=3 342 B7R1.1 CCC1CCCC1 TS70230 [0,0,0,1,0,0|1,0,1]=3 343 B7R1.1 CCC1CCCC1 TS70344 [0,0,0,1,0,0|1,0,1]=3 344 B7R1.1 CCC1CCCC1 TS75798 [0,0,0,1,0,0|1,0,1]=3 345 B7R1.1 CCC1CCCC1 TS78923 [0,0,0,1,0,0|1,0,1]=3 346 B7R1.1 CCC1CCCC1 TS80049 [0,0,0,1,0,0|1,0,1]=3 347 B7R1.1 CCC1OCCO1 TS03937 [0,0,0,1,0,0|3,0,0]=4 348 B7R1.1 CCN1CCCC1 TS03828 [0,0,0,1,0,0|2,0,1]=4 349 B7R1.1 CNC1CCNC1 TS03875 [0,0,0,1,0,0|2,0,1]=4 350 B7R1.1 CNC1CCOC1 TS87367 [0,0,0,1,0,0|1,0,2]=4 351 B7R1.1 CN[C@@H]1CCNC1 TS03876 [0,0,0,1,0,0|2,0,1]=4 352 B7R1.1 CN[C@@H]1CCOC1 TS90607 [0,0,0,1,0,0|1,0,2]=4 353 B7R1.1 CN[C@H]1CCOC1 TS85956 [0,0,0,1,0,0|1,0,2]=4 354 B7R1.1 COC1CCCC1 TS03863 [0,0,0,1,0,0|2,0,0]=3 355 B7R1.1 COC1CCNC1 TS02829 [0,0,0,1,0,0|2,0,1]=4 356 B7R1.1 COC1CCNC1 TS90836 [0,0,0,1,0,0|2,0,1]=4 357 B7R1.1 CO[C@@H]1CCNC1 TS88166 [0,0,0,1,0,0|2,0,1]=4 358 B7R1.1 CO[C@@H]1CCNC1 TS89625 [0,0,0,1,0,0|2,0,1]=4 359 B7R1.1 CO[C@H]1CCNC1 TS85697 [0,0,0,1,0,0|2,0,1]=4 360 B7R1.1 CSC1CCCC1 TS04638 [0,0,0,1,0,0|2,0,0]=3 361 B7R1.1 [C-]#[N+]C1CCCC1 TS03697 [0,0,0,1,0,0|2,0,0]=3 362 B7R1.8 C1CC(=O)C1CO TS92430 [0,0,0,1,0,0|1,0,0]=2 363 B7R1.8 CN1CCC1CN TS92300 [0,0,0,1,0,0|2,0,1]=4 364 B7R1.8 CN1CC[C@@H]1CN TS91985 [0,0,0,1,0,0|2,0,1]=4 365 B7R1.8 CN1CC[C@H]1CN TS92777 [0,0,0,1,0,0|2,0,1]=4 366 B7R1.29 C1CC1(CO)CO TS34597 [0,0,0,1,0,0|1,0,2]=4 367 B7R1.29 CCC1(CC1)CC TS03796 [0,0,0,1,0,0|1,0,1]=3 368 B4R0.1 C(=O)C(Cl)Cl TS36583 [2,0,0,0,0,0|2,0,0]=4 369 B4R0.1 CC(=C)C=O TS71445 [2,0,0,0,0,0|0,0,2]=4 370 B4R0.1 CC(=C)CBr TS65907 [2,0,0,0,0,0|1,0,1]=4 371 B4R0.1 CC(=C)CCl TS00138 [2,0,0,0,0,0|1,0,1]=4 372 B4R0.1 CC(=C)CN TS02169 [2,0,0,0,0,0|1,0,1]=4 373 B4R0.1 CC(=C)CN TS04121 [2,0,0,0,0,0|1,0,1]=4 374 B4R0.1 CC(=C)CO TS00103 [2,0,0,0,0,0|1,0,1]=4 375 B4R0.1 CC(=C)CS TS71814 [2,0,0,0,0,0|1,0,1]=4 376 B4R0.1 CC(=C)OC TS00091 [2,0,0,0,0,0|1,0,1]=4 377 B4R0.1 CC(=C=O)C TS16967 [2,0,0,0,0,0|0,0,2]=4 378 B4R0.1 CC(=CBr)C TS36907 [2,0,0,0,0,0|1,0,1]=4 379 B4R0.1 CC(=O)C=O TS71593 [2,0,0,0,0,0|1,0,1]=4 380 B4R0.1 CC(=O)CBr TS64992 [2,0,0,0,0,0|1,0,1]=4 381 B4R0.1 CC(=O)CCl TS71869 [2,0,0,0,0,0|1,0,1]=4 382 B4R0.1 CC(=O)CF TS71639 [2,0,0,0,0,0|1,0,1]=4 383 B4R0.1 CC(=O)CO TS39607 [2,0,0,0,0,0|1,0,1]=4 384 B4R0.1 CC(=O)NC TS16313 [2,0,0,0,0,0|1,0,1]=4 385 B4R0.1 CC(=O)OC TS03390 [2,0,0,0,0,0|1,0,1]=4 386 B4R0.1 CC(=O)SC TS71852 [2,0,0,0,0,0|1,0,1]=4 387 B4R0.1 CC(C)C#C TS71006 [2,0,0,0,0,0|1,0,1]=4 388 B4R0.1 CC(C)C#N TS03177 [2,0,0,0,0,0|1,0,1]=4 389 B4R0.1 CC(C)C=O TS00105 [2,0,0,0,0,0|0,0,0]=2 390 B4R0.1 CC(C)CBr TS59896 [2,0,0,0,0,0|1,0,1]=4 391 B4R0.1 CC(C)CCl TS00045 [2,0,0,0,0,0|1,0,1]=4 392 B4R0.1 CC(C)CI TS48514 [2,0,0,0,0,0|1,0,1]=4 393 B4R0.1 CC(C)CN TS01504 [2,0,0,0,0,0|1,0,1]=4 394 B4R0.1 CC(C)CN TS04173 [2,0,0,0,0,0|1,0,1]=4 395 B4R0.1 CC(C)CO TS03402 [2,0,0,0,0,0|0,0,2]=4 396 B4R0.1 CC(C)CS TS02444 [2,0,0,0,0,0|0,1,1]=4 397 B4R0.1 CC(C)C[Al+2] TS10535 [2,0,0,0,0,0|1,0,1]=4 398 B4R0.1 CC(C)C[Zn+] TS19475 [2,0,0,0,0,0|1,0,1]=4 399 B4R0.1 CC(C)NC TS56405 [2,0,0,0,0,0|1,0,1]=4 400 B4R0.1 CC(C)NN TS01925 [2,0,0,0,0,0|2,0,0]=4 401 B4R0.1 CC(C)NO TS04257 [2,0,0,0,0,0|1,0,1]=4 402 B4R0.1 CC(C)NO TS71633 [2,0,0,0,0,0|1,0,1]=4 403 B4R0.1 CC(C)ON TS93804 [2,0,0,0,0,0|2,0,0]=4 404 B4R0.1 CC(C)SC TS71855 [2,0,0,0,0,0|1,0,1]=4 405 B4R0.1 CC(C)[Mg]Br TS07379 [2,0,0,0,0,0|2,0,0]=4 406 B4R0.1 CC(C)[Mg]Cl TS31622 [2,0,0,0,0,0|2,0,0]=4 407 B4R0.1 CC(C)[N+]#[C-] TS03159 [2,0,0,0,0,0|2,0,0]=4 408 B4R0.1 CC(C=C)Br TS36909 [2,0,0,0,0,0|2,0,0]=4 409 B4R0.1 CC(C=C)Cl TS03635 [2,0,0,0,0,0|2,0,0]=4 410 B4R0.1 CC(C=C)O TS71610 [2,0,0,0,0,0|2,0,0]=4 411 B4R0.1 CC(CBr)Cl TS41830 [2,0,0,0,0,0|2,0,0]=4 412 B4R0.1 CC(CBr)O TS06336 [2,0,0,0,0,0|1,0,1]=4 413 B4R0.1 CC(CCl)Cl TS31995 [2,0,0,0,0,0|2,0,0]=4 414 B4R0.1 CC(CCl)O TS03686 [2,0,0,0,0,0|1,0,1]=4 415 B4R0.1 CC(CF)O TS03431 [2,0,0,0,0,0|1,0,1]=4 416 B4R0.1 CC(CN)N TS16685 [2,0,0,0,0,0|2,0,0]=4 417 B4R0.1 CC(CN)O TS71630 [2,0,0,0,0,0|1,0,1]=4 418 B4R0.1 CC(CO)F TS03432 [2,0,0,0,0,0|2,0,0]=4 419 B4R0.1 CC(CO)N TS04255 [2,0,0,0,0,0|2,0,0]=4 420 B4R0.1 CC(CO)O TS22730 [2,0,0,0,0,0|1,0,1]=4 421 B4R0.1 CC(CS)O TS71863 [2,0,0,0,0,0|1,0,1]=4 422 B4R0.1 CC(CS)S TS04156 [2,0,0,0,0,0|1,1,0]=4 423 B4R0.1 CC(C[NH3+])O TS45584 [2,0,0,0,0,0|1,0,1]=4 424 B4R0.1 CC(S)SC TS04152 [2,0,0,0,0,0|1,1,0]=4 425 B4R0.1 CC=C(C)C TS03364 [2,0,0,0,0,0|1,0,1]=4 426 B4R0.1 CCC(=C)Br TS36908 [2,0,0,0,0,0|1,0,1]=4 427 B4R0.1 CCC(=C)C TS03363 [2,0,0,0,0,0|0,0,1]=3 428 B4R0.1 CCC(=C)Cl TS03633 [2,0,0,0,0,0|1,0,1]=4 429 B4R0.1 CCC(=O)Br TS06155 [2,0,0,0,0,0|1,0,1]=4 430 B4R0.1 CCC(=O)C TS71608 [2,0,0,0,0,0|0,0,1]=3 431 B4R0.1 CCC(=O)Cl TS71868 [2,0,0,0,0,0|1,0,1]=4 432 B4R0.1 CCC(=O)F TS71638 [2,0,0,0,0,0|1,0,1]=4 433 B4R0.1 CCC(=O)N TS59820 [2,0,0,0,0,0|1,0,1]=4 434 B4R0.1 CCC(=O)O TS03391 [2,0,0,0,0,0|1,0,1]=4 435 B4R0.1 CCC(=O)[O-] TS03709 [2,0,0,0,0,0|1,0,1]=4 436 B4R0.1 CCC(=O)[O-] TS04307 [2,0,0,0,0,0|1,0,1]=4 437 B4R0.1 CCC(=O)[O-] TS21191 [2,0,0,0,0,0|1,0,1]=4 438 B4R0.1 CCC(=O)[O-] TS28396 [2,0,0,0,0,0|1,0,1]=4 439 B4R0.1 CCC(=O)[O-] TS29272 [2,0,0,0,0,0|1,0,1]=4 440 B4R0.1 CCC(=O)[O-] TS38909 [2,0,0,0,0,0|1,0,1]=4 441 B4R0.1 CCC(=O)[O-] TS48904 [2,0,0,0,0,0|1,0,1]=4 442 B4R0.1 CCC(=O)[O-] TS53540 [2,0,0,0,0,0|1,0,1]=4 443 B4R0.1 CCC(C)Br TS39654 [2,0,0,0,0,0|1,0,0]=3 444 B4R0.1 CCC(C)Cl TS71870 [2,0,0,0,0,0|1,0,0]=3 445 B4R0.1 CCC(C)I TS93849 [2,0,0,0,0,0|1,0,0]=3 446 B4R0.1 CCC(C)N TS03382 [2,0,0,0,0,0|1,0,0]=3 447 B4R0.1 CCC(C)O TS03403 [2,0,0,0,0,0|0,0,1]=3 448 B4R0.1 CCC(C)S TS71856 [2,0,0,0,0,0|0,1,0]=3 449 B4R0.1 CCC(C)[Zn+] TS19473 [2,0,0,0,0,0|1,0,0]=3 450 B4R0.1 CCN(C)C TS03385 [2,0,0,0,0,0|1,0,1]=4 451 B4R0.1 CCS(=O)[O-] TS93504 [2,0,0,0,0,0|2,0,0]=4 452 B4R0.1 CC[C@@H](C)N TS04171 [2,0,0,0,0,0|1,0,0]=3 453 B4R0.1 CC[C@@H](C)O TS03406 [2,0,0,0,0,0|0,0,1]=3 454 B4R0.1 CC[C@H](C)O TS03405 [2,0,0,0,0,0|0,0,1]=3 455 B4R0.1 CC[N+](=O)[O-] TS56409 [2,0,0,0,0,0|2,0,0]=4 456 B4R0.1 CC[SiH](C)C TS71815 [2,0,0,0,0,0|0,1,1]=4 457 B4R0.1 CN(C)C=O TS01574 [2,0,0,0,0,0|1,0,0]=3 458 B4R0.1 CN(C)C=O TS03397 [2,0,0,0,0,0|1,0,0]=3 459 B4R0.1 CN(C)C=O TS31811 [2,0,0,0,0,0|1,0,0]=3 460 B4R0.1 CN(C)C=O TS41262 [2,0,0,0,0,0|1,0,0]=3 461 B4R0.1 CN(C)N=O TS03395 [2,0,0,0,0,0|2,0,0]=4 462 B4R0.1 C[C@@H](CCl)O TS08924 [2,0,0,0,0,0|1,0,1]=4 463 B4R0.1 C[C@@H](CN)N TS45459 [2,0,0,0,0,0|2,0,0]=4 464 B4R0.1 C[C@@H](CN)N TS59565 [2,0,0,0,0,0|2,0,0]=4 465 B4R0.1 C[C@@H](CN)O TS71634 [2,0,0,0,0,0|1,0,1]=4 466 B4R0.1 C[C@@H](CO)Cl TS31359 [2,0,0,0,0,0|2,0,0]=4 467 B4R0.1 C[C@@H](CO)N TS55878 [2,0,0,0,0,0|2,0,0]=4 468 B4R0.1 C[C@@H](CO)O TS46640 [2,0,0,0,0,0|1,0,1]=4 469 B4R0.1 C[C@H](CCl)O TS46601 [2,0,0,0,0,0|1,0,1]=4 470 B4R0.1 C[C@H](CN)N TS31866 [2,0,0,0,0,0|2,0,0]=4 471 B4R0.1 C[C@H](CN)N TS45458 [2,0,0,0,0,0|2,0,0]=4 472 B4R0.1 C[C@H](CN)O TS71631 [2,0,0,0,0,0|1,0,1]=4 473 B4R0.1 C[C@H](CO)Cl TS03688 [2,0,0,0,0,0|2,0,0]=4 474 B4R0.1 C[C@H](CO)N TS01415 [2,0,0,0,0,0|2,0,0]=4 475 B4R0.1 C[C@H](CO)O TS59482 [2,0,0,0,0,0|1,0,1]=4 476 B4R0.1 C[N+](=CBr)C TS22154 [2,0,0,0,0,0|2,0,0]=4 477 B4R0.1 C[N+](=CCl)C TS05301 [2,0,0,0,0,0|2,0,0]=4 478 B4R0.2 C(C=O)C=O TS71592 [2,0,0,0,0,0|1,0,1]=4 479 B4R0.2 C(CBr)CBr TS46797 [2,0,0,0,0,0|2,0,0]=4 480 B4R0.2 C(CBr)CI TS27842 [2,0,0,0,0,0|2,0,0]=4 481 B4R0.2 C(CCl)C=O TS71867 [2,0,0,0,0,0|1,0,0]=3 482 B4R0.2 C(CCl)CBr TS46925 [2,0,0,0,0,0|2,0,0]=4 483 B4R0.2 C(CCl)CCl TS31994 [2,0,0,0,0,0|2,0,0]=4 484 B4R0.2 C(CF)CBr TS37464 [2,0,0,0,0,0|2,0,0]=4 485 B4R0.2 C(CF)CF TS71664 [2,0,0,0,0,0|2,0,0]=4 486 B4R0.2 C(CI)CI TS93960 [2,0,0,0,0,0|2,0,0]=4 487 B4R0.2 C(CN)CBr TS09494 [2,0,0,0,0,0|2,0,0]=4 488 B4R0.2 C(CN)CCl TS00183 [2,0,0,0,0,0|2,0,0]=4 489 B4R0.2 C(CN)CF TS04405 [2,0,0,0,0,0|2,0,0]=4 490 B4R0.2 C(CN)CN TS07879 [2,0,0,0,0,0|2,0,0]=4 491 B4R0.2 C(CN)CN TS34480 [2,0,0,0,0,0|2,0,0]=4 492 B4R0.2 C(CN)CN TS40489 [2,0,0,0,0,0|2,0,0]=4 493 B4R0.2 C(CN)CO TS04258 [2,0,0,0,0,0|2,0,0]=4 494 B4R0.2 C(CN)CO TS08858 [2,0,0,0,0,0|2,0,0]=4 495 B4R0.2 C(CO)CBr TS59604 [2,0,0,0,0,0|2,0,0]=4 496 B4R0.2 C(CO)CCl TS02021 [2,0,0,0,0,0|2,0,0]=4 497 B4R0.2 C(CO)CF TS00151 [2,0,0,0,0,0|2,0,0]=4 498 B4R0.2 C(CO)CI TS70633 [2,0,0,0,0,0|2,0,0]=4 499 B4R0.2 C(CO)CO TS00379 [2,0,0,0,0,0|2,0,0]=4 500 B4R0.2 C(CP)CP TS04129 [2,0,0,0,0,0|2,0,0]=4 501 B4R0.2 C(CS)CCl TS31868 [2,0,0,0,0,0|2,0,0]=4 502 B4R0.2 C(CS)CS TS04153 [2,0,0,0,0,0|2,0,0]=4 503 B4R0.2 C=CCCBr TS03033 [2,0,0,0,0,0|2,0,0]=4 504 B4R0.2 C=CCCCl TS03638 [2,0,0,0,0,0|2,0,0]=4 505 B4R0.2 C=CCCN TS01596 [2,0,0,0,0,0|2,0,0]=4 506 B4R0.2 C=CCCN TS04120 [2,0,0,0,0,0|2,0,0]=4 507 B4R0.2 C=CCCO TS71598 [2,0,0,0,0,0|2,0,0]=4 508 B4R0.2 CC=CC=O TS16977 [2,0,0,0,0,0|0,0,2]=4 509 B4R0.2 CCC#CC TS03009 [2,0,0,0,0,0|0,0,2]=4 510 B4R0.2 CCC=CBr TS33033 [2,0,0,0,0,0|1,0,1]=4 511 B4R0.2 CCC=CC TS03361 [2,0,0,0,0,0|0,0,2]=4 512 B4R0.2 CCC=CCl TS03636 [2,0,0,0,0,0|1,0,1]=4 513 B4R0.2 CCC=CCl TS03637 [2,0,0,0,0,0|1,0,1]=4 514 B4R0.2 CCCC#C TS70989 [2,0,0,0,0,0|0,0,2]=4 515 B4R0.2 CCCC#N TS03176 [2,0,0,0,0,0|1,0,1]=4 516 B4R0.2 CCCC=O TS71609 [2,0,0,0,0,0|0,0,0]=2 517 B4R0.2 CCCCBr TS37077 [2,0,0,0,0,0|1,0,0]=3 518 B4R0.2 CCCCBr TS93069 [2,0,0,0,0,0|1,0,0]=3 519 B4R0.2 CCCCC TS71613 [2,0,0,0,0,0|0,0,0]=2 520 B4R0.2 CCCCCl TS39594 [2,0,0,0,0,0|1,0,0]=3 521 B4R0.2 CCCCF TS71643 [2,0,0,0,0,0|1,0,0]=3 522 B4R0.2 CCCCI TS48513 [2,0,0,0,0,0|1,0,0]=3 523 B4R0.2 CCCCN TS03383 [2,0,0,0,0,0|1,0,0]=3 524 B4R0.2 CCCCN TS04172 [2,0,0,0,0,0|1,0,0]=3 525 B4R0.2 CCCCO TS03407 [2,0,0,0,0,0|1,0,0]=3 526 B4R0.2 CCCCS TS71854 [2,0,0,0,0,0|1,0,0]=3 527 B4R0.2 CCCC[O-] TS31364 [2,0,0,0,0,0|1,0,0]=3 528 B4R0.2 CCCC[O-] TS64270 [2,0,0,0,0,0|1,0,0]=3 529 B4R0.2 CCCC[O-] TS66591 [2,0,0,0,0,0|1,0,0]=3 530 B4R0.2 CCCC[O-] TS67287 [2,0,0,0,0,0|1,0,0]=3 531 B4R0.2 CCCC[O-] TS82799 [2,0,0,0,0,0|1,0,0]=3 532 B4R0.2 CCCC[O-] TS83727 [2,0,0,0,0,0|1,0,0]=3 533 B4R0.2 CCCC[S-] TS31943 [2,0,0,0,0,0|1,0,0]=3 534 B4R0.2 CCCC[Si] TS71817 [2,0,0,0,0,0|0,1,0]=3 535 B4R0.2 CCCC[Zn+] TS19474 [2,0,0,0,0,0|1,0,0]=3 536 B4R0.2 CCCNC TS03381 [2,0,0,0,0,0|1,0,0]=3 537 B4R0.2 CCCOC TS03404 [2,0,0,0,0,0|1,0,0]=3 538 B4R0.2 CCCO[NH3+] TS04256 [2,0,0,0,0,0|2,0,0]=4 539 B4R0.2 CCCSC TS71857 [2,0,0,0,0,0|1,0,0]=3 540 B4R0.2 CCC[Mg]Br TS07380 [2,0,0,0,0,0|2,0,0]=4 541 B4R0.2 CCC[Mg]Cl TS31623 [2,0,0,0,0,0|2,0,0]=4 542 B4R0.2 CCC[Zn]Br TS50817 [2,0,0,0,0,0|2,0,0]=4 543 B4R0.2 CCN=C=O TS01458 [2,0,0,0,0,0|1,0,1]=4 544 B4R0.2 CCNC=O TS03379 [2,0,0,0,0,0|1,0,0]=3 545 B4R0.2 CCNCC TS03384 [2,0,0,0,0,0|1,0,0]=3 546 B4R0.2 CCNCC TS04169 [2,0,0,0,0,0|1,0,0]=3 547 B4R0.2 CCNCC TS05835 [2,0,0,0,0,0|1,0,0]=3 548 B4R0.2 CCNCC TS10368 [2,0,0,0,0,0|1,0,0]=3 549 B4R0.2 CCNCC TS12959 [2,0,0,0,0,0|1,0,0]=3 550 B4R0.2 CCOC=C TS71601 [2,0,0,0,0,0|2,0,0]=4 551 B4R0.2 CCOC=O TS03393 [2,0,0,0,0,0|1,0,0]=3 552 B4R0.2 CCOCC TS03401 [2,0,0,0,0,0|1,0,0]=3 553 B4R0.2 CCOCC TS42371 [2,0,0,0,0,0|1,0,0]=3 554 B4R0.2 CCOCC TS43884 [2,0,0,0,0,0|1,0,0]=3 555 B4R0.2 CCOCC TS68115 [2,0,0,0,0,0|1,0,0]=3 556 B4R0.2 CCOCC TS79120 [2,0,0,0,0,0|1,0,0]=3 557 B4R0.2 CCOCCl TS39832 [2,0,0,0,0,0|2,0,0]=4 558 B4R0.2 CCON=O TS71627 [2,0,0,0,0,0|2,0,0]=4 559 B4R0.2 CCPCC TS71830 [2,0,0,0,0,0|1,0,0]=3 560 B4R0.2 CCSC=C TS71813 [2,0,0,0,0,0|2,0,0]=4 561 B4R0.2 CCSCC TS71853 [2,0,0,0,0,0|1,0,0]=3 562 B4R0.2 CCSSC TS04155 [2,0,0,0,0,0|2,0,0]=4 563 B4R0.2 CC[Al+]CC TS32445 [2,0,0,0,0,0|1,0,0]=3 564 B4R0.2 CC[Al+]CC TS36486 [2,0,0,0,0,0|1,0,0]=3 565 B4R0.2 CC[Cd]CC TS45221 [2,0,0,0,0,0|1,0,0]=3 566 B4R0.2 CC[Ga+]CC TS42641 [2,0,0,0,0,0|1,0,0]=3 567 B4R0.2 CC[GeH2]CC TS36741 [2,0,0,0,0,0|0,1,0]=3 568 B4R0.2 CC[Hg]CC TS68206 [2,0,0,0,0,0|1,0,0]=3 569 B4R0.2 CC[Mg]CC TS71690 [2,0,0,0,0,0|1,0,0]=3 570 B4R0.2 CC[N-]CC TS71656 [2,0,0,0,0,0|1,0,0]=3 571 B4R0.2 CC[Se]CC TS37078 [2,0,0,0,0,0|1,0,0]=3 572 B4R0.2 CC[SiH2]CC TS71816 [2,0,0,0,0,0|0,1,0]=3 573 B4R0.2 CC[Te]CC TS15549 [2,0,0,0,0,0|1,0,0]=3 574 B4R0.2 CC[Zn]CC TS04983 [2,0,0,0,0,0|1,0,0]=3 575 B4R0.2 CNCCN TS03408 [2,0,0,0,0,0|2,0,0]=4 576 B4R0.2 CNCCO TS00099 [2,0,0,0,0,0|2,0,0]=4 577 B4R0.2 COCC=C TS94286 [2,0,0,0,0,0|2,0,0]=4 578 B4R0.2 COCC=O TS03388 [2,0,0,0,0,0|1,0,0]=3 579 