0 B5R0.3 C(=O)C(C=O)Br H31030 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C(C(C#N)Cl)Cl A17438 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C(C(CBr)Br)Br L03752 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 C(C(CCl)Cl)Cl L04312 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 C(C(CCl)Cl)O A18444 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 C(C(CCl)O)Cl A16003 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 C(C(CCl)O)F L17286 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 C(C(CCl)O)O A16143 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 C(C(CF)O)F L01646 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 C(C(CN)O)N A19618 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 C(C(CO)N)O B25419 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 C(C(CO)N)O L08426 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.3 C(C(CO)O)N B22672 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 C(C(CO)O)O 32450 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.3 C(C(CO)O)O 36646 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.3 C(C(CO)O)O 38988 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.3 C(C(CO)O)O A16205 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.3 C(C(CO)O)O J61059 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.3 C(C(CO)O)O J62399 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.3 C(C(CO)O)O J64719 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 C(C(CS)O)O A18948 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.3 C(C(CS)S)O L03953 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.3 C([C@@H](CCl)O)O L18556 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.3 C([C@@H](CO)O)N H26743 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.3 C([C@H](CCl)O)O L18555 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.3 CC(OC)OC A10939 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.3 CCC(=C)C=O B21839 [0,0,0,0,0,0|0,0,2]=2 27 B5R0.3 CCC(=C)CC L11553 [0,0,0,0,0,0|1,0,3]=4 28 B5R0.3 CCC(=O)C=C L06829 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.3 CCC(=O)CBr L12081 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.3 CCC(=O)CC A15297 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.3 CCC(=O)OC A14944 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.3 CCC(C#C)O B24853 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.3 CCC(C)C=C L11525 [0,0,0,0,0,0|1,0,0]=1 34 B5R0.3 CCC(C)C=O A19650 [0,0,0,0,0,0|0,0,0]=0 35 B5R0.3 CCC(C)CBr H27078 [0,0,0,0,0,0|1,0,1]=2 36 B5R0.3 CCC(C)CC L03133 [0,0,0,0,0,0|1,0,1]=2 37 B5R0.3 CCC(C)CO B21825 [0,0,0,0,0,0|0,0,2]=2 38 B5R0.3 CCC(C)CS B21949 [0,0,0,0,0,0|0,1,1]=2 39 B5R0.3 CCC(C)NC H27547 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.3 CCC(C)OC H53427 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.3 CCC(C)SC B21942 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.3 CCC(C=C)O B20155 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.3 CCC(CBr)Br B20356 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.3 CCC(CC)Br L13576 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.3 CCC(CC)N L02250 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.3 CCC(CC)O L06065 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.3 CCC(CC)[Zn+] H58214 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.3 CCC(CCl)Cl B21307 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.3 CCC(CO)N B24398 [0,0,0,0,0,0|1,0,2]=3 50 B5R0.3 CCN(CC)O B23302 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.3 CCP(=O)CC H27768 [0,0,0,0,0,0|3,0,1]=4 52 B5R0.3 CCP(CC)Cl 30204 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.3 CC[C@@H](CO)N L11449 [0,0,0,0,0,0|1,0,2]=3 54 B5R0.3 CC[C@H](C)CN L14063 [0,0,0,0,0,0|1,0,1]=2 55 B5R0.3 CC[C@H](CO)N B25212 [0,0,0,0,0,0|1,0,2]=3 56 B5R0.3 CC\C(=N\O)\C L08196 [0,0,0,0,0,0|1,0,2]=3 57 B5R0.3 CC\C(=N\O)\N H50889 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.3 COC(=O)C=C A13128 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.3 CO[SiH](C)OC L16197 [0,0,0,0,0,0|3,1,0]=4 60 B5R0.3 C\C=C(/C)\C=O L08113 [0,0,0,0,0,0|0,0,2]=2 61 B4R0.1 B(CC)(O)O L19959 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 C(=O)C(=O)O A16058 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 C(=O)C(=O)O B25149 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 C(C(=O)Br)Br A19580 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 C(C(=O)Cl)Cl A15846 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 C(C(=O)Cl)I L04428 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 C(C(=O)N)Br A11926 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 C(C(=O)N)Cl A15238 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 C(C(=O)N)I A14715 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 C(C(=O)N)N A11128 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 C(C(=O)O)Br A14403 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.1 C(C(=O)O)Cl 41724 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 C(C(=O)O)Cl A11482 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 C(C(=O)O)I A12410 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 C(C(=O)O)N 36435 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.1 C(C(=O)O)N 43497 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 C(C(=O)O)N A12162 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 C(C(=O)O)N A13816 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 C(C(=O)O)N J60154 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 C(C(=O)O)N J61855 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 C(C(=O)O)N J62407 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.1 C(C(=O)O)N J62527 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 C(C(=O)O)N J64365 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 C(C(=O)O)N J67094 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 C(C(=O)O)N J67147 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 C(C(=O)O)N J67349 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 C(C(=O)O)O A12511 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.1 C(C(=O)O)O L14980 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 C(C(=O)O)S B20391 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 C(C(=O)[O-])Br L14983 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.1 C(C(=O)[O-])Cl A12379 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.1 C(C(=O)[O-])O 39456 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 C(C(=O)[O-])O A12341 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 C(C(=O)[O-])S 45557 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.1 C(C(=O)[O-])S L14356 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.1 C(C(F)F)O B22201 [1,0,0,0,0,0|3,0,0]=4 97 B4R0.1 C(O)S(=O)[O-] A15731 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.1 C=C(CBr)Br A12099 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.1 C=C(CCl)Cl L08943 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.1 CC(=C)C#C L06111 [1,0,0,0,0,0|0,0,3]=4 101 B4R0.1 CC(=C)C=C L14619 [1,0,0,0,0,0|0,0,3]=4 102 B4R0.1 CC(=C)C=O 43124 [1,0,0,0,0,0|0,0,2]=3 103 B4R0.1 CC(=C)CCl B22674 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.1 CC(=C)CO H60502 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.1 CC(=C)OC B24083 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.1 CC(=C=C)C L10159 [1,0,0,0,0,0|1,0,2]=4 107 B4R0.1 CC(=NO)C A10802 [1,0,0,0,0,0|1,0,2]=4 108 B4R0.1 CC(=O)C#C L05527 [1,0,0,0,0,0|0,0,3]=4 109 B4R0.1 CC(=O)C#N H66636 [1,0,0,0,0,0|1,0,2]=4 110 B4R0.1 CC(=O)C=C A11910 [1,0,0,0,0,0|0,0,3]=4 111 B4R0.1 CC(=O)C=O B24664 [1,0,0,0,0,0|1,0,1]=3 112 B4R0.1 CC(=O)CCl A11922 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.1 CC(=O)CO L15008 [1,0,0,0,0,0|1,0,1]=3 114 B4R0.1 CC(=O)NBr L02953 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.1 CC(=O)NC A17928 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.1 CC(=O)NN A10969 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.1 CC(=O)NO L01569 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.1 CC(=O)OC L14475 [1,0,0,0,0,0|1,0,1]=3 119 B4R0.1 CC(=O)SC A12400 [1,0,0,0,0,0|1,0,1]=3 120 B4R0.1 CC(C#C)O A11881 [1,0,0,0,0,0|0,0,3]=4 121 B4R0.1 CC(C)C#C H53439 [1,0,0,0,0,0|1,0,1]=3 122 B4R0.1 CC(C)C#N L14470 [1,0,0,0,0,0|1,0,1]=3 123 B4R0.1 CC(C)C=O A12106 [1,0,0,0,0,0|0,0,0]=1 124 B4R0.1 CC(C)CBr B23854 [1,0,0,0,0,0|1,0,1]=3 125 B4R0.1 CC(C)CCl L04181 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.1 CC(C)CI A15883 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.1 CC(C)CN A11017 [1,0,0,0,0,0|1,0,1]=3 128 B4R0.1 CC(C)CO 22908 [1,0,0,0,0,0|0,0,2]=3 129 B4R0.1 CC(C)CO 32433 [1,0,0,0,0,0|0,0,2]=3 130 B4R0.1 CC(C)CO 36643 [1,0,0,0,0,0|0,0,2]=3 131 B4R0.1 CC(C)CO B23091 [1,0,0,0,0,0|0,0,2]=3 132 B4R0.1 CC(C)C[O-] 89455 [1,0,0,0,0,0|0,0,2]=3 133 B4R0.1 