0 B5R0.1 BrCC=C(C)C PI-12725 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 BrCCN(C)C PI-41040 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CC(CCO)N PI-34839 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(CCO)N PI-35494 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(CCO)O PI-15618 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC=CC(=O)C PI-45740 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.1 CCCC(C)N PI-36925 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CCCC(C)O PI-42533 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 CCC[C@@H](O)C PI-42532 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 CCOC(=O)C PI-13192 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 CCO[Si](C)C PI-50089 [0,0,0,0,0,0|1,1,1]=3 11 B5R0.1 CCSC(=O)C PI-48509 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 COCC(O)C PI-12912 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 C[C@@H](CC#N)N PI-48104 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 C[C@H](CCO)N PI-35493 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 C\C=C\C(=O)N PI-50568 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 C\C=C\C(=O)O PI-48966 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 O=C=NC(C)C PI-11403 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 O=S(CSC)C PI-39632 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 OCC[C@H](O)C PI-15617 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 CC(=CBr)C PI-46509 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 CC(C#C)O PI-44141 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 CC(C)CN PI-46903 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.1 CC(C)NC PI-41120 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 CC(CN)O PI-16659 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CC(CO)O PI-16674 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CC(O)C#C PI-43256 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 CCC(C)O PI-15619 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 CNN(C)C PI-40655 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 C[C@@H](CO)N PI-12236 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C[C@@H](N)CO PI-16472 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 C[C@@H](O)CN PI-12234 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 NC[C@@H](N)C PI-39121 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 NNC(C)C PI-37110 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 OC[C@H](O)C PI-16673 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 C=CCCBr PI-20589 [1,0,0,0,0,0|1,0,2]=4 36 B4R0.2 CC#CCBr PI-20598 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.2 CC#CCO PI-15652 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.2 CC=CCO PI-41583 [1,0,0,0,0,0|1,0,0]=2 39 B4R0.2 CCCCCl PI-44613 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.2 CCCNC PI-39187 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.2 CCOC=C PI-12733 [1,0,0,0,0,0|1,0,1]=3 42 B4R0.2 CNCC=C PI-41121 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.2 COCCBr PI-21426 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 ClCCNC PI-41980 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.1 CC(CC=O)SC PI-48524 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.1 CC(CCN)CO PI-48961 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.1 