0 B4R0.2 C#CCCO 13071 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C#CCOC 35042 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C#COCC 12592 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 C=CCCN 10268 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 C=CCCN 36002 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 C=CCCO 18909 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 C=COCC 18645 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.2 CC#CCO 13061 [0,0,0,0,0,0|1,1,2]=4 8 B4R0.2 CCCCBr 3752 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.2 CCCCI 3939 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.2 CCN=C=O 18636 [0,0,0,0,0,0|0,1,0]=1 11 B4R0.2 CCNCC 14036 [0,0,0,0,0,0|1,0,2]=3 12 B4R0.2 CCNCC 17237 [0,0,0,0,0,0|1,0,2]=3 13 B4R0.2 CCOCCl 18683 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.2 CC[B+]CC 26091 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.2 CNCC#N 35842 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.2 CNCCCl 35179 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.2 CNCCN 4020 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.2 COCC#N 28756 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.2 COCCBr 2138 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.2 COCCCl 1911 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.2 COCCO 35138 [0,0,0,0,0,0|2,1,1]=4 22 B4R0.2 CSCCCl 35891 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.2 CSCCN 19131 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.2 CSCCO 10846 [0,0,0,0,0,0|2,1,1]=4 25 B4R0.2 C\C=C\CC 19602 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.2 C\C=C\CO 21075 [0,0,0,0,0,0|1,1,2]=4 27 B4R0.2 ICCCI 3858 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.2 N#CCCBr 25994 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.2 N#CCCN 19134 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.2 N#CCCO 22156 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.2 NCCCBr 18801 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.2 NCCCN 10839 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.2 NNCCO 45109 [0,0,0,0,0,0|4,0,0]=4 34 B3R0.1 C#CCBr 20264 [1,0,0,0,0,0|2,0,1]=4 35 B3R0.1 C#CCN 18842 [1,0,0,0,0,0|2,0,1]=4 36 B3R0.1 C#CCN 18845 [1,0,0,0,0,0|2,0,1]=4 37 B3R0.1 C=CCCl 35025 [1,0,0,0,0,0|2,0,1]=4 38 B3R0.1 C=CCI 12655 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.1 C=CCN 19133 [1,0,0,0,0,0|2,0,1]=4 40 B3R0.1 CCCI 3977 [1,0,0,0,0,0|1,0,1]=3 41 B3R0.1 CCC[S-] 35319 [1,0,0,0,0,0|0,0,2]=3 42 B3R0.1 CCNC 10275 [1,0,0,0,0,0|0,0,2]=3 