B4R0.2 COCCBr TS65036 [2,0,0,0,0,0|2,0,0]=4 580 B4R0.2 COCCBr TS93982 [2,0,0,0,0,0|2,0,0]=4 581 B4R0.2 COCCCl TS03687 [2,0,0,0,0,0|2,0,0]=4 582 B4R0.2 COCCN TS71632 [2,0,0,0,0,0|2,0,0]=4 583 B4R0.2 COCCO TS71642 [2,0,0,0,0,0|2,0,0]=4 584 B4R0.2 COCC[O-] TS03754 [2,0,0,0,0,0|2,0,0]=4 585 B4R0.2 COCC[O-] TS44727 [2,0,0,0,0,0|2,0,0]=4 586 B4R0.2 COCC[O-] TS45853 [2,0,0,0,0,0|2,0,0]=4 587 B4R0.2 COCOC TS08721 [2,0,0,0,0,0|2,0,0]=4 588 B4R0.2 CSCC=C TS71811 [2,0,0,0,0,0|2,0,0]=4 589 B4R0.2 CSCCCl TS31867 [2,0,0,0,0,0|2,0,0]=4 590 B4R0.2 CSCCCl TS93571 [2,0,0,0,0,0|2,0,0]=4 591 B4R0.2 CSCCN TS03646 [2,0,0,0,0,0|2,0,0]=4 592 B4R0.2 CSCCO TS71862 [2,0,0,0,0,0|2,0,0]=4 593 B4R0.2 CSCSC TS04154 [2,0,0,0,0,0|2,0,0]=4 594 B4R0.2 [2H]OCCC TS65595 [2,0,0,0,0,0|2,0,0]=4 595 B4R0.2 [Li]CCCC TS39912 [2,0,0,0,0,0|1,0,0]=3 596 B6R0.1 C(CBr)C(CBr)Br TS35747 [1,1,0,0,0,0|2,0,0]=4 597 B6R0.1 C(CBr)C(CCl)Cl TS38906 [1,1,0,0,0,0|2,0,0]=4 598 B6R0.1 C(CCl)C(CCl)O TS06819 [1,1,0,0,0,0|1,0,1]=4 599 B6R0.1 C(CN)C(=O)CN TS13627 [1,1,0,0,0,0|1,0,1]=4 600 B6R0.1 C(CO)C(=O)CN TS37313 [1,1,0,0,0,0|1,0,1]=4 601 B6R0.1 C(CO)C(CO)O TS04081 [1,1,0,0,0,0|1,0,1]=4 602 B6R0.1 C(CO)C(CO)O TS94708 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.1 C(CO)[C@@H](CO)O TS94709 [1,1,0,0,0,0|1,0,1]=4 604 B6R0.1 C(CO)[C@H](CCl)O TS36026 [1,1,0,0,0,0|1,0,1]=4 605 B6R0.1 C(CO)[C@H](CO)O TS04082 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.1 C=CC(CCO)N TS31560 [1,1,0,0,0,0|2,0,0]=4 607 B6R0.1 CC(=CCCl)C=O TS04765 [1,1,0,0,0,0|0,0,2]=4 608 B6R0.1 CC(CC=C)C=C TS31383 [1,1,0,0,0,0|1,0,1]=4 609 B6R0.1 CC(CC=O)SC TS32354 [1,1,0,0,0,0|1,0,0]=3 610 B6R0.1 CC(CCO)C=C TS31514 [1,1,0,0,0,0|1,0,0]=3 611 B6R0.1 CC(CCO)OC TS04039 [1,1,0,0,0,0|1,0,1]=4 612 B6R0.1 CC(COC)OC TS94098 [1,1,0,0,0,0|1,0,1]=4 613 B6R0.1 CC=C(C)CCO TS03864 [1,1,0,0,0,0|1,0,1]=4 614 B6R0.1 CCC(=O)C=CC TS31436 [1,1,0,0,0,0|0,0,2]=4 615 B6R0.1 CCC(=O)CC#N TS31393 [1,1,0,0,0,0|0,0,2]=4 616 B6R0.1 CCC(=O)CSC TS32357 [1,1,0,0,0,0|0,0,1]=3 617 B6R0.1 CCC(=O)NCC TS03904 [1,1,0,0,0,0|0,0,1]=3 618 B6R0.1 CCC(=O)OCC TS03938 [1,1,0,0,0,0|0,0,1]=3 619 B6R0.1 CCC(=O)SCC TS32362 [1,1,0,0,0,0|0,0,1]=3 620 B6R0.1 CCC(C#CC)O TS31428 [1,1,0,0,0,0|0,0,2]=4 621 B6R0.1 CCC(C)C#CC TS03735 [1,1,0,0,0,0|0,0,2]=4 622 B6R0.1 CCC(C)C=CC TS03791 [1,1,0,0,0,0|1,0,0]=3 623 B6R0.1 CCC(C)CC#C TS03734 [1,1,0,0,0,0|0,0,2]=4 624 B6R0.1 CCC(C)CC=C TS03804 [1,1,0,0,0,0|1,0,0]=3 625 B6R0.1 CCC(C)CC=O TS31513 [1,1,0,0,0,0|0,0,0]=2 626 B6R0.1 CCC(C)CCBr TS42853 [1,1,0,0,0,0|0,0,1]=3 627 B6R0.1 CCC(C)CCO TS31615 [1,1,0,0,0,0|0,0,1]=3 628 B6R0.1 CCC(C)N=C=S TS04544 [1,1,0,0,0,0|0,1,1]=4 629 B6R0.1 CCC(C)ON=O TS31635 [1,1,0,0,0,0|1,0,0]=3 630 B6R0.1 CCC(C)SCC TS04755 [1,1,0,0,0,0|0,0,1]=3 631 B6R0.1 CCC(C=CC)O TS03868 [1,1,0,0,0,0|0,0,2]=4 632 B6R0.1 CCC(CC#C)O TS31435 [1,1,0,0,0,0|0,0,2]=4 633 B6R0.1 CCC(CC=C)O TS31532 [1,1,0,0,0,0|0,0,2]=4 634 B6R0.1 CCC(CCN)N TS03976 [1,1,0,0,0,0|1,0,0]=3 635 B6R0.1 CCC(COC)N TS04013 [1,1,0,0,0,0|1,0,0]=3 636 B6R0.1 CCC(COC)O TS04038 [1,1,0,0,0,0|0,0,1]=3 637 B6R0.1 CCC=C(C)C=O TS03779 [1,1,0,0,0,0|0,0,1]=3 638 B6R0.1 CCCC(=C)C=O TS31425 [1,1,0,0,0,0|0,0,2]=4 639 B6R0.1 CCCC(=C)CC TS03794 [1,1,0,0,0,0|0,0,1]=3 640 B6R0.1 CCCC(=CC)C TS31455 [1,1,0,0,0,0|1,0,1]=4 641 B6R0.1 CCCC(=O)CC TS31522 [1,1,0,0,0,0|0,0,1]=3 642 B6R0.1 CCCC(=O)OC TS03955 [1,1,0,0,0,0|1,0,1]=4 643 B6R0.1 CCCC(C)C#C TS31387 [1,1,0,0,0,0|1,0,1]=4 644 B6R0.1 CCCC(C)C=C TS03798 [1,1,0,0,0,0|1,0,0]=3 645 B6R0.1 CCCC(C)C=O TS01565 [1,1,0,0,0,0|0,0,0]=2 646 B6R0.1 CCCC(C)CBr TS42857 [1,1,0,0,0,0|1,0,1]=4 647 B6R0.1 CCCC(C)CC TS03886 [1,1,0,0,0,0|0,0,1]=3 648 B6R0.1 CCCC(C)CO TS39282 [1,1,0,0,0,0|0,0,2]=4 649 B6R0.1 CCCC(C)NC TS03920 [1,1,0,0,0,0|1,0,1]=4 650 B6R0.1 CCCC(C=C)O TS03859 [1,1,0,0,0,0|2,0,0]=4 651 B6R0.1 CCCC(CBr)Br TS52925 [1,1,0,0,0,0|2,0,0]=4 652 B6R0.1 CCCC(CC)Br TS42856 [1,1,0,0,0,0|1,0,0]=3 653 B6R0.1 CCCC(CC)Cl TS04841 [1,1,0,0,0,0|1,0,0]=3 654 B6R0.1 CCCC(CC)I TS44109 [1,1,0,0,0,0|1,0,0]=3 655 B6R0.1 CCCC(CC)N TS31564 [1,1,0,0,0,0|1,0,0]=3 656 B6R0.1 CCCC(CC)O TS31611 [1,1,0,0,0,0|0,0,1]=3 657 B6R0.1 CCCC(CC)S TS40939 [1,1,0,0,0,0|0,1,0]=3 658 B6R0.1 CCCC(CC)[Zn+] TS24971 [1,1,0,0,0,0|1,0,0]=3 659 B6R0.1 CCCC(CCl)Cl TS06553 [1,1,0,0,0,0|2,0,0]=4 660 B6R0.1 CCCC(CO)O TS04026 [1,1,0,0,0,0|1,0,1]=4 661 B6R0.1 CCCN(C)N=O TS31599 [1,1,0,0,0,0|2,0,0]=4 662 B6R0.1 CCC[C@@H](CO)N TS04002 [1,1,0,0,0,0|2,0,0]=4 663 B6R0.1 CCC[C@@H](CO)O TS04042 [1,1,0,0,0,0|1,0,1]=4 664 B6R0.1 CCC[C@H](CO)N TS04000 [1,1,0,0,0,0|2,0,0]=4 665 B6R0.1 CCNC(=O)CCl TS04876 [1,1,0,0,0,0|1,0,1]=4 666 B6R0.1 CCNC(=O)OC TS31636 [1,1,0,0,0,0|1,0,1]=4 667 B6R0.1 CCOC(=O)C=O TS56148 [1,1,0,0,0,0|1,0,1]=4 668 B6R0.1 CCOC(=O)CBr TS56141 [1,1,0,0,0,0|1,0,1]=4 669 B6R0.1 CCOC(=O)CCl TS39825 [1,1,0,0,0,0|1,0,1]=4 670 B6R0.1 CCOC(=O)CF TS65215 [1,1,0,0,0,0|1,0,1]=4 671 B6R0.1 CCOC(=O)CN TS31646 [1,1,0,0,0,0|1,0,1]=4 672 B6R0.1 CCOC(=O)CN TS33221 [1,1,0,0,0,0|1,0,1]=4 673 B6R0.1 CCOC(=O)CO TS56147 [1,1,0,0,0,0|1,0,1]=4 674 B6R0.1 CCOC(=O)CS TS01466 [1,1,0,0,0,0|1,0,1]=4 675 B6R0.1 CCOC(=O)NC TS31637 [1,1,0,0,0,0|1,0,1]=4 676 B6R0.1 CCOC(=O)OC TS31662 [1,1,0,0,0,0|1,0,1]=4 677 B6R0.1 CCOC(CBr)Br TS25152 [1,1,0,0,0,0|2,0,0]=4 678 B6R0.1 CCOC(CCl)Cl TS06818 [1,1,0,0,0,0|2,0,0]=4 679 B6R0.1 CC[C@H](C)CCBr TS42859 [1,1,0,0,0,0|0,0,1]=3 680 B6R0.1 CC[C@H](C)CCO TS31612 [1,1,0,0,0,0|0,0,1]=3 681 B6R0.1 CNCC(=O)OC TS01682 [1,1,0,0,0,0|1,0,1]=4 682 B6R0.1 CNCC(CO)O TS04078 [1,1,0,0,0,0|1,0,1]=4 683 B6R0.1 COC(=O)CCBr TS56269 [1,1,0,0,0,0|1,0,1]=4 684 B6R0.1 COC(=O)CCCl TS04939 [1,1,0,0,0,0|1,0,1]=4 685 B6R0.1 COC(=O)CCN TS08577 [1,1,0,0,0,0|1,0,1]=4 686 B6R0.1 COC(=O)CCO TS65233 [1,1,0,0,0,0|1,0,1]=4 687 B6R0.1 COC(=O)CCS TS04824 [1,1,0,0,0,0|1,0,1]=4 688 B6R0.1 COC(=O)CSC TS39398 [1,1,0,0,0,0|1,0,1]=4 689 B6R0.1 COCC(=O)OC TS39892 [1,1,0,0,0,0|1,0,1]=4 690 B6R0.1 COCC(CCl)O TS36028 [1,1,0,0,0,0|1,0,1]=4 691 B6R0.1 COCC(CF)O TS31763 [1,1,0,0,0,0|1,0,1]=4 692 B6R0.1 COCC(CO)O TS04080 [1,1,0,0,0,0|1,0,1]=4 693 B6R0.1 CSCC(CO)O