CC(C)C[Zn+] H58145 [1,0,0,0,0,0|1,0,1]=3 134 B4R0.1 CC(C)NC H65892 [1,0,0,0,0,0|1,0,1]=3 135 B4R0.1 CC(C=C)O L14787 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.1 CC(CBr)Br B22994 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.1 CC(CCl)Cl L03083 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.1 CC(CCl)O B22686 [1,0,0,0,0,0|1,0,1]=3 139 B4R0.1 CC(CN)N B24489 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.1 CC(CN)O L15343 [1,0,0,0,0,0|1,0,1]=3 141 B4R0.1 CC(CO)N L03608 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.1 CC(CO)O 30948 [1,0,0,0,0,0|1,0,1]=3 143 B4R0.1 CC(CO)O A18406 [1,0,0,0,0,0|1,0,1]=3 144 B4R0.1 CC=C(C)C 31853 [1,0,0,0,0,0|1,0,1]=3 145 B4R0.1 CCC(=C)Br B20067 [1,0,0,0,0,0|1,0,1]=3 146 B4R0.1 CCC(=C)C H27230 [1,0,0,0,0,0|0,0,1]=2 147 B4R0.1 CCC(=O)C 22924 [1,0,0,0,0,0|0,0,1]=2 148 B4R0.1 CCC(=O)C 31069 [1,0,0,0,0,0|0,0,1]=2 149 B4R0.1 CCC(=O)C 39119 [1,0,0,0,0,0|0,0,1]=2 150 B4R0.1 CCC(=O)C L13185 [1,0,0,0,0,0|0,0,1]=2 151 B4R0.1 CCC(=O)Cl A10940 [1,0,0,0,0,0|1,0,1]=3 152 B4R0.1 CCC(=O)N A10521 [1,0,0,0,0,0|1,0,1]=3 153 B4R0.1 CCC(=O)O L04210 [1,0,0,0,0,0|1,0,1]=3 154 B4R0.1 CCC(=O)[O-] 18865 [1,0,0,0,0,0|1,0,1]=3 155 B4R0.1 CCC(=O)[O-] A14994 [1,0,0,0,0,0|1,0,1]=3 156 B4R0.1 CCC(=O)[O-] A17440 [1,0,0,0,0,0|1,0,1]=3 157 B4R0.1 CCC(=O)[O-] B23636 [1,0,0,0,0,0|1,0,1]=3 158 B4R0.1 CCC(C)Br A15069 [1,0,0,0,0,0|1,0,0]=2 159 B4R0.1 CCC(C)C 19387 [1,0,0,0,0,0|0,0,1]=2 160 B4R0.1 CCC(C)Cl B21586 [1,0,0,0,0,0|1,0,0]=2 161 B4R0.1 CCC(C)I B20619 [1,0,0,0,0,0|1,0,0]=2 162 B4R0.1 CCC(C)N A13014 [1,0,0,0,0,0|1,0,0]=2 163 B4R0.1 CCC(C)O 41871 [1,0,0,0,0,0|0,0,1]=2 164 B4R0.1 CCC(C)O 43315 [1,0,0,0,0,0|0,0,1]=2 165 B4R0.1 CCC(C)O A18658 [1,0,0,0,0,0|0,0,1]=2 166 B4R0.1 CCC(C)[O-] 30721 [1,0,0,0,0,0|0,0,1]=2 167 B4R0.1 CCC(C)[O-] 43712 [1,0,0,0,0,0|0,0,1]=2 168 B4R0.1 CCC(C)[O-] A13044 [1,0,0,0,0,0|0,0,1]=2 169 B4R0.1 CCC(C)[Zn+] H58714 [1,0,0,0,0,0|1,0,0]=2 170 B4R0.1 CCN(C)C B23992 [1,0,0,0,0,0|1,0,1]=3 171 B4R0.1 CC[C@@H](C)N L03889 [1,0,0,0,0,0|1,0,0]=2 172 B4R0.1 CC[C@@H](C)O L13983 [1,0,0,0,0,0|0,0,1]=2 173 B4R0.1 CC[C@H](C)N L10069 [1,0,0,0,0,0|1,0,0]=2 174 B4R0.1 CC[C@H](C)O L14164 [1,0,0,0,0,0|0,0,1]=2 175 B4R0.1 CC[N+](=O)[O-] A10855 [1,0,0,0,0,0|2,0,0]=3 176 B4R0.1 CN(C)C=O 13808 [1,0,0,0,0,0|1,0,0]=2 177 B4R0.1 CN(C)C=O 22915 [1,0,0,0,0,0|1,0,0]=2 178 B4R0.1 CN(C)C=O 39117 [1,0,0,0,0,0|1,0,0]=2 179 B4R0.1 CN(C)C=O 41859 [1,0,0,0,0,0|1,0,0]=2 180 B4R0.1 CN(C)C=O 43465 [1,0,0,0,0,0|1,0,0]=2 181 B4R0.1 CN(C)C=O 43997 [1,0,0,0,0,0|1,0,0]=2 182 B4R0.1 CN(C)C=O A13547 [1,0,0,0,0,0|1,0,0]=2 183 B4R0.1 CN(C)C=S B24529 [1,0,0,0,0,0|1,1,0]=3 184 B4R0.1 CNC(=O)N B24772 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.1 COC(=O)N A16523 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.1 C[Al](C)C[Ti+] 44506 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.1 C[C@@H](C#C)O L20345 [1,0,0,0,0,0|0,0,3]=4 188 B4R0.1 C[C@@H](CN)N H60753 [1,0,0,0,0,0|2,0,0]=3 189 B4R0.1 C[C@@H](CN)O L14102 [1,0,0,0,0,0|1,0,1]=3 190 B4R0.1 C[C@@H](CO)N B24916 [1,0,0,0,0,0|2,0,0]=3 191 B4R0.1 C[C@@H](CO)O B21773 [1,0,0,0,0,0|1,0,1]=3 192 B4R0.1 C[C@H](C#C)O L18880 [1,0,0,0,0,0|0,0,3]=4 193 B4R0.1 C[C@H](CN)O L14101 [1,0,0,0,0,0|1,0,1]=3 194 B4R0.1 C[C@H](CO)N L11030 [1,0,0,0,0,0|2,0,0]=3 195 B4R0.1 C[C@H](CO)O B21937 [1,0,0,0,0,0|1,0,1]=3 196 B4R0.1 C[N+](=CCl)C B24172 [1,0,0,0,0,0|2,0,0]=3 197 B4R0.1 C\C=C(\C)/Br A18058 [1,0,0,0,0,0|1,0,2]=4 198 B4R0.1 [Li]C(C)CC 43028 [1,0,0,0,0,0|1,0,0]=2 199 B4R0.2 C#CCCBr H53367 [1,0,0,0,0,0|2,0,1]=4 200 B4R0.2 C#CCCO A11477 [1,0,0,0,0,0|2,0,1]=4 201 B4R0.2 C(CBr)C#N B23998 [1,0,0,0,0,0|2,0,1]=4 202 B4R0.2 C(CBr)CBr A14687 [1,0,0,0,0,0|2,0,1]=4 203 B4R0.2 C(CCl)C#N L05902 [1,0,0,0,0,0|2,0,1]=4 204 B4R0.2 C(CCl)CBr A11395 [1,0,0,0,0,0|2,0,1]=4 205 B4R0.2 C(CCl)CCl 36685 [1,0,0,0,0,0|2,0,1]=4 206 B4R0.2 C(CCl)CI A13489 [1,0,0,0,0,0|2,0,1]=4 207 B4R0.2 C(CF)CF L12351 [1,0,0,0,0,0|2,0,1]=4 208 B4R0.2 C(CI)CI A10616 [1,0,0,0,0,0|2,0,1]=4 209 B4R0.2 C(CN)C#N A13043 [1,0,0,0,0,0|2,0,1]=4 210 B4R0.2 C(CN)CBr B23254 [1,0,0,0,0,0|2,0,1]=4 211 B4R0.2 C(CN)CCl A15415 [1,0,0,0,0,0|2,0,1]=4 212 B4R0.2 C(CN)CN A11932 [1,0,0,0,0,0|2,0,1]=4 213 B4R0.2 C(CN)CO B23041 [1,0,0,0,0,0|1,0,2]=4 214 B4R0.2 C(CO)C#N L12570 [1,0,0,0,0,0|2,0,1]=4 215 B4R0.2 C(CO)CBr B22857 [1,0,0,0,0,0|1,0,2]=4 216 B4R0.2 C(CO)CCl A16871 [1,0,0,0,0,0|1,0,2]=4 217 B4R0.2 C(CO)CO A10829 [1,0,0,0,0,0|1,0,2]=4 218 B4R0.2 C(CO)NN 43793 [1,0,0,0,0,0|3,0,0]=4 219 B4R0.2 C(CS)CS A15261 [1,0,0,0,0,0|1,1,1]=4 220 B4R0.2 C(C[Zn+])C#N H58695 [1,0,0,0,0,0|2,0,1]=4 221 B4R0.2 C(\C=C\Cl)Cl L10332 [1,0,0,0,0,0|2,0,1]=4 222 B4R0.2 C=CCC#N 44775 [1,0,0,0,0,0|2,0,1]=4 223 B4R0.2 C=CCCBr A10977 [1,0,0,0,0,0|2,0,0]=3 224 B4R0.2 C=CCCN L20157 [1,0,0,0,0,0|2,0,0]=3 225 B4R0.2 C=CCCO L00767 [1,0,0,0,0,0|2,0,0]=3 226 B4R0.2 C=CCC[Zn+] H58171 [1,0,0,0,0,0|2,0,0]=3 227 B4R0.2 CCC#CC L02973 [1,0,0,0,0,0|1,0,2]=4 228 B4R0.2 CCCC#C L02479 [1,0,0,0,0,0|1,0,1]=3 229 B4R0.2 CCCC#N L02999 [1,0,0,0,0,0|1,0,1]=3 230 B4R0.2 CCCC=C A16723 [1,0,0,0,0,0|1,0,0]=2 231 B4R0.2 CCCC=O A18243 [1,0,0,0,0,0|0,0,0]=1 232 B4R0.2 CCCCBr A10696 [1,0,0,0,0,0|1,0,1]=3 233 B4R0.2 CCCCC 17381 [1,0,0,0,0,0|1,0,1]=3 234 B4R0.2 CCCCC 22907 [1,0,0,0,0,0|1,0,1]=3 235 B4R0.2 CCCCC 32449 [1,0,0,0,0,0|1,0,1]=3 236 B4R0.2 CCCCC 40981 [1,0,0,0,0,0|1,0,1]=3 237 B4R0.2 CCCCC 44255 [1,0,0,0,0,0|1,0,1]=3 238 B4R0.2 CCCCC 47115 [1,0,0,0,0,0|1,0,1]=3 239 B4R0.2 CCCCC H27427 [1,0,0,0,0,0|1,0,1]=3 240 B4R0.2 CCCCCl 39198 [1,0,0,0,0,0|1,0,1]=3 241 B4R0.2 CCCCCl A11494 [1,0,0,0,0,0|1,0,1]=3 242 B4R0.2 CCCCI A12340 [1,0,0,0,0,0|1,0,1]=3 243 B4R0.2 CCCCN L03575 [1,0,0,0,0,0|1,0,1]=3 244 B4R0.2 CCCCO 22925 [1,0,0,0,0,0|0,0,2]=3 245 B4R0.2 CCCCO 31068 [1,0,0,0,0,0|0,0,2]=3 246 B4R0.2 CCCCO 32443 [1,0,0,0,0,0|0,0,2]=3 247 B4R0.2 CCCCO 41867 [1,0,0,0,0,0|0,0,2]=3 248 B4R0.2 CCCCO L13171 [1,0,0,0,0,0|0,0,2]=3 249 B4R0.2 CCCCS 43421 [1,0,0,0,0,0|0,1,1]=3 250 B4R0.2 CCCC[Mg+] 41676 [1,0,0,0,0,0|1,0,1]=3 251 B4R0.2 CCCC[Mg+] 46117 [1,0,0,0,0,0|1,0,1]=3 252 B4R0.2 CCCC[O-] 33496 [1,0,0,0,0,0|0,0,2]=3 253 B4R0.2 CCCC[O-] 36570 [1,0,0,0,0,0|0,0,2]=3 254 B4R0.2 CCCC[O-] 40816 [1,0,0,0,0,0|0,0,2]=3 255 B4R0.2 CCCC[O-] 43295 [1,0,0,0,0,0|0,0,2]=3 256 B4R0.2 CCCC[O-] 44209 [1,0,0,0,0,0|0,0,2]=3 257 B4R0.2 CCCC[O-] 77124 [1,0,0,0,0,0|0,0,2]=3 258 B4R0.2 CCCC[O-] 87754 [1,0,0,0,0,0|0,0,2]=3 259 B4R0.2 CCCC[O-] B23317 [1,0,0,0,0,0|0,0,2]=3 260 B4R0.2 CCCC[Sn+3] 71125 [1,0,0,0,0,0|1,0,1]=3 261 B4R0.2 CCCC[Zn+] H58121 [1,0,0,0,0,0|1,0,1]=3 262 B4R0.2 CCCNC A16903 [1,0,0,0,0,0|2,0,0]=3 263 B4R0.2 CCCSC L09346 [1,0,0,0,0,0|2,0,0]=3 264 B4R0.2 CCN=C=O B25180 [1,0,0,0,0,0|1,0,1]=3 265 B4R0.2 CCN=C=S A19492 [1,0,0,0,0,0|1,1,1]=4 266 B4R0.2 CCNCC A10452 [1,0,0,0,0,0|2,0,1]=4 267 B4R0.2 CCNCC A11716 [1,0,0,0,0,0|2,0,1]=4 268 B4R0.2 CCNCC A13637 [1,0,0,0,0,0|2,0,1]=4 269 B4R0.2 CCOC#C A14245 [1,0,0,0,0,0|2,0,1]=4 270 B4R0.2 CCOC=C A15691 [1,0,0,0,0,0|2,0,0]=3 271 B4R0.2 CCOC=O A11113 [1,0,0,0,0,0|1,0,0]=2 272 B4R0.2 CCOCC 16767 [1,0,0,0,0,0|2,0,1]=4 273 B4R0.2 CCOCC 33224 [1,0,0,0,0,0|2,0,1]=4 274 B4R0.2 CCOCC 38990 [1,0,0,0,0,0|2,0,1]=4 275 B4R0.2 CCOCC 40976 [1,0,0,0,0,0|2,0,1]=4 276 B4R0.2 CCOCC 41796 [1,0,0,0,0,0|2,0,1]=4 277 B4R0.2 CCOCC A15275 [1,0,0,0,0,0|2,0,1]=4 278 B4R0.2 CCOCC H33678 [1,0,0,0,0,0|2,0,1]=4 279 B4R0.2 CCOCC L15481 [1,0,0,0,0,0|2,0,1]=4 280 B4R0.2 CCSCC 10482 [1,0,0,0,0,0|2,0,1]=4 281 B4R0.2 CCSCC 10484 [1,0,0,0,0,0|2,0,1]=4 282 B4R0.2 CCSCC L03493 [1,0,0,0,0,0|2,0,1]=4 283 B4R0.2 CC[Al+]CC 87625 [1,0,0,0,0,0|2,0,1]=4 284 B4R0.2 CC[Al+]CC 89035 [1,0,0,0,0,0|2,0,1]=4 285 B4R0.2 CC[N-]CC 40445 [1,0,0,0,0,0|2,0,1]=4 286 B4R0.2 CC[N-]CC 42759 [1,0,0,0,0,0|2,0,1]=4 287 B4R0.2 CC[N-]CC 42855 [1,0,0,0,0,0|2,0,1]=4 288 B4R0.2 CC[N-]CC 43419 [1,0,0,0,0,0|2,0,1]=4 289 B4R0.2 CC[SiH2]CC L16468 [1,0,0,0,0,0|1,1,1]=4 290 B4R0.2 CC[Sn+2]CC 71155 [1,0,0,0,0,0|2,0,1]=4 291 B4R0.2 CC[Zn]CC 39564 [1,0,0,0,0,0|2,0,1]=4 292 B4R0.2 CC[Zn]CC 44880 [1,0,0,0,0,0|2,0,1]=4 293 B4R0.2 CC[Zn]CC 89038 [1,0,0,0,0,0|2,0,1]=4 294 B4R0.2 CC\C=C\C A17736 [1,0,0,0,0,0|1,0,1]=3 295 B4R0.2 CC\C=C\C L09421 [1,0,0,0,0,0|1,0,1]=3 296 B4R0.2 CNCC#N H55215 [1,0,0,0,0,0|2,0,1]=4 297 B4R0.2 CNCC=C H27551 [1,0,0,0,0,0|2,0,0]=3 298 B4R0.2 CNCCN A12165 [1,0,0,0,0,0|2,0,1]=4 299 B4R0.2 CNCCO B23180 [1,0,0,0,0,0|1,0,2]=4 300 B4R0.2 COCC=C 18652 [1,0,0,0,0,0|2,0,0]=3 301 B4R0.2 COCCBr A15370 [1,0,0,0,0,0|2,0,1]=4 302 B4R0.2 COCCCl B24081 [1,0,0,0,0,0|2,0,1]=4 303 B4R0.2 COCCN B22924 [1,0,0,0,0,0|2,0,1]=4 304 B4R0.2 COCCO 31733 [1,0,0,0,0,0|1,0,2]=4 305 B4R0.2 COCCO 32444 [1,0,0,0,0,0|1,0,2]=4 306 B4R0.2 COCCO A17459 [1,0,0,0,0,0|1,0,2]=4 307 B4R0.2 COCC[O-] 40471 [1,0,0,0,0,0|1,0,2]=4 308 B4R0.2 COCC[O-] 41237 [1,0,0,0,0,0|1,0,2]=4 309 B4R0.2 COCC[O-] 41256 [1,0,0,0,0,0|1,0,2]=4 310 B4R0.2 COCC[O-] 41793 [1,0,0,0,0,0|1,0,2]=4 311 B4R0.2 COCC[O-] 42377 [1,0,0,0,0,0|1,0,2]=4 