0 B5R0.5 C(C(Br)Br)(Br)Br PI-45723 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.5 CC(=C)C(=O)C PI-41913 [0,0,0,0,0,0|1,1,2]=4 2 B5R0.5 CC(C(=O)C)Br PI-35002 [0,0,0,0,0,0|1,1,1]=3 3 B5R0.5 CC(C(=O)C)S PI-48502 [0,0,0,0,0,0|0,1,1]=2 4 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [0,0,0,0,0,0|2,1,1]=4 7 B5R0.5 CC(C(=O)N)C PI-28643 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.5 CC(C(=O)N)N PI-16292 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.5 CC(C(=O)N)N PI-42205 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.5 CC(C(=O)O)Br PI-47030 [0,0,0,0,0,0|2,1,1]=4 11 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,0,0,0,0,0|2,1,1]=4 12 B5R0.5 CC(C(=O)O)F PI-40363 [0,0,0,0,0,0|2,1,1]=4 13 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,0,0,0,0,0|1,2,1]=4 14 B5R0.5 CC(C(C)S)O PI-13701 [0,0,0,0,0,0|0,1,0]=1 15 B5R0.5 CC(C(C)S)O PI-48503 [0,0,0,0,0,0|0,1,0]=1 16 B5R0.5 CC(C(C)S)S PI-48471 [0,0,0,0,0,0|0,0,0]=0 17 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,0,0,0,0,0|2,1,1]=4 18 B5R0.5 C[C@H](C(=N)N)O PI-48998 [0,0,0,0,0,0|2,1,1]=4 19 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,0,0,0,0,0|1,2,1]=4 20 B5R0.5 FC(C(Cl)F)Cl PI-21026 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,0,0,0,0,0|2,1,1]=4 22 B4R0.1 C(C(F)F)N PI-48941 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 CC(=C)CBr PI-46510 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CC(=O)CBr PI-38994 [1,0,0,0,0,0|1,1,1]=4 25 B4R0.1 CC(C#C)O PI-44141 [1,0,0,0,0,0|0,1,2]=4 26 B4R0.1 CC(C)CN PI-46903 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(C)NC PI-41120 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 CC(CN)O PI-16659 [1,0,0,0,0,0|1,1,0]=3 29 B4R0.1 CC(CO)O PI-16674 [1,0,0,0,0,0|0,2,0]=3 30 B4R0.1 CC(O)C#C PI-43256 [1,0,0,0,0,0|0,1,2]=4 31 B4R0.1 CCB(O)O PI-25578 [1,0,0,0,0,0|2,1,0]=4 32 B4R0.1 CCC(=N)N PI-35437 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 CCC(C)O PI-15619 [1,0,0,0,0,0|0,1,0]=2 34 B4R0.1 CNN(C)C PI-40655 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 C[C@@H](CO)N PI-12236 [1,0,0,0,0,0|1,1,0]=3 36 B4R0.1 C[C@@H](N)CO PI-16472 [1,0,0,0,0,0|1,1,0]=3 37 B4R0.1 C[C@@H](O)CN PI-12234 [1,0,0,0,0,0|1,1,0]=3 38 B4R0.1 NC[C@@H](N)C PI-39121 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 NNC(C)C PI-37110 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 OCC(F)F PI-21165 [1,0,0,0,0,0|2,1,0]=4 41 B4R0.1 OC[C@H](O)C PI-16673 [1,0,0,0,0,0|0,2,0]=3 42 B6R0.3 BrCC(=O)C(C)C PI-34836 [0,1,0,0,0,0|1,1,1]=4 43 B6R0.3 CC(C(=O)OC)Cl PI-13042 [0,1,0,0,0,0|1,1,1]=4 44 B6R0.3 CC(C(=O)OC)N PI-31127 [0,1,0,0,0,0|1,1,1]=4 45 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,1,0,0,0,0|1,1,1]=4 46 B6R0.3 CCC(=O)C(C)C PI-39171 [0,1,0,0,0,0|1,1,1]=4 47 B6R0.3 CCC(C(=O)C)S PI-48501 [0,1,0,0,0,0|0,1,1]=3 48 B6R0.3 CCC(C(C)Br)Br PI-25651 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.3 COC(=O)C(N)C PI-10065 [0,1,0,0,0,0|1,1,1]=4 50 B6R0.3 COC(=O)[C@@H](C)O PI-15307 [0,1,0,0,0,0|0,2,1]=4 51 B6R0.3 COC(=O)[C@H](N)C PI-18185 [0,1,0,0,0,0|1,1,1]=4 52 B6R0.3 OC[C@H](C(C)C)N PI-16477 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.3 OC[C@H](N)C(C)C PI-14330 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.3 OC[C@H]([C@H](O)C)N PI-35711 [0,1,0,0,0,0|1,1,0]=3 55 B6R0.7 CC(C(F)(F)F)N PI-40169 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.7 CC(C(F)(F)F)N PI-40170 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.7 CC(C(F)(F)F)O PI-40168 [0,1,0,0,0,0|2,1,0]=4 58 B6R0.7 C[C@@H](C(C)(C)C)O PI-49836 [0,1,0,0,0,0|1,1,0]=3 59 B6R0.7 C[C@@H](C(F)(F)F)N PI-48928 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.7 C[SiH](C(C)(C)C)C PI-38471 [0,1,0,0,0,0|2,1,0]=4 61 B6R1.11 CC(=O)C1CC1 PI-12875 [0,0,0,1,0,0|1,1,1]=4 62 B6R1.11 C[C@@H](C1CC1)N PI-48052 [0,0,0,1,0,0|2,0,0]=3 63 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,0,0,0,0,1|1,1,1]=4 64 B6R0.2 CC(C)NC(C)C PI-41089 [0,0,0,0,0,1|2,0,0]=3 65 B6R0.2 CC(C)NC(C)C PI-45766 [0,0,0,0,0,1|2,0,0]=3 66 B6R0.2 CC(CC(C)Br)Br PI-25295 [0,0,0,0,0,1|2,0,0]=3 67 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,0,0,0,0,1|1,1,1]=4 68 B3R0.1 C(CBr)Cl PI-44621 [2,0,0,0,0,0|2,0,0]=4 69 B3R0.1 C(CF)F PI-21164 [2,0,0,0,0,0|2,0,0]=4 70 B3R0.1 C(CS)N PI-39848 [2,0,0,0,0,0|1,0,0]=3 71 B3R0.1 C(F)CN PI-41615 [2,0,0,0,0,0|2,0,0]=4 72 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|0,1,1]=4 73 B3R0.1 CCCN PI-46904 [2,0,0,0,0,0|1,0,0]=3 74 B3R0.1 CCCN PI-46913 [2,0,0,0,0,0|1,0,0]=3 75 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|1,0,0]=3 76 B3R0.1 COCBr PI-22152 [2,0,0,0,0,0|2,0,0]=4 77 B3R0.1 CONC PI-16632 [2,0,0,0,0,0|2,0,0]=4 78 B3R0.1 NCCN PI-38127 [2,0,0,0,0,0|2,0,0]=4 79 B3R0.1 NCCN PI-38389 [2,0,0,0,0,0|2,0,0]=4 80 B3R0.1 OCCBr PI-37291 [2,0,0,0,0,0|1,1,0]=4 81 B3R0.1 [CH2-]CCC PI-37346 [2,0,0,0,0,0|0,0,1]=3 82 B3R0.2 CC(C)[O-] PI-47044 [2,0,0,0,0,0|0,1,0]=3 83 B3R0.2 C[S+](C)C