0 B4R1.2 C1CC1Br PI-20927 [0,0,0,0,0,0|2,0,0]=2 1 B4R1.2 C[C@@H]1CO1 PI-10840 [0,0,0,0,0,0|0,0,0]=0 2 B4R1.2 C[C@H]1CO1 PI-10843 [0,0,0,0,0,0|0,0,0]=0 3 B4R1.2 NC1CC1 PI-10868 [0,0,0,0,0,0|2,0,0]=2 4 B5R1.3 BrCC1CC1 PI-12057 [0,1,0,0,0,0|1,0,0]=2 5 B5R1.3 C#CC1CC1 PI-12107 [0,1,0,0,0,0|1,0,1]=3 6 B5R1.3 C1C(O1)CO PI-10360 [0,1,0,0,0,0|0,0,0]=1 7 B5R1.3 C1CC1CN PI-17835 [0,1,0,0,0,0|1,0,0]=2 8 B5R1.3 C1CC1NN PI-45737 [0,1,0,0,0,0|2,0,0]=3 9 B5R1.3 ClCC1OC1 PI-37744 [0,1,0,0,0,0|0,0,0]=1 10 B5R1.3 ClC[C@@H]1CO1 PI-16630 [0,1,0,0,0,0|0,0,0]=1 11 B5R1.3 ClC[C@H]1CO1 PI-16629 [0,1,0,0,0,0|0,0,0]=1 12 B5R1.3 FCC1CO1 PI-22023 [0,1,0,0,0,0|0,0,0]=1 13 B5R1.3 N#CC1CC1 PI-31230 [0,1,0,0,0,0|1,0,1]=3 14 B5R1.3 NCC1CC1 PI-12825 [0,1,0,0,0,0|1,0,0]=2 15 B5R1.3 NNC1CC1 PI-38386 [0,1,0,0,0,0|2,0,0]=3 16 B5R1.3 O=CC1CC1 PI-39221 [0,1,0,0,0,0|1,0,1]=3 17 B5R1.3 OC[C@H]1CO1 PI-10359 [0,1,0,0,0,0|0,0,0]=1 18 B5R1.4 C1[C@H]([C@@H]1N)N PI-49016 [0,1,0,0,0,0|2,0,0]=3 19 B3R0.1 BrCC#N PI-20513 [0,0,1,0,0,0|2,0,1]=4 20 B3R0.1 C(CBr)Cl PI-44621 [0,0,1,0,0,0|2,0,0]=3 21 B3R0.1 C(CF)F PI-21164 [0,0,1,0,0,0|2,0,0]=3 22 B3R0.1 C(CS)N PI-39848 [0,0,1,0,0,0|1,1,0]=3 23 B3R0.1 C(F)CN PI-41615 [0,0,1,0,0,0|2,0,0]=3 24 B3R0.1 CCC=O PI-28552 [0,0,1,0,0,0|0,0,2]=3 25 B3R0.1 CCCN PI-46904 [0,0,1,0,0,0|1,0,0]=2 26 B3R0.1 CCCN PI-46913 [0,0,1,0,0,0|1,0,0]=2 27 B3R0.1 CNCC PI-40147 [0,0,1,0,0,0|1,0,0]=2 28 B3R0.1 COCBr PI-22152 [0,0,1,0,0,0|1,0,0]=2 29 B3R0.1 CONC PI-16632 [0,0,1,0,0,0|1,0,0]=2 30 B3R0.1 C\C=N\O PI-37002 [0,0,1,0,0,0|1,0,1]=3 31 B3R0.1 NCC#C PI-38458 [0,0,1,0,0,0|1,0,2]=4 32 B3R0.1 NCC#N PI-38793 [0,0,1,0,0,0|2,0,1]=4 33 B3R0.1 NCCN PI-38127 [0,0,1,0,0,0|2,0,0]=3 34 B3R0.1 NCCN PI-38389 [0,0,1,0,0,0|2,0,0]=3 35 B3R0.1 OCCBr PI-37291 [0,0,1,0,0,0|1,0,0]=2 36 B3R0.1 [CH2-]CCC PI-37346 [0,0,1,0,0,0|1,0,0]=2 37 B3R0.2 C(Cl)(Br)Br PI-23709 [0,0,1,0,0,0|3,0,0]=4 38 B3R0.2 CB(O)O PI-24088 [0,0,1,0,0,0|2,0,0]=3 39 