TS32525 [1,1,0,0,0,0|1,0,1]=4 694 B6R0.1 C[C@@H](CCO)CO TS04034 [1,1,0,0,0,0|0,0,2]=4 695 B6R0.1 C[C@H](CCO)CO TS04033 [1,1,0,0,0,0|0,0,2]=4 696 B6R0.3 B(C(C)CC)(O)O TS85136 [1,1,0,0,0,0|1,0,1]=4 697 B6R0.3 C(C(C(=O)Cl)Br)Br TS62878 [1,1,0,0,0,0|2,0,0]=4 698 B6R0.3 C(C(C(=O)Cl)Cl)Cl TS11458 [1,1,0,0,0,0|2,0,0]=4 699 B6R0.3 C(C(C(=O)N)Br)Br TS24999 [1,1,0,0,0,0|2,0,0]=4 700 B6R0.3 C(C(C(=O)N)Cl)Cl TS06630 [1,1,0,0,0,0|2,0,0]=4 701 B6R0.3 C(C(C(=O)O)Br)Br TS47141 [1,1,0,0,0,0|2,0,0]=4 702 B6R0.3 C(C(C(=O)O)Cl)Cl TS06814 [1,1,0,0,0,0|2,0,0]=4 703 B6R0.3 C(C(C(=O)O)N)Cl TS04985 [1,1,0,0,0,0|2,0,0]=4 704 B6R0.3 C(C(C(=O)O)N)F TS31750 [1,1,0,0,0,0|2,0,0]=4 705 B6R0.3 C(C(C(=O)O)N)N TS15412 [1,1,0,0,0,0|2,0,0]=4 706 B6R0.3 C(C(C(=O)O)N)N TS55876 [1,1,0,0,0,0|2,0,0]=4 707 B6R0.3 C(C(C(=O)O)N)O TS04070 [1,1,0,0,0,0|2,0,0]=4 708 B6R0.3 C(C(C(=O)O)N)O TS93662 [1,1,0,0,0,0|2,0,0]=4 709 B6R0.3 C(C(C(=O)O)O)Cl TS36024 [1,1,0,0,0,0|2,0,0]=4 710 B6R0.3 C(C(C(=O)O)O)N TS55880 [1,1,0,0,0,0|2,0,0]=4 711 B6R0.3 C(C(C(=O)O)O)O TS31726 [1,1,0,0,0,0|2,0,0]=4 712 B6R0.3 C([C@@H](C(=O)N)N)O TS37447 [1,1,0,0,0,0|2,0,0]=4 713 B6R0.3 C([C@@H](C(=O)O)Br)O TS12635 [1,1,0,0,0,0|2,0,0]=4 714 B6R0.3 C([C@@H](C(=O)O)N)Cl TS04984 [1,1,0,0,0,0|2,0,0]=4 715 B6R0.3 C([C@@H](C(=O)O)N)Cl TS42100 [1,1,0,0,0,0|2,0,0]=4 716 B6R0.3 C([C@@H](C(=O)O)N)N TS01513 [1,1,0,0,0,0|2,0,0]=4 717 B6R0.3 C([C@@H](C(=O)O)N)O TS04071 [1,1,0,0,0,0|2,0,0]=4 718 B6R0.3 C([C@@H](C(=O)O)N)S TS85225 [1,1,0,0,0,0|2,0,0]=4 719 B6R0.3 C([C@@H](C(=O)O)O)Cl TS05066 [1,1,0,0,0,0|2,0,0]=4 720 B6R0.3 C([C@@H](C(=O)O)O)N TS04069 [1,1,0,0,0,0|2,0,0]=4 721 B6R0.3 C([C@H](C(=O)O)N)Cl TS42101 [1,1,0,0,0,0|2,0,0]=4 722 B6R0.3 C([C@H](C(=O)O)N)N TS01408 [1,1,0,0,0,0|2,0,0]=4 723 B6R0.3 C([C@H](C(=O)O)N)N TS04022 [1,1,0,0,0,0|2,0,0]=4 724 B6R0.3 C([C@H](C(=O)O)N)O TS07918 [1,1,0,0,0,0|2,0,0]=4 725 B6R0.3 C([C@H](C(=O)O)N)S TS32459 [1,1,0,0,0,0|2,0,0]=4 726 B6R0.3 C([C@H](C(=O)O)O)N TS04068 [1,1,0,0,0,0|2,0,0]=4 727 B6R0.3 CC(=O)N(C)OC TS56410 [1,1,0,0,0,0|2,0,0]=4 728 B6R0.3 CC(C(=O)C)SC TS32356 [1,1,0,0,0,0|1,0,0]=3 729 B6R0.3 CC(C(=O)O)NC TS31640 [1,1,0,0,0,0|1,0,0]=3 730 B6R0.3 CC(C(=O)OC)Br TS12330 [1,1,0,0,0,0|1,0,1]=4 731 B6R0.3 CC(C(=O)OC)Br TS93879 [1,1,0,0,0,0|1,0,1]=4 732 B6R0.3 CC(C(=O)OC)Cl TS04944 [1,1,0,0,0,0|1,0,1]=4 733 B6R0.3 CC(C(=O)OC)N TS55725 [1,1,0,0,0,0|1,0,1]=4 734 B6R0.3 CC(C(=O)OC)O TS31661 [1,1,0,0,0,0|1,0,1]=4 735 B6R0.3 CC(C(CBr)Br)Br TS35748 [1,1,0,0,0,0|2,0,0]=4 736 B6R0.3 CC(C(CO)O)O TS04083 [1,1,0,0,0,0|1,0,1]=4 737 B6R0.3 CC(C)C(=O)CBr TS00029 [1,1,0,0,0,0|1,0,1]=4 738 B6R0.3 CC(C)C(=O)OC TS03944 [1,1,0,0,0,0|1,0,1]=4 739 B6R0.3 CC(C)C(C)C=C TS03806 [1,1,0,0,0,0|1,0,0]=3 740 B6R0.3 CC(C)C(C=C)O TS31528 [1,1,0,0,0,0|2,0,0]=4 741 B6R0.3 CC(C)C(CBr)Br TS52924 [1,1,0,0,0,0|2,0,0]=4 742 B6R0.3 CC(C)C(CO)S TS32435 [1,1,0,0,0,0|1,1,0]=4 743 B6R0.3 CC(C)[C@@H](CO)N TS56215 [1,1,0,0,0,0|2,0,0]=4 744 B6R0.3 CC(C)[C@H](CO)N TS08466 [1,1,0,0,0,0|2,0,0]=4 745 B6R0.3 CC(C=C)C(=C)C TS03723 [1,1,0,0,0,0|1,0,1]=4 746 B6R0.3 CC(C=C)C(=O)O TS03843 [1,1,0,0,0,0|0,0,2]=4 747 B6R0.3 CC(CN)C(=O)O TS04859 [1,1,0,0,0,0|1,0,0]=3 748 B6R0.3 CC(CN)C(=O)O TS31641 [1,1,0,0,0,0|1,0,0]=3 749 B6R0.3 CC(CO)C(=O)C TS03953 [1,1,0,0,0,0|1,0,0]=3 750 B6R0.3 CC(CO)[N+](=O)[O-] TS04065 [1,1,0,0,0,0|2,0,0]=4 751 B6R0.3 CC(CS)C(=O)O TS04823 [1,1,0,0,0,0|1,0,0]=3 752 B6R0.3 CC=C(C)C(=O)C TS31447 [1,1,0,0,0,0|0,0,2]=4 753 B6R0.3 CC=C(C)C(=O)Cl TS04767 [1,1,0,0,0,0|0,0,2]=4 754 B6R0.3 CC=C(C)C(=O)O TS03838 [1,1,0,0,0,0|0,0,2]=4 755 B6R0.3 CC=C(C)C(=O)O TS03840 [1,1,0,0,0,0|0,0,2]=4 756 B6R0.3 CC=C(C)C(C)C TS03807 [1,1,0,0,0,0|1,0,1]=4 757 B6R0.3 CC=C(C)C(C)C TS31450 [1,1,0,0,0,0|1,0,1]=4 758 B6R0.3 CCC(=C)C(C)C TS03792 [1,1,0,0,0,0|0,0,1]=3 759 B6R0.3 CCC(=O)C(=O)C TS03844 [1,1,0,0,0,0|0,0,2]=4 760 B6R0.3 CCC(=O)C(=O)O TS31578 [1,1,0,0,0,0|1,0,1]=4 761 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [1,1,0,0,0,0|1,0,1]=4 762 B6R0.3 CCC(=O)C(C)C TS31520 [1,1,0,0,0,0|0,0,1]=3 763 B6R0.3 CCC(=O)N(C)C TS31553 [1,1,0,0,0,0|1,0,1]=4 764 B6R0.3 CCC(C(=C)C)O TS31517 [1,1,0,0,0,0|0,0,2]=4 765 B6R0.3 CCC(C(=O)Br)Br TS52915 [1,1,0,0,0,0|1,0,0]=3 766 B6R0.3 CCC(C(=O)C)S TS32355 [1,1,0,0,0,0|1,0,0]=3 767 B6R0.3 CCC(C(=O)Cl)Br TS48787 [1,1,0,0,0,0|1,0,0]=3 768 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [1,1,0,0,0,0|1,0,0]=3 769 B6R0.3 CCC(C(=O)N)Cl TS04875 [1,1,0,0,0,0|1,0,0]=3 770 B6R0.3 CCC(C(=O)N)N TS93870 [1,1,0,0,0,0|1,0,0]=3 771 B6R0.3 CCC(C(=O)N)N TS94086 [1,1,0,0,0,0|1,0,0]=3 772 B6R0.3 CCC(C(=O)O)Br TS12329 [1,1,0,0,0,0|1,0,0]=3 773 B6R0.3 CCC(C(=O)O)Cl TS04940 [1,1,0,0,0,0|1,0,0]=3 774 B6R0.3 CCC(C(=O)O)N TS45781 [1,1,0,0,0,0|1,0,0]=3 775 B6R0.3 CCC(C(=O)O)N TS47470 [1,1,0,0,0,0|1,0,0]=3 776 B6R0.3 CCC(C(=O)O)O TS31670 [1,1,0,0,0,0|1,0,0]=3 777 B6R0.3 CCC(C(=O)[O-])O TS05131 [1,1,0,0,0,0|1,0,0]=3 778 B6R0.3 CCC(C(C)Br)Br TS52927 [1,1,0,0,0,0|1,0,0]=3 779 B6R0.3 CCC(C(C)C)O TS03969 [1,1,0,0,0,0|0,0,1]=3 780 B6R0.3 CCC(C(C)Cl)Cl TS06555 [1,1,0,0,0,0|1,0,0]=3 781 B6R0.3 CCC(C)C(=O)C TS31518 [1,1,0,0,0,0|0,0,0]=2 782 B6R0.3 CCC(C)C(=O)Cl TS04836 [1,1,0,0,0,0|0,0,0]=2 783 B6R0.3 CCC(C)C(=O)O TS03945 [1,1,0,0,0,0|0,0,0]=2 784 B6R0.3 CCC(C)C(C)C TS03882 [1,1,0,0,0,0|0,0,1]=3 785 B6R0.3 CCC(C)C(C)O TS03961 [1,1,0,0,0,0|0,0,1]=3 786 B6R0.3 CCC(C)N(C)C TS03924 [1,1,0,0,0,0|1,0,1]=4 787 B6R0.3 CCC([N+](=O)[O-])Cl TS04986 [1,1,0,0,0,0|2,0,0]=4 788 B6R0.3 CCN(C)C(=O)Cl TS56394 [1,1,0,0,0,0|1,0,0]=3 789 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [1,1,0,0,0,0|1,0,0]=3 790 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [1,1,0,0,0,0|1,0,0]=3 791 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [1,1,0,0,0,0|1,0,0]=3 792 B6R0.3 CC[C@H](C(=O)N)N TS93011 [1,1,0,0,0,0|1,0,0]=3 793 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [1,1,0,0,0,0|1,0,0]=3 794 B6R0.3 CC[C@H](C(=O)O)N TS64880 [1,1,0,0,0,0|1,0,0]=3 795 B6R0.3 C[C@@H](C(=O)O)NC TS31642 [1,1,0,0,0,0|1,0,0]=3 796 B6R0.3 C[C@@H](C(=O)O)NC TS37312 [1,1,0,0,0,0|1,0,0]=3 797 