PI-41785 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.1 BrCCN(C)C PI-41040 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.1 CC(=C)CCBr PI-40493 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.1 CC(CCO)N PI-34839 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.1 CC(CCO)N PI-35494 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.1 CC(CCO)O PI-15618 [1,1,0,0,0,0|0,1,0]=3 89 B5R0.1 CCCC(C)N PI-36925 [1,1,0,0,0,0|1,0,0]=3 90 B5R0.1 CCCC(C)O PI-42533 [1,1,0,0,0,0|0,1,0]=3 91 B5R0.1 CCC[C@@H](O)C PI-42532 [1,1,0,0,0,0|0,1,0]=3 92 B5R0.1 CCOC(=O)C PI-13192 [1,1,0,0,0,0|0,1,1]=4 93 B5R0.1 CCO[Si](C)C PI-50089 [1,1,0,0,0,0|1,1,0]=4 94 B5R0.1 CCSC(=O)C PI-48509 [1,1,0,0,0,0|0,1,1]=4 95 B5R0.1 COCC(O)C PI-12912 [1,1,0,0,0,0|0,1,0]=3 96 B5R0.1 C[C@@H](CC#N)N PI-48104 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.1 C[C@H](CCO)N PI-35493 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.1 O=S(CSC)C PI-39632 [1,1,0,0,0,0|1,1,0]=4 99 B5R0.1 OCC[C@H](O)C PI-15617 [1,1,0,0,0,0|0,1,0]=3 100 B5R0.3 C(C(CBr)O)Br PI-47056 [1,1,0,0,0,0|1,1,0]=4 101 B5R0.3 C(C(CCl)O)F PI-20093 [1,1,0,0,0,0|1,1,0]=4 102 B5R0.3 C(C(CCl)O)O PI-16668 [1,1,0,0,0,0|0,2,0]=4 103 B5R0.3 C(C(CO)N)O PI-16192 [1,1,0,0,0,0|1,1,0]=4 104 B5R0.3 C(C(CO)O)N PI-10528 [1,1,0,0,0,0|0,2,0]=4 105 B5R0.3 C([C@@H](CCl)O)N PI-48662 [1,1,0,0,0,0|1,1,0]=4 106 B5R0.3 CCC(=O)CBr PI-20588 [1,1,0,0,0,0|0,1,1]=4 107 B5R0.3 CCC(CO)N PI-45910 [1,1,0,0,0,0|1,0,0]=3 108 B5R0.3 NCC(O)CO PI-12972 [1,1,0,0,0,0|0,2,0]=4 109 B5R0.3 NC[C@H](O)CO PI-28266 [1,1,0,0,0,0|0,2,0]=4 110 B5R0.3 OCC(CO)N PI-10243 [1,1,0,0,0,0|1,1,0]=4 111 B5R0.3 OCC(O)CO PI-12961 [1,1,0,0,0,0|0,2,0]=4 112 B5R0.3 OC[C@H](O)CCl PI-16667 [1,1,0,0,0,0|0,2,0]=4 113 B5R0.4 CC(C)(C)CN PI-21979 [1,1,0,0,0,0|2,0,0]=4 114 B5R0.4 CC(C)(CO)N PI-50412 [1,1,0,0,0,0|1,1,0]=4 115 B5R0.4 CC(CCl)(F)Cl PI-21038 [1,1,0,0,0,0|2,0,0]=4 116 B5R0.4 CCC(C)(C)[O-] PI-38669 [1,1,0,0,0,0|0,1,0]=3 117 B5R0.4 NCC(C)(C)C PI-14589 [1,1,0,0,0,0|2,0,0]=4 118 B5R0.4 NCC(O)(C)C PI-37508 [1,1,0,0,0,0|1,1,0]=4 119 B5R0.4 OCC(F)(F)C PI-39537 [1,1,0,0,0,0|1,1,0]=4 120 B7R0.2 CC(C)CC(CO)N PI-35868 [0,1,0,0,0,1|2,0,0]=4 121 B7R0.2 NC(C)CC(C)CC PI-36995 [0,1,0,0,0,1|2,0,0]=4 122 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [0,1,0,0,0,1|2,0,0]=4 123 B7R0.10 CCC(C(C)CO)S PI-48470 [0,2,0,0,0,0|0,1,0]=3 124 B7R0.10 CC[C@@H]([C@@H](CO)N)C PI-36847 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.10 