B3R0.2 CC(=O)O PI-11632 [0,0,1,0,0,0|1,0,1]=3 40 B3R0.2 CC(=O)O PI-38547 [0,0,1,0,0,0|1,0,1]=3 41 B3R0.2 CC(=O)[O-] PI-20290 [0,0,1,0,0,0|1,0,2]=4 42 B3R0.2 CC(=S)N PI-16528 [0,0,1,0,0,0|1,1,1]=4 43 B3R0.2 CC(C)[O-] PI-47044 [0,0,1,0,0,0|0,0,1]=2 44 B3R0.2 CC([O-])=S PI-36444 [0,0,1,0,0,0|1,0,2]=4 45 B3R0.2 C[S+](C)C PI-41785 [0,0,1,0,0,0|2,0,0]=3 46 B3R0.2 [O-]C(=O)C PI-37083 [0,0,1,0,0,0|1,0,2]=4 47 B3R0.2 [O-]C(=O)C PI-41421 [0,0,1,0,0,0|1,0,2]=4 48 B5R1.2 BrC1CCC1 PI-37245 [0,0,0,0,0,1|2,0,0]=3 49 B5R1.2 C1C(=O)CN1 PI-48919 [0,0,0,0,0,1|2,0,1]=4 50 B5R1.2 FC1CNC1 PI-36097 [0,0,0,0,0,1|2,0,0]=3 51 B5R1.2 NC1CCC1 PI-15786 [0,0,0,0,0,1|2,0,0]=3 52 B5R1.2 NC1COC1 PI-41949 [0,0,0,0,0,1|1,0,0]=2 53 B5R1.2 O=C1CCC1 PI-36783 [0,0,0,0,0,1|2,0,1]=4 54 B5R1.2 O=C1COC1 PI-38969 [0,0,0,0,0,1|1,0,1]=3 55 B5R1.2 OC1CNC1 PI-20728 [0,0,0,0,0,1|2,0,0]=3 56 B5R1.2 OC1COC1 PI-38454 [0,0,0,0,0,1|1,0,0]=2 57 B2R0.1 C(F)I PI-46452 [1,0,1,0,0,0|2,0,0]=4 58 B2R0.1 CNO PI-24407 [1,0,1,0,0,0|1,0,0]=3 59 B2R0.1 CON PI-12344 [1,0,1,0,0,0|1,0,0]=3 60 B2R0.1 CSC PI-50002 [1,0,1,0,0,0|0,1,0]=3 61 B2R0.1 ON=O PI-38467 [1,0,1,0,0,0|2,0,0]=4 62 B4R0.1 C(C(F)F)N PI-48941 [0,1,1,0,0,0|2,0,0]=4 63 B4R0.1 CC(=C)CBr PI-46510 [0,1,1,0,0,0|1,0,1]=4 64 B4R0.1 CC(=O)CBr PI-38994 [0,1,1,0,0,0|1,0,1]=4 65 B4R0.1 CC(C#C)O PI-44141 [0,1,1,0,0,0|0,0,2]=4 66 B4R0.1 CC(C)CN PI-46903 [0,1,1,0,0,0|1,0,0]=3 67 B4R0.1 CC(C)NC PI-41120 [0,1,1,0,0,0|1,0,0]=3 68 B4R0.1 CC(CN)O PI-16659 [0,1,1,0,0,0|1,0,0]=3 69 B4R0.1 CC(CO)O PI-16674 [0,1,1,0,0,0|0,0,0]=2 70 B4R0.1 CC(O)=NO PI-10772 [0,1,1,0,0,0|1,0,1]=4 71 B4R0.1 CC(O)C#C PI-43256 [0,1,1,0,0,0|0,0,2]=4 72 B4R0.1 CCB(O)O PI-25578 [0,1,1,0,0,0|1,0,0]=3 73 B4R0.1 CCC(=N)N PI-35437 [0,1,1,0,0,0|1,0,1]=4 74 B4R0.1 CCC(C)O PI-15619 [0,1,1,0,0,0|0,0,0]=2 75 B4R0.1 CNN(C)C PI-40655 [0,1,1,0,0,0|2,0,0]=4 76 B4R0.1 COC(=N)N PI-30686 [0,1,1,0,0,0|1,0,1]=4 77 B4R0.1 C[C@@H](CO)N PI-12236 [0,1,1,0,0,0|0,0,0]=2 