0 B3R0.1 C#CCBr 20264 [0,0,0,0,0,0|1,0,2]=3 1 B3R0.1 C#CCN 18842 [0,0,0,0,0,0|1,0,2]=3 2 B3R0.1 C#CCN 18845 [0,0,0,0,0,0|1,0,2]=3 3 B3R0.1 C#C[Mg]Br 18180 [0,0,0,0,0,0|2,0,2]=4 4 B3R0.1 C=CC=O 23303 [0,0,0,0,0,0|0,1,3]=4 5 B3R0.1 C=CCCl 35025 [0,0,0,0,0,0|1,0,2]=3 6 B3R0.1 C=CCI 12655 [0,0,0,0,0,0|1,0,2]=3 7 B3R0.1 C=CCN 19133 [0,0,0,0,0,0|1,0,2]=3 8 B3R0.1 CCCI 3977 [0,0,0,0,0,0|1,0,0]=1 9 B3R0.1 CCC[S-] 35319 [0,0,0,0,0,0|0,0,1]=1 10 B3R0.1 CCNC 10275 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.1 CCNN 16833 [0,0,0,0,0,0|2,0,0]=2 12 B3R0.1 CCON 35706 [0,0,0,0,0,0|2,0,0]=2 13 B3R0.1 CC[Mg]Br 23799 [0,0,0,0,0,0|2,0,0]=2 14 B3R0.1 CNC=O 35283 [0,0,0,0,0,0|1,1,1]=3 15 B3R0.1 CNOC 25934 [0,0,0,0,0,0|3,0,0]=3 16 B3R0.1 COCBr 23167 [0,0,0,0,0,0|2,0,0]=2 17 B3R0.1 CSSC 9665 [0,0,0,0,0,0|3,0,0]=3 18 B3R0.1 N#CCBr 12656 [0,0,0,0,0,0|2,0,1]=3 19 B3R0.1 N#CCI 12543 [0,0,0,0,0,0|2,0,1]=3 20 B3R0.1 NCCBr 32344 [0,0,0,0,0,0|2,0,0]=2 21 B3R0.1 NCCF 19132 [0,0,0,0,0,0|2,0,0]=2 22 B3R0.1 NCCO 24767 [0,0,0,0,0,0|1,1,0]=2 23 B3R0.1 NNC=O 32333 [0,0,0,0,0,0|2,1,1]=4 24 B3R0.1 SCCS 12844 [0,0,0,0,0,0|1,0,0]=1 25 B2R0.1 CCI 21355 [1,0,0,0,0,0|1,0,0]=2 26 B2R0.1 CCN 45201 [1,0,0,0,0,0|1,0,0]=2 27 B2R0.1 CC[O-] 26132 [1,0,0,0,0,0|0,1,0]=2 28 B2R0.1 CNC 18186 [1,0,0,0,0,0|1,0,0]=2 29 B2R0.1 CSC 14218 [1,0,0,0,0,0|1,0,0]=2 30 B2R0.1 CSC 36251 [1,0,0,0,0,0|1,0,0]=2 31 B2R0.1 C[Mg]Br 20745 [1,0,0,0,0,0|2,0,0]=3 32 B2R0.1 ClCBr 2209 [1,0,0,0,0,0|2,0,0]=3 33 B2R0.1 Cl[Co]Cl 25246 [1,0,0,0,0,0|3,0,0]=4 34 B2R0.1 FCBr 2382 [1,0,0,0,0,0|2,0,0]=3 35 B2R0.1 FCCl 35673 [1,0,0,0,0,0|2,0,0]=3 36 B2R0.1 N#CBr 12515 [1,0,0,0,0,0|2,0,1]=4 37 B2R0.1 N#C[Cu] 24249 [1,0,0,0,0,0|2,0,1]=4 38 B2R0.1 N#C[O-] 23312 [1,0,0,0,0,0|1,1,1]=4 39 B2R0.1 O=[PH2][O-] 12707 [1,0,0,0,0,0|2,1,0]=4 40 B4R0.1 C#CC(C)=O 2024 [0,1,0,0,0,0|1,0,2]=4 41 B4R0.1 C#C[C@@H](C)O 20211 [0,1,0,0,0,0|1,0,1]=3 42 B4R0.1 C=C(C)CCl 20429 [0,1,0,0,0,0|1,0,1]=3 43 B4R0.1 CC(=O)CBr 24199 [0,1,0,0,0,0|1,0,1]=3 44 B4R0.1 CC(C)=CBr 29713 [0,1,0,0,0,0|1,0,2]=4 45 B4R0.1 CC(C)CI 3951 [0,1,0,0,0,0|1,0,0]=2 46 B4R0.1 CC(C)NN 26972 [0,1,0,0,0,0|2,0,0]=3 47 B4R0.1 CC(O)CBr 12555 [0,1,0,0,0,0|1,0,0]=2 48 B4R0.1 CC=C(C)C 2026 [0,1,0,0,0,0|1,0,2]=4 49 B4R0.1 CCB(O)O 7960 [0,1,0,0,0,0|1,1,0]=3 50 B4R0.1 CCC(C)Br 3753 [0,1,0,0,0,0|1,0,0]=2 51 B4R0.1 CCC(C)I 3940 [0,1,0,0,0,0|1,0,0]=2 52 B4R0.1 CCC(C)O 6718 [0,1,0,0,0,0|0,1,0]=2 53 B4R0.1 CCC([NH-])=O 10938 [0,1,0,0,0,0|0,1,1]=3 54 B4R0.1 CCN(C)C 10322 [0,1,0,0,0,0|2,0,0]=3 55 B4R0.1 CCS(=O)[O-] 24643 [0,1,0,0,0,0|1,1,0]=3 56 B4R0.1 CC[C@@H](C)N 6741 [0,1,0,0,0,0|1,0,0]=2 57 B4R0.1 CC[C@@H](C)O 6717 [0,1,0,0,0,0|0,1,0]=2 58 B4R0.1 CC[C@H](C)N 6743 [0,1,0,0,0,0|1,0,0]=2 59 B4R0.1 CN(C)C=O 23341 [0,1,0,0,0,0|1,1,1]=4 60 B4R0.1 CNC(C)C 10279 [0,1,0,0,0,0|2,0,0]=3 61 B4R0.1 CNC(N)=S 35584 [0,1,0,0,0,0|1,0,2]=4 62 B4R0.1 COC(C)=N 2122 [0,1,0,0,0,0|2,0,1]=4 63 B4R0.1 COC(Cl)Cl 2376 [0,1,0,0,0,0|2,0,0]=3 64 B4R0.1 CSC(=N)N 20041 [0,1,0,0,0,0|2,0,1]=4 65 B4R0.1 C[C@@H](Cl)CO 8287 [0,1,0,0,0,0|0,1,0]=2 66 B4R0.1 C[C@@H](N)CN 29215 [0,1,0,0,0,0|1,0,0]=2 67 B4R0.1 C[C@@H](N)CO 9884 [0,1,0,0,0,0|0,1,0]=2 68 B4R0.1 C[C@@H](O)CBr 23955 [0,1,0,0,0,0|1,0,0]=2 69 B4R0.1 C[C@@H](O)CCl 14071 [0,1,0,0,0,0|1,0,0]=2 70 B4R0.1 C[C@@H](O)CI 23956 [0,1,0,0,0,0|1,0,0]=2 71 B4R0.1 C[C@@H](O)CN 5721 [0,1,0,0,0,0|1,0,0]=2 72 B4R0.1 C[C@@H](O)CO 5857 [0,1,0,0,0,0|0,1,0]=2 73 B4R0.1 C[C@H](Cl)CO 8285 [0,1,0,0,0,0|0,1,0]=2 74 B4R0.1 C[C@H](N)CN 15232 [0,1,0,0,0,0|1,0,0]=2 75 B4R0.1 C[C@H](N)CO 5710 [0,1,0,0,0,0|0,1,0]=2 76 B4R0.1 C[C@H](O)CBr 20478 [0,1,0,0,0,0|1,0,0]=2 77 B4R0.1 C[C@H](O)CCl 14072 [0,1,0,0,0,0|1,0,0]=2 78 B4R0.1 C[C@H](O)CN 5720 [0,1,0,0,0,0|1,0,0]=2 79 B4R0.1 C[C@H](O)CO 5853 [0,1,0,0,0,0|0,1,0]=2 80 B4R0.1 C\C(N)=N\O 31948 [0,1,0,0,0,0|1,1,1]=4 81 B4R0.1 C\C=C(/C)Br 29073 [0,1,0,0,0,0|1,0,2]=4 82 B4R0.1 N#CC(Br)Br 12509 [0,1,0,0,0,0|2,0,1]=4 83 B4R0.1 N#CC(Cl)Cl 17242 [0,1,0,0,0,0|2,0,1]=4 84 B4R0.1 N=C(N)CCl 20222 [0,1,0,0,0,0|2,0,1]=4 85 B4R0.1 NC(=O)CBr 31995 [0,1,0,0,0,0|1,1,1]=4 86 B4R0.1 NC(=O)CI 12542 [0,1,0,0,0,0|1,1,1]=4 87 B4R0.1 NCC(=O)O 18924 [0,1,0,0,0,0|1,1,1]=4 88 B4R0.1 NCC(=O)[O-] 26210 [0,1,0,0,0,0|1,1,1]=4 89 B4R0.1 NCC(=O)[O-] 9921 [0,1,0,0,0,0|1,1,1]=4 90 B4R0.1 NCC(N)=O 13019 [0,1,0,0,0,0|1,1,1]=4 91 B4R0.1 O=C(Cl)CBr 24880 [0,1,0,0,0,0|1,1,1]=4 92 B4R0.1 O=C(O)CBr 13144 [0,1,0,0,0,0|1,1,1]=4 93 B4R0.1 OCC(F)F 