CCC(C)N=C=S PI-22956 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 CCCC(CC)Cl PI-46859 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.1 CCCC(CO)O PI-13556 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.1 CNCC(CO)O PI-34729 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 C[C@@H](CCO)CO PI-48285 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,1,0,0,0,0|1,0,1]=3 55 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,1,0,0,0,0|1,1,0]=3 56 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.2 CC(C)CB(O)O PI-37377 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.2 CC(C)NC(C)C PI-41089 [0,1,0,0,0,0|1,0,1]=3 60 B6R0.2 CC(C)NC(C)C PI-45766 [0,1,0,0,0,0|1,0,1]=3 61 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.2 CC(CC(=O)O)N PI-35438 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.2 CC(CC(=O)O)N PI-35481 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.2 CC(CC(=O)O)N PI-43821 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.2 CC(CC(=O)O)O PI-47070 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.2 CC(CC(C)Br)Br PI-25295 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.2 CN(C)CC(=O)O PI-15416 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.2 CN(C)CC(=S)N PI-12763 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.2 CN(CN(C)C)C PI-39543 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.2 C[SiH](N[SiH](C)C)C PI-45054 [0,1,0,0,0,0|1,2,0]=4 76 B6R0.2 C[Si](C)O[Si](C)C PI-46056 [0,1,0,0,0,0|1,2,0]=4 77 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.3 BrCC(=O)C(C)C PI-34836 [0,1,0,0,0,0|1,0,1]=3 79 B6R0.3 CC(C(=O)OC)Cl PI-13042 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.3 CC(C(=O)OC)N PI-31127 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.3 CC=C(C)C(=O)O PI-40492 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.3 CCC(=O)C(C)C PI-39171 [0,1,0,0,0,0|0,0,1]=2 84 B6R0.3 CCC(C(C)Br)Br PI-25651 [0,1,0,0,0,0|1,0,2]=4 85 B6R0.3 CN(C)C(=O)CBr PI-40959 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 CN(C)C(=S)NN PI-47069 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.3 COC(=O)C(N)C PI-10065 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.3 COC(=O)[C@@H](C)O PI-15307 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.3 COC(=O)[C@H](N)C PI-18185 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.3 NCC(=O)N(C)C PI-34626 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 OC[C@H](C(C)C)N PI-16477 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.3 OC[C@H](N)C(C)C PI-14330 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.4 BrC\C=C\C(=O)O PI-36796 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.4 CC=CCC(=O)O PI-47130 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.4 CCC#CC(C)O PI-10903 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.4 CCCCC(C)O PI-42555 [0,1,0,0,0,0|1,0,2]=4 97 B6R0.4 CCCC[C@@H](C)O PI-49839 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.4 CN(C)CCCCl PI-50389 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.4 CN(C)CCCO PI-31996 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.4 CNCCN(C)C PI-39257 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.4 ClCCCN(C)C PI-34098 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.4 O=C\C=C/N(C)C PI-12739 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.5 