78 B4R0.1 C[C@@H](N)CO PI-16472 [0,1,1,0,0,0|0,0,0]=2 79 B4R0.1 C[C@@H](O)CN PI-12234 [0,1,1,0,0,0|1,0,0]=3 80 B4R0.1 NC[C@@H](N)C PI-39121 [0,1,1,0,0,0|1,0,0]=3 81 B4R0.1 NNC(C)C PI-37110 [0,1,1,0,0,0|2,0,0]=4 82 B4R0.1 OCC(F)F PI-21165 [0,1,1,0,0,0|1,0,0]=3 83 B4R0.1 OC[C@H](O)C PI-16673 [0,1,1,0,0,0|0,0,0]=2 84 B4R0.2 C#CCCCl PI-38919 [0,1,1,0,0,0|1,0,1]=4 85 B4R0.2 C#CCCN PI-40906 [0,1,1,0,0,0|1,0,1]=4 86 B4R0.2 C#CCCO PI-16501 [0,1,1,0,0,0|0,0,1]=3 87 B4R0.2 C(CF)CF PI-21236 [0,1,1,0,0,0|1,0,0]=3 88 B4R0.2 C(CF)CI PI-41494 [0,1,1,0,0,0|1,0,0]=3 89 B4R0.2 C(CN)CN PI-19035 [0,1,1,0,0,0|1,0,0]=3 90 B4R0.2 C(CN)CN PI-46906 [0,1,1,0,0,0|1,0,0]=3 91 B4R0.2 C(CN)CS PI-39174 [0,1,1,0,0,0|0,1,0]=3 92 B4R0.2 C(CO)CBr PI-15814 [0,1,1,0,0,0|0,0,0]=2 93 B4R0.2 C(CO)CI PI-50488 [0,1,1,0,0,0|0,0,0]=2 94 B4R0.2 C(CS)CS PI-11004 [0,1,1,0,0,0|0,1,0]=3 95 B4R0.2 C=CCCBr PI-20589 [0,1,1,0,0,0|1,0,1]=4 96 B4R0.2 C=CCON PI-47075 [0,1,1,0,0,0|0,0,2]=4 97 B4R0.2 CC#CCBr PI-20598 [0,1,1,0,0,0|1,0,1]=4 98 B4R0.2 CC#CCO PI-15652 [0,1,1,0,0,0|0,0,1]=3 99 B4R0.2 CC=CCO PI-41583 [0,1,1,0,0,0|0,0,1]=3 100 B4R0.2 CCCCCl PI-44613 [0,1,1,0,0,0|1,0,0]=3 101 B4R0.2 CCCNC PI-39187 [0,1,1,0,0,0|1,0,0]=3 102 B4R0.2 CCOC=C PI-12733 [0,1,1,0,0,0|0,0,1]=3 103 B4R0.2 CNCC#N PI-14282 [0,1,1,0,0,0|1,0,1]=4 104 B4R0.2 CNCC=C PI-41121 [0,1,1,0,0,0|1,0,1]=4 105 B4R0.2 COCCBr PI-21426 [0,1,1,0,0,0|0,0,0]=2 106 B4R0.2 ClCCNC PI-41980 [0,1,1,0,0,0|1,0,0]=3 107 B4R0.2 NCCC#C PI-36764 [0,1,1,0,0,0|1,0,1]=4 108 B4R0.2 OCCCS PI-39546 [0,1,1,0,0,0|0,0,0]=2 109 B4R0.3 CC(C)(C)N PI-49998 [0,1,1,0,0,0|1,0,0]=3 110 B4R0.3 CC(C)(F)F PI-21237 [0,1,1,0,0,0|1,0,0]=3 111 B4R0.3 C[N+](C)(C)C PI-46901 [0,1,1,0,0,0|2,0,0]=4 112 B4R0.3 C[S+](=O)(C)C PI-35968 [0,1,1,0,0,0|1,0,1]=4 113 B4R0.3 C[Si](C)(C)C PI-50125 [0,1,1,0,0,0|1,1,0]=4 114 B4R0.3 C[Si](C)(C)Cl PI-44933 [0,1,1,0,0,0|1,1,0]=4 115 B4R0.3 C[Si](C)(F)F PI-21946 [0,1,1,0,0,0|1,1,0]=4 