312 B4R0.2 COCC[O-] 42378 [1,0,0,0,0,0|1,0,2]=4 313 B4R0.2 COCC[O-] 42522 [1,0,0,0,0,0|1,0,2]=4 314 B4R0.2 COCC[O-] 42819 [1,0,0,0,0,0|1,0,2]=4 315 B4R0.2 COCC[O-] 43903 [1,0,0,0,0,0|1,0,2]=4 316 B4R0.2 COCC[O-] A13292 [1,0,0,0,0,0|1,0,2]=4 317 B4R0.2 COCOC A12055 [1,0,0,0,0,0|3,0,0]=4 318 B4R0.2 CSCC#N L03066 [1,0,0,0,0,0|2,0,1]=4 319 B4R0.2 CSCC=C B22514 [1,0,0,0,0,0|2,0,0]=3 320 B4R0.2 CSCCN B22941 [1,0,0,0,0,0|2,0,1]=4 321 B4R0.2 CSCCO L05442 [1,0,0,0,0,0|1,0,2]=4 322 B4R0.2 CSCSC A19706 [1,0,0,0,0,0|3,0,0]=4 323 B4R0.2 C\C=C\C=O L03362 [1,0,0,0,0,0|0,0,2]=3 324 B4R0.2 C\C=C\CO A10681 [1,0,0,0,0,0|2,0,1]=4 325 B4R0.2 C\C=C\C[Mg+] H51171 [1,0,0,0,0,0|2,0,1]=4 326 B4R0.2 [Li]CCCC 41248 [1,0,0,0,0,0|1,0,1]=3 327 B4R0.2 [Li]CCCC 43314 [1,0,0,0,0,0|1,0,1]=3 328 B4R0.2 [Li]CCCC 44109 [1,0,0,0,0,0|1,0,1]=3 329 B4R0.2 [Li]CCCC 47107 [1,0,0,0,0,0|1,0,1]=3 330 B4R0.2 [Li]CCCC H66688 [1,0,0,0,0,0|1,0,1]=3 331 B4R0.2 [Li]CCCC L13559 [1,0,0,0,0,0|1,0,1]=3 332 B4R0.2 [Li]CCCC L14775 [1,0,0,0,0,0|1,0,1]=3 333 B6R0.1 C(CO)C(CO)O L05138 [0,1,0,0,0,0|1,0,2]=4 334 B6R0.1 C(CO)[C@@H](CO)O L20258 [0,1,0,0,0,0|1,0,2]=4 335 B6R0.1 C=CCC(C=C)O L03182 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.1 CC(CC=O)SC B22033 [0,1,0,0,0,0|1,0,0]=2 337 B6R0.1 CCC(=O)OC=C L12931 [0,1,0,0,0,0|2,0,1]=4 338 B6R0.1 CCC(=O)\C=C\C H27445 [0,1,0,0,0,0|2,0,1]=4 339 B6R0.1 CCC(C#CC)O L09727 [0,1,0,0,0,0|2,0,1]=4 340 B6R0.1 CCC(C)CCO B22356 [0,1,0,0,0,0|0,0,2]=3 341 B6R0.1 CCC(CC#C)O L05437 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.1 CCCC(=O)C=C L07660 [0,1,0,0,0,0|2,0,1]=4 343 B6R0.1 CCCC(C#C)O L11549 [0,1,0,0,0,0|2,0,1]=4 344 B6R0.1 CCCC(C)C#C L09296 [0,1,0,0,0,0|1,0,1]=3 345 B6R0.1 CCCC(C)C=O B24199 [0,1,0,0,0,0|0,0,0]=1 346 B6R0.1 CCCC(C=C)O A19672 [0,1,0,0,0,0|2,0,0]=3 347 B6R0.1 CCCC(CC)Br L00818 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.1 CCCC(CC)O B20210 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.1 CCCC(CC)[Zn+] H58535 [0,1,0,0,0,0|2,0,1]=4 350 B6R0.1 CCOC(=O)C=C A15493 [0,1,0,0,0,0|2,0,1]=4 351 B6R0.1 CCOC(=O)C=O L19207 [0,1,0,0,0,0|1,0,1]=3 352 B6R0.1 CCO\C(=N\O)\C A11006 [0,1,0,0,0,0|1,0,2]=4 353 B6R0.1 CC\C=C(/C)\C=O A15729 [0,1,0,0,0,0|0,0,1]=2 354 B6R0.1 CNCC(CO)O L12653 [0,1,0,0,0,0|1,0,2]=4 355 B6R0.1 COCC(CCl)O L16239 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.1 COCC(CO)O L08011 [0,1,0,0,0,0|1,0,2]=4 357 B6R0.3 C(C(=O)C(=O)O)Br L00720 [0,1,0,0,0,0|2,0,1]=4 358 B6R0.3 C(C(C(=O)Cl)Br)Br A17712 [0,1,0,0,0,0|2,0,0]=3 359 B6R0.3 C(C(C(=O)N)Br)Br L10978 [0,1,0,0,0,0|2,0,0]=3 360 B6R0.3 C(C(C(=O)O)Br)F H31718 [0,1,0,0,0,0|2,0,0]=3 361 B6R0.3 C(C(C(=O)O)N)N L09485 [0,1,0,0,0,0|2,0,0]=3 362 B6R0.3 C(C(C(=O)O)N)O A15184 [0,1,0,0,0,0|2,0,0]=3 363 B6R0.3 C(C(C(=O)O)N)S H25779 [0,1,0,0,0,0|2,0,0]=3 364 B6R0.3 C(C(C(=O)O)N)S H56126 [0,1,0,0,0,0|2,0,0]=3 365 B6R0.3 C(C(C(=O)O)O)N H53412 [0,1,0,0,0,0|2,0,0]=3 366 B6R0.3 C(C(C(=O)[O-])O)O L08214 [0,1,0,0,0,0|2,0,0]=3 367 B6R0.3 C([C@@H](C(=O)N)N)O H65169 [0,1,0,0,0,0|2,0,0]=3 368 B6R0.3 C([C@@H](C(=O)O)N)N H62128 [0,1,0,0,0,0|2,0,0]=3 369 B6R0.3 C([C@@H](C(=O)O)N)O A11179 [0,1,0,0,0,0|2,0,0]=3 370 B6R0.3 C([C@@H](C(=O)O)N)S A10389 [0,1,0,0,0,0|2,0,0]=3 371 B6R0.3 C([C@@H](C(=O)O)N)S A10435 [0,1,0,0,0,0|2,0,0]=3 372 B6R0.3 C([C@@H](C(=O)O)N)S L06328 [0,1,0,0,0,0|2,0,0]=3 373 B6R0.3 C([C@@H](C(=O)O)O)N H60945 [0,1,0,0,0,0|2,0,0]=3 374 B6R0.3 C([C@H](C(=O)O)N)O A11353 [0,1,0,0,0,0|2,0,0]=3 375 B6R0.3 C([C@H](C(=O)O)N)S H27107 [0,1,0,0,0,0|2,0,0]=3 376 B6R0.3 C([C@H](C(=O)O)N)S H62627 [0,1,0,0,0,0|2,0,0]=3 377 B6R0.3 CC(=O)C(=O)OC A13966 [0,1,0,0,0,0|2,0,1]=4 378 B6R0.3 CC(=O)N(C)OC H65226 [0,1,0,0,0,0|2,0,0]=3 379 B6R0.3 CC(C(=O)O)NC H65287 [0,1,0,0,0,0|1,0,0]=2 380 B6R0.3 CC(C)C(C#C)O L05318 [0,1,0,0,0,0|2,0,1]=4 381 B6R0.3 CC(C)C(C=O)Br H52334 [0,1,0,0,0,0|1,0,0]=2 382 B6R0.3 CC(C)[C@@H](CO)N L11300 [0,1,0,0,0,0|1,0,2]=4 383 B6R0.3 CC(C)[C@H](CO)N L14166 [0,1,0,0,0,0|1,0,2]=4 384 B6R0.3 CC(CO)C(=O)C H28483 [0,1,0,0,0,0|1,0,0]=2 385 B6R0.3 CC(CO)[N+](=O)[O-] 43843 [0,1,0,0,0,0|2,0,0]=3 386 B6R0.3 CCC(=O)C(=O)C A13116 [0,1,0,0,0,0|1,0,1]=3 387 B6R0.3 CCC(C(=O)C)S B21797 [0,1,0,0,0,0|1,0,0]=2 388 B6R0.3 CCC(C(=O)Cl)Cl L11207 [0,1,0,0,0,0|1,0,0]=2 389 B6R0.3 CCC(C(=O)N)Cl B21783 [0,1,0,0,0,0|1,0,0]=2 390 B6R0.3 CCC(C(=O)O)Br B21743 [0,1,0,0,0,0|1,0,0]=2 391 B6R0.3 CCC(C(=O)O)Cl L20083 [0,1,0,0,0,0|1,0,0]=2 392 B6R0.3 CCC(C(=O)O)N L06035 [0,1,0,0,0,0|1,0,0]=2 393 B6R0.3 CCC(C(=O)[O-])O A18636 [0,1,0,0,0,0|1,0,0]=2 394 B6R0.3 CCC(C(C)C)O L08015 [0,1,0,0,0,0|2,0,1]=4 395 B6R0.3 CCC(C)C(=O)C A19999 [0,1,0,0,0,0|0,0,0]=1 396 B6R0.3 CCC(C)C(=O)Cl B22599 [0,1,0,0,0,0|0,0,0]=1 397 B6R0.3 CCC(C)C(=O)O A11546 [0,1,0,0,0,0|0,0,0]=1 398 B6R0.3 CCC(C)C(C)C 43707 [0,1,0,0,0,0|1,0,1]=3 399 B6R0.3 CC[C@@H](C(=O)N)N H55576 [0,1,0,0,0,0|1,0,0]=2 400 B6R0.3 CC[C@@H](C(=O)O)N L13984 [0,1,0,0,0,0|1,0,0]=2 401 B6R0.3 CC[C@H](C(=O)O)N L14096 [0,1,0,0,0,0|1,0,0]=2 402 B6R0.3 COC(=O)C(=O)Cl L13258 [0,1,0,0,0,0|2,0,1]=4 403 B6R0.3 C[C@@H](C(=O)O)NC H60103 [0,1,0,0,0,0|1,0,0]=2 404 B6R0.3 C[C@H](C(=O)O)NC H65840 [0,1,0,0,0,0|1,0,0]=2 405 B6R0.3 C\C(=N/O)\C(=O)C A14339 [0,1,0,0,0,0|2,0,1]=4 406 B6R0.3 C\C=C(/C)\C(=O)C L13548 [0,1,0,0,0,0|0,0,2]=3 407 B6R0.3 C\C=C(/C)\C(=O)O A13905 [0,1,0,0,0,0|0,0,2]=3 408 B6R0.8 CC(C)(CN)CO L10429 [0,1,0,0,0,0|1,0,2]=4 409 B6R0.8 CC(C)(CO)CO A10340 [0,1,0,0,0,0|1,0,2]=4 410 B6R0.8 CC(C)(OC)OC A13810 [0,1,0,0,0,0|3,0,0]=4 411 B6R0.8 CCC(C)(C)CC 43706 [0,1,0,0,0,0|1,0,1]=3 412 B6R0.8 CCC(C)(C=C)O B20893 [0,1,0,0,0,0|1,0,0]=2 413 B6R0.8 C[Si](C)(CCl)C=C L04056 [0,1,0,0,0,0|2,1,0]=4 414 B6R0.9 B(CC)(CC)CC L15109 [0,1,0,0,0,0|2,0,1]=4 415 B6R0.9 B(CC)(CC)OC L15107 [0,1,0,0,0,0|2,0,1]=4 416 B6R0.9 CCC(CC)C=O B23465 [0,1,0,0,0,0|0,0,0]=1 417 B6R0.9 CCC(CC)CBr H26445 [0,1,0,0,0,0|1,0,1]=3 418 B6R0.9 CCC(CC)CN B20855 [0,1,0,0,0,0|1,0,1]=3 419 B6R0.9 CCC(CC)CO B21026 [0,1,0,0,0,0|0,0,2]=3 420 B6R0.9 CCC(CC)C[Zn+] H58054 [0,1,0,0,0,0|1,0,1]=3 421 B6R0.9 CCN(CC)C=O L04503 [0,1,0,0,0,0|1,0,0]=2 422 B6R0.9 CCN(CC)CC 12391 [0,1,0,0,0,0|2,0,1]=4 423 B6R0.9 CCN(CC)CC 42962 [0,1,0,0,0,0|2,0,1]=4 424 B6R0.9 CCN(CC)CC A12646 [0,1,0,0,0,0|2,0,1]=4 425 B6R0.9 CCN(CC)CC A17318 [0,1,0,0,0,0|2,0,1]=4 426 B6R0.9 CCN(CC)CC A17926 [0,1,0,0,0,0|2,0,1]=4 427 B6R0.9 CCN(CC)CC L14417 [0,1,0,0,0,0|2,0,1]=4 428 B6R0.9 CCP(CC)CC 30177 [0,1,0,0,0,0|2,0,1]=4 429 B6R0.9 CCP(CC)CC 39284 [0,1,0,0,0,0|2,0,1]=4 430 B6R0.9 CCP(CC)CC 39823 [0,1,0,0,0,0|2,0,1]=4 431 B6R0.9 CC[Al](CC)CC 43243 [0,1,0,0,0,0|2,0,1]=4 432 B6R0.9 CC[Al](CC)CC 89054 [0,1,0,0,0,0|2,0,1]=4 433 B6R0.9 CC[GeH](CC)CC 43176 [0,1,0,0,0,0|1,1,1]=4 434 B6R0.9 CC[NH+](CC)CC H36155 [0,1,0,0,0,0|2,0,1]=4 435 B6R0.9 CC[O+](CC)CC 42934 [0,1,0,0,0,0|2,0,1]=4 436 B6R0.9 CC[O+](CC)CC A11678 [0,1,0,0,0,0|2,0,1]=4 437 B6R0.9 CC[O+](CC)CC A14420 [0,1,0,0,0,0|2,0,1]=4 438 B6R0.9 CC[S+](CC)CC L00667 [0,1,0,0,0,0|2,0,1]=4 439 B6R0.9 CC[SiH](CC)CC A10320 [0,1,0,0,0,0|1,1,1]=4 440 B6R0.9 CC[Sn+](CC)CC 39601 [0,1,0,0,0,0|2,0,1]=4 441 B6R0.9 CC[Sn+](CC)CC 39622 [0,1,0,0,0,0|2,0,1]=4 442 B6R0.9 CC[Sn+](CC)CC 71135 [0,1,0,0,0,0|2,0,1]=4 443 B6R0.9 COC(C=O)OC L18490 [0,1,0,0,0,0|1,0,0]=2 444 B6R0.9 COC(CBr)OC A11324 [0,1,0,0,0,0|2,0,1]=4 445 B6R0.9 COC(CCl)OC B25049 [0,1,0,0,0,0|2,0,1]=4 446 B6R0.9 COC(CN)OC A15498 [0,1,0,0,0,0|2,0,1]=4 447 B6R0.9 COC(CO)OC L07099 [0,1,0,0,0,0|1,0,2]=4 448 B6R0.9 COC(OC)OC A13760 [0,1,0,0,0,0|3,0,0]=4 449 B6R0.9 [BH-](CC)(CC)CC 42491 [0,1,0,0,0,0|2,0,1]=4 450 B6R0.9 [BH-](CC)(CC)CC 89144 [0,1,0,0,0,0|2,0,1]=4 451 B6R1.2 C1CC(=O)C=C1 B23408 [0,0,0,1,0,0|2,0,1]=4 452 B6R1.2 C1CCC(C1)Br A15455 [0,0,0,1,0,0|2,0,1]=4 453 B6R1.2 C1CCC(C1)Cl B25023 [0,0,0,1,0,0|2,0,1]=4 454 B6R1.2 C1CCC(C1)I L01522 [0,0,0,1,0,0|2,0,1]=4 455 B6R1.2 C1CCC(C1)N L01966 [0,0,0,1,0,0|2,0,1]=4 456 B6R1.2 C1CCC(C1)O A15249 [0,0,0,1,0,0|2,0,1]=4 457 B6R1.2 C1CCC(C1)S 39539 [0,0,0,1,0,0|2,0,1]=4 458 B6R1.2 C1CCC(C1)S L03577 [0,0,0,1,0,0|2,0,1]=4 459 B6R1.2 C1CCC(C1)[Mg+] H51166 [0,0,0,1,0,0|2,0,1]=4 460 B6R1.2 C1CCC(C1)[Zn+] H58764 [0,0,0,1,0,0|2,0,1]=4 461 B6R1.2 C1CNCC1Br H66833 [0,0,0,1,0,0|2,0,1]=4 462 B6R1.2 C1CNCC1O H64975 [0,0,0,1,0,0|2,0,1]=4 463 B6R1.2 C1CNC[C@@H]1F H26947 [0,0,0,1,0,0|2,0,1]=4 464 B6R1.2 C1CNC[C@@H]1N L11173 [0,0,0,1,0,0|2,0,1]=4 465 B6R1.2 C1CNC[C@@H]1O H52743 [0,0,0,1,0,0|2,0,1]=4 466 B6R1.2 C1CNC[C@@H]1O L19499 [0,0,0,1,0,0|2,0,1]=4 467 B6R1.2 C1CNC[C@H]1F H27536 [0,0,0,1,0,0|2,0,1]=4 468 B6R1.2 C1CNC[C@H]1N L12222 [0,0,0,1,0,0|2,0,1]=4 469 B6R1.2 C1CNC[C@H]1N L19500 [0,0,0,1,0,0|2,0,1]=4 470 B6R1.2 C1CNC[C@H]1O H52815 [0,0,0,1,0,0|2,0,1]=4 471 B6R1.2 C1CNC[C@H]1O L19498 [0,0,0,1,0,0|2,0,1]=4 472 B6R1.2 C1COC[C@@H]1O H56307 [0,0,0,1,0,0|1,0,2]=4 473 B6R1.2 C1COC[C@H]1N H66034 [0,0,0,1,0,0|1,0,2]=4 474 B6R1.2 C1COC[C@H]1O H56476 [0,0,0,1,0,0|1,0,2]=4 475 B6R1.2 CC1=CC=CC1 H27241 [0,0,0,1,0,0|1,0,2]=4 476 B6R1.2 CC1=CCC=C1 H27464 [0,0,0,1,0,0|1,0,2]=4 