Br\C=C\[Si](C)(C)C PI-36765 [0,1,0,0,0,0|1,1,0]=3 104 B6R0.5 C(=CBr)C(F)(F)F PI-15611 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.5 C=CC[Si](C)(C)C PI-35320 [0,1,0,0,0,0|0,1,2]=4 106 B6R0.5 CC#C[Si](C)(C)C PI-35327 [0,1,0,0,0,0|0,1,2]=4 107 B6R0.5 CC(C)(C)N=C=S PI-22958 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.5 CC(C)(CSC)N PI-50645 [0,1,0,0,0,0|1,0,1]=3 109 B6R0.5 CCC[Si](Cl)(C)C PI-45076 [0,1,0,0,0,0|0,1,2]=4 110 B6R0.5 CCOC(C)(C)C PI-39331 [0,1,0,0,0,0|1,0,1]=3 111 B6R0.5 CCO[Si](C)(C)C PI-45123 [0,1,0,0,0,0|1,1,1]=4 112 B6R0.5 C[Si](C)(C)C=CI PI-44154 [0,1,0,0,0,0|1,1,0]=3 113 B6R0.5 C[Si](C)(C)OC=C PI-45112 [0,1,0,0,0,0|1,1,1]=4 114 B6R0.5 O=CCC(C)(C)C PI-36862 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.5 OCCC(C)(C)C PI-38249 [0,1,0,0,0,0|1,0,2]=4 116 B6R0.5 [NH-]=[N+]=C[Si](C)(C)C PI-35714 [0,1,0,0,0,0|2,1,0]=4 117 B6R1.2 C1C=CCC1N PI-35476 [0,0,0,1,0,0|1,0,2]=4 118 B6R1.2 C1CNCC1F PI-37496 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 C1CNCC1N PI-12334 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.2 C1CNCC1N PI-15467 [0,0,0,1,0,0|2,0,1]=4 121 B6R1.2 C1CNCC1N PI-15468 [0,0,0,1,0,0|2,0,1]=4 122 B6R1.2 C1CNCC1N PI-16581 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.2 C1CNCC1N PI-16582 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.2 C1CNCC1O PI-10126 [0,0,0,1,0,0|2,0,1]=4 125 B6R1.2 C1CNCC1O PI-42733 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.2 C1COCC1Cl PI-42699 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.2 C1COCC1N PI-42643 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.2 C1COCC1N PI-44061 [0,0,0,1,0,0|2,0,1]=4 129 B6R1.2 C1COCC1O PI-42698 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 C1CSCC1O PI-48171 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,0,0,1,0,0|2,0,1]=4 132 B6R1.2 CC1=CC=CS1 PI-11146 [0,0,0,1,0,0|1,0,2]=4 133 B6R1.2 CC1=COC=C1 PI-41011 [0,0,0,1,0,0|1,0,2]=4 134 B6R1.2 CC1CCCN1 PI-35484 [0,0,0,1,0,0|1,0,1]=3 135 B6R1.2 CC1CCCN1 PI-35485 [0,0,0,1,0,0|1,0,1]=3 136 B6R1.2 CC1CCCS1 PI-47093 [0,0,0,1,0,0|1,0,1]=3 137 B6R1.2 CC1CCNC1 PI-48326 [0,0,0,1,0,0|1,0,1]=3 138 B6R1.2 CC1CNCC1 PI-36287 [0,0,0,1,0,0|1,0,1]=3 139 B6R1.2 CN1CCCC1 PI-49852 [0,0,0,1,0,0|1,0,2]=4 140 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,0,0,1,0,0|1,0,1]=3 141 B6R1.2 Cc1cc[nH]n1 PI-31344 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.2 Cn1cccn1 PI-37584 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.2 Cn1cncc1 PI-31809 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.2 FC1CNCC1 PI-38496 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.2 F[C@@H]1CNCC1 PI-37497 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.2 IC1COCC1 PI-42701 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.2 NC1CCNC1 PI-42734 [0,0,0,1,0,0|2,0,1]=4 148 B6R1.2 NC1COCC1 PI-42705 [0,0,0,1,0,0|2,0,1]=4 149 B6R1.2 OC1CC=CC1 PI-38265 [0,0,0,1,0,0|1,0,2]=4 150 B6R1.2 OC1COCC1 PI-20870 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.2 O[C@@H]1CNCC1 PI-10127 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.2 O[C@@H]1CNCC1 PI-12902 [0,0,0,1,0,0|2,0,1]=4 154 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,0,0,1,0,0|2,0,1]=4 155 B6R1.2 O[C@H]1CNCC1 PI-10148 [0,0,0,1,0,0|2,0,1]=4 156 B6R1.3 C1CC1CCI PI-48331 [0,0,0,1,0,0|1,0,2]=4 157 B6R1.3 COCC1CO1 PI-24540 