116 B4R0.3 [O-][N+](C)(C)C PI-30801 [0,1,1,0,0,0|1,0,1]=4 117 B4R0.3 [O-][Si](C)(C)C PI-35304 [0,1,1,0,0,0|0,1,1]=4 118 B6R1.5 C1C(CC1=O)N PI-48953 [0,1,0,0,0,1|2,0,0]=4 119 B6R1.5 OC1CN(C1)C PI-37502 [0,1,0,0,0,1|2,0,0]=4 120 B6R1.6 BrCC1CCC1 PI-28204 [0,1,0,0,0,1|1,0,0]=3 121 B6R1.6 C1C(CO1)C=O PI-48343 [0,1,0,0,0,1|0,0,1]=3 122 B6R1.6 C1C(CO1)CO PI-48337 [0,1,0,0,0,1|0,0,0]=2 123 B6R1.6 C1CC(C1)CO PI-28530 [0,1,0,0,0,1|1,0,0]=3 124 B6R1.6 COC1CNC1 PI-36805 [0,1,0,0,0,1|1,0,0]=3 125 B6R1.6 COC1CNC1 PI-48292 [0,1,0,0,0,1|1,0,0]=3 126 B6R1.6 N#CC1CNC1 PI-36275 [0,1,0,0,0,1|1,0,1]=4 127 B6R1.6 NCC1CCC1 PI-42247 [0,1,0,0,0,1|1,0,0]=3 128 B6R1.6 O=CC1CCC1 PI-36863 [0,1,0,0,0,1|1,0,1]=4 129 B6R1.6 OCC1COC1 PI-38455 [0,1,0,0,0,1|0,0,0]=2 130 B6R1.10 C[Si]1(CCC1)Cl PI-45038 [0,1,0,0,0,1|1,1,0]=4 131 B6R1.3 C1CC1CCI PI-48331 [0,2,0,0,0,0|1,0,0]=3 132 B6R1.3 COCC1CO1 PI-24540 [0,2,0,0,0,0|0,0,0]=2 133 B6R1.3 COCC1CO1 PI-24541 [0,2,0,0,0,0|0,0,0]=2 134 B6R1.3 N#CCC1CC1 PI-13560 [0,2,0,0,0,0|1,0,0]=3 135 B6R1.3 OCCC1CC1 PI-17339 [0,2,0,0,0,0|1,0,0]=3 136 B6R1.7 C1CC1(C#N)Br PI-42963 [0,2,0,0,0,0|1,0,1]=4 137 B6R1.7 C1CC1(C#N)N PI-35838 [0,2,0,0,0,0|1,0,1]=4 138 B6R1.7 C1CC1(CO)N PI-36053 [0,2,0,0,0,0|1,0,0]=3 139 B6R1.7 CC1(CO1)C=C PI-48078 [0,2,0,0,0,0|0,0,0]=2 140 B6R1.7 NCC1(O)CC1 PI-36049 [0,2,0,0,0,0|1,0,0]=3 141 B6R1.7 SCC1(C)CC1 PI-37767 [0,2,0,0,0,0|1,0,0]=3 142 B6R1.11 C1CC1C(=N)N PI-13557 [0,2,0,0,0,0|1,0,1]=4 143 B6R1.11 C1CC1C(=O)Cl PI-32773 [0,2,0,0,0,0|1,0,1]=4 144 B6R1.11 C1CC1C(=O)N PI-30796 [0,2,0,0,0,0|1,0,1]=4 145 B6R1.11 CC(=O)C1CC1 PI-12875 [0,2,0,0,0,0|1,0,0]=3 146 B6R1.11 C[C@@H](C1CC1)N PI-48052 [0,2,0,0,0,0|1,0,0]=3 147 B6R1.11 OB(O)C1CC1 PI-25551 [0,2,0,0,0,0|2,0,0]=4 148 B4R1.1 C1CNC1 PI-35164 [0,0,1,1,0,0|1,0,0]=3 149 B4R1.1 C1CNC1 PI-39009 [0,0,1,1,0,0|1,0,0]=3 150 B6R1.2 C1C=CCC1N PI-35476 [0,0,0,0,0,2|2,0,0]=4 151 B6R1.2 C1CNCC1F PI-37496 [0,0,0,0,0,2|2,0,0]=4 