477 B6R1.2 CC1=CCCC1 A18816 [0,0,0,1,0,0|1,0,1]=3 478 B6R1.2 CC1=NCCC1 44853 [0,0,0,1,0,0|2,0,1]=4 479 B6R1.2 CC1CCCC1 L03988 [0,0,0,1,0,0|1,0,1]=3 480 B6R1.2 CC1CCCN1 31902 [0,0,0,1,0,0|2,0,0]=3 481 B6R1.2 CC1CCCO1 L07356 [0,0,0,1,0,0|2,0,0]=3 482 B6R1.2 CC1CCCS1 43456 [0,0,0,1,0,0|2,0,0]=3 483 B6R1.2 CC1NCCS1 B22537 [0,0,0,1,0,0|3,0,0]=4 484 B6R1.2 CC1OCCO1 A12824 [0,0,0,1,0,0|3,0,0]=4 485 B6R1.2 CC1SCCS1 B23372 [0,0,0,1,0,0|3,0,0]=4 486 B6R1.2 CN1CCCC1 B23799 [0,0,0,1,0,0|2,0,1]=4 487 B6R1.2 C[C@@H]1CCCN1 H57885 [0,0,0,1,0,0|2,0,0]=3 488 B6R1.6 C1C(CN1)CO H57801 [0,0,0,1,0,0|1,0,2]=4 489 B6R1.6 C1C(CO1)CN H66510 [0,0,0,1,0,0|1,0,2]=4 490 B6R1.6 C1C(CO1)CO H66333 [0,0,0,1,0,0|1,0,2]=4 491 B6R1.6 C1CC(C1)C#N A10309 [0,0,0,1,0,0|1,0,1]=3 492 B6R1.6 C1CC(C1)CO B21480 [0,0,0,1,0,0|0,0,2]=3 493 B6R1.6 C1COC1CBr H66276 [0,0,0,1,0,0|2,0,1]=4 494 B6R1.6 C1COC1CI H66525 [0,0,0,1,0,0|2,0,1]=4 495 B6R1.6 C1COC1CO H66218 [0,0,0,1,0,0|1,0,2]=4 496 B6R1.6 CNC1COC1 H57425 [0,0,0,1,0,0|1,0,2]=4 497 B6R1.6 COC1CNC1 H57769 [0,0,0,1,0,0|2,0,1]=4 498 B6R1.7 C1CC1(C#N)N H27288 [0,0,0,1,0,0|2,0,1]=4 499 B6R1.7 CC1(CO1)C=C L19768 [0,0,0,1,0,0|2,0,0]=3 500 B6R1.8 CC1CC1CO H27337 [0,0,0,1,0,0|0,0,2]=3 501 B3R0.1 C(=O)C=O A16144 [2,0,0,0,0,0|1,0,1]=4 502 B3R0.1 C(=O)NN A14901 [2,0,0,0,0,0|2,0,0]=4 503 B3R0.1 C(C=O)Cl A11037 [2,0,0,0,0,0|1,0,0]=3 504 B3R0.1 C(C=O)Cl L12701 [2,0,0,0,0,0|1,0,0]=3 505 B3R0.1 C(CBr)Br A12766 [2,0,0,0,0,0|2,0,0]=4 506 B3R0.1 C(CBr)Cl A12349 [2,0,0,0,0,0|2,0,0]=4 507 B3R0.1 C(CBr)N A17625 [2,0,0,0,0,0|2,0,0]=4 508 B3R0.1 C(CBr)O A10275 [2,0,0,0,0,0|1,0,1]=4 509 B3R0.1 C(CCl)Cl 22918 [2,0,0,0,0,0|2,0,0]=4 510 B3R0.1 C(CCl)Cl 32462 [2,0,0,0,0,0|2,0,0]=4 511 B3R0.1 C(CCl)Cl 39121 [2,0,0,0,0,0|2,0,0]=4 512 B3R0.1 C(CCl)Cl A12775 [2,0,0,0,0,0|2,0,0]=4 513 B3R0.1 C(CCl)Cl H37962 [2,0,0,0,0,0|2,0,0]=4 514 B3R0.1 C(CCl)N A14455 [2,0,0,0,0,0|2,0,0]=4 515 B3R0.1 C(CCl)O 36636 [2,0,0,0,0,0|1,0,1]=4 516 B3R0.1 C(CF)O L01735 [2,0,0,0,0,0|1,0,1]=4 517 B3R0.1 C(CI)Cl L10742 [2,0,0,0,0,0|2,0,0]=4 518 B3R0.1 C(CI)I L03019 [2,0,0,0,0,0|2,0,0]=4 519 B3R0.1 C(CI)O A14658 [2,0,0,0,0,0|1,0,1]=4 520 B3R0.1 C(CN)N 10496 [2,0,0,0,0,0|2,0,0]=4 521 B3R0.1 C(CN)N 10497 [2,0,0,0,0,0|2,0,0]=4 522 B3R0.1 C(CN)N 10553 [2,0,0,0,0,0|2,0,0]=4 523 B3R0.1 C(CN)N 24127 [2,0,0,0,0,0|2,0,0]=4 524 B3R0.1 C(CN)N 39280 [2,0,0,0,0,0|2,0,0]=4 525 B3R0.1 C(CN)N 39667 [2,0,0,0,0,0|2,0,0]=4 526 B3R0.1 C(CN)N A12132 [2,0,0,0,0,0|2,0,0]=4 527 B3R0.1 C(CN)N A13563 [2,0,0,0,0,0|2,0,0]=4 528 B3R0.1 C(CN)N A17211 [2,0,0,0,0,0|2,0,0]=4 529 B3R0.1 C(CN)N L12401 [2,0,0,0,0,0|2,0,0]=4 530 B3R0.1 C(CO)N 22793 [2,0,0,0,0,0|1,0,1]=4 531 B3R0.1 C(CO)N 36260 [2,0,0,0,0,0|1,0,1]=4 532 B3R0.1 C(CO)N A11697 [2,0,0,0,0,0|1,0,1]=4 533 B3R0.1 C(CO)N L14322 [2,0,0,0,0,0|1,0,1]=4 534 B3R0.1 C(CO)O 44529 [2,0,0,0,0,0|1,0,1]=4 535 B3R0.1 C(CO)O A11591 [2,0,0,0,0,0|1,0,1]=4 536 B3R0.1 C(CP)P 39279 [2,0,0,0,0,0|2,0,0]=4 537 B3R0.1 C(CS)N A14377 [2,0,0,0,0,0|1,1,0]=4 538 B3R0.1 C(CS)O A15890 [2,0,0,0,0,0|1,0,1]=4 539 B3R0.1 C(CS)S L12865 [2,0,0,0,0,0|1,1,0]=4 540 B3R0.1 C=CC=O 36520 [2,0,0,0,0,0|0,0,2]=4 541 B3R0.1 C=CCBr A11766 [2,0,0,0,0,0|1,0,1]=4 542 B3R0.1 C=CCCl A14330 [2,0,0,0,0,0|1,0,1]=4 543 B3R0.1 C=CCI A11822 [2,0,0,0,0,0|1,0,1]=4 544 B3R0.1 C=CCN L07162 [2,0,0,0,0,0|1,0,1]=4 545 B3R0.1 C=CCO A15026 [2,0,0,0,0,0|1,0,1]=4 546 B3R0.1 C=CCS A13616 [2,0,0,0,0,0|1,0,1]=4 547 B3R0.1 C=CC[Mg+] H51170 [2,0,0,0,0,0|1,0,1]=4 548 B3R0.1 C=CC[Zn+] H58012 [2,0,0,0,0,0|1,0,1]=4 549 B3R0.1 CC#CC A13823 [2,0,0,0,0,0|0,0,2]=4 550 B3R0.1 CCC#N A13203 [2,0,0,0,0,0|1,0,1]=4 551 B3R0.1 CCC=O A16146 [2,0,0,0,0,0|0,0,0]=2 552 B3R0.1 CCCBr A10461 [2,0,0,0,0,0|1,0,0]=3 553 B3R0.1 CCCI A14388 [2,0,0,0,0,0|1,0,0]=3 554 B3R0.1 CCCN 36635 [2,0,0,0,0,0|1,0,0]=3 555 B3R0.1 CCCN A11606 [2,0,0,0,0,0|1,0,0]=3 556 B3R0.1 CCCO 22932 [2,0,0,0,0,0|0,0,1]=3 557 B3R0.1 CCCO 22933 [2,0,0,0,0,0|0,0,1]=3 558 B3R0.1 CCCO 41465 [2,0,0,0,0,0|0,0,1]=3 559 B3R0.1 CCCO 41842 [2,0,0,0,0,0|0,0,1]=3 560 B3R0.1 CCCO 43848 [2,0,0,0,0,0|0,0,1]=3 561 B3R0.1 CCCO A19902 [2,0,0,0,0,0|0,0,1]=3 562 B3R0.1 CCCS 43420 [2,0,0,0,0,0|0,1,0]=3 563 B3R0.1 CCC[Mg+] H51162 [2,0,0,0,0,0|1,0,0]=3 564 B3R0.1 CCC[O-] 22989 [2,0,0,0,0,0|0,0,1]=3 565 B3R0.1 CCC[O-] 36571 [2,0,0,0,0,0|0,0,1]=3 566 B3R0.1 CCC[O-] 44673 [2,0,0,0,0,0|0,0,1]=3 567 B3R0.1 CCC[O-] 44770 [2,0,0,0,0,0|0,0,1]=3 568 B3R0.1 CCC[S-] H66135 [2,0,0,0,0,0|0,1,0]=3 569 B3R0.1 CCC[Zn+] H58119 [2,0,0,0,0,0|1,0,0]=3 570 B3R0.1 CCNC L04372 [2,0,0,0,0,0|1,0,0]=3 571 B3R0.1 CCSC L02859 [2,0,0,0,0,0|1,0,0]=3 572 B3R0.1 CN=C=O L19476 [2,0,0,0,0,0|1,0,1]=4 573 B3R0.1 CNC=O L03908 [2,0,0,0,0,0|1,0,0]=3 574 B3R0.1 CNOC A17469 [2,0,0,0,0,0|2,0,0]=4 575 B3R0.1 COC=O A15850 [2,0,0,0,0,0|1,0,0]=3 576 B3R0.1 COCBr L09837 [2,0,0,0,0,0|2,0,0]=4 577 B3R0.1 CSCCl L10858 [2,0,0,0,0,0|2,0,0]=4 578 B3R0.1 CSSC L09679 [2,0,0,0,0,0|2,0,0]=4 579 B3R0.1 C[Se][Se]C 68119 [2,0,0,0,0,0|2,0,0]=4 580 B3R0.2 B(C)(C)Br 33552 [2,0,0,0,0,0|2,0,0]=4 581 B3R0.2 B(C)(C)C L14994 [2,0,0,0,0,0|1,0,1]=4 582 B3R0.2 CC(=C)Br L14229 [2,0,0,0,0,0|1,0,1]=4 583 B3R0.2 CC(=C)Cl L12374 [2,0,0,0,0,0|1,0,1]=4 584 B3R0.2 CC(=O)Br A12485 [2,0,0,0,0,0|1,0,1]=4 585 B3R0.2 CC(=O)C 19392 [2,0,0,0,0,0|0,0,1]=3 586 B3R0.2 CC(=O)C 22928 [2,0,0,0,0,0|0,0,1]=3 587 B3R0.2 CC(=O)C 30698 [2,0,0,0,0,0|0,0,1]=3 588 B3R0.2 CC(=O)C 32451 [2,0,0,0,0,0|0,0,1]=3 589 B3R0.2 CC(=O)C 43053 [2,0,0,0,0,0|0,0,1]=3 590 B3R0.2 CC(=O)C L10407 [2,0,0,0,0,0|0,0,1]=3 591 B3R0.2 CC(=O)Cl 43262 [2,0,0,0,0,0|1,0,1]=4 592 B3R0.2 CC(=O)Cl H32616 [2,0,0,0,0,0|1,0,1]=4 593 B3R0.2 CC(=O)Cl L14013 [2,0,0,0,0,0|1,0,1]=4 594 B3R0.2 CC(=O)N A12589 [2,0,0,0,0,0|1,0,1]=4 595 B3R0.2 CC(=O)O 10994 [2,0,0,0,0,0|1,0,1]=4 596 B3R0.2 CC(=O)O 33252 [2,0,0,0,0,0|1,0,1]=4 597 B3R0.2 CC(=O)O 35566 [2,0,0,0,0,0|1,0,1]=4 598 B3R0.2 CC(=O)O 35567 [2,0,0,0,0,0|1,0,1]=4 599 B3R0.2 CC(=O)O 35569 [2,0,0,0,0,0|1,0,1]=4 600 B3R0.2 CC(=O)O 35572 [2,0,0,0,0,0|1,0,1]=4 601 B3R0.2 CC(=O)O 36289 [2,0,0,0,0,0|1,0,1]=4 602 B3R0.2 CC(=O)O 39745 [2,0,0,0,0,0|1,0,1]=4 603 B3R0.2 CC(=O)O 88556 [2,0,0,0,0,0|1,0,1]=4 604 B3R0.2 CC(=O)O A11158 [2,0,0,0,0,0|1,0,1]=4 605 B3R0.2 CC(=O)[O-] 10516 [2,0,0,0,0,0|1,0,1]=4 606 B3R0.2 CC(=O)[O-] 11660 [2,0,0,0,0,0|1,0,1]=4 607 B3R0.2 CC(=O)[O-] 12223 [2,0,0,0,0,0|1,0,1]=4 608 B3R0.2 CC(=O)[O-] 12225 [2,0,0,0,0,0|1,0,1]=4 609 B3R0.2 CC(=O)[O-] 12273 [2,0,0,0,0,0|1,0,1]=4 610 B3R0.2 CC(=O)[O-] 12351 [2,0,0,0,0,0|1,0,1]=4 611 B3R0.2 CC(=O)[O-] 12890 [2,0,0,0,0,0|1,0,1]=4 612 B3R0.2 CC(=O)[O-] 14703 [2,0,0,0,0,0|1,0,1]=4 613 B3R0.2 CC(=O)[O-] 17574 [2,0,0,0,0,0|1,0,1]=4 614 B3R0.2 CC(=O)[O-] 18239 [2,0,0,0,0,0|1,0,1]=4 615 B3R0.2 CC(=O)[O-] 19417 [2,0,0,0,0,0|1,0,1]=4 616 B3R0.2 CC(=O)[O-] 22361 [2,0,0,0,0,0|1,0,1]=4 617 B3R0.2 CC(=O)[O-] 30519 [2,0,0,0,0,0|1,0,1]=4 618 B3R0.2 CC(=O)[O-] 39610 [2,0,0,0,0,0|1,0,1]=4 619 B3R0.2 CC(=O)[O-] 39742 [2,0,0,0,0,0|1,0,1]=4 620 B3R0.2 CC(=O)[O-] 41685 [2,0,0,0,0,0|1,0,1]=4 621 B3R0.2 CC(=O)[O-] 43004 [2,0,0,0,0,0|1,0,1]=4 622 B3R0.2 CC(=O)[O-] 43086 [2,0,0,0,0,0|1,0,1]=4 623 B3R0.2 CC(=O)[O-] 44056 [2,0,0,0,0,0|1,0,1]=4 624 B3R0.2 CC(=O)[O-] 44344 [2,0,0,0,0,0|1,0,1]=4 625 B3R0.2 CC(=O)[O-] 44345 [2,0,0,0,0,0|1,0,1]=4 626 B3R0.2 CC(=O)[O-] 44433 [2,0,0,0,0,0|1,0,1]=4 627 B3R0.2 CC(=O)[O-] 44434 [2,0,0,0,0,0|1,0,1]=4 628 B3R0.2 CC(=O)[O-] 47050 [2,0,0,0,0,0|1,0,1]=4 629 B3R0.2 CC(=O)[O-] 87657 [2,0,0,0,0,0|1,0,1]=4 630 B3R0.2 CC(=O)[O-] A10316 [2,0,0,0,0,0|1,0,1]=4 631 B3R0.2 CC(=O)[O-] A11620 [2,0,0,0,0,0|1,0,1]=4 632 B3R0.2 CC(=O)[O-] A11746 [2,0,0,0,0,0|1,0,1]=4 633 B3R0.2 CC(=O)[O-] A12478 [2,0,0,0,0,0|1,0,1]=4 634 B3R0.2 CC(=O)[O-] A12909 [2,0,0,0,0,0|1,0,1]=4 635 B3R0.2 CC(=O)[O-] A13026 [2,0,0,0,0,0|1,0,1]=4 636 B3R0.2 CC(=O)[O-] A13184 [2,0,0,0,0,0|1,0,1]=4 637 B3R0.2 CC(=O)[O-] A14947 [2,0,0,0,0,0|1,0,1]=4 638 B3R0.2 CC(=O)[O-] A15551 [2,0,0,0,0,0|1,0,1]=4 639 B3R0.2 CC(=O)[O-] A16149 [2,0,0,0,0,0|1,0,1]=4 640 B3R0.2 CC(=O)[O-] A16203 [2,0,0,0,0,0|1,0,1]=4 641 B3R0.2 CC(=O)[O-] A16230 [2,0,0,0,0,0|1,0,1]=4 642 B3R0.2 CC(=O)[O-] A16321 [2,0,0,0,0,0|1,0,1]=4 643 B3R0.2 CC(=O)[O-] A16343 [2,0,0,0,0,0|1,0,1]=4 644 B3R0.2 CC(=O)[O-] A16763 [2,0,0,0,0,0|1,0,1]=4 645 B3R0.2 CC(=O)[O-] A17388 [2,0,0,0,0,0|1,0,1]=4 646 B3R0.2 CC(=O)[O-] A17414 [2,0,0,0,0,0|1,0,1]=4 647 B3R0.2 CC(=O)[O-] A17921 [2,0,0,0,0,0|1,0,1]=4 648 B3R0.2 CC(=O)[O-] A18069 [2,0,0,0,0,0|1,0,1]=4 649 B3R0.2 CC(=O)[O-] A18271 [2,0,0,0,0,0|1,0,1]=4 650 B3R0.2 CC(=O)[O-] A18374 [2,0,0,0,0,0|1,0,1]=4 651 B3R0.2 CC(=O)[O-] B23218 [2,0,0,0,0,0|1,0,1]=4 652 B3R0.2 CC(=O)[O-] B23615 [2,0,0,0,0,0|1,0,1]=4 653 B3R0.2 CC(=O)[O-] B23708 [2,0,0,0,0,0|1,0,1]=4 654 B3R0.2 CC(=O)[O-] H33734 [2,0,0,0,0,0|1,0,1]=4 655 B3R0.2 CC(=O)[O-] H34028 [2,0,0,0,0,0|1,0,1]=4 656 B3R0.2 CC(=O)[O-] L15152 [2,0,0,0,0,0|1,0,1]=4 657 B3R0.2 CC(C)Br A12944 [2,0,0,0,0,0|1,0,0]=3 658 B3R0.2 CC(C)Cl L04535 [2,0,0,0,0,0|1,0,0]=3 659 B3R0.2 