43 B3R0.1 CCNN 16833 [1,0,0,0,0,0|1,0,1]=3 44 B3R0.1 CCON 35706 [1,0,0,0,0,0|2,0,0]=3 45 B3R0.1 CC[Mg]Br 23799 [1,0,0,0,0,0|2,0,0]=3 46 B3R0.1 CNC=O 35283 [1,0,0,0,0,0|0,1,2]=4 47 B3R0.1 CNOC 25934 [1,0,0,0,0,0|1,0,2]=4 48 B3R0.1 COCBr 23167 [1,0,0,0,0,0|2,0,1]=4 49 B3R0.1 CSSC 9665 [1,0,0,0,0,0|2,0,1]=4 50 B3R0.1 N#CCBr 12656 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.1 N#CCI 12543 [1,0,0,0,0,0|2,0,1]=4 52 B3R0.1 NCCBr 32344 [1,0,0,0,0,0|2,0,1]=4 53 B3R0.1 NCCF 19132 [1,0,0,0,0,0|2,0,1]=4 54 B3R0.1 NCCO 24767 [1,0,0,0,0,0|1,1,1]=4 55 B3R0.1 SCCS 12844 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.1 C#CCC(C)O 26123 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.1 CC(Br)CCBr 3866 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.1 CC(C)CCI 3950 [0,1,0,0,0,0|2,0,1]=4 59 B5R0.1 CC(C)CNN 18739 [0,1,0,0,0,0|3,0,0]=4 60 B5R0.1 CC(C)N=C=S 16501 [0,1,0,0,0,0|0,0,0]=1 61 B5R0.1 CC(N)CCO 29198 [0,1,0,0,0,0|1,1,1]=4 62 B5R0.1 CCCB(O)O 6019 [0,1,0,0,0,0|2,1,0]=4 63 B5R0.1 CCCC(=N)N 16315 [0,1,0,0,0,0|2,0,1]=4 64 B5R0.1 CCCC(=O)Cl 13241 [0,1,0,0,0,0|1,1,1]=4 65 B5R0.1 CCCC(C)N 26317 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.1 CCC[C@@H](C)O 6721 [0,1,0,0,0,0|1,1,1]=4 67 B5R0.1 CCC[C@H](C)O 6719 [0,1,0,0,0,0|1,1,1]=4 68 B5R0.1 CCNC(C)C 10283 [0,1,0,0,0,0|1,0,2]=4 69 B5R0.1 CCOC(=S)[S-] 36079 [0,1,0,0,0,0|1,0,1]=3 70 B5R0.1 CCOC(C)=N 2020 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.1 CCSC(C)=S 12459 [0,1,0,0,0,0|1,0,1]=3 72 B5R0.1 COCC(C)O 1904 [0,1,0,0,0,0|3,0,0]=4 73 B5R0.1 COC[C@@H](C)O 6714 [0,1,0,0,0,0|3,0,0]=4 74 B5R0.1 COC[C@H](C)O 6715 [0,1,0,0,0,0|3,0,0]=4 75 B5R0.1 C[C@@H](O)CCO 6724 [0,1,0,0,0,0|1,1,1]=4 76 B5R0.1 C[C@H](O)CCO 6722 [0,1,0,0,0,0|1,1,1]=4 77 B5R0.2 BrCCCCBr 3870 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.2 C#CCCCC 13057 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.2 C#CCCCCl 34956 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.2 C#CCCCO 2025 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.2 C=COCCCl 17316 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.2 CCC#CCBr 35958 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.2 CCCC#CO 13063 [0,1,0,0,0,0|1,1,1]=4 84 B5R0.2 CCCCCI 3960 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.2 CCCNCC 10270 [0,1,0,0,0,0|1,0,2]=4 86 B5R0.2 CCOCCBr 12476 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.2 CCOCCCl 1932 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.2 CNCCCN 26279 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.2 CNCCCO 