152 B6R1.2 C1CNCC1N PI-12334 [0,0,0,0,0,2|2,0,0]=4 153 B6R1.2 C1CNCC1N PI-15467 [0,0,0,0,0,2|2,0,0]=4 154 B6R1.2 C1CNCC1N PI-15468 [0,0,0,0,0,2|2,0,0]=4 155 B6R1.2 C1CNCC1N PI-16581 [0,0,0,0,0,2|2,0,0]=4 156 B6R1.2 C1CNCC1N PI-16582 [0,0,0,0,0,2|2,0,0]=4 157 B6R1.2 C1CNCC1O PI-10126 [0,0,0,0,0,2|2,0,0]=4 158 B6R1.2 C1CNCC1O PI-42733 [0,0,0,0,0,2|2,0,0]=4 159 B6R1.2 C1COC(=O)N1 PI-10783 [0,0,0,0,0,2|1,0,1]=4 160 B6R1.2 C1COCC1Cl PI-42699 [0,0,0,0,0,2|1,0,0]=3 161 B6R1.2 C1COCC1N PI-42643 [0,0,0,0,0,2|1,0,0]=3 162 B6R1.2 C1COCC1N PI-44061 [0,0,0,0,0,2|1,0,0]=3 163 B6R1.2 C1COCC1O PI-42698 [0,0,0,0,0,2|1,0,0]=3 164 B6R1.2 C1CSCC1O PI-48171 [0,0,0,0,0,2|1,1,0]=4 165 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,0,0,0,0,2|1,0,1]=4 166 B6R1.2 CC1=COC=C1 PI-41011 [0,0,0,0,0,2|0,0,2]=4 167 B6R1.2 CC1CCCN1 PI-35484 [0,0,0,0,0,2|1,0,0]=3 168 B6R1.2 CC1CCCN1 PI-35485 [0,0,0,0,0,2|1,0,0]=3 169 B6R1.2 CC1CCCS1 PI-47093 [0,0,0,0,0,2|0,1,0]=3 170 B6R1.2 CC1CCNC1 PI-48326 [0,0,0,0,0,2|1,0,0]=3 171 B6R1.2 CC1CNCC1 PI-36287 [0,0,0,0,0,2|1,0,0]=3 172 B6R1.2 CN1CCCC1 PI-49852 [0,0,0,0,0,2|2,0,0]=4 173 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,0,0,0,0,2|1,0,0]=3 174 B6R1.2 FC1CNCC1 PI-38496 [0,0,0,0,0,2|2,0,0]=4 175 B6R1.2 F[C@@H]1CNCC1 PI-37497 [0,0,0,0,0,2|2,0,0]=4 176 B6R1.2 IC1COCC1 PI-42701 [0,0,0,0,0,2|1,0,0]=3 177 B6R1.2 NC1CCNC1 PI-42734 [0,0,0,0,0,2|2,0,0]=4 178 B6R1.2 NC1COCC1 PI-42705 [0,0,0,0,0,2|1,0,0]=3 179 B6R1.2 O=C1CCOC1 PI-42678 [0,0,0,0,0,2|1,0,1]=4 180 B6R1.2 OC1CC=CC1 PI-38265 [0,0,0,0,0,2|2,0,0]=4 181 B6R1.2 OC1COCC1 PI-20870 [0,0,0,0,0,2|1,0,0]=3 182 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,0,0,0,0,2|1,0,0]=3 183 B6R1.2 O[C@@H]1CNCC1 PI-10127 [0,0,0,0,0,2|2,0,0]=4 184 B6R1.2 O[C@@H]1CNCC1 PI-12902 [0,0,0,0,0,2|2,0,0]=4 185 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,0,0,0,0,2|1,0,0]=3 186 B6R1.2 O[C@H]1CNCC1 PI-10148 [0,0,0,0,0,2|2,0,0]=4