26977 [0,1,0,0,0,0|1,1,0]=3 94 B4R0.1 PCC(Cl)Cl 6479 [0,1,0,0,0,0|2,0,0]=3 95 B4R0.1 [C-]#[N+]C(C)C 29396 [0,1,0,0,0,0|2,0,0]=3 96 B4R0.2 C#CCCO 13071 [0,1,0,0,0,0|0,1,1]=3 97 B4R0.2 C#CCOC 35042 [0,1,0,0,0,0|1,0,1]=3 98 B4R0.2 C#COCC 12592 [0,1,0,0,0,0|1,0,1]=3 99 B4R0.2 C=CCCN 10268 [0,1,0,0,0,0|1,0,1]=3 100 B4R0.2 C=CCCN 36002 [0,1,0,0,0,0|1,0,1]=3 101 B4R0.2 C=CCCO 18909 [0,1,0,0,0,0|0,1,1]=3 102 B4R0.2 C=CC[Pd]Cl 16020 [0,1,0,0,0,0|1,0,2]=4 103 B4R0.2 C=COCC 18645 [0,1,0,0,0,0|1,0,1]=3 104 B4R0.2 CC#CCO 13061 [0,1,0,0,0,0|0,1,1]=3 105 B4R0.2 CCCCBr 3752 [0,1,0,0,0,0|1,0,0]=2 106 B4R0.2 CCCCI 3939 [0,1,0,0,0,0|1,0,0]=2 107 B4R0.2 CCN=C=O 18636 [0,1,0,0,0,0|0,1,1]=3 108 B4R0.2 CCNCC 14036 [0,1,0,0,0,0|1,0,0]=2 109 B4R0.2 CCNCC 17237 [0,1,0,0,0,0|1,0,0]=2 110 B4R0.2 CCOCCl 18683 [0,1,0,0,0,0|1,0,0]=2 111 B4R0.2 CC[B+]CC 26091 [0,1,0,0,0,0|1,0,0]=2 112 B4R0.2 CNCC#N 35842 [0,1,0,0,0,0|1,0,1]=3 113 B4R0.2 CNCCCl 35179 [0,1,0,0,0,0|1,0,0]=2 114 B4R0.2 CNCCN 4020 [0,1,0,0,0,0|1,0,0]=2 115 B4R0.2 COCC#N 28756 [0,1,0,0,0,0|1,0,1]=3 116 B4R0.2 COCCBr 2138 [0,1,0,0,0,0|1,0,0]=2 117 B4R0.2 COCCCl 1911 [0,1,0,0,0,0|1,0,0]=2 118 B4R0.2 COCCO 35138 [0,1,0,0,0,0|0,1,0]=2 119 B4R0.2 CSCCCl 35891 [0,1,0,0,0,0|1,0,0]=2 120 B4R0.2 CSCCN 19131 [0,1,0,0,0,0|1,0,0]=2 121 B4R0.2 CSCCO 10846 [0,1,0,0,0,0|0,1,0]=2 122 B4R0.2 C\C=C\CC 19602 [0,1,0,0,0,0|1,0,1]=3 123 B4R0.2 C\C=C\CO 21075 [0,1,0,0,0,0|0,1,1]=3 124 B4R0.2 ICCCI 3858 [0,1,0,0,0,0|1,0,0]=2 125 B4R0.2 N#CCC=O 18435 [0,1,0,0,0,0|0,1,2]=4 126 B4R0.2 N#CCCBr 25994 [0,1,0,0,0,0|1,0,1]=3 127 B4R0.2 N#CCCN 19134 [0,1,0,0,0,0|1,0,1]=3 128 B4R0.2 N#CCCO 22156 [0,1,0,0,0,0|0,1,1]=3 129 B4R0.2 NCCCBr 18801 [0,1,0,0,0,0|1,0,0]=2 130 B4R0.2 NCCCN 10839 [0,1,0,0,0,0|1,0,0]=2 131 B4R0.2 NNCCO 45109 [0,1,0,0,0,0|1,1,0]=3 132 B4R1.1 C1CNC1 22634 [0,0,0,1,0,0|1,0,0]=2 133 B4R1.2 BrC1CC1 14417 [0,0,0,1,0,0|1,0,0]=2 134 B4R1.2 CC1=CC1 18904 [0,0,0,1,0,0|1,0,1]=3 135 B4R1.2 C[C@@H]1CO1 5829 [0,0,0,1,0,0|0,1,0]=2 136 B4R1.2 C[C@H]1CO1 5828 [0,0,0,1,0,0|0,1,0]=2 137 B4R1.2 OC1CC1 34599 [0,0,0,1,0,0|0,1,0]=2 138 B1R0.1 CF 29083 [2,0,0,0,0,0|1,0,0]=3 139 B1R0.1 CN 29301 [2,0,0,0,0,0|1,0,0]=3 140 B1R0.1 C[S-] 7072 [2,0,0,0,0,0|0,0,1]=3 141 B1R0.1 ClI 21352 [2,0,0,0,0,0|2,0,0]=4 142 B1R0.1 NN 17422 [2,0,0,0,0,0|2,0,0]=4 143 B1R0.1 NN 21005 [2,0,0,0,0,0|2,0,0]=4 144 B1R0.1 NN 26395 [2,0,0,0,0,0|2,0,0]=4 145 B1R0.1 NO 23590 [2,0,0,0,0,0|1,1,0]=4 146 B1R0.1 [C-]#[O+] 35949 [2,0,0,0,0,0|0,1,1]=4 147 B3R0.2 C=C(C)Br 27228 [1,1,0,0,0,0|0,0,2]=4 148 B3R0.2 CB(O)O 6018 [1,1,0,0,0,0|1,1,0]=4 149 B3R0.2 CC(=O)Cl 17265 [1,1,0,0,0,0|0,1,1]=4 150 B3R0.2 CC(=O)O 22173 [1,1,0,0,0,0|0,1,1]=4 151 B3R0.2 CC(=O)[O-] 10966 [1,1,0,0,0,0|0,1,1]=4 152 B3R0.2 CC(=O)[O-] 18178 [1,1,0,0,0,0|0,1,1]=4 153 B3R0.2 CC(=O)[O-] 26340 [1,1,0,0,0,0|0,1,1]=4 154 B3R0.2 CC(=O)[O-] 3997 [1,1,0,0,0,0|0,1,1]=4 155 B3R0.2 CC(C)Br 18655 [1,1,0,0,0,0|0,0,0]=2 156 B3R0.2 CC(C)I 21400 [1,1,0,0,0,0|0,0,0]=2 157 B3R0.2 CC(F)F 21302 [1,1,0,0,0,0|1,0,0]=3 158 B3R0.2 CC(O)=S 28961 [1,1,0,0,0,0|0,0,2]=4 159 B3R0.2 CC([O-])=S 25455 [1,1,0,0,0,0|0,0,2]=4 160 B3R0.2 CN(C)C 18299 [1,1,0,0,0,0|1,0,0]=3 161 B3R0.2 CP(C)C 20413 [1,1,0,0,0,0|1,0,0]=3 162 B3R0.2 CS(=O)[O-] 28957 [1,1,0,0,0,0|1,1,0]=4 163 B3R0.2 CS(C)=O 44865 [1,1,0,0,0,0|1,0,0]=3 164 B3R0.2 C[PH](C)=O 29395 [1,1,0,0,0,0|1,0,0]=3 165 B3R0.2 C[S+](C)C 44700 [1,1,0,0,0,0|1,0,0]=3 166 B3R0.2 ClC(Br)Br 12531 [1,1,0,0,0,0|2,0,0]=4 167 B3R0.2 IC(I)I 28148 [1,1,0,0,0,0|2,0,0]=4 168 B3R0.2 PC(Cl)Cl 6473 [1,1,0,0,0,0|2,0,0]=4 169 B5R0.1 C#CCC(C)O 26123 [0,2,0,0,0,0|1,0,0]=3 170 B5R0.1 CC(=O)NCO 11062 [0,2,0,0,0,0|0,1,1]=4 171 B5R0.1 CC(Br)CCBr 3866 [0,2,0,0,0,0|1,0,0]=3 172 B5R0.1 CC(C)=CCBr 35170 [0,2,0,0,0,0|1,0,1]=4 173 B5R0.1 CC(C)CCI 3950 [0,2,0,0,0,0|1,0,0]=3 174 B5R0.1 CC(C)CNN 18739 [0,2,0,0,0,0|1,0,0]=3 175 B5R0.1 CC(C)N=C=S 16501 [0,2,0,0,0,0|0,0,2]=4 176 B5R0.1 CC(N)CCO 29198 [0,2,0,0,0,0|0,1,0]=3 177 B5R0.1 CCCB(O)O 6019 [0,2,0,0,0,0|0,1,0]=3 178 B5R0.1 CCCC(=N)N 16315 [0,2,0,0,0,0|1,0,0]=3 179 B5R0.1 CCCC(=O)Cl 13241 [0,2,0,0,0,0|0,1,0]=3 180 B5R0.1 CCCC(C)N 26317 [0,2,0,0,0,0|1,0,0]=3 181 B5R0.1 CCC[C@@H](C)O 6721 [0,2,0,0,0,0|0,1,0]=3 182 B5R0.1 CCC[C@H](C)O 6719 [0,2,0,0,0,0|0,1,0]=3 183 B5R0.1 CCNC(C)C 10283 [0,2,0,0,0,0|1,0,0]=3 184 B5R0.1 CCOC(=S)[S-] 36079 [0,2,0,0,0,0|0,0,2]=4 185 B5R0.1 CCOC(C)=N 2020 [0,2,0,0,0,0|1,0,1]=4 186 B5R0.1 CCSC(C)=S 