SC[C@H]([C@@H](CS)O)O PI-27013 [0,2,0,0,0,0|0,2,0]=4 126 B7R0.13 BrCC(C(Br)C)(Br)Br PI-30474 [0,2,0,0,0,0|2,0,0]=4 127 B7R0.14 CC(C)(C)C(CO)N PI-47156 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.14 CC(C)(C)[C@@H](CCl)O PI-49828 [0,2,0,0,0,0|1,1,0]=4 129 B7R0.14 CC(C)(C)[C@H](CCl)O PI-49827 [0,2,0,0,0,0|1,1,0]=4 130 B7R0.15 COC(OC)C(C)Br PI-39528 [0,2,0,0,0,0|1,1,0]=4 131 B7R0.17 CC(C)(C(C)(C)Br)Br PI-47062 [0,2,0,0,0,0|2,0,0]=4 132 B7R0.17 CC(C)(O)C(C)(C)O PI-36027 [0,2,0,0,0,0|0,2,0]=4 133 B5R1.2 BrC1CCC1 PI-37245 [1,0,0,1,0,0|1,0,0]=3 134 B5R1.2 FC1CNC1 PI-36097 [1,0,0,1,0,0|2,0,0]=4 135 B5R1.2 NC1CCC1 PI-15786 [1,0,0,1,0,0|1,0,0]=3 136 B5R1.2 NC1COC1 PI-41949 [1,0,0,1,0,0|1,1,0]=4 137 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,1,0,0|0,1,1]=4 138 B5R1.2 OC1CNC1 PI-20728 [1,0,0,1,0,0|1,1,0]=4 139 B5R1.2 OC1COC1 PI-38454 [1,0,0,1,0,0|0,2,0]=4 140 B5R1.3 BrCC1CC1 PI-12057 [1,0,0,1,0,0|2,0,0]=4 141 B5R1.3 C1C(O1)CO PI-10360 [1,0,0,1,0,0|0,2,0]=4 142 B5R1.3 C1CC1CN PI-17835 [1,0,0,1,0,0|2,0,0]=4 143 B5R1.3 ClCC1OC1 PI-37744 [1,0,0,1,0,0|1,1,0]=4 144 B5R1.3 ClC[C@@H]1CO1 PI-16630 [1,0,0,1,0,0|1,1,0]=4 145 B5R1.3 ClC[C@H]1CO1 PI-16629 [1,0,0,1,0,0|1,1,0]=4 146 B5R1.3 FCC1CO1 PI-22023 [1,0,0,1,0,0|1,1,0]=4 147 B5R1.3 NCC1CC1 PI-12825 [1,0,0,1,0,0|2,0,0]=4 148 B5R1.3 OC[C@H]1CO1 PI-10359 [1,0,0,1,0,0|0,2,0]=4 149 B5R1.4 C1[C@H]([C@@H]1N)N PI-49016 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.2 C1CC(CC1N)O PI-44226 [0,0,0,1,0,1|1,1,0]=4 151 B7R1.2 C1CC(CC1O)O PI-43989 [0,0,0,1,0,1|0,2,0]=4 152 B7R1.2 CC1CCC(C1)O PI-44641 [0,0,0,1,0,1|1,1,0]=4 153 B7R1.4 C1COC(C1Cl)Cl PI-13234 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.4 CC1C(CCO1)S PI-14229 [0,1,0,1,0,0|0,1,0]=3 155 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [0,1,0,1,0,0|1,1,0]=4 156 B7R1.4 O[C@@H]1CCC[C@H]1O PI-39444 [0,1,0,1,0,0|0,2,0]=4 157 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [0,1,0,1,0,0|1,1,0]=4 158 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [0,1,0,1,0,0|1,1,0]=4 159 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [0,1,0,1,0,0|1,1,0]=4 160 B7R1.26 CC(C)(C1CC1)O PI-17152 [0,1,0,1,0,0|1,1,0]=4 161 B7R2.1 C1C(O1)C2CO2 PI-13815 [0,0,0,2,0,0|0,2,0]=4 162 B7R0.6 CC(C)CCC(C)N PI-49380 [0,0,0,0,0,2|2,0,0]=4 163 B7R0.6 CC(C)CCC(C)O PI-30803 [0,0,0,0,0,2|1,1,0]=4 164 B7R0.6 CC(C)SSC(C)C PI-48489 [0,0,0,0,0,2|2,0,0]=4 165 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [0,0,0,0,0,2|0,2,0]=4