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.3 COCC1CO1 PI-24541 [0,0,0,1,0,0|2,0,1]=4 159 B6R1.3 N#CCC1CC1 PI-13560 [0,0,0,1,0,0|1,0,2]=4 160 B6R1.3 OCCC1CC1 PI-17339 [0,0,0,1,0,0|1,0,2]=4 161 B6R1.5 C1C(CC1=O)N PI-48953 [0,0,0,1,0,0|2,0,1]=4 162 B6R1.5 OC1CN(C1)C PI-37502 [0,0,0,1,0,0|2,0,1]=4 163 B6R1.11 C[C@@H](C1CC1)N PI-48052 [0,0,0,1,0,0|1,0,2]=4 164 B3R0.1 C(=CBr)Br PI-47053 [2,0,0,0,0,0|2,0,0]=4 165 B3R0.1 C(=CCl)F PI-20089 [2,0,0,0,0,0|2,0,0]=4 166 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|1,0,0]=3 167 B3R0.1 CCCN PI-46904 [2,0,0,0,0,0|1,0,1]=4 168 B3R0.1 CCCN PI-46913 [2,0,0,0,0,0|1,0,1]=4 169 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|1,0,0]=3 170 B3R0.1 COCBr PI-22152 [2,0,0,0,0,0|2,0,0]=4 171 B3R0.1 CONC PI-16632 [2,0,0,0,0,0|2,0,0]=4 172 B3R0.1 C\C=N\O PI-37002 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.1 [CH2-]CCC PI-37346 [2,0,0,0,0,0|0,0,2]=4 174 B3R0.2 CC(C)[O-] PI-47044 [2,0,0,0,0,0|1,0,0]=3 175 B3R0.2 C[S+](C)C PI-41785 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.3 C(C(C=O)O)O PI-14881 [1,1,0,0,0,0|2,0,0]=4 177 B5R0.3 C=CC(C=C)O PI-44995 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.3 C=C[C@H](CO)N PI-48191 [1,1,0,0,0,0|1,0,0]=3 179 B5R0.3 CCC(CO)N PI-45910 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.3 N[C@H](CO)C=C PI-36414 [1,1,0,0,0,0|1,0,0]=3 181 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.4 C=CC(Br)(F)F PI-14417 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.4 C=C[Si](C)(C)C PI-35331 [1,1,0,0,0,0|0,1,0]=3 184 B5R0.4 CC(C)(C#N)N PI-12615 [1,1,0,0,0,0|1,0,1]=4 185 B5R0.4 CC(C)(C)C#C PI-12884 [1,1,0,0,0,0|0,0,2]=4 186 B5R0.4 CC(C)(C)CN PI-21979 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.4 CC(C)(C)N=O PI-30849 [1,1,0,0,0,0|2,0,0]=4 188 B5R0.4 CC(C)(CO)N PI-50412 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.4 CC([N+]#[C-])(C)C PI-22951 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.4 CCC(C)(C)[O-] PI-38669 [1,1,0,0,0,0|0,0,1]=3 191 B5R0.4 CO[Si](C)(C)C PI-45089 [1,1,0,0,0,0|1,1,0]=4 192 B5R0.4 C[Si](C)(C=C)Cl PI-45014 [1,1,0,0,0,0|0,1,0]=3 193 B5R0.4 N#CC(C)(C)C PI-37332 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.4 NCC(C)(C)C PI-14589 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.4 NCC(O)(C)C PI-37508 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.4 NOC(C)(C)C PI-38732 [1,1,0,0,0,0|2,0,0]=4 197 B5R0.5 CC(=C)C(=O)C PI-41913 [1,1,0,0,0,0|0,0,2]=4 198 B5R0.5 CC(C(=O)C)Br PI-35002 [1,1,0,0,0,0|1,0,0]=3 199 B5R0.5 CC(C(=O)C)S PI-48502 [1,1,0,0,0,0|1,0,0]=3 200 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [1,1,0,0,0,0|2,0,0]=4 203 B5R0.5 CC(C(=O)N)C PI-28643 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.5 CC(C(=O)N)N PI-16292 [1,1,0,0,0,0|2,0,0]=4 205 B5R0.5 CC(C(=O)N)N PI-42205 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.5 CC(C(=O)O)Br PI-47030 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.5 CC(C(=O)O)Cl PI-28351 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.5 CC(C(=O)O)F PI-40363 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.5 CC(C(=O)[O-])O PI-14769 [1,1,0,0,0,0|2,0,0]=4 210 B5R0.5 CC(C(C)S)O PI-13701 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.5 CC(C(C)S)O PI-48503 [1,1,0,0,0,0|1,0,1]=4 212 B5R0.5 CC(C(C)S)S PI-48471 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.5 