30456 [0,1,0,0,0,0|1,1,1]=4 90 B5R0.2 CNCCNC 31976 [0,1,0,0,0,0|3,0,0]=4 91 B5R0.2 COCCC#N 24839 [0,1,0,0,0,0|2,0,1]=4 92 B5R0.2 COCCC=O 24309 [0,1,0,0,0,0|1,1,1]=4 93 B5R0.2 COCCCBr 11240 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.2 COCCCCl 18632 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.2 COCCCN 16804 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.2 COCCCO 1936 [0,1,0,0,0,0|1,1,1]=4 97 B5R0.2 COCCOC 18652 [0,1,0,0,0,0|3,0,0]=4 98 B5R0.2 ClCCCCBr 36136 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.2 ICCCCI 3842 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.2 N#CCCCBr 28726 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.2 N#CCCCCl 26537 [0,1,0,0,0,0|2,0,1]=4 102 B5R0.2 NCCCCN 25424 [0,1,0,0,0,0|2,0,1]=4 103 B5R0.2 OCCCCCl 17292 [0,1,0,0,0,0|1,1,1]=4 104 B5R0.2 OCCCCCl 23235 [0,1,0,0,0,0|1,1,1]=4 105 B5R0.2 O\C=C\CCO 35113 [0,1,0,0,0,0|1,1,1]=4 106 B5R0.3 C#CC(O)CC 26391 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.3 CCC(N)CO 14779 [0,1,0,0,0,0|1,1,1]=4 108 B5R0.3 CCP(Cl)CC 6480 [0,1,0,0,0,0|1,1,1]=4 109 B5R0.3 CC[C@@H](O)CO 14093 [0,1,0,0,0,0|1,1,1]=4 110 B5R0.3 CC[C@H](C)C#N 32183 [0,1,0,0,0,0|2,0,1]=4 111 B5R0.3 CC[C@H](C)CN 16256 [0,1,0,0,0,0|2,0,1]=4 112 B5R0.3 CC[C@H](O)CO 14096 [0,1,0,0,0,0|1,1,1]=4 113 B5R1.1 C1=COCC1 12854 [0,0,0,1,0,0|1,1,1]=4 114 B5R1.1 C1=NCCO1 24989 [0,0,0,1,0,0|0,1,1]=3 115 B5R1.1 C1=NCCO1 8622 [0,0,0,1,0,0|0,1,1]=3 116 B5R1.1 C1CCNC1 19143 [0,0,0,1,0,0|1,0,2]=4 117 B5R1.1 C1CCOC1 12766 [0,0,0,1,0,0|1,1,1]=4 118 B5R1.1 C1CSCN1 35964 [0,0,0,1,0,0|0,0,3]=4 119 B5R1.1 C1CSCN1 36265 [0,0,0,1,0,0|0,0,3]=4 120 B5R1.2 NC1CCC1 11047 [0,0,0,1,0,0|2,0,1]=4 121 B5R1.2 NC1CCC1 35736 [0,0,0,1,0,0|2,0,1]=4 122 B5R1.2 O=C1CCC1 9021 [0,0,0,1,0,0|1,1,1]=4 123 B5R1.2 O=C1CCO1 2546 [0,0,0,1,0,0|1,1,1]=4 124 B5R1.2 OC1CCC1 27295 [0,0,0,1,0,0|1,1,1]=4 125 B5R1.3 BrCC1CC1 13771 [0,0,0,1,0,0|2,0,1]=4 126 B5R1.3 CC[C@@H]1CO1 14098 [0,0,0,1,0,0|1,1,1]=4 127 B5R1.3 CC[C@H]1CO1 14100 [0,0,0,1,0,0|1,1,1]=4 128 B5R1.3 ClCC1CC1 10983 [0,0,0,1,0,0|2,0,1]=4 129 B5R1.3 NNC1CC1 45053 [0,0,0,1,0,0|3,0,0]=4 130 B5R1.3 O=CC1CC1 12460 [0,0,0,1,0,0|1,1,1]=4 131 B5R1.3 OCC1CC1 9773 [0,0,0,1,0,0|1,1,1]=4 132 B5R1.4 CC1OC1C 35217 [0,0,0,1,0,0|2,0,1]=4 133 B2R0.1 CCI 21355 [2,0,0,0,0,0|1,0,0]=3 134 B2R0.1 CCN 45201 [2,0,0,0,0,0|0,0,1]=3 135 B2R0.1 CC[O-] 26132 [2,0,0,0,0,0|0,1,0]=3 136 B2R0.1 CNC 18186 [2,0,0,0,0,0|0,0,2]=4 137 B2R0.1 CSC 14218 [2,0,0,0,0,0|1,0,1]=4 138 B2R0.1 CSC 36251 [2,0,0,0,0,0|1,0,1]=4 139 B2R0.1 C[Mg]Br 20745 [2,0,0,0,0,0|2,0,0]=4 