CC(C)I A15066 [2,0,0,0,0,0|1,0,0]=3 660 B3R0.2 CC(C)N A15044 [2,0,0,0,0,0|1,0,0]=3 661 B3R0.2 CC(C)O 19397 [2,0,0,0,0,0|0,0,1]=3 662 B3R0.2 CC(C)O 22906 [2,0,0,0,0,0|0,0,1]=3 663 B3R0.2 CC(C)O 36644 [2,0,0,0,0,0|0,0,1]=3 664 B3R0.2 CC(C)O 39194 [2,0,0,0,0,0|0,0,1]=3 665 B3R0.2 CC(C)O 40983 [2,0,0,0,0,0|0,0,1]=3 666 B3R0.2 CC(C)O 41463 [2,0,0,0,0,0|0,0,1]=3 667 B3R0.2 CC(C)O 41840 [2,0,0,0,0,0|0,0,1]=3 668 B3R0.2 CC(C)O 45648 [2,0,0,0,0,0|0,0,1]=3 669 B3R0.2 CC(C)O 45657 [2,0,0,0,0,0|0,0,1]=3 670 B3R0.2 CC(C)O 86118 [2,0,0,0,0,0|0,0,1]=3 671 B3R0.2 CC(C)O L10181 [2,0,0,0,0,0|0,0,1]=3 672 B3R0.2 CC(C)S 43422 [2,0,0,0,0,0|0,1,0]=3 673 B3R0.2 CC(C)[Mg+] 47257 [2,0,0,0,0,0|1,0,0]=3 674 B3R0.2 CC(C)[Mg+] 47266 [2,0,0,0,0,0|1,0,0]=3 675 B3R0.2 CC(C)[Mg+] 47273 [2,0,0,0,0,0|1,0,0]=3 676 B3R0.2 CC(C)[Mg+] H51155 [2,0,0,0,0,0|1,0,0]=3 677 B3R0.2 CC(C)[Mg+] H54840 [2,0,0,0,0,0|1,0,0]=3 678 B3R0.2 CC(C)[O-] 14007 [2,0,0,0,0,0|0,0,1]=3 679 B3R0.2 CC(C)[O-] 14477 [2,0,0,0,0,0|0,0,1]=3 680 B3R0.2 CC(C)[O-] 14481 [2,0,0,0,0,0|0,0,1]=3 681 B3R0.2 CC(C)[O-] 14523 [2,0,0,0,0,0|0,0,1]=3 682 B3R0.2 CC(C)[O-] 14524 [2,0,0,0,0,0|0,0,1]=3 683 B3R0.2 CC(C)[O-] 14616 [2,0,0,0,0,0|0,0,1]=3 684 B3R0.2 CC(C)[O-] 16352 [2,0,0,0,0,0|0,0,1]=3 685 B3R0.2 CC(C)[O-] 22982 [2,0,0,0,0,0|0,0,1]=3 686 B3R0.2 CC(C)[O-] 35794 [2,0,0,0,0,0|0,0,1]=3 687 B3R0.2 CC(C)[O-] 35821 [2,0,0,0,0,0|0,0,1]=3 688 B3R0.2 CC(C)[O-] 36563 [2,0,0,0,0,0|0,0,1]=3 689 B3R0.2 CC(C)[O-] 36565 [2,0,0,0,0,0|0,0,1]=3 690 B3R0.2 CC(C)[O-] 36572 [2,0,0,0,0,0|0,0,1]=3 691 B3R0.2 CC(C)[O-] 36573 [2,0,0,0,0,0|0,0,1]=3 692 B3R0.2 CC(C)[O-] 36579 [2,0,0,0,0,0|0,0,1]=3 693 B3R0.2 CC(C)[O-] 36582 [2,0,0,0,0,0|0,0,1]=3 694 B3R0.2 CC(C)[O-] 36583 [2,0,0,0,0,0|0,0,1]=3 695 B3R0.2 CC(C)[O-] 36585 [2,0,0,0,0,0|0,0,1]=3 696 B3R0.2 CC(C)[O-] 36589 [2,0,0,0,0,0|0,0,1]=3 697 B3R0.2 CC(C)[O-] 36590 [2,0,0,0,0,0|0,0,1]=3 698 B3R0.2 CC(C)[O-] 36591 [2,0,0,0,0,0|0,0,1]=3 699 B3R0.2 CC(C)[O-] 36593 [2,0,0,0,0,0|0,0,1]=3 700 B3R0.2 CC(C)[O-] 36594 [2,0,0,0,0,0|0,0,1]=3 701 B3R0.2 CC(C)[O-] 36613 [2,0,0,0,0,0|0,0,1]=3 702 B3R0.2 CC(C)[O-] 39153 [2,0,0,0,0,0|0,0,1]=3 703 B3R0.2 CC(C)[O-] 39159 [2,0,0,0,0,0|0,0,1]=3 704 B3R0.2 CC(C)[O-] 39162 [2,0,0,0,0,0|0,0,1]=3 705 B3R0.2 CC(C)[O-] 39165 [2,0,0,0,0,0|0,0,1]=3 706 B3R0.2 CC(C)[O-] 39167 [2,0,0,0,0,0|0,0,1]=3 707 B3R0.2 CC(C)[O-] 39320 [2,0,0,0,0,0|0,0,1]=3 708 B3R0.2 CC(C)[O-] 39579 [2,0,0,0,0,0|0,0,1]=3 709 B3R0.2 CC(C)[O-] 40038 [2,0,0,0,0,0|0,0,1]=3 710 B3R0.2 CC(C)[O-] 40247 [2,0,0,0,0,0|0,0,1]=3 711 B3R0.2 CC(C)[O-] 40520 [2,0,0,0,0,0|0,0,1]=3 712 B3R0.2 CC(C)[O-] 41046 [2,0,0,0,0,0|0,0,1]=3 713 B3R0.2 CC(C)[O-] 41047 [2,0,0,0,0,0|0,0,1]=3 714 B3R0.2 CC(C)[O-] 41262 [2,0,0,0,0,0|0,0,1]=3 715 B3R0.2 CC(C)[O-] 41269 [2,0,0,0,0,0|0,0,1]=3 716 B3R0.2 CC(C)[O-] 41271 [2,0,0,0,0,0|0,0,1]=3 717 B3R0.2 CC(C)[O-] 41311 [2,0,0,0,0,0|0,0,1]=3 718 B3R0.2 CC(C)[O-] 41338 [2,0,0,0,0,0|0,0,1]=3 719 B3R0.2 CC(C)[O-] 41377 [2,0,0,0,0,0|0,0,1]=3 720 B3R0.2 CC(C)[O-] 41484 [2,0,0,0,0,0|0,0,1]=3 721 B3R0.2 CC(C)[O-] 41836 [2,0,0,0,0,0|0,0,1]=3 722 B3R0.2 CC(C)[O-] 41843 [2,0,0,0,0,0|0,0,1]=3 723 B3R0.2 CC(C)[O-] 41971 [2,0,0,0,0,0|0,0,1]=3 724 B3R0.2 CC(C)[O-] 42098 [2,0,0,0,0,0|0,0,1]=3 725 B3R0.2 CC(C)[O-] 42277 [2,0,0,0,0,0|0,0,1]=3 726 B3R0.2 CC(C)[O-] 42302 [2,0,0,0,0,0|0,0,1]=3 727 B3R0.2 CC(C)[O-] 42375 [2,0,0,0,0,0|0,0,1]=3 728 B3R0.2 CC(C)[O-] 42376 [2,0,0,0,0,0|0,0,1]=3 729 B3R0.2 CC(C)[O-] 42673 [2,0,0,0,0,0|0,0,1]=3 730 B3R0.2 CC(C)[O-] 42810 [2,0,0,0,0,0|0,0,1]=3 731 B3R0.2 CC(C)[O-] 42839 [2,0,0,0,0,0|0,0,1]=3 732 B3R0.2 CC(C)[O-] 42840 [2,0,0,0,0,0|0,0,1]=3 733 B3R0.2 CC(C)[O-] 42930 [2,0,0,0,0,0|0,0,1]=3 734 B3R0.2 CC(C)[O-] 43024 [2,0,0,0,0,0|0,0,1]=3 735 B3R0.2 CC(C)[O-] 43175 [2,0,0,0,0,0|0,0,1]=3 736 B3R0.2 CC(C)[O-] 43938 [2,0,0,0,0,0|0,0,1]=3 737 B3R0.2 CC(C)[O-] 44451 [2,0,0,0,0,0|0,0,1]=3 738 B3R0.2 CC(C)[O-] 44468 [2,0,0,0,0,0|0,0,1]=3 739 B3R0.2 CC(C)[O-] 44474 [2,0,0,0,0,0|0,0,1]=3 740 B3R0.2 CC(C)[O-] 44562 [2,0,0,0,0,0|0,0,1]=3 741 B3R0.2 CC(C)[O-] 44873 [2,0,0,0,0,0|0,0,1]=3 742 B3R0.2 CC(C)[O-] 45480 [2,0,0,0,0,0|0,0,1]=3 743 B3R0.2 CC(C)[O-] 45651 [2,0,0,0,0,0|0,0,1]=3 744 B3R0.2 CC(C)[O-] 77115 [2,0,0,0,0,0|0,0,1]=3 745 B3R0.2 CC(C)[O-] 89446 [2,0,0,0,0,0|0,0,1]=3 746 B3R0.2 CC(C)[O-] 89798 [2,0,0,0,0,0|0,0,1]=3 747 B3R0.2 CC(C)[O-] A13703 [2,0,0,0,0,0|0,0,1]=3 748 B3R0.2 CC(C)[Zn+] H58536 [2,0,0,0,0,0|1,0,0]=3 749 B3R0.2 CC(Cl)Br L01910 [2,0,0,0,0,0|2,0,0]=4 750 B3R0.2 CN(C)C 42964 [2,0,0,0,0,0|1,0,1]=4 751 B3R0.2 CN(C)C 43282 [2,0,0,0,0,0|1,0,1]=4 752 B3R0.2 CN(C)C H27324 [2,0,0,0,0,0|1,0,1]=4 753 B3R0.2 CN(C)C H32899 [2,0,0,0,0,0|1,0,1]=4 754 B3R0.2 CN(C)C L00302 [2,0,0,0,0,0|1,0,1]=4 755 B3R0.2 CN(C)C L04718 [2,0,0,0,0,0|1,0,1]=4 756 B3R0.2 CP(C)C 30143 [2,0,0,0,0,0|1,0,1]=4 757 B3R0.2 CP(C)Cl 30160 [2,0,0,0,0,0|2,0,0]=4 758 B3R0.2 CS(=O)C 22914 [2,0,0,0,0,0|1,0,0]=3 759 B3R0.2 CS(=O)C 32434 [2,0,0,0,0,0|1,0,0]=3 760 B3R0.2 CS(=O)C 36480 [2,0,0,0,0,0|1,0,0]=3 761 B3R0.2 CS(=O)C 42780 [2,0,0,0,0,0|1,0,0]=3 762 B3R0.2 CS(=O)C 43998 [2,0,0,0,0,0|1,0,0]=3 763 B3R0.2 CS(=O)C A13280 [2,0,0,0,0,0|1,0,0]=3 764 B3R0.2 CS(=O)[O-] L11360 [2,0,0,0,0,0|2,0,0]=4 765 B3R0.2 C[Al](C)C 42836 [2,0,0,0,0,0|1,0,1]=4 766 B3R0.2 C[N+](=C)C A15146 [2,0,0,0,0,0|1,0,0]=3 767 B3R0.2 C[N+](=O)[O-] A11806 [2,0,0,0,0,0|2,0,0]=4 768 B3R0.2 C[Pt+](C)C 39286 [2,0,0,0,0,0|1,0,1]=4 769 B3R0.2 C[S+](C)C A12639 [2,0,0,0,0,0|1,0,1]=4 770 B3R0.2 C[S+](C)C B25098 [2,0,0,0,0,0|1,0,1]=4 771 B3R0.2 C[SiH](C)Cl A13113 [2,0,0,0,0,0|1,1,0]=4 772 B3R0.2 C[Sn+](C)C 71153 [2,0,0,0,0,0|1,0,1]=4 773 B3R0.2 C[Sn+](C)C 71166 [2,0,0,0,0,0|1,0,1]=4 774 B3R0.2 C[Sn+](C)C 71167 [2,0,0,0,0,0|1,0,1]=4 775 B3R0.2 C[Sn+](C)C H59406 [2,0,0,0,0,0|1,0,1]=4 776 B5R0.1 C(CBr)C(=O)Cl A10846 [1,1,0,0,0,0|1,0,1]=4 777 B5R0.1 C(CBr)C(=O)O A11573 [1,1,0,0,0,0|1,0,1]=4 778 B5R0.1 C(CCl)C(=O)Cl B25698 [1,1,0,0,0,0|1,0,1]=4 779 B5R0.1 C(CCl)C(=O)O B21744 [1,1,0,0,0,0|1,0,1]=4 780 B5R0.1 C(CI)C(=O)O L02655 [1,1,0,0,0,0|1,0,1]=4 781 B5R0.1 C(CN)C(=O)N H65365 [1,1,0,0,0,0|1,0,1]=4 782 B5R0.1 C(CN)C(=O)O A16665 [1,1,0,0,0,0|1,0,1]=4 783 B5R0.1 C(CO)[N+](=O)[O-] A17681 [1,1,0,0,0,0|2,0,0]=4 784 B5R0.1 C(CS)C(=O)O A13261 [1,1,0,0,0,0|1,0,1]=4 785 B5R0.1 C=C(CCO)Br H34119 [1,1,0,0,0,0|1,0,1]=4 786 B5R0.1 CC#CC(C)C H53442 [1,1,0,0,0,0|0,0,2]=4 787 B5R0.1 CC(=C)CCO B23398 [1,1,0,0,0,0|0,0,1]=3 788 B5R0.1 CC(=CC=O)C B22226 [1,1,0,0,0,0|0,0,1]=3 789 B5R0.1 CC(=CCBr)C A13388 [1,1,0,0,0,0|1,0,1]=4 790 B5R0.1 CC(=CCCl)C A16545 [1,1,0,0,0,0|1,0,1]=4 791 B5R0.1 CC(=CCO)C A16089 [1,1,0,0,0,0|0,0,2]=4 792 B5R0.1 CC(=CCO)C H36436 [1,1,0,0,0,0|0,0,2]=4 793 B5R0.1 CC(=O)CC#N H64536 [1,1,0,0,0,0|0,0,2]=4 794 B5R0.1 CC(=O)CCO L11456 [1,1,0,0,0,0|0,0,1]=3 795 B5R0.1 CC(=O)CSC B24149 [1,1,0,0,0,0|0,0,1]=3 796 B5R0.1 CC(=O)NCO A13820 [1,1,0,0,0,0|1,0,1]=4 797 B5R0.1 CC(=O)OCBr H56755 [1,1,0,0,0,0|1,0,1]=4 798 B5R0.1 CC(C)CC#C L05537 [1,1,0,0,0,0|0,0,2]=4 799 B5R0.1 CC(C)CC=C 33029 [1,1,0,0,0,0|1,0,0]=3 800 B5R0.1 CC(C)CC=C L03372 [1,1,0,0,0,0|1,0,0]=3 801 B5R0.1 CC(C)CC=O A19640 [1,1,0,0,0,0|0,0,0]=2 802 B5R0.1 CC(C)CCBr A14492 [1,1,0,0,0,0|0,0,1]=3 803 B5R0.1 CC(C)CCCl L11371 [1,1,0,0,0,0|0,0,1]=3 804 B5R0.1 CC(C)CCI L05194 [1,1,0,0,0,0|0,0,1]=3 805 B5R0.1 CC(C)CCN L02260 [1,1,0,0,0,0|0,0,1]=3 806 B5R0.1 CC(C)CCO 36716 [1,1,0,0,0,0|0,0,1]=3 807 B5R0.1 CC(C)CCO L13660 [1,1,0,0,0,0|0,0,1]=3 808 B5R0.1 CC(C)CCS L09661 [1,1,0,0,0,0|0,0,1]=3 809 B5R0.1 CC(C)CC[Zn+] H58436 [1,1,0,0,0,0|0,0,1]=3 810 B5R0.1 CC(C)CNC 42947 [1,1,0,0,0,0|0,0,1]=3 811 B5R0.1 CC(C)CNN H64287 [1,1,0,0,0,0|1,0,1]=4 812 B5R0.1 CC(C)N=C=O L16105 [1,1,0,0,0,0|0,0,1]=3 813 B5R0.1 CC(C)N=C=S A11641 [1,1,0,0,0,0|0,1,1]=4 814 B5R0.1 CC(C)OC=O A17222 [1,1,0,0,0,0|0,0,0]=2 815 B5R0.1 CC(CC#C)O L02752 [1,1,0,0,0,0|0,0,2]=4 816 B5R0.1 CC(CC=C)O B20208 [1,1,0,0,0,0|0,0,2]=4 817 B5R0.1 CC(CCBr)Br B24123 [1,1,0,0,0,0|1,0,0]=3 818 B5R0.1 CC(CCO)O A11684 [1,1,0,0,0,0|0,0,1]=3 819 B5R0.1 CC(COC)O 41547 [1,1,0,0,0,0|0,0,1]=3 820 B5R0.1 CC(COC)O L12694 [1,1,0,0,0,0|0,0,1]=3 821 B5R0.1 CC(COC)[O-] 41257 [1,1,0,0,0,0|0,0,1]=3 822 B5R0.1 CCCC(=C)C H53373 [1,1,0,0,0,0|0,0,1]=3 823 B5R0.1 CCCC(=O)C L13262 [1,1,0,0,0,0|0,0,1]=3 824 B5R0.1 CCCC(=O)Cl A17575 [1,1,0,0,0,0|1,0,1]=4 825 B5R0.1 CCCC(=O)N A12494 [1,1,0,0,0,0|1,0,1]=4 826 B5R0.1 CCCC(=O)O L13189 [1,1,0,0,0,0|1,0,1]=4 827 B5R0.1 CCCC(=O)[O-] A11079 [1,1,0,0,0,0|1,0,1]=4 828 B5R0.1 CCCC(C)Br A17205 [1,1,0,0,0,0|1,0,0]=3 829 B5R0.1 CCCC(C)C L03001 [1,1,0,0,0,0|0,0,1]=3 830 B5R0.1 CCCC(C)O B21217 [1,1,0,0,0,0|0,0,1]=3 831 B5R0.1 CCCC(C)[Zn+] H58078 [1,1,0,0,0,0|1,0,0]=3 832 B5R0.1 CCC[C@H](C)O L09314 [1,1,0,0,0,0|0,0,1]=3 833 B5R0.1 CCC[N+](=O)[O-] A11975 [1,1,0,0,0,0|2,0,0]=4 834 B5R0.1 CCNC(=O)C L10300 [1,1,0,0,0,0|0,0,1]=3 835 B5R0.1 CCNC(=O)N B24040 [1,1,0,0,0,0|1,0,1]=4 836 B5R0.1 CCNC(C)C L04089 [1,1,0,0,0,0|0,0,1]=3 837 B5R0.1 CCOC(=N)C A18618 [1,1,0,0,0,0|1,0,1]=4 838 B5R0.1 CCOC(=O)C 22912 [1,1,0,0,0,0|0,0,1]=3 839 B5R0.1 CCOC(=O)C 31344 [1,1,0,0,0,0|0,0,1]=3 840 B5R0.1 CCOC(=O)C 39177 [1,1,0,0,0,0|0,0,1]=3 841 B5R0.1 CCOC(=O)C 40977 [1,1,0,0,0,0|0,0,1]=3 842 B5R0.1 CCOC(=O)C L10925 [1,1,0,0,0,0|0,0,1]=3 843 B5R0.1 CCOC(=O)Cl L06311 [1,1,0,0,0,0|1,0,1]=4 844 B5R0.1 CCOC(=O)N 44804 [1,1,0,0,0,0|1,0,1]=4 845 B5R0.1 CCO[SiH](C)C L16475 [1,1,0,0,0,0|0,1,1]=4 846 B5R0.1 CCO[SiH](C)C L16476 [1,1,0,0,0,0|0,1,1]=4 847 B5R0.1 CCSC(=O)C A10680 [1,1,0,0,0,0|0,0,1]=3 848 B5R0.1 CN(C)CCCl A15134 [1,1,0,0,0,0|1,0,1]=4 849 B5R0.1 CN(C)CCN B20182 [1,1,0,0,0,0|1,0,1]=4 850 B5R0.1 CN(C)CCO B23616 [1,1,0,0,0,0|1,0,1]=4 851 B5R0.1 CNCC(=O)N H65993 [1,1,0,0,0,0|1,0,1]=4 852 B5R0.1 CNCC(=O)O A14594 [1,1,0,0,0,0|1,0,1]=4 853 B5R0.1 CNCC(=O)O B25536 [1,1,0,0,0,0|1,0,1]=4 854 B5R0.1 COCC(=O)Cl L03210 [1,1,0,0,0,0|1,0,1]=4 855 B5R0.1 COCC(=O)O B22917 [1,1,0,0,0,0|1,0,1]=4 856 B5R0.1 CSCC(=O)O B22531 [1,1,0,0,0,0|1,0,1]=4 857 B5R0.1 CSCS(=O)C L00510 [1,1,0,0,0,0|1,0,0]=3 858 B5R0.1 C[C@@H](CC=C)O B25728 [1,1,0,0,0,0|0,0,2]=4 859 B5R0.1 C[C@@H](COC)N L16325 [1,1,0,0,0,0|1,0,0]=3 860 B5R0.1 C[C@H](CC=C)O B25659 [1,1,0,0,0,0|0,0,2]=4 861 B5R0.1 C[C@H](CCO)O B25124 [1,1,0,0,0,0|0,0,1]=3 862 B5R0.1 C\C=C\C(=O)C L13031 [1,1,0,0,0,0|0,0,2]=4 863 B5R0.4 C(=O)C(F)(F)F A13234 [1,1,0,0,0,0|2,0,0]=4 864 B5R0.4 CC(C)(C#C)Cl B25252 [1,1,0,0,0,0|1,0,1]=4 865 B5R0.4 CC(C)(C#C)N H53448 [1,1,0,0,0,0|1,0,1]=4 866 B5R0.4 CC(C)(C#C)O L07593 [1,1,0,0,0,0|1,0,1]=4 867 B5R0.4 CC(C)(C)C#C A14013 [1,1,0,0,0,0|1,0,1]=4 868 B5R0.4 CC(C)(C)C#N A12011 [1,1,0,0,0,0|1,0,1]=4 869 B5R0.4 CC(C)(C)C=C L08693 [1,1,0,0,0,0|1,0,0]=3 870 B5R0.4 CC(C)(C)C=O A15013 [1,1,0,0,0,0|0,0,0]=2 871 B5R0.4 CC(C)(C)C=O B21393 [1,1,0,0,0,0|0,0,0]=2 872 B5R0.4 CC(C)(C)CBr L03579 [1,1,0,0,0,0|1,0,1]=4 873 B5R0.4 CC(C)(C)CCl L02365 [1,1,0,0,0,0|1,0,1]=4 874 B5R0.4 CC(C)(C)CO A14390 [1,1,0,0,0,0|0,0,2]=4 875 B5R0.4 CC(C)(C)C[Mg+] H54879 [1,1,0,0,0,0|1,0,1]=4 876 B5R0.4 CC(C)(C)NC H27242 [1,1,0,0,0,0|1,0,1]=4 877 B5R0.4 CC(C)(C)NN B23876 [1,1,0,0,0,0|2,0,0]=4 878 B5R0.4 CC(C)(C)OC 40477 [1,1,0,0,0,0|1,0,1]=4 879 B5R0.4 CC(C)(C)OC 41839 [1,1,0,0,0,0|1,0,1]=4 880 B5R0.4 CC(C)(C)OC L14030 [1,1,0,0,0,0|1,0,1]=4 881 B5R0.4 CC(C)(C)OO A13926 [1,1,0,0,0,0|1,0,1]=4 882 B5R0.4 CC(C)(C)SC B22390 [1,1,0,0,0,0|1,0,1]=4 883 B5R0.4 CC(C)(C)[N+]#[C-] L19747 [1,1,0,0,0,0|2,0,0]=4 884 B5R0.4 CC(C)(C=C)O B20790 [1,1,0,0,0,0|1,0,0]=3 885 B5R0.4 CC(C)(CCl)Br A19974 [1,1,0,0,0,0|1,0,1]=4 886 B5R0.4 CC(C)(CCl)O A18978 [1,1,0,0,0,0|1,0,1]=4 887 B5R0.4 CC(C)(CO)N A17814 [1,1,0,0,0,0|0,0,2]=4 888 B5R0.4 CCC(C)(C)C L03295 [1,1,0,0,0,0|0,0,1]=3 889 B5R0.4 CCC(C)(C)Cl A11703 [1,1,0,0,0,0|0,0,1]=3 890 B5R0.4 CCC(C)(C)N B24639 [1,1,0,0,0,0|0,0,1]=3 891 B5R0.4 CCC(C)(C)O A18304 [1,1,0,0,0,0|0,0,1]=3 892 B5R0.4 CCC(C)(C)[Mg+] H54824 [1,1,0,0,0,0|0,0,1]=3 893 B5R0.4 CCC(C)(C)[O-] 36562 [1,1,0,0,0,0|0,0,1]=3 894 B5R0.4 CCC(C)(C)[O-] 41203 [1,1,0,0,0,0|0,0,1]=3 895 B5R0.4 CCC(C)(C)[O-] 41394 [1,1,0,0,0,0|0,0,1]=3 896 B5R0.4 CCC(C)(C)[O-] L15111 [1,1,0,0,0,0|0,0,1]=3 897 B5R0.4 CCC(C)(C)[O-] L15112 [1,1,0,0,0,0|0,0,1]=3 898 B5R0.4 CCC(C)(C)[Zn+] H58312 [1,1,0,0,0,0|0,0,1]=3 899 B5R0.4 CCP(=O)(Cl)Cl A17869 [1,1,0,0,0,0|2,0,0]=4 900 B5R0.4 CCP(=O)(O)O B22559 [1,1,0,0,0,0|2,0,0]=4 901 B5R0.4 CCS(=O)(=O)Cl B23723 [1,1,0,0,0,0|2,0,0]=4 902 B5R0.4 CCS(=O)(=O)O 14891 [1,1,0,0,0,0|2,0,0]=4 903 B5R0.4 CCS(=O)(=O)O L02270 [1,1,0,0,0,0|2,0,0]=4 904 B5R0.4 CCS(=O)(=O)[O-] B21824 [1,1,0,0,0,0|2,0,0]=4 905 B5R0.4 CC[Si](C)(C)Cl A13222 [1,1,0,0,0,0|0,1,1]=4 906 B5R0.4 CC[Si](C)(Cl)Cl L16493 [1,1,0,0,0,0|1,1,0]=4 907 B5R0.4 COS(=O)(=O)C H55120 [1,1,0,0,0,0|2,0,0]=4 908 B5R0.4 C[Si](C)(C)C=C L02498 [1,1,0,0,0,0|1,1,0]=4 909 B5R0.4 C[Si](C)(C)C=C L16989 [1,1,0,0,0,0|1,1,0]=4 910 B5R0.4 C[Si](C)(C=C)Cl L16198 [1,1,0,0,0,0|1,1,0]=4 911 B5R0.5 B(C(C)C)(O)O L19962 [1,1,0,0,0,0|1,0,1]=4 912 B5R0.5 C(C(=O)Cl)(Cl)Cl B22296 [1,1,0,0,0,0|2,0,0]=4 913 B5R0.5 C(C(=O)N)(Cl)Cl L00315 [1,1,0,0,0,0|2,0,0]=4 914 B5R0.5 C(C(=O)O)(Cl)Cl 31249 [1,1,0,0,0,0|2,0,0]=4 915 B5R0.5 C(C(=O)O)(Cl)Cl A14740 [1,1,0,0,0,0|2,0,0]=4 916 B5R0.5 C(C(=O)O)(F)F A12787 [1,1,0,0,0,0|2,0,0]=4 917 B5R0.5 C(C(=O)[O-])(Cl)Cl B21827 [1,1,0,0,0,0|2,0,0]=4 918 B5R0.5 CC(=C(C)C)C A13201 [1,1,0,0,0,0|1,0,1]=4 919 B5R0.5 CC(=C)C(=C)C L04207 [1,1,0,0,0,0|0,0,2]=4 920 B5R0.5 CC(=C)C(=O)Cl L14511 [1,1,0,0,0,0|0,0,2]=4 921 B5R0.5 CC(=C)C(=O)N L15013 [1,1,0,0,0,0|0,0,2]=4 922 B5R0.5 CC(=C)C(=O)O 15546 [1,1,0,0,0,0|0,0,2]=4 923 B5R0.5 CC(=C)C(=O)O A11543 [1,1,0,0,0,0|0,0,2]=4 924 B5R0.5 CC(=C)C(=O)[O-] 41569 [1,1,0,0,0,0|0,0,2]=4 925 B5R0.5 CC(=C)C(=O)[O-] 41621 [1,1,0,0,0,0|0,0,2]=4 926 B5R0.5 CC(=C)C(=O)[O-] L09272 [1,1,0,0,0,0|0,0,2]=4 927 B5R0.5 CC(=O)C(=O)C A14217 [1,1,0,0,0,0|0,0,2]=4 928 B5R0.5 CC(=O)C(=O)O A13875 [1,1,0,0,0,0|1,0,1]=4 929 B5R0.5 CC(=O)C(=O)[O-] A11148 [1,1,0,0,0,0|1,0,1]=4 930 B5R0.5 CC(=O)C(=O)[O-] A16308 [1,1,0,0,0,0|1,0,1]=4 931 B5R0.5 CC(=O)C(=O)[O-] B25204 [1,1,0,0,0,0|1,0,1]=4 932 B5R0.5 CC(=O)C(Cl)Cl L10367 [1,1,0,0,0,0|1,0,1]=4 933 B5R0.5 CC(=O)N(C)C 22916 [1,1,0,0,0,0|1,0,0]=3 934 B5R0.5 CC(=O)N(C)C 44913 [1,1,0,0,0,0|1,0,0]=3 935 B5R0.5 CC(=O)N(C)C A10924 [1,1,0,0,0,0|1,0,0]=3 936 B5R0.5 CC(=S)N(C)C B20020 [1,1,0,0,0,0|1,1,0]=4 937 B5R0.5 CC(C(=O)Br)Br B22504 [1,1,0,0,0,0|1,0,0]=3 938 B5R0.5 CC(C(=O)C)Br A10186 [1,1,0,0,0,0|0,0,1]=3 939 B5R0.5 CC(C(=O)C)Cl L14158 [1,1,0,0,0,0|0,0,1]=3 940 B5R0.5 CC(C(=O)C)O A13752 [1,1,0,0,0,0|0,0,1]=3 941 B5R0.5 CC(C(=O)C)S B22494 [1,1,0,0,0,0|0,0,1]=3 942 B5R0.5 CC(C(=O)Cl)Br B23662 [1,1,0,0,0,0|1,0,0]=3 943 B5R0.5 CC(C(=O)Cl)Cl B24503 [1,1,0,0,0,0|1,0,0]=3 944 B5R0.5 CC(C(=O)O)Br A17569 [1,1,0,0,0,0|1,0,0]=3 945 B5R0.5 CC(C(=O)O)Cl A12860 [1,1,0,0,0,0|1,0,0]=3 946 B5R0.5 CC(C(=O)O)F H25841 [1,1,0,0,0,0|1,0,0]=3 947 B5R0.5 CC(C(=O)O)N A12230 [1,1,0,0,0,0|1,0,0]=3 948 B5R0.5 CC(C(=O)O)O 36415 [1,1,0,0,0,0|1,0,0]=3 949 B5R0.5 CC(C(=O)O)O L14259 [1,1,0,0,0,0|1,0,0]=3 950 B5R0.5 CC(C(=O)O)S L10257 [1,1,0,0,0,0|1,0,0]=3 951 B5R0.5 CC(C(=O)[O-])O 20835 [1,1,0,0,0,0|1,0,0]=3 952 B5R0.5 CC(C(=O)[O-])O 39122 [1,1,0,0,0,0|1,0,0]=3 953 B5R0.5 CC(C(=O)[O-])O 39369 [1,1,0,0,0,0|1,0,0]=3 954 B5R0.5 CC(C(=O)[O-])O 41529 [1,1,0,0,0,0|1,0,0]=3 955 B5R0.5 CC(C(=O)[O-])O 44858 [1,1,0,0,0,0|1,0,0]=3 956 B5R0.5 CC(C(=O)[O-])O B23643 [1,1,0,0,0,0|1,0,0]=3 957 B5R0.5 CC(C(=O)[O-])[O-] 42676 [1,1,0,0,0,0|1,0,0]=3 958 B5R0.5 CC(C(C)Br)Br A10219 [1,1,0,0,0,0|1,0,0]=3 959 B5R0.5 CC(C(C)Cl)Cl B21386 [1,1,0,0,0,0|1,0,0]=3 960 B5R0.5 CC(C(C)O)O H66369 [1,1,0,0,0,0|0,0,1]=3 961 B5R0.5 CC(C)C(=C)C L05675 [1,1,0,0,0,0|0,0,1]=3 962 B5R0.5 CC(C)C(=O)C B24527 [1,1,0,0,0,0|0,0,0]=2 963 B5R0.5 CC(C)C(=O)Cl B24472 [1,1,0,0,0,0|0,0,0]=2 964 B5R0.5 CC(C)C(=O)N B21641 [1,1,0,0,0,0|0,0,0]=2 965 B5R0.5 CC(C)C(=O)O L04038 [1,1,0,0,0,0|0,0,0]=2 966 B5R0.5 CC(C)C(=O)[O-] 39372 [1,1,0,0,0,0|0,0,0]=2 967 B5R0.5 CC(C)C(=O)[O-] 46786 [1,1,0,0,0,0|0,0,0]=2 968 B5R0.5 CC(C)C(=S)N H64663 [1,1,0,0,0,0|0,1,0]=3 969 B5R0.5 CC(C)C(C)C 43142 [1,1,0,0,0,0|0,0,1]=3 970 B5R0.5 CC(C)C(C)C B22223 [1,1,0,0,0,0|0,0,1]=3 971 B5R0.5 CC(C)C(C)N L02948 [1,1,0,0,0,0|0,0,1]=3 972 B5R0.5 CC(C)C(C)O L05347 [1,1,0,0,0,0|0,0,1]=3 973 B5R0.5 CC(C)C(C)S B22330 [1,1,0,0,0,0|0,0,1]=3 974 B5R0.5 CN(C)C(=O)Cl L03415 [1,1,0,0,0,0|1,0,0]=3 975 B5R0.5 CN(C)C(=O)N L05065 [1,1,0,0,0,0|1,0,0]=3 976 B5R0.5 CN(C)C(=S)Cl H60104 [1,1,0,0,0,0|1,1,0]=4 977 B5R0.5 C[C@@H](C(=O)N)N H63019 [1,1,0,0,0,0|1,0,0]=3 978 B5R0.5 C[C@@H](C(=O)O)Cl L09427 [1,1,0,0,0,0|1,0,0]=3 979 B5R0.5 C[C@@H](C(=O)O)N A15804 [1,1,0,0,0,0|1,0,0]=3 980 B5R0.5 C[C@@H](C(=O)O)O A17268 [1,1,0,0,0,0|1,0,0]=3 981 B5R0.5 C[C@@H](C(=O)O)O L13242 [1,1,0,0,0,0|1,0,0]=3 982 B5R0.5 C[C@@H](C(=O)[O-])O A11818 [1,1,0,0,0,0|1,0,0]=3 983 B5R0.5 C[C@@H](C(=O)[O-])O L14500 [1,1,0,0,0,0|1,0,0]=3 984 B5R0.5 C[C@@H](C(C)C)N L16332 [1,1,0,0,0,0|0,0,1]=3 985 B5R0.5 C[C@@H](C(C)C)O L09431 [1,1,0,0,0,0|0,0,1]=3 986 B5R0.5 C[C@H](C(=O)N)N H63535 [1,1,0,0,0,0|1,0,0]=3 987 B5R0.5 C[C@H](C(=O)O)N A10231 [1,1,0,0,0,0|1,0,0]=3 988 B5R0.5 C[C@H](C(C)C)N L16330 [1,1,0,0,0,0|0,0,1]=3 989 B5R0.5 C[C@H](C(C)C)O L11008 [1,1,0,0,0,0|0,0,1]=3 990 B5R0.5 C[C@H]([C@@H](C)O)O L06586 [1,1,0,0,0,0|0,0,1]=3 991 B5R0.5 C[N+](=C(Cl)Cl)C A12300 [1,1,0,0,0,0|2,0,0]=4 992 B5R0.2 C#CCCCCl L02835 [1,1,0,0,0,0|1,0,1]=4 993 B5R0.2 C#CCCCO A10405 [1,1,0,0,0,0|1,0,1]=4 994 B5R0.2 C(CC#N)CBr A10674 [1,1,0,0,0,0|1,0,1]=4 995 B5R0.2 C(CC#N)CCl A18942 [1,1,0,0,0,0|1,0,1]=4 996 B5R0.2 C(CC#N)C[Zn+] H58962 [1,1,0,0,0,0|1,0,1]=4 997 B5R0.2 C(CCBr)CBr A11669 [1,1,0,0,0,0|1,0,1]=4 998 B5R0.2 C(CCBr)CCl A11399 [1,1,0,0,0,0|1,0,1]=4 999 B5R0.2 C(CCBr)CF H64317 [1,1,0,0,0,0|1,0,1]=4 1000 B5R0.2 C(CCBr)CO 16805 [1,1,0,0,0,0|0,0,2]=4 1001 B5R0.2 C(CCCl)CCl B21337 [1,1,0,0,0,0|1,0,1]=4 1002 B5R0.2 C(CCCl)CO L04042 [1,1,0,0,0,0|0,0,2]=4 1003 B5R0.2 C(CCI)CCl L03302 [1,1,0,0,0,0|1,0,1]=4 1004 B5R0.2 C(CCI)CI