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [1,1,0,0,0,0|1,0,0]=3 798 B6R0.3 C[C@@H](C(=O)OC)N TS37314 [1,1,0,0,0,0|1,0,1]=4 799 B6R0.3 C[C@@H](C(=O)OC)O TS39673 [1,1,0,0,0,0|1,0,1]=4 800 B6R0.3 C[C@@H](CO)C(=O)O TS04019 [1,1,0,0,0,0|1,0,0]=3 801 B6R0.3 C[C@@H]([C@H](CO)N)O TS33038 [1,1,0,0,0,0|2,0,0]=4 802 B6R0.3 C[C@H](C(=O)N)OC TS31644 [1,1,0,0,0,0|1,0,0]=3 803 B6R0.3 C[C@H](C(=O)OC)F TS31728 [1,1,0,0,0,0|1,0,1]=4 804 B6R0.3 C[C@H](C(=O)OC)N TS01765 [1,1,0,0,0,0|1,0,1]=4 805 B6R0.3 C[C@H](C(=O)OC)O TS04018 [1,1,0,0,0,0|1,0,1]=4 806 B6R0.3 C[C@H](CCl)C(=O)Cl TS06547 [1,1,0,0,0,0|1,0,0]=3 807 B6R0.3 C[C@H](CO)C(=O)O TS31672 [1,1,0,0,0,0|1,0,0]=3 808 B6R0.3 C[C@H]([C@@H](CO)N)O TS07680 [1,1,0,0,0,0|2,0,0]=4 809 B6R0.8 CC(C)(CO)C=O TS56179 [1,1,0,0,0,0|1,0,0]=3 810 B6R0.8 CCC(C)(C#C)N TS05851 [1,1,0,0,0,0|1,0,1]=4 811 B6R0.8 CCC(C)(C#C)O TS31445 [1,1,0,0,0,0|1,0,1]=4 812 B6R0.8 CCC(C)(C)C=C TS31454 [1,1,0,0,0,0|1,0,0]=3 813 B6R0.8 CCC(C)(C)CC TS03879 [1,1,0,0,0,0|0,0,1]=3 814 B6R0.8 CCC(C)(C)CO TS31614 [1,1,0,0,0,0|0,0,2]=4 815 B6R0.8 CCC(C)(C)[Mg]Cl TS36577 [1,1,0,0,0,0|2,0,0]=4 816 B6R0.8 CCC(C)(C=C)O TS31507 [1,1,0,0,0,0|1,0,0]=3 817 B6R0.8 CCC(C)(CC)Br TS60333 [1,1,0,0,0,0|0,0,1]=3 818 B6R0.8 CCC(C)(CC)O TS03968 [1,1,0,0,0,0|0,0,1]=3 819 B6R0.8 CCP(=O)(CC)Cl TS37444 [1,1,0,0,0,0|1,0,0]=3 820 B6R0.8 CCS(=O)(=O)CC TS32523 [1,1,0,0,0,0|1,0,0]=3 821 B6R0.8 CC[Ge](CC)(Cl)Cl TS38163 [1,1,0,0,0,0|1,1,0]=4 822 B6R0.8 CC[N+](C)(C)CC TS04796 [1,1,0,0,0,0|1,0,1]=4 823 B6R0.8 CC[Si](CC)(Cl)Cl TS10828 [1,1,0,0,0,0|1,1,0]=4 824 B6R0.8 CC[Sn](CC)(Cl)Cl TS27673 [1,1,0,0,0,0|2,0,0]=4 825 B8R0.11 CCCC=C(CC)C=O TS05180 [0,2,0,0,0,0|0,0,1]=3 826 B8R0.11 CCCCC(CC)C#N TS05110 [0,2,0,0,0,0|1,0,1]=4 827 B8R0.11 CCCCC(CC)C=O TS36324 [0,2,0,0,0,0|0,0,0]=2 828 B8R0.11 CCCCC(CC)CBr TS51605 [0,2,0,0,0,0|1,0,1]=4 829 B8R0.11 CCCCC(CC)CBr TS93468 [0,2,0,0,0,0|1,0,1]=4 830 B8R0.11 CCCCC(CC)CC TS05421 [0,2,0,0,0,0|1,0,1]=4 831 B8R0.11 CCCCC(CC)CCl TS07519 [0,2,0,0,0,0|1,0,1]=4 832 B8R0.11 CCCCC(CC)CI TS26462 [0,2,0,0,0,0|1,0,1]=4 833 B8R0.11 CCCCC(CC)CN TS05498 [0,2,0,0,0,0|1,0,1]=4 834 B8R0.11 CCCCC(CC)CN TS12119 [0,2,0,0,0,0|1,0,1]=4 835 B8R0.11 CCCCC(CC)CN TS43752 [0,2,0,0,0,0|1,0,1]=4 836 B8R0.11 CCCCC(CC)CO TS36533 [0,2,0,0,0,0|0,0,2]=4 837 B8R0.11 CCCCC(CC)CS TS40474 [0,2,0,0,0,0|0,1,1]=4 838 B8R0.11 CCCCC(CC)C[O-] TS06071 [0,2,0,0,0,0|0,0,2]=4 839 B8R0.11 CCCCN(CC)N=O TS05572 [0,2,0,0,0,0|2,0,0]=4 840 B8R0.11 COC(C=CC=O)OC TS05515 [0,2,0,0,0,0|2,0,0]=4 841 B8R0.11 [Li]CC(CC)CCCC TS04820 [0,2,0,0,0,0|1,0,1]=4 842 B8R0.15 CCC(C(=O)O)NC=O TS05645 [0,2,0,0,0,0|1,0,1]=4 843 B8R0.15 CCC[C@@H](C(=O)O)NC TS36587 [0,2,0,0,0,0|1,0,0]=3 844 B8R0.15 CCC[C@@H](CO)C(=O)O TS36660 [0,2,0,0,0,0|1,0,0]=3 845 B8R0.16 CCN(CC)CC(=O)C TS36425 [0,2,0,0,0,0|1,0,0]=3 846 B8R0.20 CCC(=O)N(CC)CC TS36430 [0,2,0,0,0,0|1,0,0]=3 847 B8R0.20 CCC(C(=O)OC)SC TS07492 [0,2,0,0,0,0|1,0,0]=3 848 B8R0.20 CCC(CC)C(CC)O TS36553 [0,2,0,0,0,0|0,0,2]=4 849 B8R0.20 CCN(CC)C(=O)C=C TS05285 [0,2,0,0,0,0|1,0,0]=3 850 B8R0.20 CCN(CC)C(=O)CCl TS40799 [0,2,0,0,0,0|1,0,0]=3 851 B8R0.20 CCN(CC)C(=O)CN TS43165 [0,2,0,0,0,0|1,0,0]=3 852 B8R0.20 CCN(CC)C(=O)CO TS36596 [0,2,0,0,0,0|1,0,0]=3 853 B8R0.20 CCN(CC)C(=O)SC TS40577 [0,2,0,0,0,0|1,0,0]=3 854 B8R0.20 CCN(CC)C(=S)SC TS42642 [0,2,0,0,0,0|1,1,0]=4 855 B8R0.20 CCN(CC)N(N=O)O TS39073 [0,2,0,0,0,0|2,0,0]=4 856 B8R0.20 COC(=O)C(CBr)CBr TS02304 [0,2,0,0,0,0|2,0,0]=4 857 B8R0.20 COC(C(=O)OC)OC TS05874 [0,2,0,0,0,0|2,0,0]=4 858 B8R0.22 C(CO)N(CCO)N=O TS36802 [0,2,0,0,0,0|2,0,0]=4 859 B8R0.22 CCC(OCC)OCC TS36694 [0,2,0,0,0,0|1,0,1]=4 860 B8R0.22 CCCC(CC)CCC TS05410 [0,2,0,0,0,0|1,0,1]=4 861 B8R0.22 CCCC(CC=O)SC TS40466 [0,2,0,0,0,0|1,0,0]=3 862 B8R0.22 CCCC(CCC)C#N TS05118 [0,2,0,0,0,0|1,0,1]=4 863 B8R0.22 CCCC(CCC)C=O TS36347 [0,2,0,0,0,0|0,0,0]=2 864 B8R0.22 CCCC(CCO)SC TS40691 [0,2,0,0,0,0|2,0,0]=4 865 B8R0.22 CCCN(CCC)C=O TS36421 [0,2,0,0,0,0|1,0,0]=3 866 B8R0.22 CCCN(CCC)N=O TS36520 [0,2,0,0,0,0|2,0,0]=4 867 B8R0.22 CCOC(C#C)OCC TS05338 [0,2,0,0,0,0|1,0,1]=4 868 B8R0.22 CCOC(C#N)OCC TS36405 [0,2,0,0,0,0|1,0,1]=4 869 B8R0.22 CCOC(C=C)OCC TS05552 [0,2,0,0,0,0|1,0,0]=3 870 B8R0.22 CCOC(CBr)OCC TS00843 [0,2,0,0,0,0|1,0,1]=4 871 B8R0.22 CCOC(CCl)OCC TS41218 [0,2,0,0,0,0|1,0,1]=4 872 B8R0.22 CCOC(CN)OCC TS34626 [0,2,0,0,0,0|1,0,1]=4 873 B8R0.22 CCOC(CO)OCC TS36827 [0,2,0,0,0,0|0,0,2]=4 874 B8R0.22 COC(CSC)CSC TS43150 [0,2,0,0,0,0|2,0,0]=4 875 B8R0.31 CCC(CC)(CC=C)O TS36337 [0,2,0,0,0,0|1,0,0]=3 876 B8R0.31 CCC(CC)(CCO)O TS05762 [0,2,0,0,0,0|0,0,2]=4 877 B8R0.31 CCCC(CC)(CC)Cl TS07518 [0,2,0,0,0,0|1,0,1]=4 878 B8R0.31 CCCC(CC)(CC)O TS36555 [0,2,0,0,0,0|1,0,1]=4 879 B8R0.18 CC(C)C(C(=O)O)NC TS43283 [0,2,0,0,0,0|1,0,0]=3 880 B8R0.18 CC(C)N(C(C)C)N=O TS36524 [0,2,0,0,0,0|2,0,0]=4 881 B8R0.18 CC(C)N(C=O)C(C)C TS36431 [0,2,0,0,0,0|1,0,0]=3 882 B8R0.18 CC(C)[C@@H](C(=O)[O-])N=O TS06219 [0,2,0,0,0,0|2,0,0]=4 883 B8R0.18 CCC(C(=O)C)C(=O)C TS36296 [0,2,0,0,0,0|0,0,1]=3 884 B8R0.18 CCC(C(=O)Cl)C(=O)Cl TS01465 [0,2,0,0,0,0|1,0,1]=4 885 B8R0.18 CCC(C(=O)O)C(=O)O TS01464 [0,2,0,0,0,0|1,0,1]=4 886 B8R0.18 CCC(C(C)C)C(C)C TS05411 [0,2,0,0,0,0|1,0,1]=4 887 B8R0.18 CCC(C(C)O)[N+](=O)[O-] TS05814 [0,2,0,0,0,0|1,0,0]=3 888 B8R0.18 C[C@H]([C@@H](C(=O)O)NC)O TS36744 [0,2,0,0,0,0|1,0,0]=3 889 B8R0.26 CCN(C(C)(C)C)N=O TS36526 [0,2,0,0,0,0|2,0,0]=4 890 B8R0.26 CCN(CC)P(=O)(Cl)Cl TS51003 [0,2,0,0,0,0|2,0,0]=4 891 B8R0.36 CC(CCl)(CCl)C(=O)O TS12953 [0,2,0,0,0,0|2,0,0]=4 892 B8R0.36 CC(CO)(CO)C(=O)O TS05873 [0,2,0,0,0,0|2,0,0]=4 893 B8R0.36 CCC(C)(CC)C(=O)C TS05387 [0,2,0,0,0,0|0,0,0]=2 894 B8R0.36 CCC(C)(CC)C(=O)O TS05564 [0,2,0,0,0,0|0,0,0]=2 895 B8R0.36 CCC(CC)(C(=O)O)Br TS51944 [0,2,0,0,0,0|0,0,0]=2 896 B8R0.36 CCC(CC)(C(=O)O)N TS36598 [0,2,0,0,0,0|0,0,0]=2 897 B8R0.36 CCC(CC)(C(=O)O)O TS05709 [0,2,0,0,0,0|0,0,0]=2 898 B8R0.36 CCC(CC)(C(C)C)O TS36541 [0,2,0,0,0,0|1,0,1]=4 899 B8R0.10 CCC(CC)(CBr)CBr TS68069 [0,2,0,0,0,0|1,0,1]=4 900 B8R0.10 CCC(CC)(CO)CO TS05757 [0,2,0,0,0,0|0,0,2]=4 901 B8R0.10 CC[Ge](CC)(CC)C=C TS15748 [0,2,0,0,0,0|1,1,0]=4 902 B6R1.2 C1CC(=O)NC1 TS39938 [1,0,0,1,0,0|1,0,1]=4 903 B6R1.2 C1CC(=O)NC1 TS63365 [1,0,0,1,0,0|1,0,1]=4 904 B6R1.2 C1CC(=O)SC1 TS31607 [1,0,0,1,0,0|1,0,1]=4 905 B6R1.2 C1CC(C=C1)Cl TS31621 [1,0,0,1,0,0|2,0,0]=4 906 B6R1.2 C1CC(OC1)N TS03559 [1,0,0,1,0,0|2,0,0]=4 907 B6R1.2 C1CCC(=O)C1 TS03493 [1,0,0,1,0,0|0,0,1]=3 908 B6R1.2 C1CCC(C1)Br TS55827 [1,0,0,1,0,0|1,0,0]=3 909 B6R1.2 C1CCC(C1)Br TS68904 [1,0,0,1,0,0|1,0,0]=3 910 B6R1.2 C1CCC(C1)Cl TS04055 [1,0,0,1,0,0|1,0,0]=3 911 B6R1.2 C1CCC(C1)I TS18162 [1,0,0,1,0,0|1,0,0]=3 912 B6R1.2 C1CCC(C1)N TS34563 [1,0,0,1,0,0|1,0,0]=3 913 B6R1.2 C1CCC(C1)O TS71762 [1,0,0,1,0,0|0,0,1]=3 914 B6R1.2 C1CCC(C1)S TS03980 [1,0,0,1,0,0|0,1,0]=3 915 B6R1.2 C1CCC(C1)[SiH3] TS03890 [1,0,0,1,0,0|0,1,0]=3 916 B6R1.2 C1CCC(C1)[Zn+] TS44590 [1,0,0,1,0,0|1,0,0]=3 917 B6R1.2 C1CCN(C1)N TS03537 [1,0,0,1,0,0|2,0,0]=4 918 B6R1.2 C1CCN(C1)N TS32538 [1,0,0,1,0,0|2,0,0]=4 919 B6R1.2 C1CCS(=O)C1 TS31677 [1,0,0,1,0,0|1,0,0]=3 920 B6R1.2 C1CNCC1=O TS88446 [1,0,0,1,0,0|1,0,1]=4 921 B6R1.2 C1CNCC1F TS36083 [1,0,0,1,0,0|2,0,0]=4 922 B6R1.2 C1CNCC1F TS46663 [1,0,0,1,0,0|2,0,0]=4 923 B6R1.2 C1CNCC1N TS32537 [1,0,0,1,0,0|2,0,0]=4 924 B6R1.2 C1CNCC1O TS02802 [1,0,0,1,0,0|1,0,1]=4 925 B6R1.2 C1CNC[C@@H]1F TS00303 [1,0,0,1,0,0|2,0,0]=4 926 B6R1.2 C1CNC[C@@H]1F TS03597 [1,0,0,1,0,0|2,0,0]=4 927 B6R1.2 C1CNC[C@@H]1N TS03541 [1,0,0,1,0,0|2,0,0]=4 928 B6R1.2 C1CNC[C@@H]1N TS42016 [1,0,0,1,0,0|2,0,0]=4 929 B6R1.2 C1CNC[C@@H]1O TS87275 [1,0,0,1,0,0|1,0,1]=4 930 B6R1.2 C1CNC[C@@H]1O TS87623 [1,0,0,1,0,0|1,0,1]=4 931 B6R1.2 C1CNC[C@H]1F TS08083 [1,0,0,1,0,0|2,0,0]=4 932 B6R1.2 C1CNC[C@H]1F TS88030 [1,0,0,1,0,0|2,0,0]=4 933 B6R1.2 C1CNC[C@H]1N TS39939 [1,0,0,1,0,0|2,0,0]=4 934 B6R1.2 C1CNC[C@H]1N TS42017 [1,0,0,1,0,0|2,0,0]=4 935 B6R1.2 C1CNC[C@H]1O TS46618 [1,0,0,1,0,0|1,0,1]=4 936 B6R1.2 C1CNC[C@H]1O TS46665 [1,0,0,1,0,0|1,0,1]=4 937 B6R1.2 C1CNC[C@H]1O TS91049 [1,0,0,1,0,0|1,0,1]=4 938 B6R1.2 C1CNC[C@H]1O TS94423 [1,0,0,1,0,0|1,0,1]=4 939 B6R1.2 C1COCC1=O TS01440 [1,0,0,1,0,0|1,0,1]=4 940 B6R1.2 C1COCC1Br TS88092 [1,0,0,1,0,0|2,0,0]=4 941 B6R1.2 C1COCC1Cl TS31737 [1,0,0,1,0,0|2,0,0]=4 942 B6R1.2 C1COCC1I TS86694 [1,0,0,1,0,0|2,0,0]=4 943 B6R1.2 C1COCC1N TS89945 [1,0,0,1,0,0|2,0,0]=4 944 B6R1.2 C1COCC1O TS06712 [1,0,0,1,0,0|1,0,1]=4 945 B6R1.2 C1COCC1O TS59434 [1,0,0,1,0,0|1,0,1]=4 946 B6R1.2 C1COCC1O TS89114 [1,0,0,1,0,0|1,0,1]=4 947 B6R1.2 C1COC[C@@H]1I TS91739 [1,0,0,1,0,0|2,0,0]=4 948 B6R1.2 C1COC[C@@H]1N TS04989 [1,0,0,1,0,0|2,0,0]=4 949 B6R1.2 C1COC[C@@H]1N TS85171 [1,0,0,1,0,0|2,0,0]=4 950 B6R1.2 C1COC[C@@H]1O TS01967 [1,0,0,1,0,0|1,0,1]=4 951 B6R1.2 C1COC[C@H]1I TS88696 [1,0,0,1,0,0|2,0,0]=4 952 B6R1.2 C1COC[C@H]1N TS46680 [1,0,0,1,0,0|2,0,0]=4 953 B6R1.2 C1COC[C@H]1O TS59862 [1,0,0,1,0,0|1,0,1]=4 954 B6R1.2 C1CSCC1=O TS81072 [1,0,0,1,0,0|1,0,1]=4 955 B6R1.2 C1CSCC1Cl TS32541 [1,0,0,1,0,0|2,0,0]=4 956 B6R1.2 C1CSCC1N TS04016 [1,0,0,1,0,0|2,0,0]=4 957 B6R1.2 C1CSCC1O TS31682 [1,0,0,1,0,0|1,0,1]=4 958 B6R1.2 CC1=CCCC1 TS71683 [1,0,0,1,0,0|1,0,1]=4 959 B6R1.2 CC1CCCC1 TS22155 [1,0,0,1,0,0|0,0,1]=3 960 B6R1.2 CC1CCCC1 TS22325 [1,0,0,1,0,0|0,0,1]=3 961 B6R1.2 CC1CCCC1 TS31194 [1,0,0,1,0,0|0,0,1]=3 962 B6R1.2 CC1CCCC1 TS69413 [1,0,0,1,0,0|0,0,1]=3 963 B6R1.2 CC1CCCC1 TS77214 [1,0,0,1,0,0|0,0,1]=3 964 B6R1.2 CC1CCCC1 TS77590 [1,0,0,1,0,0|0,0,1]=3 965 B6R1.2 CC1CCCN1 TS03512 [1,0,0,1,0,0|1,0,1]=4 966 B6R1.2 CC1CCCO1 TS71748 [1,0,0,1,0,0|1,0,1]=4 967 B6R1.2 CC1CCCS1 TS03982 [1,0,0,1,0,0|1,0,1]=4 968 B6R1.2 CC1CCNC1 TS04878 [1,0,0,1,0,0|1,0,1]=4 969 B6R1.2 CC1CCOC1 TS71755 [1,0,0,1,0,0|0,0,2]=4 970 B6R1.2 CC1CCSC1 TS03984 [1,0,0,1,0,0|0,1,1]=4 971 B6R1.2 CN1CCCC1 TS85196 [1,0,0,1,0,0|1,0,1]=4 972 B6R1.2 C[C@@H]1CCNC1 TS46531 [1,0,0,1,0,0|1,0,1]=4 973 B6R1.2 C[C@H]1CCCN1 TS08127 [1,0,0,1,0,0|1,0,1]=4 974 B6R1.2 C[C@H]1CCCN1 TS59864 [1,0,0,1,0,0|1,0,1]=4 975 B6R1.2 C[C@H]1CCNC1 TS04879 [1,0,0,1,0,0|1,0,1]=4 976 B6R1.4 CC1C(CN1)O TS92907 [1,0,0,1,0,0|1,0,1]=4 977 B6R1.6 C1CC(C1)C#N TS03443 [1,0,0,1,0,0|1,0,1]=4 978 B6R1.6 C1CC(C1)C=O TS03489 [1,0,0,1,0,0|0,0,0]=2 979 B6R1.6 C1CC(C1)CBr TS07532 [1,0,0,1,0,0|1,0,1]=4 980 B6R1.6 C1CC(C1)CN TS89840 [1,0,0,1,0,0|1,0,1]=4 981 B6R1.6 C1CC(C1)CO TS71752 [1,0,0,1,0,0|0,0,2]=4 982 B6R1.6 C1CC(C1)NN TS01400 [1,0,0,1,0,0|2,0,0]=4 983 B6R1.6 C1CC(C1)NN TS03544 [1,0,0,1,0,0|2,0,0]=4 984 B6R1.6 C1CNC1CN TS01756 [1,0,0,1,0,0|2,0,0]=4 985 B6R1.6 C1CNC1CO TS88277 [1,0,0,1,0,0|2,0,0]=4 986 B6R1.6 C1CN[C@H]1CO TS86313 [1,0,0,1,0,0|2,0,0]=4 987 B6R1.6 C1COC1CBr TS40968 [1,0,0,1,0,0|1,0,1]=4 988 B6R1.6 C1COC1CI TS91254 [1,0,0,1,0,0|1,0,1]=4 989 B6R1.6 C1COC1CN TS86216 [1,0,0,1,0,0|1,0,1]=4 990 B6R1.6 C1COC1CO TS88229 [1,0,0,1,0,0|1,0,1]=4 991 B6R1.6 CCC1CCC1 TS71715 [1,0,0,1,0,0|0,0,1]=3 992 B6R1.7 C1CC1(CN)O TS71768 [1,0,0,1,0,0|1,0,1]=4 993 B6R1.7 C1CC1(CO)N TS46848 [1,0,0,1,0,0|2,0,0]=4 994 B6R1.7 CC1(CC1)CO TS71759 [1,0,0,1,0,0|0,0,2]=4 995 B6R1.7 CCC1(CO1)C TS71765 [1,0,0,1,0,0|0,0,2]=4 996 B6R1.8 C=C1CC1CO TS03490 [1,0,0,1,0,0|2,0,0]=4 997 B6R1.8 CC1CC1CO TS71767 [1,0,0,1,0,0|0,0,2]=4 998 B6R1.8 CC[C@@H]1C[C@@H]1C TS71712 [1,0,0,1,0,0|0,0,1]=3 999 B8R1.1 C1C(CNC1=O)CN TS85675 [0,1,0,1,0,0|2,0,0]=4 1000 B8R1.1 C1C(CNC1=O)CO TS89668 [0,1,0,1,0,0|2,0,0]=4 1001 B8R1.1 C1C(OC(=O)N1)CCl TS06020 [0,1,0,1,0,0|2,0,0]=4 1002 B8R1.1 C1C(OC(=O)O1)CO TS04697 [0,1,0,1,0,0|2,0,0]=4 1003 B8R1.1 C1CC(=O)NC1CN TS32080 [0,1,0,1,0,0|1,0,0]=3 1004 B8R1.1 C1CC(=O)N[C@@H]1CBr TS46367 [0,1,0,1,0,0|1,0,0]=3 1005 B8R1.1 C1CC(=O)N[C@@H]1CN TS32077 [0,1,0,1,0,0|1,0,0]=3 1006 B8R1.1 C1CC(=O)N[C@@H]1CO TS00316 [0,1,0,1,0,0|1,0,0]=3 1007 B8R1.1 C1CC(=O)N[C@H]1CBr TS46368 [0,1,0,1,0,0|1,0,0]=3 1008 B8R1.1 C1CC(=O)N[C@H]1CN TS32073 [0,1,0,1,0,0|1,0,0]=3 1009 B8R1.1 C1CC(=O)O[C@@H]1CO TS00317 [0,1,0,1,0,0|1,0,0]=3 1010 B8R1.1 C1CC(=O)O[C@H]1CO TS39983 [0,1,0,1,0,0|1,0,0]=3 1011 B8R1.1 C1[C@@H](C=C[C@@H]1N)CO TS32012 [0,1,0,1,0,0|2,0,0]=4 1012 B8R1.1 C1[C@@H](CNC1=O)CN TS92937 [0,1,0,1,0,0|2,0,0]=4 1013 B8R1.1 C1[C@H](CNC1=O)CN TS92288 [0,1,0,1,0,0|2,0,0]=4 1014 B8R1.1 CCC1CCC(=O)C1 TS31941 [0,1,0,1,0,0|0,0,0]=2 1015 B8R1.1 CCC1CCC(=O)O1 TS04438 [0,1,0,1,0,0|0,0,0]=2 1016 B8R1.1 CN1CCC(C1)CN TS88845 [0,1,0,1,0,0|1,0,1]=4 1017 B8R1.1 CN1CCC(C1)CO TS32163 [0,1,0,1,0,0|0,0,2]=4 1018 B8R1.1 CN1CC[C@@H](C1)CN TS91907 [0,1,0,1,0,0|1,0,1]=4 1019 B8R1.1 CN1CC[C@@H](C1)CO TS91738 [0,1,0,1,0,0|0,0,2]=4 1020 B8R1.1 CN1CC[C@H](C1)CN TS92039 [0,1,0,1,0,0|1,0,1]=4 1021 B8R1.1 CN1CC[C@H](C1)CO TS90974 [0,1,0,1,0,0|0,0,2]=4 1022 B8R1.1 CNC1CCN(C1)C TS04495 [0,1,0,1,0,0|2,0,0]=4 1023 B8R1.2 C#CC1CCCNC1 TS89660 [0,1,0,1,0,0|1,0,1]=4 1024 B8R1.2 C#CC1CCCOC1 TS85837 [0,1,0,1,0,0|1,0,1]=4 1025 B8R1.2 C#CC1CCNCC1 TS87859 [0,1,0,1,0,0|1,0,1]=4 1026 B8R1.2 C#CC1CCOCC1 TS89052 [0,1,0,1,0,0|1,0,1]=4 1027 B8R1.2 C#CC1CCSCC1 TS92849 [0,1,0,1,0,0|1,0,1]=4 1028 B8R1.2 C1CC(=COC1)C=O TS31909 [0,1,0,1,0,0|0,0,2]=4 1029 B8R1.2 C1CC(CC=C1)C=O TS60200 [0,1,0,1,0,0|0,0,1]=3 1030 B8R1.2 C1CC(CC=C1)CO TS31925 [0,1,0,1,0,0|2,0,0]=4 1031 B8R1.2 C1CC(CC=C1)CO TS93417 [0,1,0,1,0,0|2,0,0]=4 1032 B8R1.2 C1CC(CNC1)C#N TS00184 [0,1,0,1,0,0|1,0,1]=4 1033 B8R1.2 C1CC(CNC1)C#N TS07292 [0,1,0,1,0,0|1,0,1]=4 1034 B8R1.2 C1CC(CNC1)CO TS88392 [0,1,0,1,0,0|0,0,2]=4 1035 B8R1.2 C1CC(COC1)C=O TS16821 [0,1,0,1,0,0|0,0,0]=2 1036 B8R1.2 C1CC(COC1)CBr TS86643 [0,1,0,1,0,0|1,0,1]=4 1037 B8R1.2 C1CC(COC1)CN TS46681 [0,1,0,1,0,0|1,0,1]=4 1038 B8R1.2 C1CC(COC1)CO TS86137 [0,1,0,1,0,0|0,0,2]=4 1039 B8R1.2 C1CC(OC=C1)C=O TS89129 [0,1,0,1,0,0|0,0,2]=4 1040 B8R1.2 C1CC(OC=C1)CO TS04428 [0,1,0,1,0,0|2,0,0]=4 1041 B8R1.2 C1CCC(=CC1)C=O TS31838 [0,1,0,1,0,0|0,0,1]=3 1042 B8R1.2 C1CCC(CC1)C#N TS31808 [0,1,0,1,0,0|1,0,1]=4 1043 B8R1.2 C1CCC(CC1)C#N TS40668 [0,1,0,1,0,0|1,0,1]=4 1044 B8R1.2 C1CCC(CC1)C=O TS01404 [0,1,0,1,0,0|0,0,0]=2 1045 B8R1.2 C1CCC(CC1)CBr TS46572 [0,1,0,1,0,0|1,0,1]=4 1046 B8R1.2 C1CCC(CC1)CCl TS36740 [0,1,0,1,0,0|1,0,1]=4 1047 B8R1.2 C1CCC(CC1)CN TS04402 [0,1,0,1,0,0|1,0,1]=4 1048 B8R1.2 C1CCC(CC1)CO TS04473 [0,1,0,1,0,0|0,0,2]=4 1049 B8R1.2 C1CCC(CC1)CS TS05617 [0,1,0,1,0,0|0,1,1]=4 1050 B8R1.2 C1CCC(CC1)NO TS10098 [0,1,0,1,0,0|1,0,1]=4 1051 B8R1.2 C1CCC(CC1)[Mg]Br TS50598 [0,1,0,1,0,0|2,0,0]=4 1052 B8R1.2 C1CCC(CC1)[Mg]Cl TS06810 [0,1,0,1,0,0|2,0,0]=4 1053 B8R1.2 C1CCN(CC1)C=O TS56398 [0,1,0,1,0,0|1,0,0]=3 1054 B8R1.2 C1CCN(CC1)N=O TS01612 [0,1,0,1,0,0|2,0,0]=4 1055 B8R1.2 C1CCNC(C1)C#N TS85344 [0,1,0,1,0,0|1,0,1]=4 1056 B8R1.2 C1CCNC(C1)C=O TS04396 [0,1,0,1,0,0|0,0,0]=2 1057 B8R1.2 C1CCNC(C1)CN TS02462 [0,1,0,1,0,0|1,0,1]=4 1058 B8R1.2 C1CCNC(C1)CO TS02460 [0,1,0,1,0,0|0,0,2]=4 1059 B8R1.2 C1CCOC(C1)CCl TS05953 [0,1,0,1,0,0|1,0,1]=4 1060 B8R1.2 C1CCOC(C1)CN TS59436 [0,1,0,1,0,0|1,0,1]=4 1061 B8R1.2 C1CCOC(C1)CN TS59437 [0,1,0,1,0,0|1,0,1]=4 1062 B8R1.2 C1CCOC(C1)CO TS59577 [0,1,0,1,0,0|0,0,2]=4 1063 B8R1.2 C1CCOC(C1)ON TS59328 [0,1,0,1,0,0|2,0,0]=4 1064 B8R1.2 C1CN(CCN1)C=O TS00443 [0,1,0,1,0,0|1,0,0]=3 1065 B8R1.2 C1CNCCC1C#N TS03067 [0,1,0,1,0,0|1,0,1]=4 1066 B8R1.2 C1CNCCC1C#N TS07290 [0,1,0,1,0,0|1,0,1]=4 1067 B8R1.2 C1CNCCC1C=O TS59355 [0,1,0,1,0,0|0,0,0]=2 1068 B8R1.2 C1CNCCC1CF TS86720 [0,1,0,1,0,0|1,0,1]=4 1069 B8R1.2 C1CNCCC1CN TS16890 [0,1,0,1,0,0|1,0,1]=4 1070 B8R1.2 C1CNCCC1CO TS85529 [0,1,0,1,0,0|0,0,2]=4 1071 B8R1.2 C1COCC(=C1)C=O TS31902 [0,1,0,1,0,0|0,0,2]=4 1072 B8R1.2 C1COCCC1C#N TS16666 [0,1,0,1,0,0|1,0,1]=4 1073 B8R1.2 C1COCCC1C=O TS59439 [0,1,0,1,0,0|0,0,0]=2 1074 B8R1.2 C1COCCC1CBr TS16902 [0,1,0,1,0,0|1,0,1]=4 1075 B8R1.2 C1COCCC1CI TS24100 [0,1,0,1,0,0|1,0,1]=4 1076 B8R1.2 C1COCCC1CN TS03003 [0,1,0,1,0,0|1,0,1]=4 1077 B8R1.2 C1COCCC1CN TS07685 [0,1,0,1,0,0|1,0,1]=4 1078 B8R1.2 C1COCCC1CO TS59440 [0,1,0,1,0,0|0,0,2]=4 1079 B8R1.2 C1COCCC1NN TS41226 [0,1,0,1,0,0|2,0,0]=4 1080 B8R1.2 C1COCCC1NN TS87156 [0,1,0,1,0,0|2,0,0]=4 1081 B8R1.2 C1COCCN1C=O TS34591 [0,1,0,1,0,0|1,0,0]=3 1082 B8R1.2 C1COCCN1N=O TS04571 [0,1,0,1,0,0|2,0,0]=4 1083 B8R1.2 C1CSCCC1C#N TS90376 [0,1,0,1,0,0|1,0,1]=4 1084 B8R1.2 C1CSCCC1CN TS91963 [0,1,0,1,0,0|1,0,1]=4 1085 B8R1.2 C1CSCCC1CO TS90016 [0,1,0,1,0,0|0,0,2]=4 1086 B8R1.2 C1C[C@@H](CNC1)C#N TS92391 [0,1,0,1,0,0|1,0,1]=4 1087 B8R1.2 C1C[C@@H](CNC1)CO TS46642 [0,1,0,1,0,0|0,0,2]=4 1088 B8R1.2 C1C[C@H](CNC1)C#N TS92378 [0,1,0,1,0,0|1,0,1]=4 1089 B8R1.2 C1C[C@H](CNC1)CO TS46591 [0,1,0,1,0,0|0,0,2]=4 1090 B8R1.2 CCC1=CCCCC1 TS31842 [0,1,0,1,0,0|1,0,1]=4 1091 B8R1.2 CCC1CCCCC1 TS04342 [0,1,0,1,0,0|1,0,1]=4 1092 B8R1.2 CCC1CCCCN1 TS04398 [0,1,0,1,0,0|1,0,1]=4 1093 B8R1.2 CCC1CNCCN1 TS55315 [0,1,0,1,0,0|1,0,1]=4 1094 B8R1.2 CC[C@@H]1CNCCN1 TS04491 [0,1,0,1,0,0|1,0,1]=4 1095 B8R1.2 CC[C@@H]1CNCCN1 TS49029 [0,1,0,1,0,0|1,0,1]=4 1096 B8R1.2 CNC1CCC=CO1 TS32011 [0,1,0,1,0,0|2,0,0]=4 1097 B8R1.2 CNC1CCCCC1 TS08095 [0,1,0,1,0,0|2,0,0]=4 1098 B8R1.2 CNC1CCCNC1 TS77173 [0,1,0,1,0,0|2,0,0]=4 1099 B8R1.2 CNC1CCOCC1 TS01608 [0,1,0,1,0,0|2,0,0]=4 1100 B8R1.2 CNC1CCOCC1 TS41077 [0,1,0,1,0,0|2,0,0]=4 1101 B8R1.2 COC1CCC=CO1 TS04445 [0,1,0,1,0,0|2,0,0]=4 1102 B8R1.2 COC1CCCC=C1 TS31935 [0,1,0,1,0,0|2,0,0]=4 1103 B8R1.2 COC1CCCCC1 TS32092 [0,1,0,1,0,0|2,0,0]=4 1104 B8R1.2 COC1CCCNC1 TS86602 [0,1,0,1,0,0|2,0,0]=4 1105 B8R1.2 COC1CCNCC1 TS03162 [0,1,0,1,0,0|2,0,0]=4 1106 B8R1.2 COC1CCNCC1 TS10095 [0,1,0,1,0,0|2,0,0]=4 1107 B8R1.2 CO[C@@H]1CCCNC1 TS90956 [0,1,0,1,0,0|2,0,0]=4 1108 B8R1.2 CO[C@@H]1CCCNC1 TS90967 [0,1,0,1,0,0|2,0,0]=4 1109 B8R1.2 CO[C@H]1CCCNC1 TS86418 [0,1,0,1,0,0|2,0,0]=4 1110 B8R1.2 CO[C@H]1CCCNC1 TS90968 [0,1,0,1,0,0|2,0,0]=4 1111 B8R1.2 CSC1CCCCC1 TS05616 [0,1,0,1,0,0|2,0,0]=4 1112 B8R1.2 CSC1CCNCC1 TS88660 [0,1,0,1,0,0|2,0,0]=4 1113 B8R1.2 [C-]#[N+]C1CCCCC1 TS34562 [0,1,0,1,0,0|2,0,0]=4 1114 B8R1.8 C#CCC1CCCC1 TS04146 [0,1,0,1,0,0|1,0,1]=4 1115 B8R1.8 C1CC(NC1)CCO TS91871 [0,1,0,1,0,0|2,0,0]=4 1116 B8R1.8 C1CCC(C1)CCN TS00978 [0,1,0,1,0,0|1,0,1]=4 1117 B8R1.8 C1CCC(C1)CCO TS04478 [0,1,0,1,0,0|0,0,2]=4 1118 B8R1.8 C1CCC(C1)N=C=O TS59760 [0,1,0,1,0,0|0,0,1]=3 1119 B8R1.8 C1CCC(C1)N=C=S TS36250 [0,1,0,1,0,0|0,1,1]=4 1120 B8R1.8 C1CNCC1CCO TS88089 [0,1,0,1,0,0|1,0,1]=4 1121 B8R1.8 CCCC1CCCC1 TS31955 [0,1,0,1,0,0|1,0,1]=4 