12459 [0,2,0,0,0,0|0,0,2]=4 187 B5R0.1 CN(C)CC=O 26115 [0,2,0,0,0,0|0,1,1]=4 188 B5R0.1 CN(C)CCS 35662 [0,2,0,0,0,0|0,0,0]=2 189 B5R0.1 CNCC(=O)O 10995 [0,2,0,0,0,0|0,1,1]=4 190 B5R0.1 COCC(C)O 1904 [0,2,0,0,0,0|0,1,0]=3 191 B5R0.1 COC[C@@H](C)O 6714 [0,2,0,0,0,0|0,1,0]=3 192 B5R0.1 COC[C@H](C)O 6715 [0,2,0,0,0,0|0,1,0]=3 193 B5R0.1 C[C@@H](O)CCO 6724 [0,2,0,0,0,0|0,1,0]=3 194 B5R0.1 C[C@H](O)CCO 6722 [0,2,0,0,0,0|0,1,0]=3 195 B5R0.1 NCCC(=O)O 10996 [0,2,0,0,0,0|0,1,1]=4 196 B5R0.1 NCCC(N)=O 18936 [0,2,0,0,0,0|0,1,1]=4 197 B5R0.1 O=C(Cl)CCBr 31904 [0,2,0,0,0,0|0,1,1]=4 198 B5R0.1 O=C(Cl)CCCl 13691 [0,2,0,0,0,0|0,1,1]=4 199 B5R0.1 O=C(O)CCCl 13689 [0,2,0,0,0,0|0,1,1]=4 200 B5R0.1 O=C(O)CCO 12598 [0,2,0,0,0,0|0,1,1]=4 201 B5R0.1 O=C(O)CCS 36422 [0,2,0,0,0,0|0,0,1]=3 202 B5R0.1 O=[N+]([O-])CCO 14208 [0,2,0,0,0,0|1,1,0]=4 203 B5R0.3 C#CC(O)CC 26391 [0,2,0,0,0,0|0,1,0]=3 204 B5R0.3 C=C[C@H](O)CO 19971 [0,2,0,0,0,0|0,1,1]=4 205 B5R0.3 CCC(N)CO 14779 [0,2,0,0,0,0|0,1,0]=3 206 B5R0.3 CCP(Cl)CC 6480 [0,2,0,0,0,0|1,0,0]=3 207 B5R0.3 CC[C@@H](O)CO 14093 [0,2,0,0,0,0|0,1,0]=3 208 B5R0.3 CC[C@H](C)C#N 32183 [0,2,0,0,0,0|1,0,0]=3 209 B5R0.3 CC[C@H](C)CN 16256 [0,2,0,0,0,0|1,0,0]=3 210 B5R0.3 CC[C@H](O)CO 14096 [0,2,0,0,0,0|0,1,0]=3 211 B5R0.3 COC(=O)CN 10899 [0,2,0,0,0,0|1,0,1]=4 212 B5R0.3 COC(=O)CS 10788 [0,2,0,0,0,0|0,0,1]=3 213 B5R0.3 CO[C@@H](C)CN 17733 [0,2,0,0,0,0|1,0,0]=3 214 B5R0.3 CO[C@@H](C)CN 17747 [0,2,0,0,0,0|1,0,0]=3 215 B5R0.3 CO[C@@H](C)CO 26646 [0,2,0,0,0,0|0,1,0]=3 216 B5R0.3 CO[C@H](C)CN 17734 [0,2,0,0,0,0|1,0,0]=3 217 B5R0.3 CO[C@H](C)CN 17748 [0,2,0,0,0,0|1,0,0]=3 218 B5R0.3 NC(CO)CO 11931 [0,2,0,0,0,0|0,1,0]=3 219 B5R0.3 NC[C@@H](O)CO 5711 [0,2,0,0,0,0|0,1,0]=3 220 B5R0.3 NC[C@H](O)CCl 34211 [0,2,0,0,0,0|1,0,0]=3 221 B5R0.3 NC[C@H](O)CO 5712 [0,2,0,0,0,0|0,1,0]=3 222 B5R0.3 O=C(CO)CO 4053 [0,2,0,0,0,0|0,1,1]=4 223 B5R0.3 O=CC(O)CO 13962 [0,2,0,0,0,0|0,1,1]=4 224 B5R0.3 O=C[C@@H](O)CO 6339 [0,2,0,0,0,0|0,1,1]=4 225 B5R0.3 O=C[C@@H](O)CO 6340 [0,2,0,0,0,0|0,1,1]=4 226 B5R0.3 O=C[C@H](O)CO 6338 [0,2,0,0,0,0|0,1,1]=4 227 B5R0.3 OC(CCl)CCl 5871 [0,2,0,0,0,0|1,0,0]=3 228 B5R0.3 OCC(O)CCl 21311 [0,2,0,0,0,0|0,1,0]=3 229 B5R0.3 OCC(O)CO 16092 [0,2,0,0,0,0|0,1,0]=3 230 B5R0.3 OC[C@@H](O)CCl 5741 [0,2,0,0,0,0|0,1,0]=3 231 B5R0.3 OC[C@H](O)CCl 5740 [0,2,0,0,0,0|0,1,0]=3 232 B5R0.4 C#CC(C)(C)C 12530 [0,2,0,0,0,0|1,0,1]=4 233 B5R0.4 C=CC(C)(C)O 36012 [0,2,0,0,0,0|1,0,1]=4 234 B5R0.4 CC(C)(C)C#N 29032 [0,2,0,0,0,0|1,0,1]=4 235 B5R0.4 CC(C)(C)C=O 1910 [0,2,0,0,0,0|0,1,1]=4 236 B5R0.4 CC(C)(C)CN 28998 [0,2,0,0,0,0|1,0,0]=3 237 B5R0.4 CC(C)(C)N=O 45117 [0,2,0,0,0,0|1,1,0]=4 238 B5R0.4 CC(C)(C)NN 35993 [0,2,0,0,0,0|2,0,0]=4 239 B5R0.4 CC(C)(C)ON 19621 [0,2,0,0,0,0|2,0,0]=4 240 B5R0.4 CC(C)(F)C#N 22301 [0,2,0,0,0,0|1,0,1]=4 241 B5R0.4 CC(C)(N)C#N 25459 [0,2,0,0,0,0|1,0,1]=4 242 B5R0.4 CC(C)(N)CN 28209 [0,2,0,0,0,0|1,0,0]=3 243 B5R0.4 CC(C)(N)CO 2208 [0,2,0,0,0,0|0,1,0]=3 244 B5R0.4 CC(C)(O)CCl 3675 [0,2,0,0,0,0|1,0,0]=3 245 B5R0.4 CC(C)(O)CN 32121 [0,2,0,0,0,0|1,0,0]=3 246 B5R0.4 CC(C)(S)CN 28945 [0,2,0,0,0,0|1,0,0]=3 247 B5R0.4 CC(F)(F)CN 35941 [0,2,0,0,0,0|1,0,0]=3 248 B5R0.4 CC(F)(F)CO 35038 [0,2,0,0,0,0|0,1,0]=3 249 B5R0.4 CCC(C)(C)O 21405 [0,2,0,0,0,0|0,1,0]=3 250 B5R0.4 C[Si](C)(C)CBr 13669 [0,2,0,0,0,0|1,1,0]=4 251 B5R0.4 C[Si](C)(C)CCl 13668 [0,2,0,0,0,0|1,1,0]=4 252 B5R0.4 C[Si](C)(Cl)CCl 13667 [0,2,0,0,0,0|1,1,0]=4 253 B5R0.4 FC(F)(F)CBr 26156 [0,2,0,0,0,0|2,0,0]=4 254 B5R0.4 FCC(F)(F)F 36090 [0,2,0,0,0,0|2,0,0]=4 255 B5R0.4 NCC(F)(F)F 29092 [0,2,0,0,0,0|2,0,0]=4 256 B5R0.4 OCC(F)(F)Br 35112 [0,2,0,0,0,0|1,1,0]=4 257 B5R0.4 OCC(F)(F)F 12849 [0,2,0,0,0,0|1,1,0]=4 258 B5R0.4 [Li]C[Si](C)(C)C 18144 [0,2,0,0,0,0|1,1,0]=4 259 B5R0.5 CC(=O)C(C)Br 12679 [0,2,0,0,0,0|0,1,1]=4 260 B5R0.5 CC(Br)C(=O)Cl 35707 [0,2,0,0,0,0|0,1,1]=4 261 B5R0.5 CC(Br)C(C)Br 12534 [0,2,0,0,0,0|1,0,0]=3 262 B5R0.5 CC(C)B(O)O 7987 [0,2,0,0,0,0|1,1,0]=4 263 B5R0.5 CC(C)C(=O)Cl 18648 [0,2,0,0,0,0|0,1,1]=4 264 B5R0.5 CC(C)C(C)O 32297 [0,2,0,0,0,0|0,1,0]=3 265 B5R0.5 CC(C)C(N)=O 21345 [0,2,0,0,0,0|0,1,1]=4 266 B5R0.5 CC(Cl)C(=O)O 5746 [0,2,0,0,0,0|0,1,1]=4 267 B5R0.5 CC(F)C(=O)O 13698 [0,2,0,0,0,0|0,1,1]=4 268 B5R0.5 CC(N)B(O)O 33616 [0,2,0,0,0,0|1,1,0]=4 269 B5R0.5 CC(N)C(=O)O 11009 [0,2,0,0,0,0|0,1,1]=4 270 B5R0.5 CC(O)C(=O)O 30331 [0,2,0,0,0,0|0,1,1]=4 271 B5R0.5 CC(O)C(=O)[O-] 20459 [0,2,0,0,0,0|0,1,1]=4 272 B5R0.5 