CN(C)C(=O)N PI-50675 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.5 C[C@H](C(=N)N)O PI-48998 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.5 C[C@H](C(=O)O)O PI-36770 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.5 C[N+](=C(Cl)Cl)C PI-30496 [1,1,0,0,0,0|2,0,0]=4 218 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [1,1,0,0,0,0|2,0,0]=4 219 B5R0.2 BrCCCC=C PI-39146 [1,1,0,0,0,0|0,0,2]=4 220 B5R0.2 BrCCSCC PI-21417 [1,1,0,0,0,0|1,0,1]=4 221 B5R0.2 C(C=CCCl)Cl PI-40200 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.2 C=COCCO PI-12735 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.2 CCCSSC PI-48493 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.2 CCNCCN PI-13215 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.2 CCO\C=C\C PI-12734 [1,1,0,0,0,0|0,0,0]=2 226 B5R0.2 CCSCCN PI-22120 [1,1,0,0,0,0|1,0,1]=4 227 B5R0.2 CCSSCC PI-45874 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.2 CNCCNC PI-39066 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.2 CNCCSC PI-35879 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.2 COCCC=O PI-45882 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.2 COCCCCl PI-38032 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.2 COCCCO PI-10094 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.2 CSCCC=O PI-45744 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.2 OCCCC=C PI-13243 [1,1,0,0,0,0|0,0,2]=4 235 B5R0.2 OC\C=C\CO PI-40910 [1,1,0,0,0,0|1,0,0]=3 236 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,2,0,0,0,0|0,0,1]=3 237 B7R0.2 CC(=CC(=O)OC)N PI-13659 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.2 CC(C)CC(CO)N PI-35868 [0,2,0,0,0,0|0,0,2]=4 239 B7R0.2 CC(C)NC(=O)NN PI-50450 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,2,0,0,0,0|1,0,0]=3 241 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.2 COC(=O)CC(C)N PI-42155 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.2 NC(C)CC(C)CC PI-36995 [0,2,0,0,0,0|0,0,2]=4 250 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [0,2,0,0,0,0|0,0,2]=4 252 B7R0.3 COC(=O)\C=C\CBr PI-10946 [0,2,0,0,0,0|1,0,1]=4 253 B7R0.3 CO\C=C\C(=O)OC PI-37579 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.5 CCOC(=O)C(C)Br PI-44612 [0,2,0,0,0,0|1,0,1]=4 255 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [0,2,0,0,0,0|1,0,1]=4 256 B7R0.5 CCOC(=O)C(C)F PI-12305 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,2,0,0,0,0|1,0,1]=4 259 B7R0.10 CC(C(=O)NN)OC PI-50407 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.10 CC(CBr)C(=O)OC PI-44215 [0,2,0,0,0,0|1,0,0]=3 261 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,2,0,0,0,0|1,0,1]=4 263 B7R0.10 CCC(C(C)CO)S PI-48470 [0,2,0,0,0,0|0,0,2]=4 264 B7R0.10 CCC(N)C(OC)=O PI-42163 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.10 COC(=O)C(CCl)N PI-28403 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.10 COC(=O)C(CCl)N PI-39772 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.10 COC(=O)C(CCl)N PI-41755 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.10 COC(=O)C(CO)N PI-11634 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.10 COC(=O)C(CO)O PI-42716 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.10 COC(=O)C(CS)N PI-15751 [0,2,0,0,0,0|2,0,0]=4 273 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.11 CC(C)(CC=C)C=O