1122 B8R1.8 CCCC1CCCC1 TS57165 [0,1,0,1,0,0|1,0,1]=4 1123 B8R1.8 CCCC1CCCC1 TS67057 [0,1,0,1,0,0|1,0,1]=4 1124 B8R1.8 CCCC1CCCC1 TS69588 [0,1,0,1,0,0|1,0,1]=4 1125 B8R1.8 CCCC1CCCC1 TS69915 [0,1,0,1,0,0|1,0,1]=4 1126 B8R1.8 CCCC1CCCC1 TS72093 [0,1,0,1,0,0|1,0,1]=4 1127 B8R1.8 CCCC1CCCC1 TS72534 [0,1,0,1,0,0|1,0,1]=4 1128 B8R1.8 CCCC1CCCC1 TS81524 [0,1,0,1,0,0|1,0,1]=4 1129 B8R1.8 CCCC1CCCC1 TS82572 [0,1,0,1,0,0|1,0,1]=4 1130 B8R1.8 CCCC1CCCC1 TS82652 [0,1,0,1,0,0|1,0,1]=4 1131 B8R1.8 CCNC1CCNC1 TS04484 [0,1,0,1,0,0|1,0,1]=4 1132 B8R1.8 CCN[C@@H]1CCNC1 TS04494 [0,1,0,1,0,0|1,0,1]=4 1133 B8R1.8 CCN[C@H]1CCNC1 TS04485 [0,1,0,1,0,0|1,0,1]=4 1134 B8R1.8 CCOC1CCCO1 TS04591 [0,1,0,1,0,0|2,0,0]=4 1135 B8R1.8 CCO[C@@H]1CCNC1 TS85740 [0,1,0,1,0,0|1,0,1]=4 1136 B8R1.8 CCO[C@H]1CCNC1 TS90259 [0,1,0,1,0,0|1,0,1]=4 1137 B8R1.8 CNCC1CCCO1 TS32151 [0,1,0,1,0,0|2,0,0]=4 1138 B8R1.8 COCC1CCCN1 TS32164 [0,1,0,1,0,0|2,0,0]=4 1139 B8R1.8 COCC1CCCO1 TS04584 [0,1,0,1,0,0|2,0,0]=4 1140 B8R1.8 COCC1CCNC1 TS87730 [0,1,0,1,0,0|1,0,1]=4 1141 B8R1.8 COC[C@@H]1CCCN1 TS32165 [0,1,0,1,0,0|2,0,0]=4 1142 B8R1.8 COC[C@@H]1CCNC1 TS91884 [0,1,0,1,0,0|1,0,1]=4 1143 B8R1.8 COC[C@H]1CCCN1 TS32345 [0,1,0,1,0,0|2,0,0]=4 1144 B8R1.8 COC[C@H]1CCNC1 TS91991 [0,1,0,1,0,0|1,0,1]=4 1145 B8R1.11 C1C(C(=O)CO1)C#N TS92869 [0,1,0,1,0,0|1,0,1]=4 1146 B8R1.11 C1C(C(=O)CS1)C#N TS05266 [0,1,0,1,0,0|1,0,1]=4 1147 B8R1.11 C1CC(=O)C(=C1)CO TS31910 [0,1,0,1,0,0|1,0,1]=4 1148 B8R1.11 C1CC(=O)N(C1)CO TS04519 [0,1,0,1,0,0|2,0,0]=4 1149 B8R1.11 C1CC(C(=O)C1)C#N TS64878 [0,1,0,1,0,0|1,0,1]=4 1150 B8R1.11 CCC1=C(CCC1)C TS04224 [0,1,0,1,0,0|1,0,1]=4 1151 B8R1.11 CCC1CCCC1=O TS31928 [0,1,0,1,0,0|0,0,0]=2 1152 B8R1.11 CCC1CCCC1C TS67055 [0,1,0,1,0,0|1,0,1]=4 1153 B8R1.11 CCN1CCCC1=O TS32015 [0,1,0,1,0,0|1,0,0]=3 1154 B8R1.11 C[C@@H]1CNC[C@H]1CO TS32158 [0,1,0,1,0,0|0,0,2]=4 1155 B8R1.12 C1C[C@H]([C@@H]1CN)CN TS80941 [0,1,0,1,0,0|1,0,1]=4 1156 B8R1.60 CCC1(CCC1)CO TS04468 [0,1,0,1,0,0|0,0,2]=4 1157 B8R1.60 CCC1(COC1)C=O TS88721 [0,1,0,1,0,0|0,0,0]=2 1158 B8R1.60 CCC1(COC1)CN TS91249 [0,1,0,1,0,0|1,0,1]=4 1159 B8R1.60 CCC1(COC1)CO TS32202 [0,1,0,1,0,0|0,0,2]=4 1160 B8R1.7 B(C1CCCC1)(O)O TS55826 [0,1,0,1,0,0|1,0,1]=4 1161 B8R1.7 C1C(NCS1)C(=O)O TS05827 [0,1,0,1,0,0|2,0,0]=4 1162 B8R1.7 C1C=CCC1C(=O)O TS16735 [0,1,0,1,0,0|0,0,2]=4 1163 B8R1.7 C1CC(NC1)C(=O)N TS39860 [0,1,0,1,0,0|1,0,0]=3 1164 B8R1.7 C1CC(NC1)C(=O)O TS04527 [0,1,0,1,0,0|1,0,0]=3 1165 B8R1.7 C1CC(OC1)C(=O)O TS65650 [0,1,0,1,0,0|1,0,0]=3 1166 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [0,1,0,1,0,0|0,0,2]=4 1167 B8R1.7 C1CCC(C1)C(=O)Cl TS36732 [0,1,0,1,0,0|0,0,0]=2 1168 B8R1.7 C1CCC(C1)C(=O)N TS04395 [0,1,0,1,0,0|0,0,0]=2 1169 B8R1.7 C1CCC(C1)C(=O)O TS55824 [0,1,0,1,0,0|0,0,0]=2 1170 B8R1.7 C1CCN(C1)C(=N)N TS17769 [0,1,0,1,0,0|2,0,0]=4 1171 B8R1.7 C1CCN(C1)C(=N)N TS26633 [0,1,0,1,0,0|2,0,0]=4 1172 B8R1.7 C1CCN(C1)C(=O)Cl TS08208 [0,1,0,1,0,0|1,0,0]=3 1173 B8R1.7 C1CCN(C1)C(=S)N TS05578 [0,1,0,1,0,0|1,1,0]=4 1174 B8R1.7 C1CCN(C1)C(=S)S TS42816 [0,1,0,1,0,0|1,1,0]=4 1175 B8R1.7 C1CNCC1C(=O)N TS32074 [0,1,0,1,0,0|1,0,0]=3 1176 B8R1.7 C1CNCC1C(=O)N TS85947 [0,1,0,1,0,0|1,0,0]=3 1177 B8R1.7 C1CNCC1C(=O)O TS22734 [0,1,0,1,0,0|1,0,0]=3 1178 B8R1.7 C1CNC[C@@H]1C(=O)N TS86748 [0,1,0,1,0,0|1,0,0]=3 1179 B8R1.7 C1CNC[C@@H]1C(=O)O TS04526 [0,1,0,1,0,0|1,0,0]=3 1180 B8R1.7 C1CNC[C@H]1C(=O)N TS87104 [0,1,0,1,0,0|1,0,0]=3 1181 B8R1.7 C1CNC[C@H]1C(=O)N TS90204 [0,1,0,1,0,0|1,0,0]=3 1182 B8R1.7 C1CNC[C@H]1C(=O)O TS85658 [0,1,0,1,0,0|1,0,0]=3 1183 B8R1.7 C1COCC1C(=O)N TS88172 [0,1,0,1,0,0|1,0,0]=3 1184 B8R1.7 C1COCC1C(=O)O TS59430 [0,1,0,1,0,0|1,0,0]=3 1185 B8R1.7 C1COC[C@@H]1C(=O)O TS08087 [0,1,0,1,0,0|1,0,0]=3 1186 B8R1.7 C1COC[C@H]1C(=O)O TS32191 [0,1,0,1,0,0|1,0,0]=3 1187 B8R1.7 C1CSC(N1)C(=O)O TS05828 [0,1,0,1,0,0|2,0,0]=4 1188 B8R1.7 C1C[C@@H](NC1)C(=O)N TS09976 [0,1,0,1,0,0|1,0,0]=3 1189 B8R1.7 C1C[C@@H](NC1)C(=O)N TS39557 [0,1,0,1,0,0|1,0,0]=3 1190 B8R1.7 C1C[C@@H](NC1)C(=O)O TS39558 [0,1,0,1,0,0|1,0,0]=3 1191 B8R1.7 C1C[C@@H](NC1)C(=O)O TS93713 [0,1,0,1,0,0|1,0,0]=3 1192 B8R1.7 C1C[C@@H](OC1)C(=O)O TS46582 [0,1,0,1,0,0|1,0,0]=3 1193 B8R1.7 C1C[C@H](NC1)C(=O)N TS01534 [0,1,0,1,0,0|1,0,0]=3 1194 B8R1.7 C1C[C@H](NC1)C(=O)N TS64920 [0,1,0,1,0,0|1,0,0]=3 1195 B8R1.7 C1C[C@H](NC1)C(=O)O TS07866 [0,1,0,1,0,0|1,0,0]=3 1196 B8R1.7 C1C[C@H](OC1)C(=O)O TS08647 [0,1,0,1,0,0|1,0,0]=3 1197 B8R1.7 C1[C@@H](NCS1)C(=O)O TS05829 [0,1,0,1,0,0|2,0,0]=4 1198 B8R1.7 CC(=O)C1=CCCC1 TS31835 [0,1,0,1,0,0|0,0,2]=4 1199 B8R1.7 CC(=O)C1CCCC1 TS46943 [0,1,0,1,0,0|0,0,0]=2 1200 B8R1.7 CC(=O)C1CCCC1 TS52586 [0,1,0,1,0,0|0,0,0]=2 1201 B8R1.7 CC(=O)N1CCCC1 TS32010 [0,1,0,1,0,0|1,0,0]=3 1202 B8R1.7 CC(C)C1=CCCC1 TS31848 [0,1,0,1,0,0|1,0,1]=4 1203 B8R1.7 CC(C)C1CCCC1 TS04356 [0,1,0,1,0,0|1,0,1]=4 1204 B8R1.7 CC(C)C1CCCC1 TS30326 [0,1,0,1,0,0|1,0,1]=4 1205 B8R1.7 CC(C)C1CCCC1 TS63820 [0,1,0,1,0,0|1,0,1]=4 1206 B8R1.7 CC(C)C1CCCC1 TS67054 [0,1,0,1,0,0|1,0,1]=4 1207 B8R1.7 CC(C)C1CCCC1 TS72215 [0,1,0,1,0,0|1,0,1]=4 1208 B8R1.7 CC(C)C1CCCC1 TS73878 [0,1,0,1,0,0|1,0,1]=4 1209 B8R1.7 CC(C)C1CCCC1 TS74314 [0,1,0,1,0,0|1,0,1]=4 1210 B8R1.7 CC(C)C1CCCC1 TS82611 [0,1,0,1,0,0|1,0,1]=4 1211 B8R1.7 CC(C)C1CCCC1 TS82651 [0,1,0,1,0,0|1,0,1]=4 1212 B8R1.7 CC(C1CCCC1)O TS04475 [0,1,0,1,0,0|0,0,2]=4 1213 B8R1.63 C1CC1(C#N)C(=O)O TS04233 [0,1,0,1,0,0|1,0,1]=4 1214 B8R1.63 C1CC1(CN)C(=O)O TS04525 [0,1,0,1,0,0|1,0,0]=3 1215 B8R1.52 C1CCC(C1)(C#N)N TS07291 [0,1,0,1,0,0|1,0,1]=4 1216 B8R1.52 CCC1(CCCC1)C TS04357 [0,1,0,1,0,0|1,0,1]=4 1217 B8R1.52 CCC1(CCCC1)O TS39600 [0,1,0,1,0,0|1,0,1]=4 1218 B8R2.22 C1CC2C1CNC2 TS88667 [0,0,0,2,0,0|1,0,1]=4 1219 B8R2.34 C1CC2CC1C=C2 TS03681 [0,0,0,2,0,0|1,0,0]=3 1220 B8R2.34 C1CC2CC1CN2 TS31404 [0,0,0,2,0,0|1,0,1]=4 1221 B8R2.34 C1CC2CCC1N2 TS59525 [0,0,0,2,0,0|2,0,0]=4 1222 B8R2.34 C1CC2CCC1N2 TS87984 [0,0,0,2,0,0|2,0,0]=4 1223 B8R2.34 C1CC2CCC1O2 TS31431 [0,0,0,2,0,0|2,0,0]=4 1224 B8R2.55 C1CC12CCNC2 TS91399 [0,0,0,2,0,0|1,0,1]=4 1225 B8R2.55 C1CC2(CC2)NC1 TS92596 [0,0,0,2,0,0|2,0,0]=4