C[C@@H](Br)C(=O)O 26125 [0,2,0,0,0,0|0,1,1]=4 273 B5R0.5 C[C@@H](Cl)C(=O)O 5747 [0,2,0,0,0,0|0,1,1]=4 274 B5R0.5 C[C@@H](N)B(O)O 33655 [0,2,0,0,0,0|1,1,0]=4 275 B5R0.5 C[C@@H](N)C(=O)O 11002 [0,2,0,0,0,0|0,1,1]=4 276 B5R0.5 C[C@@H](N)C(N)=O 12667 [0,2,0,0,0,0|0,1,1]=4 277 B5R0.5 C[C@@H](O)C(=O)O 16738 [0,2,0,0,0,0|0,1,1]=4 278 B5R0.5 C[C@H](Br)C(=O)O 8278 [0,2,0,0,0,0|0,1,1]=4 279 B5R0.5 C[C@H](N)B(O)O 33647 [0,2,0,0,0,0|1,1,0]=4 280 B5R0.5 C[C@H](N)C(=O)O 12862 [0,2,0,0,0,0|0,1,1]=4 281 B5R0.5 C[C@H](N)C(N)=O 5715 [0,2,0,0,0,0|0,1,1]=4 282 B5R0.5 C[C@H](O)C(=O)O 26021 [0,2,0,0,0,0|0,1,1]=4 283 B5R0.5 [*]C(=O)[C@H](C)N 24898 [0,2,0,0,0,0|0,1,1]=4 284 B5R0.2 BrCCCCBr 3870 [0,2,0,0,0,0|1,0,0]=3 285 B5R0.2 BrC\C=C\CBr 9987 [0,2,0,0,0,0|1,0,1]=4 286 B5R0.2 C#CCCCC 13057 [0,2,0,0,0,0|1,0,0]=3 287 B5R0.2 C#CCCCCl 34956 [0,2,0,0,0,0|1,0,0]=3 288 B5R0.2 C#CCCCO 2025 [0,2,0,0,0,0|0,1,0]=3 289 B5R0.2 C=COCCCl 17316 [0,2,0,0,0,0|1,0,1]=4 290 B5R0.2 CCC#CCBr 35958 [0,2,0,0,0,0|1,0,0]=3 291 B5R0.2 CCCC#CO 13063 [0,2,0,0,0,0|0,1,0]=3 292 B5R0.2 CCCCCI 3960 [0,2,0,0,0,0|1,0,0]=3 293 B5R0.2 CCCNCC 10270 [0,2,0,0,0,0|1,0,0]=3 294 B5R0.2 CCOCCBr 12476 [0,2,0,0,0,0|1,0,0]=3 295 B5R0.2 CCOCCCl 1932 [0,2,0,0,0,0|1,0,0]=3 296 B5R0.2 CNCCCN 26279 [0,2,0,0,0,0|1,0,0]=3 297 B5R0.2 CNCCCO 30456 [0,2,0,0,0,0|0,1,0]=3 298 B5R0.2 CNCCNC 31976 [0,2,0,0,0,0|1,0,0]=3 299 B5R0.2 COCCC#N 24839 [0,2,0,0,0,0|1,0,0]=3 300 B5R0.2 COCCC=O 24309 [0,2,0,0,0,0|0,1,0]=3 301 B5R0.2 COCCCBr 11240 [0,2,0,0,0,0|0,1,0]=3 302 B5R0.2 COCCCCl 18632 [0,2,0,0,0,0|0,1,0]=3 303 B5R0.2 COCCCN 16804 [0,2,0,0,0,0|0,1,0]=3 304 B5R0.2 COCCCO 1936 [0,2,0,0,0,0|0,1,0]=3 305 B5R0.2 COCCOC 18652 [0,2,0,0,0,0|0,1,0]=3 306 B5R0.2 ClCC#CCCl 35604 [0,2,0,0,0,0|1,0,1]=4 307 B5R0.2 ClCCCCBr 36136 [0,2,0,0,0,0|1,0,0]=3 308 B5R0.2 ClC\C=C\CCl 18743 [0,2,0,0,0,0|1,0,1]=4 309 B5R0.2 ClC\C=C\CCl 29077 [0,2,0,0,0,0|1,0,1]=4 310 B5R0.2 ICCCCI 3842 [0,2,0,0,0,0|1,0,0]=3 311 B5R0.2 N#CCCC#N 19068 [0,2,0,0,0,0|1,0,1]=4 312 B5R0.2 N#CCCCBr 28726 [0,2,0,0,0,0|1,0,0]=3 313 B5R0.2 N#CCCCCl 26537 [0,2,0,0,0,0|1,0,0]=3 314 B5R0.2 NCCCCN 25424 [0,2,0,0,0,0|1,0,0]=3 315 B5R0.2 NC\C=C\CCl 25442 [0,2,0,0,0,0|1,0,1]=4 316 B5R0.2 OCCCCCl 