PI-34825 [0,2,0,0,0,0|0,0,2]=4 277 B7R0.12 CCCC(CO)CO PI-44018 [0,2,0,0,0,0|0,0,2]=4 278 B7R0.9 CC(=C)O[Si](C)(C)C PI-38837 [0,2,0,0,0,0|1,1,0]=4 279 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [0,2,0,0,0,0|0,0,1]=3 280 B7R0.9 CC(=O)N[Si](C)(C)C PI-35306 [0,2,0,0,0,0|1,1,0]=4 281 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.9 CC(=O)O[Si](C)(C)C PI-35315 [0,2,0,0,0,0|1,1,0]=4 283 B7R0.9 CC(C)(Br)CC(O)=O PI-46614 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.9 CC(C)(C)OC(=O)N PI-43374 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.9 CC(C)(CC(=O)[O-])O PI-26114 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.9 CC(C)(CN(C)C)N PI-49000 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.9 CC(C)O[Si](C)(C)C PI-45124 [0,2,0,0,0,0|1,1,0]=4 288 B7R0.9 ClC(=O)CC(C)(C)C PI-11617 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.9 NC(=S)NC(C)(C)C PI-23057 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.9 OC(=O)CC(C)(C)C PI-11616 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,2,0,0,0,0|1,0,0]=3 292 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,2,0,0,0,0|1,0,0]=3 293 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,2,0,0,0,0|1,0,1]=4 294 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.16 CN(C)C(=S)N(C)C PI-15785 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.16 CN(C)C(=[N+](C)C)Cl PI-43907 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.16 CN(C)C(=[N+](C)C)F PI-43542 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,2,0,0,0,0|1,0,1]=4 302 B7R0.13 CC(S(=O)(CC)=O)C PI-41041 [0,2,0,0,0,0|1,0,1]=4 303 B7R0.14 CC(C)(C(=O)NN)O PI-50406 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.14 CC(C)(C(=O)OC)Br PI-12722 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.14 CC(C)(C(=O)OC)N PI-26154 [0,2,0,0,0,0|1,0,0]=3 306 B7R0.14 CC(C)(C)C(=O)CCl PI-44144 [0,2,0,0,0,0|1,0,1]=4 307 B7R0.14 CC(C)(C)C(=O)CN PI-15868 [0,2,0,0,0,0|1,0,1]=4 308 B7R0.14 CC(C)(C)C(=O)NN PI-50291 [0,2,0,0,0,0|2,0,0]=4 309 B7R0.14 COC(=O)C(O)(C)C PI-13169 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.6 CC(C)CCC(C)N PI-49380 [0,2,0,0,0,0|0,0,2]=4 312 B7R0.6 CC(C)CCC(C)O PI-30803 [0,2,0,0,0,0|0,0,2]=4 313 B7R0.6 CC(C)SSC(C)C PI-48489 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.6 CN(C)C=C[N+](=O)[O-] PI-21936 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.8 C(C=CC(F)(F)F)O PI-48075 [0,2,0,0,0,0|2,0,0]=4 316 B7R0.8 C[Si](C)(C)C=CCO PI-35176 [0,2,0,0,0,0|0,1,0]=3 317 B7R0.8 NCCSC(C)(C)C PI-23048 [0,2,0,0,0,0|1,0,1]=4 318 B5R1.2 BrC1CCC1 PI-37245 [1,0,0,1,0,0|1,0,1]=4 319 B5R1.2 NC1CCC1 PI-15786 [1,0,0,1,0,0|1,0,1]=4 320 B5R1.3 BrCC1CC1 PI-12057 [1,0,0,1,0,0|1,0,1]=4 321 B5R1.3 C#CC1CC1 PI-12107 [1,0,0,1,0,0|0,0,2]=4 322 B5R1.3 C1CC1CN PI-17835 [1,0,0,1,0,0|1,0,1]=4 323 B5R1.3 C1CC1NN PI-45737 [1,0,0,1,0,0|2,0,0]=4 324 B5R1.3 N#CC1CC1 PI-31230 [1,0,0,1,0,0|1,0,1]=4 325 B5R1.3 NCC1CC1 PI-12825 [1,0,0,1,0,0|1,0,1]=4 326 B5R1.3 NNC1CC1 PI-38386 [1,0,0,1,0,0|2,0,0]=4 327 B5R1.3 O=CC1CC1 PI-39221 [1,0,0,1,0,0|1,0,0]=3 328 B5R1.1 C1C=CCN1 PI-36315 [1,0,0,1,0,0|1,0,0]=3 329 B5R1.1 C1C=CCN1 PI-40188 [1,0,0,1,0,0|1,0,0]=3 330 B5R1.1 C1COC=C1 PI-45414 [1,0,0,1,0,0|1,0,0]=3 331 B7R1.1 C1CC(NC1)CN PI-35678 [0,1,0,1,0,0|1,0,1]=4 332 B7R1.1 C1CC(OC1)CBr PI-30089 [0,1,0,1,0,0|1,0,1]=4 333 B7R1.1 C1CCC(C1)CO PI-44131 [0,1,0,1,0,0|0,0,2]=4 