A16216 [1,1,0,0,0,0|1,0,1]=4 1005 B5R0.2 C(CCN)CN A18312 [1,1,0,0,0,0|1,0,1]=4 1006 B5R0.2 C(CCN)CN B21316 [1,1,0,0,0,0|1,0,1]=4 1007 B5R0.2 C(CCO)CN A12680 [1,1,0,0,0,0|0,0,2]=4 1008 B5R0.2 C(CCO)CO L03491 [1,1,0,0,0,0|0,0,2]=4 1009 B5R0.2 C(CC[Zn+])CCl H58266 [1,1,0,0,0,0|1,0,1]=4 1010 B5R0.2 C(CCl)N=C=O A17289 [1,1,0,0,0,0|1,0,1]=4 1011 B5R0.2 C(CO)NC=O H52345 [1,1,0,0,0,0|1,0,0]=3 1012 B5R0.2 C=CCCC=C A13650 [1,1,0,0,0,0|1,0,1]=4 1013 B5R0.2 C=CCCC=O L13351 [1,1,0,0,0,0|0,0,1]=3 1014 B5R0.2 C=CCCCBr A11219 [1,1,0,0,0,0|1,0,0]=3 1015 B5R0.2 C=CCCCO A11178 [1,1,0,0,0,0|1,0,0]=3 1016 B5R0.2 C=CCCC[Zn+] H58177 [1,1,0,0,0,0|1,0,0]=3 1017 B5R0.2 CCCC#CC B22405 [1,1,0,0,0,0|1,0,1]=4 1018 B5R0.2 CCCCC#C A13156 [1,1,0,0,0,0|1,0,1]=4 1019 B5R0.2 CCCCC#N A10306 [1,1,0,0,0,0|1,0,1]=4 1020 B5R0.2 CCCCC=C B20271 [1,1,0,0,0,0|1,0,0]=3 1021 B5R0.2 CCCCC=O B21389 [1,1,0,0,0,0|0,0,0]=2 1022 B5R0.2 CCCCCBr A10821 [1,1,0,0,0,0|1,0,1]=4 1023 B5R0.2 CCCCCC 19353 [1,1,0,0,0,0|1,0,1]=4 1024 B5R0.2 CCCCCC 32454 [1,1,0,0,0,0|1,0,1]=4 1025 B5R0.2 CCCCCC 39199 [1,1,0,0,0,0|1,0,1]=4 1026 B5R0.2 CCCCCC 41727 [1,1,0,0,0,0|1,0,1]=4 1027 B5R0.2 CCCCCC 42100 [1,1,0,0,0,0|1,0,1]=4 1028 B5R0.2 CCCCCC 43263 [1,1,0,0,0,0|1,0,1]=4 1029 B5R0.2 CCCCCC 47104 [1,1,0,0,0,0|1,0,1]=4 1030 B5R0.2 CCCCCC L09938 [1,1,0,0,0,0|1,0,1]=4 1031 B5R0.2 CCCCCC L13233 [1,1,0,0,0,0|1,0,1]=4 1032 B5R0.2 CCCCCCl B24733 [1,1,0,0,0,0|1,0,1]=4 1033 B5R0.2 CCCCCI B20781 [1,1,0,0,0,0|1,0,1]=4 1034 B5R0.2 CCCCCN A11674 [1,1,0,0,0,0|1,0,1]=4 1035 B5R0.2 CCCCCO 30898 [1,1,0,0,0,0|0,0,2]=4 1036 B5R0.2 CCCCCO A13093 [1,1,0,0,0,0|0,0,2]=4 1037 B5R0.2 CCCCCO H33391 [1,1,0,0,0,0|0,0,2]=4 1038 B5R0.2 CCCCCS L04330 [1,1,0,0,0,0|0,1,1]=4 1039 B5R0.2 CCCCC[Mg+] 41278 [1,1,0,0,0,0|1,0,1]=4 1040 B5R0.2 CCCCC[Mg+] H51175 [1,1,0,0,0,0|1,0,1]=4 1041 B5R0.2 CCCCC[O-] 36569 [1,1,0,0,0,0|0,0,2]=4 1042 B5R0.2 CCCCC[Zn+] H58633 [1,1,0,0,0,0|1,0,1]=4 1043 B5R0.2 CCCCNC B23032 [1,1,0,0,0,0|1,0,1]=4 1044 B5R0.2 CCCCSC L12039 [1,1,0,0,0,0|0,1,1]=4 1045 B5R0.2 CCCN=C=S A14499 [1,1,0,0,0,0|0,1,1]=4 1046 B5R0.2 CCCNCC 14846 [1,1,0,0,0,0|1,0,1]=4 1047 B5R0.2 CCCOC=O A18090 [1,1,0,0,0,0|0,0,0]=2 1048 B5R0.2 CCC\C=C/C H53506 [1,1,0,0,0,0|1,0,0]=3 1049 B5R0.2 CCC\C=C\C B22289 [1,1,0,0,0,0|1,0,0]=3 1050 B5R0.2 CCC\C=C\C H53472 [1,1,0,0,0,0|1,0,0]=3 1051 B5R0.2 CCC\C=N\O A11420 [1,1,0,0,0,0|0,0,1]=3 1052 B5R0.2 CCNCCN B23577 [1,1,0,0,0,0|1,0,1]=4 1053 B5R0.2 CCNCCO A15744 [1,1,0,0,0,0|0,0,2]=4 1054 B5R0.2 CCOCC=C B22276 [1,1,0,0,0,0|1,0,0]=3 1055 B5R0.2 CCOCCBr L04034 [1,1,0,0,0,0|1,0,1]=4 1056 B5R0.2 CCOCCCl B24308 [1,1,0,0,0,0|1,0,1]=4 1057 B5R0.2 CCOCCO A16100 [1,1,0,0,0,0|0,0,2]=4 1058 B5R0.2 CCO\C=C\C H26319 [1,1,0,0,0,0|1,0,1]=4 1059 B5R0.2 CCSCC=C L12847 [1,1,0,0,0,0|1,0,0]=3 1060 B5R0.2 CCSCCN B22147 [1,1,0,0,0,0|1,0,1]=4 1061 B5R0.2 CCSCCO L05040 [1,1,0,0,0,0|0,0,2]=4 1062 B5R0.2 CC\C=C/CC H53485 [1,1,0,0,0,0|1,0,1]=4 1063 B5R0.2 CC\C=C/CO A14262 [1,1,0,0,0,0|0,0,2]=4 1064 B5R0.2 CC\C=C\C=O L06108 [1,1,0,0,0,0|0,0,1]=3 1065 B5R0.2 CC\C=C\CC L10311 [1,1,0,0,0,0|1,0,1]=4 1066 B5R0.2 CNCCCN B23319 [1,1,0,0,0,0|1,0,1]=4 1067 B5R0.2 CNCCCO H58818 [1,1,0,0,0,0|0,0,2]=4 1068 B5R0.2 CNCCNC L02204 [1,1,0,0,0,0|2,0,0]=4 1069 B5R0.2 COCCC#N L07055 [1,1,0,0,0,0|1,0,1]=4 1070 B5R0.2 COCCCN B24095 [1,1,0,0,0,0|1,0,1]=4 1071 B5R0.2 COCCOC 45659 [1,1,0,0,0,0|2,0,0]=4 1072 B5R0.2 COCCOC A12986 [1,1,0,0,0,0|2,0,0]=4 1073 B5R0.2 CSCCC=O A14774 [1,1,0,0,0,0|0,0,0]=2 1074 B5R0.2 CSCCCN H25846 [1,1,0,0,0,0|1,0,1]=4 1075 B5R0.2 CSCCCO A10403 [1,1,0,0,0,0|0,0,2]=4 1076 B5R0.2 C\C=C\CC=C B20060 [1,1,0,0,0,0|1,0,1]=4 1077 B7R0.2 CC(CN(C)C)CCl L06091 [0,2,0,0,0,0|1,0,1]=4 1078 B7R0.2 CCC(C)CC(=O)Cl H50415 [0,2,0,0,0,0|0,0,0]=2 1079 B7R0.2 CCC(C)CC(=O)O A18886 [0,2,0,0,0,0|0,0,0]=2 1080 B7R0.2 CCC(C)OC(=O)C L13892 [0,2,0,0,0,0|0,0,0]=2 1081 B7R0.3 CCC(CCC=C)O B20128 [0,2,0,0,0,0|2,0,0]=4 1082 B7R0.3 CCCCC(C)CC L12006 [0,2,0,0,0,0|1,0,1]=4 1083 B7R0.3 CCCCC(C=C)O A14651 [0,2,0,0,0,0|2,0,0]=4 1084 B7R0.3 CC\C(=C\CCBr)\C L19407 [0,2,0,0,0,0|1,0,1]=4 1085 B7R0.5 C#CC[C@H](C(=O)O)N H65798 [0,2,0,0,0,0|1,0,1]=4 1086 B7R0.5 C(CN)C(C(=O)O)N A15408 [0,2,0,0,0,0|1,0,0]=3 1087 B7R0.5 C(CN)[C@@H](C(=O)O)N L10093 [0,2,0,0,0,0|1,0,0]=3 1088 B7R0.5 C(CN)[C@@H](C(=O)O)O H28796 [0,2,0,0,0,0|1,0,0]=3 1089 B7R0.5 C(CO)C(C(=O)O)N H63118 [0,2,0,0,0,0|1,0,0]=3 1090 B7R0.5 C(CO)[C@@H](C(=O)O)N L12427 [0,2,0,0,0,0|1,0,0]=3 1091 B7R0.5 C=CC[C@@H](C(=O)O)N H52097 [0,2,0,0,0,0|1,0,1]=4 1092 B7R0.5 C=CC[C@H](C(=O)O)N H52112 [0,2,0,0,0,0|1,0,1]=4 1093 B7R0.5 CC(=O)C(CC=C)F H33048 [0,2,0,0,0,0|1,0,1]=4 1094 B7R0.5 CC(C)C(CC=C)O B20220 [0,2,0,0,0,0|2,0,0]=4 1095 B7R0.5 CC(CC=C)C(=O)O A11297 [0,2,0,0,0,0|0,0,1]=3 1096 B7R0.5 CCCC(=O)C(=O)C L04669 [0,2,0,0,0,0|1,0,1]=4 1097 B7R0.5 CCCC(C(=O)O)Br L07047 [0,2,0,0,0,0|1,0,0]=3 1098 B7R0.5 CCCC(C(=O)O)N A15900 [0,2,0,0,0,0|1,0,0]=3 1099 B7R0.5 CCCC(C)C(=O)Cl L02725 [0,2,0,0,0,0|0,0,0]=2 1100 B7R0.5 CCCC(C)C(=O)O A13873 [0,2,0,0,0,0|0,0,0]=2 1101 B7R0.5 CCC[C@@H](C(=O)O)N L08658 [0,2,0,0,0,0|1,0,0]=3 1102 B7R0.5 CCC[C@H](C(=O)O)N B23444 [0,2,0,0,0,0|1,0,0]=3 1103 B7R0.5 CCOC(=O)C(=O)C A15045 [0,2,0,0,0,0|1,0,1]=4 1104 B7R0.5 CCOC(=O)C(=O)Cl A14653 [0,2,0,0,0,0|1,0,1]=4 1105 B7R0.5 CCOC(=O)C(=O)[O-] H35403 [0,2,0,0,0,0|1,0,1]=4 1106 B7R0.5 CCOC(=S)C(=O)N H31447 [0,2,0,0,0,0|1,0,1]=4 1107 B7R0.5 CC\C=C(/C)\C(=O)O A16587 [0,2,0,0,0,0|0,0,1]=3 1108 B7R0.5 CC\C=C(/C)\C(=O)O H60391 [0,2,0,0,0,0|0,0,1]=3 1109 B7R0.5 COC[C@@H](C(=O)O)N H52562 [0,2,0,0,0,0|1,0,0]=3 1110 B7R0.5 COC[C@H](C(=O)O)N H65884 [0,2,0,0,0,0|1,0,0]=3 1111 B7R0.5 C[C@@H](C(C)C)N=C=S L20317 [0,2,0,0,0,0|0,1,1]=4 1112 B7R0.5 C[C@H](C(C)C)N=C=O L20241 [0,2,0,0,0,0|0,0,1]=3 1113 B7R0.5 C[C@H](C(C)C)N=C=S L20071 [0,2,0,0,0,0|0,1,1]=4 1114 B7R0.7 CC(CCBr)CCBr B20521 [0,2,0,0,0,0|1,0,1]=4 1115 B7R0.7 CC(CCO)CCO B20546 [0,2,0,0,0,0|0,0,2]=4 1116 B7R0.7 CCCC(CC=C)O B20591 [0,2,0,0,0,0|2,0,0]=4 1117 B7R0.7 CCCC(\C=C\C)O B20057 [0,2,0,0,0,0|2,0,0]=4 1118 B7R0.7 CCOC(C)OCC A13701 [0,2,0,0,0,0|1,0,1]=4 1119 B7R0.10 C(=O)C(C(C=O)O)O 10505 [0,2,0,0,0,0|1,0,1]=4 1120 B7R0.10 C([C@H]([C@H](C=O)O)O)O B21093 [0,2,0,0,0,0|1,0,0]=3 1121 B7R0.10 CC(C(=O)OC)OC L13527 [0,2,0,0,0,0|1,0,0]=3 1122 B7R0.10 CC(C(=O)OC)SC B21979 [0,2,0,0,0,0|1,0,0]=3 1123 B7R0.10 CCC(=O)C(=O)CC L06655 [0,2,0,0,0,0|1,0,1]=4 1124 B7R0.10 CCC(C(=O)OC)Br A19468 [0,2,0,0,0,0|1,0,0]=3 1125 B7R0.10 CCC(C)C(=O)OC L08103 [0,2,0,0,0,0|0,0,0]=2 1126 B7R0.10 CCC(C)C(C)CC H53498 [0,2,0,0,0,0|1,0,1]=4 1127 B7R0.10 CC[C@H](C)[C@@H](CO)N H60556 [0,2,0,0,0,0|0,0,2]=4 1128 B7R0.10 CN(C(=O)CCl)OC L17048 [0,2,0,0,0,0|2,0,0]=4 1129 B7R0.10 COC(=O)C(CCl)Cl B21993 [0,2,0,0,0,0|2,0,0]=4 1130 B7R0.10 COC(=O)C(CF)Br H31790 [0,2,0,0,0,0|2,0,0]=4 1131 B7R0.10 COC(=O)C(CO)Cl H27623 [0,2,0,0,0,0|2,0,0]=4 1132 B7R0.10 COC(=O)C(CO)N A13904 [0,2,0,0,0,0|2,0,0]=4 1133 B7R0.10 COC(=O)[C@@H](CO)N H63685 [0,2,0,0,0,0|2,0,0]=4 1134 B7R0.10 COC(=O)[C@H](CO)N A12355 [0,2,0,0,0,0|2,0,0]=4 1135 B7R0.10 C[C@@H](CO)C(=O)OC 44483 [0,2,0,0,0,0|1,0,0]=3 1136 B7R0.10 C\C=C(/C)\C(=O)OC A11964 [0,2,0,0,0,0|0,0,2]=4 1137 B7R0.11 CC(C)(CCO)OC L15953 [0,2,0,0,0,0|2,0,0]=4 1138 B7R0.11 CCC(C)(CC=C)O B20447 [0,2,0,0,0,0|1,0,0]=3 1139 B7R0.11 CCCC(C)(CC)Cl B20277 [0,2,0,0,0,0|1,0,1]=4 1140 B7R0.11 CCCC(C)(CC)O L04625 [0,2,0,0,0,0|1,0,1]=4 1141 B7R0.11 CCO[Si](C)(C)C=C L16699 [0,2,0,0,0,0|1,1,0]=4 1142 B7R0.12 CCC(CC)OC=O B20566 [0,2,0,0,0,0|0,0,0]=2 1143 B7R0.12 CCCC(CO)CO B22152 [0,2,0,0,0,0|0,0,2]=4 1144 B7R0.12 CNCC(OC)OC L02391 [0,2,0,0,0,0|2,0,0]=4 1145 B7R0.12 COC(CCBr)OC L20150 [0,2,0,0,0,0|2,0,0]=4 1146 B7R0.12 COC(CSC)OC B22667 [0,2,0,0,0,0|2,0,0]=4 1147 B7R0.13 CC(C)(C#N)C(=O)O H66734 [0,2,0,0,0,0|1,0,1]=4 1148 B7R0.13 CC(C)(C=C)C(=O)O H64067 [0,2,0,0,0,0|0,0,2]=4 1149 B7R0.13 CC(C)(CO)C(=O)O L12858 [0,2,0,0,0,0|1,0,0]=3 1150 B7R0.13 CC(C)C(C)(C#C)O A19906 [0,2,0,0,0,0|1,0,1]=4 1151 B7R0.13 CCC(C(=O)O)(F)F H25830 [0,2,0,0,0,0|1,0,0]=3 1152 B7R0.13 CCC(C)(C)C(=O)Cl L18125 [0,2,0,0,0,0|0,0,0]=2 1153 B7R0.13 CCC(C)(C)C(=O)O A17072 [0,2,0,0,0,0|0,0,0]=2 1154 B7R0.15 C(C(CBr)C(=O)O)Br A19630 [0,2,0,0,0,0|1,0,0]=3 1155 B7R0.15 CCC(CC)C(=C)C B20624 [0,2,0,0,0,0|1,0,0]=3 1156 B7R0.15 CCC(CC)C(=O)Cl B23774 [0,2,0,0,0,0|0,0,0]=2 1157 B7R0.15 CCC(CC)C(=O)O A16989 [0,2,0,0,0,0|0,0,0]=2 1158 B7R0.15 CCN(CC)C(=O)C B20762 [0,2,0,0,0,0|1,0,0]=3 1159 B7R0.15 CCN(CC)C(=O)Cl A15701 [0,2,0,0,0,0|1,0,0]=3 1160 B7R0.15 CCN(CC)C(=S)[S-] 11898 [0,2,0,0,0,0|1,1,0]=4 1161 B7R0.15 CCN(CC)C(=S)[S-] 18697 [0,2,0,0,0,0|1,1,0]=4 1162 B7R0.15 CCN(CC)C(=S)[S-] A10458 [0,2,0,0,0,0|1,1,0]=4 1163 B7R0.15 CCN(CC)C(=S)[S-] A15898 [0,2,0,0,0,0|1,1,0]=4 1164 B7R0.15 C\C=C(\C(=O)O)/OC L19293 [0,2,0,0,0,0|0,0,2]=4 1165 B7R0.16 CC(=O)N(C)C(=O)C B20291 [0,2,0,0,0,0|1,0,1]=4 1166 B7R0.16 CC(C(=O)C)C(=O)C L01135 [0,2,0,0,0,0|0,0,1]=3 1167 B7R0.16 CC(C(=O)Cl)C(=O)Cl 20823 [0,2,0,0,0,0|1,0,1]=4 1168 B7R0.16 CC(C(=O)N)C(=O)N