17292 [0,2,0,0,0,0|0,1,0]=3 317 B5R0.2 OCCCCCl 23235 [0,2,0,0,0,0|0,1,0]=3 318 B5R0.2 OC\C=C\CCl 29079 [0,2,0,0,0,0|0,1,1]=4 319 B5R0.2 OC\C=C\CO 13982 [0,2,0,0,0,0|0,1,1]=4 320 B5R0.2 O\C=C\CCO 35113 [0,2,0,0,0,0|0,1,1]=4 321 B5R1.2 BrC1COC1 35713 [0,1,0,1,0,0|0,1,0]=3 322 B5R1.2 FC1CNC1 10162 [0,1,0,1,0,0|1,0,0]=3 323 B5R1.2 FC1CNC1 24864 [0,1,0,1,0,0|1,0,0]=3 324 B5R1.2 IC1COC1 29373 [0,1,0,1,0,0|0,1,0]=3 325 B5R1.2 NC1CCC1 11047 [0,1,0,1,0,0|1,0,0]=3 326 B5R1.2 NC1CCC1 35736 [0,1,0,1,0,0|1,0,0]=3 327 B5R1.2 NC1COC1 20414 [0,1,0,1,0,0|0,1,0]=3 328 B5R1.2 O=C1CCC1 9021 [0,1,0,1,0,0|0,1,0]=3 329 B5R1.2 O=C1CCO1 2546 [0,1,0,1,0,0|0,1,1]=4 330 B5R1.2 O=C1COC1 15880 [0,1,0,1,0,0|0,1,1]=4 331 B5R1.2 O=C1CSC1 25389 [0,1,0,1,0,0|0,0,1]=3 332 B5R1.2 OC1CCC1 27295 [0,1,0,1,0,0|0,1,0]=3 333 B5R1.2 OC1CNC1 10157 [0,1,0,1,0,0|0,1,0]=3 334 B5R1.2 OC1CNC1 12930 [0,1,0,1,0,0|0,1,0]=3 335 B5R1.2 OC1COC1 17367 [0,1,0,1,0,0|0,1,0]=3 336 B5R1.3 BrCC1CC1 13771 [0,1,0,1,0,0|1,0,0]=3 337 B5R1.3 BrCC1CO1 21362 [0,1,0,1,0,0|0,1,0]=3 338 B5R1.3 C=CC1CO1 23575 [0,1,0,1,0,0|0,1,1]=4 339 B5R1.3 CC[C@@H]1CO1 14098 [0,1,0,1,0,0|0,1,0]=3 340 B5R1.3 CC[C@H]1CO1 14100 [0,1,0,1,0,0|0,1,0]=3 341 B5R1.3 ClCC1CC1 10983 [0,1,0,1,0,0|1,0,0]=3 342 B5R1.3 ClCC1CO1 5779 [0,1,0,1,0,0|0,1,0]=3 343 B5R1.3 ClCC1CO1 5780 [0,1,0,1,0,0|0,1,0]=3 344 B5R1.3 NNC1CC1 45053 [0,1,0,1,0,0|1,0,0]=3 345 B5R1.3 O=CC1CC1 12460 [0,1,0,1,0,0|0,1,0]=3 346 B5R1.3 OCC1CC1 9773 [0,1,0,1,0,0|0,1,0]=3 347 B5R1.3 OCC1CO1 21960 [0,1,0,1,0,0|0,1,0]=3 348 B5R1.3 OC[C@@H]1CO1 5832 [0,1,0,1,0,0|0,1,0]=3 349 B5R1.3 OC[C@H]1CO1 5836 [0,1,0,1,0,0|0,1,0]=3 350 B5R1.4 CC1OC1C 35217 [0,1,0,1,0,0|0,1,0]=3 351 B5R1.5 CC1(C)CO1 12772 [0,1,0,1,0,0|0,1,0]=3 352 B5R1.1 C1=CCNC1 18771 [0,1,0,1,0,0|1,0,1]=4 353 B5R1.1 C1=CCNC1 29078 [0,1,0,1,0,0|1,0,1]=4 354 B5R1.1 C1=CCOC1 3987 [0,1,0,1,0,0|0,1,1]=4 355 B5R1.1 C1=COCC1 12854 [0,1,0,1,0,0|0,1,1]=4 356 B5R1.1 C1=NCCO1 24989 [0,1,0,1,0,0|0,1,1]=4 357 B5R1.1 C1=NCCO1 8622 [0,1,0,1,0,0|0,1,1]=4 358 B5R1.1 C1CCNC1 19143 [0,1,0,1,0,0|1,0,0]=3 359 B5R1.1 C1CCOC1 12766 [0,1,0,1,0,0|0,1,0]=3 360 B5R1.1 C1CSCN1 35964 [0,1,0,1,0,0|0,0,0]=2 361 B5R1.1 C1CSCN1 36265 [0,1,0,1,0,0|0,0,0]=2