334 B7R1.1 C1CNCC1CO PI-40189 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.1 C1CNCC1CO PI-40190 [0,1,0,1,0,0|1,0,1]=4 336 B7R1.1 C1COCC1CBr PI-42703 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.1 C1COCC1CCl PI-42702 [0,1,0,1,0,0|1,0,1]=4 338 B7R1.1 C1COCC1CO PI-41224 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.1 ICC1COCC1 PI-42704 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.1 OCC1CC=CC1 PI-35499 [0,1,0,1,0,0|0,0,2]=4 341 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.1 OC[C@H]1CCCN1 PI-16475 [0,1,0,1,0,0|1,0,1]=4 343 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,1,0,1,0,0|1,0,1]=4 344 B7R1.2 CC1=CC(=NO1)C PI-11253 [0,1,0,1,0,0|1,0,1]=4 345 B7R1.2 CC1=CC=C(O1)C PI-44542 [0,1,0,1,0,0|1,0,1]=4 346 B7R1.2 CC1=CC=C(S1)C PI-11158 [0,1,0,1,0,0|1,0,1]=4 347 B7R1.2 CC1=CN=C(S1)C PI-11134 [0,1,0,1,0,0|1,0,1]=4 348 B7R1.2 CC1=CSC(=N1)C PI-11115 [0,1,0,1,0,0|1,0,1]=4 349 B7R1.2 CC1CCC(C1)O PI-44641 [0,1,0,1,0,0|0,0,2]=4 350 B7R1.2 CC1COC(=O)N1 PI-35869 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,1,0,1,0,0|1,0,0]=3 352 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,1,0,1,0,0|2,0,0]=4 354 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [0,1,0,1,0,0|0,0,2]=4 356 B7R1.2 Cc1[nH]cc(n1)C PI-31821 [0,1,0,1,0,0|1,0,1]=4 357 B7R1.2 Cc1[nH]nc(C)c1 PI-31342 [0,1,0,1,0,0|1,0,1]=4 358 B7R1.2 Cc1ccn(n1)C PI-37587 [0,1,0,1,0,0|1,0,1]=4 359 B7R1.2 Cc1scc(c1)C PI-29816 [0,1,0,1,0,0|0,0,2]=4 360 B7R1.2 Cn1cc[n+](c1)C PI-38784 [0,1,0,1,0,0|1,0,1]=4 361 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.3 CC1=CCCCC1 PI-42686 [0,1,0,1,0,0|0,0,2]=4 363 B7R1.3 CC1=CCOCC1 PI-42722 [0,1,0,1,0,0|0,0,2]=4 364 B7R1.3 CC1CCOCO1 PI-47110 [0,1,0,1,0,0|1,0,1]=4 365 B7R1.3 CC1CNCCN1 PI-31297 [0,1,0,1,0,0|1,0,1]=4 366 B7R1.3 CC1CNCCN1 PI-33175 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.3 CC1CNCCO1 PI-34764 [0,1,0,1,0,0|1,0,1]=4 368 B7R1.3 CC1SCCCS1 PI-25717 [0,1,0,1,0,0|1,0,1]=4 369 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [0,1,0,1,0,0|1,0,1]=4 370 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,1,0,1,0,0|0,0,2]=4 371 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,1,0,1,0,0|1,0,1]=4 372 B7R1.3 C[C@H]1COCCN1 PI-38135 [0,1,0,1,0,0|1,0,1]=4 373 B7R1.4 BrC1CCOC1=O PI-37275 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.4 C1CNC(=O)C1N PI-48181 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.4 C1COC(=O)C1N PI-45116 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.4 CC1=NC=CN1C PI-31811 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.4 CC1C(CCO1)S PI-14229 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.4 Cn1nccc1C PI-37575 [0,1,0,1,0,0|1,0,1]=4 382 B7R1.4 O=C1NCCC1C PI-27005 [0,1,0,1,0,0|1,0,0]=3 383 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,1,0,1,0,0|2,0,0]=4 385 B7R1.10 O=C1CC(OC)C1 PI-46660 [0,1,0,1,0,0|1,0,1]=4 386 B7R1.22 C1CC1C(=O)NN PI-17834 [0,1,0,1,0,0|2,0,0]=4 387 B7R1.22 COC(=O)C1CC1 PI-32774 [0,1,0,1,0,0|1,0,0]=3 388 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.25 CC1(COC1)CO PI-24315 [0,1,0,1,0,0|1,0,1]=4 390 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,1,0,1,0,0|1,0,1]=4 391 B7R1.14 CC1(NCCS1)C PI-11721 [0,1,0,1,0,0|1,0,1]=4 392 B7R1.14 CC1(O)CCCC1 PI-36469 [0,1,0,1,0,0|0,0,2]=4 393 B7R1.26 CC(C)(C1CC1)O PI-17152 [0,1,0,1,0,0|0,0,2]=4