140 B2R0.1 ClCBr 2209 [2,0,0,0,0,0|2,0,0]=4 141 B2R0.1 FCBr 2382 [2,0,0,0,0,0|2,0,0]=4 142 B2R0.1 FCCl 35673 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 C#C[C@@H](C)O 20211 [1,1,0,0,0,0|1,0,1]=4 144 B4R0.1 CC(C)CI 3951 [1,1,0,0,0,0|1,0,1]=4 145 B4R0.1 CC(C)NN 26972 [1,1,0,0,0,0|1,0,1]=4 146 B4R0.1 CC(O)CBr 12555 [1,1,0,0,0,0|1,0,1]=4 147 B4R0.1 CCB(O)O 7960 [1,1,0,0,0,0|1,1,0]=4 148 B4R0.1 CCC(C)Br 3753 [1,1,0,0,0,0|1,0,1]=4 149 B4R0.1 CCC(C)I 3940 [1,1,0,0,0,0|1,0,1]=4 150 B4R0.1 CCC(C)O 6718 [1,1,0,0,0,0|0,1,1]=4 151 B4R0.1 CCC([NH-])=O 10938 [1,1,0,0,0,0|0,1,1]=4 152 B4R0.1 CCN(C)C 10322 [1,1,0,0,0,0|0,0,2]=4 153 B4R0.1 CCS(=O)[O-] 24643 [1,1,0,0,0,0|1,1,0]=4 154 B4R0.1 CC[C@@H](C)N 6741 [1,1,0,0,0,0|1,0,1]=4 155 B4R0.1 CC[C@@H](C)O 6717 [1,1,0,0,0,0|0,1,1]=4 156 B4R0.1 CC[C@H](C)N 6743 [1,1,0,0,0,0|1,0,1]=4 157 B4R0.1 CNC(C)C 10279 [1,1,0,0,0,0|0,0,2]=4 158 B4R0.1 CNC(N)=S 35584 [1,1,0,0,0,0|0,0,2]=4 159 B4R0.1 C[C@@H](Cl)CO 8287 [1,1,0,0,0,0|0,1,1]=4 160 B4R0.1 C[C@@H](N)CN 29215 [1,1,0,0,0,0|1,0,1]=4 161 B4R0.1 C[C@@H](N)CO 9884 [1,1,0,0,0,0|0,1,1]=4 162 B4R0.1 C[C@@H](O)CBr 23955 [1,1,0,0,0,0|1,0,1]=4 163 B4R0.1 C[C@@H](O)CCl 14071 [1,1,0,0,0,0|1,0,1]=4 164 B4R0.1 C[C@@H](O)CI 23956 [1,1,0,0,0,0|1,0,1]=4 165 B4R0.1 C[C@@H](O)CN 5721 [1,1,0,0,0,0|1,0,1]=4 166 B4R0.1 C[C@@H](O)CO 5857 [1,1,0,0,0,0|0,1,1]=4 167 B4R0.1 C[C@H](Cl)CO 8285 [1,1,0,0,0,0|0,1,1]=4 168 B4R0.1 C[C@H](N)CN 15232 [1,1,0,0,0,0|1,0,1]=4 169 B4R0.1 C[C@H](N)CO 5710 [1,1,0,0,0,0|0,1,1]=4 170 B4R0.1 C[C@H](O)CBr 20478 [1,1,0,0,0,0|1,0,1]=4 171 B4R0.1 C[C@H](O)CCl 14072 [1,1,0,0,0,0|1,0,1]=4 172 B4R0.1 C[C@H](O)CN 5720 [1,1,0,0,0,0|1,0,1]=4 173 B4R0.1 C[C@H](O)CO 5853 [1,1,0,0,0,0|0,1,1]=4 174 B4R0.1 C\C(N)=N\O 31948 [1,1,0,0,0,0|0,1,1]=4 175 B4R0.1 [C-]#[N+]C(C)C 29396 [1,1,0,0,0,0|0,0,2]=4 176 B6R0.5 C[Si](C)(C)N=C=O 35917 [0,2,0,0,0,0|0,2,0]=4 177 B4R1.1 C1CNC1 22634 [1,0,0,1,0,0|0,0,2]=4 178 B4R1.2 BrC1CC1 14417 [1,0,0,1,0,0|1,0,1]=4 179 B4R1.2 C[C@@H]1CO1 5829 [1,0,0,1,0,0|0,1,1]=4 180 B4R1.2 C[C@H]1CO1 5828 [1,0,0,1,0,0|0,1,1]=4 181 B4R1.2 OC1CC1 34599 [1,0,0,1,0,0|0,1,1]=4 182 B6R1.2 CC1=NCCC1 9412 [0,1,0,1,0,0|1,0,1]=4 183 B6R1.2 CC1=NCCN1 10179 [0,1,0,1,0,0|1,0,1]=4 184 B6R1.2 NC1=NCCC1 32058 [0,1,0,1,0,0|1,0,1]=4 185 B6R1.2 NC1=NCCS1 17230 [0,1,0,1,0,0|0,0,2]=4 186 B6R1.2 OC1=NNCC1 44776 [0,1,0,1,0,0|0,1,1]=4 187 B6R1.2 S=C1CCCN1 20272 [0,1,0,1,0,0|0,0,2]=4 188 B6R1.2 S=C1NCCS1 14579 [0,1,0,1,0,0|0,0,2]=4 189 B6R1.3 S=C=NC1CC1 22785 [0,1,0,1,0,0|0,0,0]=2 190 B6R1.11 NC(=S)C1CC1 29327 [0,1,0,1,0,0|1,0,1]=4