L09203 [0,2,0,0,0,0|1,0,1]=4 1169 B7R0.16 CC(C(C(=O)O)Br)Br L04841 [0,2,0,0,0,0|1,0,0]=3 1170 B7R0.16 CC(C)C(C(=O)O)Br A10756 [0,2,0,0,0,0|1,0,0]=3 1171 B7R0.16 CC(C)C(C(=O)O)N A16756 [0,2,0,0,0,0|1,0,0]=3 1172 B7R0.16 CC(C)C(C(=O)O)O H60872 [0,2,0,0,0,0|1,0,0]=3 1173 B7R0.16 CC(C)C(C)C(C)C L08176 [0,2,0,0,0,0|1,0,1]=4 1174 B7R0.16 CC(C)[C@@H](C(=O)N)N H63775 [0,2,0,0,0,0|1,0,0]=3 1175 B7R0.16 CC(C)[C@@H](C(=O)O)N A12720 [0,2,0,0,0,0|1,0,0]=3 1176 B7R0.16 CC(C)[C@H](C(=O)O)N A18894 [0,2,0,0,0,0|1,0,0]=3 1177 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O H27301 [0,2,0,0,0,0|1,0,0]=3 1178 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O B21177 [0,2,0,0,0,0|1,0,0]=3 1179 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O A10606 [0,2,0,0,0,0|1,0,0]=3 1180 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O A16851 [0,2,0,0,0,0|1,0,0]=3 1181 B7R0.16 C[C@H]([C@H](C(=O)O)N)O H27050 [0,2,0,0,0,0|1,0,0]=3 1182 B7R0.18 CC(C=O)(OC)OC B24988 [0,2,0,0,0,0|1,0,0]=3 1183 B7R0.18 CCC(CC)(C#C)O L06335 [0,2,0,0,0,0|1,0,1]=4 1184 B7R0.18 CCC(CC)(CC)O L03025 [0,2,0,0,0,0|1,0,1]=4 1185 B7R0.18 CCC(CO)(CO)N B24509 [0,2,0,0,0,0|0,0,2]=4 1186 B7R0.18 CC[Si](C)(CC)C=C B23214 [0,2,0,0,0,0|1,1,0]=4 1187 B5R1.2 C1C(=O)CO1 H57870 [1,0,0,1,0,0|1,0,1]=4 1188 B5R1.2 C1C(CN1)F H59454 [1,0,0,1,0,0|2,0,0]=4 1189 B5R1.2 C1C(CN1)N H59318 [1,0,0,1,0,0|2,0,0]=4 1190 B5R1.2 C1C(CN1)O H25842 [1,0,0,1,0,0|1,0,1]=4 1191 B5R1.2 C1C(CO1)Br H57437 [1,0,0,1,0,0|2,0,0]=4 1192 B5R1.2 C1C(CO1)I H57302 [1,0,0,1,0,0|2,0,0]=4 1193 B5R1.2 C1C(CO1)N H57248 [1,0,0,1,0,0|2,0,0]=4 1194 B5R1.2 C1C(CO1)O H57928 [1,0,0,1,0,0|1,0,1]=4 1195 B5R1.2 C1CC(=O)C1 A13068 [1,0,0,1,0,0|0,0,1]=3 1196 B5R1.2 C1CC(C1)Br A12817 [1,0,0,1,0,0|1,0,0]=3 1197 B5R1.2 C1CC(C1)Cl A12561 [1,0,0,1,0,0|1,0,0]=3 1198 B5R1.2 C1CC(C1)N A13423 [1,0,0,1,0,0|1,0,0]=3 1199 B5R1.2 C1CC(C1)N B25400 [1,0,0,1,0,0|1,0,0]=3 1200 B5R1.2 C1CC(C1)O A12430 [1,0,0,1,0,0|0,0,1]=3 1201 B5R1.2 C1CC(C1)[Zn+] H58247 [1,0,0,1,0,0|1,0,0]=3 1202 B5R1.2 C1COC1=O B23197 [1,0,0,1,0,0|1,0,1]=4 1203 B5R1.3 C#CC1CC1 H53440 [1,0,0,1,0,0|1,0,1]=4 1204 B5R1.3 C1C(O1)CCl A15823 [1,0,0,1,0,0|1,0,1]=4 1205 B5R1.3 C1CC1C#N A11125 [1,0,0,1,0,0|1,0,1]=4 1206 B5R1.3 C1CC1C=O L14931 [1,0,0,1,0,0|0,0,0]=2 1207 B5R1.3 C1CC1CBr L01122 [1,0,0,1,0,0|1,0,1]=4 1208 B5R1.3 C1CC1CCl L06986 [1,0,0,1,0,0|1,0,1]=4 1209 B5R1.3 C1CC1CI H35309 [1,0,0,1,0,0|1,0,1]=4 1210 B5R1.3 C1CC1CN A13946 [1,0,0,1,0,0|1,0,1]=4 1211 B5R1.3 C1CC1CN L13353 [1,0,0,1,0,0|1,0,1]=4 1212 B5R1.3 C1CC1CO A12567 [1,0,0,1,0,0|0,0,2]=4 1213 B5R1.3 C1[C@@H](O1)CCl L14198 [1,0,0,1,0,0|1,0,1]=4 1214 B5R1.3 C1[C@@H](O1)CO H63502 [1,0,0,1,0,0|1,0,1]=4 1215 B5R1.3 C1[C@H](O1)CCl L14298 [1,0,0,1,0,0|1,0,1]=4 1216 B5R1.3 C=CC1CO1 L00238 [1,0,0,1,0,0|2,0,0]=4 1217 B5R1.3 CC[C@@H]1CO1 H58579 [1,0,0,1,0,0|0,0,1]=3 1218 B5R1.3 CC[C@H]1CO1 H58104 [1,0,0,1,0,0|0,0,1]=3 1219 B5R1.4 C[C@@H]1[C@@H](O1)C L10320 [1,0,0,1,0,0|0,0,1]=3 1220 B5R1.4 C[C@H]1[C@@H](O1)C B22005 [1,0,0,1,0,0|0,0,1]=3 1221 B5R1.5 CC1(CO1)C L09773 [1,0,0,1,0,0|0,0,2]=4 1222 B5R1.1 C1C=CCN1 H26072 [1,0,0,1,0,0|2,0,0]=4 1223 B5R1.1 C1C=CCN1 L16349 [1,0,0,1,0,0|2,0,0]=4 1224 B5R1.1 C1CC=CC1 41461 [1,0,0,1,0,0|1,0,0]=3 1225 B5R1.1 C1CC=CC1 A11027 [1,0,0,1,0,0|1,0,0]=3 1226 B5R1.1 C1CCCC1 44814 [1,0,0,1,0,0|1,0,1]=4 1227 B5R1.1 C1CCCC1 A14697 [1,0,0,1,0,0|1,0,1]=4 1228 B5R1.1 C1CCNC1 A14852 [1,0,0,1,0,0|1,0,1]=4 1229 B5R1.1 C1CCOC1 22904 [1,0,0,1,0,0|0,0,2]=4 1230 B5R1.1 C1CCOC1 30760 [1,0,0,1,0,0|0,0,2]=4 1231 B5R1.1 C1CCOC1 32468 [1,0,0,1,0,0|0,0,2]=4 1232 B5R1.1 C1CCOC1 38994 [1,0,0,1,0,0|0,0,2]=4 1233 B5R1.1 C1CCOC1 39460 [1,0,0,1,0,0|0,0,2]=4 1234 B5R1.1 C1CCOC1 39550 [1,0,0,1,0,0|0,0,2]=4 1235 B5R1.1 C1CCOC1 39594 [1,0,0,1,0,0|0,0,2]=4 1236 B5R1.1 C1CCOC1 41819 [1,0,0,1,0,0|0,0,2]=4 1237 B5R1.1 C1CCOC1 41820 [1,0,0,1,0,0|0,0,2]=4 1238 B5R1.1 C1CCOC1 42254 [1,0,0,1,0,0|0,0,2]=4 1239 B5R1.1 C1CCOC1 43291 [1,0,0,1,0,0|0,0,2]=4 1240 B5R1.1 C1CCOC1 44505 [1,0,0,1,0,0|0,0,2]=4 1241 B5R1.1 C1CCOC1 44608 [1,0,0,1,0,0|0,0,2]=4 1242 B5R1.1 C1CCOC1 47122 [1,0,0,1,0,0|0,0,2]=4 1243 B5R1.1 C1CCOC1 L13304 [1,0,0,1,0,0|0,0,2]=4 1244 B5R1.1 C1CCOC1 L13961 [1,0,0,1,0,0|0,0,2]=4 1245 B5R1.1 C1CCOC1 L17593 [1,0,0,1,0,0|0,0,2]=4 1246 B5R1.1 C1CCSC1 L13908 [1,0,0,1,0,0|0,1,1]=4 1247 B5R1.1 C1COC=C1 B20575 [1,0,0,1,0,0|0,0,2]=4 1248 B7R1.1 C#CC1CCCC1 H53483 [0,1,0,1,0,0|1,0,1]=4 1249 B7R1.1 C1CC(NC1)CO H62322 [0,1,0,1,0,0|0,0,2]=4 1250 B7R1.1 C1CC(OC1)CBr A15192 [0,1,0,1,0,0|1,0,1]=4 1251 B7R1.1 C1CC(OC1)CCl B24015 [0,1,0,1,0,0|1,0,1]=4 1252 B7R1.1 C1CC(OC1)CN B23068 [0,1,0,1,0,0|1,0,1]=4 1253 B7R1.1 C1CC(OC1)CO A17078 [0,1,0,1,0,0|0,0,2]=4 1254 B7R1.1 C1CCC(C1)C#N A17710 [0,1,0,1,0,0|1,0,1]=4 1255 B7R1.1 C1CCC(C1)C=O H56609 [0,1,0,1,0,0|0,0,0]=2 1256 B7R1.1 C1CCC(C1)CI B25391 [0,1,0,1,0,0|1,0,1]=4 1257 B7R1.1 C1CCC(C1)CO A11595 [0,1,0,1,0,0|0,0,2]=4 1258 B7R1.1 C1CNCC1CO H57225 [0,1,0,1,0,0|0,0,2]=4 1259 B7R1.1 C1CNC[C@@H]1CO H57871 [0,1,0,1,0,0|0,0,2]=4 1260 B7R1.1 C1CNC[C@H]1CO H57199 [0,1,0,1,0,0|0,0,2]=4 1261 B7R1.1 C1C[C@@H](NC1)CN H66198 [0,1,0,1,0,0|1,0,1]=4 1262 B7R1.1 C1C[C@@H](NC1)CO L11109 [0,1,0,1,0,0|0,0,2]=4 1263 B7R1.1 C1C[C@@H](OC1)CN L14410 [0,1,0,1,0,0|1,0,1]=4 1264 B7R1.1 C1C[C@@H](OC1)CO L19044 [0,1,0,1,0,0|0,0,2]=4 1265 B7R1.1 C1C[C@H](NC1)CO L09779 [0,1,0,1,0,0|0,0,2]=4 1266 B7R1.1 C1C[C@H](OC1)CN L10790 [0,1,0,1,0,0|1,0,1]=4 1267 B7R1.1 C=CC1CCCC1 H26230 [0,1,0,1,0,0|1,0,0]=3 1268 B7R1.1 CC=C1CCCC1 B20209 [0,1,0,1,0,0|1,0,1]=4 1269 B7R1.1 CCC1=CC=CC1 39253 [0,1,0,1,0,0|1,0,1]=4 1270 B7R1.1 CCC1=CC=CC1 H27592 [0,1,0,1,0,0|1,0,1]=4 1271 B7R1.1 CCC1=CC=CC1 H27618 [0,1,0,1,0,0|1,0,1]=4 1272 B7R1.1 CCC1=CC=CC1 H27769 [0,1,0,1,0,0|1,0,1]=4 1273 B7R1.1 COC1CCCC1 H27349 [0,1,0,1,0,0|1,0,1]=4 1274 B7R1.2 C1C(COC1=O)O L20257 [0,1,0,1,0,0|2,0,0]=4 1275 B7R1.2 C1C(OC(=O)O1)F H61502 [0,1,0,1,0,0|2,0,0]=4 1276 B7R1.2 C1CC(=O)CC1=O L10336 [0,1,0,1,0,0|1,0,1]=4 1277 B7R1.2 C1CC(=O)NC1=O A13503 [0,1,0,1,0,0|1,0,1]=4 1278 B7R1.2 C1CC(=O)OC1=O A12245 [0,1,0,1,0,0|1,0,1]=4 1279 B7R1.2 C1[C@@H](CNC1=O)O H66455 [0,1,0,1,0,0|2,0,0]=4 1280 B7R1.2 C1[C@@H](COC1=O)O L20256 [0,1,0,1,0,0|2,0,0]=4 1281 B7R1.2 C1[C@H](CNC1=O)O H66006 [0,1,0,1,0,0|2,0,0]=4 1282 B7R1.2 C1[C@H](COC1=O)O L20255 [0,1,0,1,0,0|2,0,0]=4 1283 B7R1.2 CC1=CC(=O)CC1 A13993 [0,1,0,1,0,0|0,0,1]=3 1284 B7R1.2 CC1=CCC(=O)O1 L07602 [0,1,0,1,0,0|0,0,2]=4 1285 B7R1.2 CC1CCC(=O)C1 L04940 [0,1,0,1,0,0|0,0,0]=2 1286 B7R1.2 CC1CCC(=O)O1 A18872 [0,1,0,1,0,0|0,0,0]=2 1287 B7R1.2 CC1COC(=O)O1 A15552 [0,1,0,1,0,0|1,0,0]=3 1288 B7R1.2 CN1CCC(=O)C1 H57585 [0,1,0,1,0,0|1,0,0]=3 1289 B7R1.3 C1CC=CC(C1)Br A10370 [0,1,0,1,0,0|2,0,0]=4 1290 B7R1.3 CC1=CCCCC1 L15014 [0,1,0,1,0,0|1,0,1]=4 1291 B7R1.3 CC1CCCCC1 31861 [0,1,0,1,0,0|1,0,1]=4 1292 B7R1.3 CC1CCCCC1 A16057 [0,1,0,1,0,0|1,0,1]=4 1293 B7R1.3 CC1CCCCN1 L02567 [0,1,0,1,0,0|1,0,1]=4 1294 B7R1.3 CC1CCCNC1 L13408 [0,1,0,1,0,0|1,0,1]=4 1295 B7R1.3 CC1CCNCC1 L02709 [0,1,0,1,0,0|1,0,1]=4 1296 B7R1.3 CC1CNCCN1 B24405 [0,1,0,1,0,0|1,0,1]=4 1297 B7R1.3 CC1SCCCS1 L00209 [0,1,0,1,0,0|2,0,0]=4 1298 B7R1.3 C[C@@H]1CNCCN1 B22366 [0,1,0,1,0,0|1,0,1]=4 1299 B7R1.3 C[C@@H]1CNCCN1 L20074 [0,1,0,1,0,0|1,0,1]=4 1300 B7R1.3 C[C@H]1CNCCN1 L14429 [0,1,0,1,0,0|1,0,1]=4 1301 B7R1.3 C[C@H]1CNCCN1 L20075 [0,1,0,1,0,0|1,0,1]=4 1302 B7R1.4 C1CC(C(=O)C1)Cl B22573 [0,1,0,1,0,0|1,0,0]=3 1303 B7R1.4 C1CNC(=O)C1O H57961 [0,1,0,1,0,0|1,0,0]=3 1304 B7R1.4 C1COC(=O)C1Br A17344 [0,1,0,1,0,0|1,0,0]=3 1305 B7R1.4 C1COC(=O)N1N H35648 [0,1,0,1,0,0|2,0,0]=4 1306 B7R1.4 C1COC(=O)[C@H]1N B23148 [0,1,0,1,0,0|1,0,0]=3 1307 B7R1.4 C1CSC(=O)C1N L09077 [0,1,0,1,0,0|1,0,0]=3 1308 B7R1.4 C1[C@H](C(=O)NO1)N A18000 [0,1,0,1,0,0|2,0,0]=4 1309 B7R1.4 CC1C(=O)CCO1 B20890 [0,1,0,1,0,0|0,0,0]=2 1310 B7R1.4 CC1C(=O)CCS1 L10083 [0,1,0,1,0,0|0,0,0]=2 1311 B7R1.4 CC1CCCC1O A19978 [0,1,0,1,0,0|0,0,2]=4 1312 B7R1.4 CN1CCCC1=O 38986 [0,1,0,1,0,0|1,0,0]=3 1313 B7R1.4 CN1CCCC1=O 39176 [0,1,0,1,0,0|1,0,0]=3 1314 B7R1.4 CN1CCCC1=O 43741 [0,1,0,1,0,0|1,0,0]=3 1315 B7R1.4 CN1CCCC1=O 43894 [0,1,0,1,0,0|1,0,0]=3 1316 B7R1.4 CN1CCCC1=O 44063 [0,1,0,1,0,0|1,0,0]=3 1317 B7R1.4 CN1CCCC1=O A12260 [0,1,0,1,0,0|1,0,0]=3 1318 B7R1.25 CC1(COC1)CO B25111 [0,1,0,1,0,0|0,0,2]=4 1319 B7R1.12 CC1CC1C(=O)O H27815 [0,1,0,1,0,0|0,0,0]=2 1320 B7R1.18 C1C(CN1)C(=O)O H52294 [0,1,0,1,0,0|1,0,0]=3 1321 B7R1.18 C1C(CO1)C(=O)O H57578 [0,1,0,1,0,0|1,0,0]=3 1322 B7R1.18 C1CC(C1)C(=N)N H27475 [0,1,0,1,0,0|1,0,0]=3 1323 B7R1.18 C1CC(C1)C(=O)Cl B20317 [0,1,0,1,0,0|0,0,0]=2 1324 B7R1.18 C1CC(C1)C(=O)O A14480 [0,1,0,1,0,0|0,0,0]=2 1325 B7R1.18 C1CN[C@@H]1C(=O)O L09668 [0,1,0,1,0,0|1,0,0]=3 1326 B7R1.18 CC(=O)C1CCC1 L03521 [0,1,0,1,0,0|0,0,0]=2 1327 B7R1.19 C1CC1(C(=O)O)N H27264 [0,1,0,1,0,0|1,0,0]=3 1328 B7R1.19 CC(=O)C1(CC1)C L05394 [0,1,0,1,0,0|0,0,0]=2 1329 B7R1.14 CC1(CCCC1)O B24744 [0,1,0,1,0,0|1,0,1]=4 1330 B7R1.29 C1CC1(CO)CO H56083 [0,1,0,1,0,0|0,0,2]=4