0 B5R0.3 C(C(=O)NN)O PI-50333 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C(C(=O)NN)S PI-50542 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C(C(C=O)O)O PI-14881 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 C(C(CBr)O)Br PI-47056 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 C(C(CCl)O)F PI-20093 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 C(C(CCl)O)O PI-16668 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 C(C(CO)N)O PI-16192 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 C(C(CO)O)N PI-10528 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.3 C([C@@H](CCl)O)N PI-48662 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 C=C[C@H](CO)N PI-48191 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 CCC(=C)C=O PI-44654 [0,0,0,0,0,0|1,0,3]=4 11 B5R0.3 CCC(=O)CBr PI-20588 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 CCC(=O)NN PI-50290 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 CCC(CO)N PI-45910 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.3 CNC(=O)CCl PI-39443 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 CNC(=S)NN PI-30834 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 ClCC(=C)CCl PI-41237 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.3 NCC(O)CO PI-12972 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.3 NC[C@H](O)CO PI-28266 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.3 N[C@H](CO)C=C PI-36414 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 O=C[C@@H](O)CO PI-14882 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.3 OCC(=C)CO PI-24347 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.3 OCC(CO)N PI-10243 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.3 OCC(O)CO PI-12961 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.3 OC[C@H](O)CCl PI-16667 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 C(C(=N)N)N PI-44870 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 C(C(=O)N)I PI-47045 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 C(C(=O)N)N PI-14271 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C(C(F)F)N PI-48941 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 CC(=C)CBr PI-46510 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 CC(=CBr)C PI-46509 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CC(=O)CBr PI-38994 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 CC(C#C)O PI-44141 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 CC(C)CN PI-46903 [1,0,0,0,0,0|0,0,0]=1 34 B4R0.1 CC(C)NC PI-41120 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 CC(CN)O PI-16659 [1,0,0,0,0,0|1,0,0]=2 36 B4R0.1 CC(CO)O PI-16674 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 CC(O)C#C PI-43256 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 CCB(O)O PI-25578 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 CCC(=N)N PI-35437 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 CCC(C)O PI-15619 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.1 CN=C(N)N PI-12937 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CNN(C)C PI-40655 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 COC(=N)N PI-30686 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 C[C@@H](CO)N PI-12236 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 C[C@@H](N)CO PI-16472 [1,0,0,0,0,0|1,0,0]=2 46 B4R0.1 C[C@@H](O)CN PI-12234 [1,0,0,0,0,0|1,0,0]=2 47 B4R0.1 NC(=N)CCl PI-30038 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 NC(=O)CBr PI-10963 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 NC[C@@H](N)C PI-39121 [1,0,0,0,0,0|1,0,0]=2 50 B4R0.1 NNC(C)C PI-37110 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.1 OCC(F)F PI-21165 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 OC[C@H](O)C PI-16673 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.2 C#CCCCl PI-38919 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.2 C#CCCN PI-40906 [1,0,0,0,0,0|0,0,2]=3 55 B4R0.2 C#CCCO PI-16501 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.2 C(CF)CF PI-21236 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.2 C(CF)CI PI-41494 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.2 C(CN)CN PI-19035 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.2 C(CN)CN PI-46906 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.2 C(CN)CS PI-39174 [1,0,0,0,0,0|1,0,0]=2 61 B4R0.2 C(CO)CBr PI-15814 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.2 C(CO)CI PI-50488 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.2 C(CS)CS PI-11004 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.2 C=CCCBr PI-20589 [1,0,0,0,0,0|1,0,2]=4 65 B4R0.2 C=CCON PI-47075 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.2 CC#CCBr PI-20598 [1,0,0,0,0,0|1,0,2]=4 67 B4R0.2 CC#CCO PI-15652 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.2 CC=CCO PI-41583 [1,0,0,0,0,0|1,0,2]=4 69 B4R0.2 CCCCCl PI-44613 [1,0,0,0,0,0|1,0,0]=2 70 B4R0.2 CCCNC PI-39187 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.2 CCOC=C PI-12733 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 CNCC#N PI-14282 [1,0,0,0,0,0|1,0,2]=4 73 B4R0.2 CNCC=C PI-41121 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 COCCBr PI-21426 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.2 ClCCNC PI-41980 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.2 NCCC#C PI-36764 [1,0,0,0,0,0|0,0,2]=3 77 B4R0.2 OCCCS PI-39546 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.1 C(C#N)C(CCl)O PI-16669 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.1 C(CBr)C(CO)O PI-40398 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.1 C(CO)C(CO)O PI-28525 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.1 C(CO)C(CO)O PI-28767 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.1 C(CO)C(CO)O PI-44643 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.1 C(CS)C(=O)NN PI-50543 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.1 CC(CC=O)SC PI-48524 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.1 CC(CCN)CO PI-48961 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.1 CCC(C)N=C=S PI-22956 [0,1,0,0,0,0|1,0,1]=3 87 B6R0.1 CCCC(=O)NN PI-23070 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.1 CCCC(C=C)O PI-15324 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.1 CCCC(CC)Cl PI-46859 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.1 CCCC(CO)O PI-13556 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.1 CCOC(=O)CBr PI-15815 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.1 CNCC(=O)OC PI-45586 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.1 CNCC(CO)O PI-34729 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.1 COC(=O)CCN PI-31148 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.1 COCC(=O)NN PI-50354 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.1 C[C@@H](CCO)CO PI-48285 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.1 NNC(OCC)=O PI-28515 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.1 O[C@H](CCl)CC#N PI-10363 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.3 BrCC(=O)C(C)C PI-34836 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 C(C(C(=O)O)N)N PI-31828 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 C(C(C(=O)O)N)N PI-35715 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.3 C(C(C(=O)O)N)N PI-35737 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.3 C(C(C(=O)O)O)N PI-12867 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.3 CC(C(=O)O)NC PI-27549 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 CC(C(=O)O)NC PI-27557 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.3 CC(C(=O)OC)N PI-31127 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.3 CC(CI)C(=C)I PI-44163 [0,1,0,0,0,0|1,0,2]=4 110 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 CCC(=O)C(C)C PI-39171 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 CCC(C(=O)C)S PI-48501 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 CCC(C(=O)N)N PI-10559 [0,1,0,0,0,0|1,0,1]=3 114 B6R0.3 CCC(C(=O)O)N PI-28320 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 CCC(C(=O)O)N PI-43844 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.3 CCC(C(C)Br)Br PI-25651 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,1,0,0,0,0|1,0,1]=3 120 B6R0.3 CN(C(=O)Cl)CC PI-38703 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.3 COC(=O)C(N)C PI-10065 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.3 COC(=O)[C@H](N)C PI-18185 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.3 NC(C(=O)O)CN PI-10165 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.3 NC(C(=O)O)CN PI-35820 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.3 NCC(=O)N(C)C PI-34626 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.3 NCC(C(=O)O)O PI-38395 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.3 O=C(O)C(C)CN PI-42145 [0,1,0,0,0,0|1,0,1]=3 128 B6R0.3 OC[C@H](C(C)C)N PI-16477 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.3 OC[C@H](N)C(C)C PI-14330 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.3 OC[C@H]([C@H](O)C)N PI-35711 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.3 [O-][N+](=O)C(CO)C PI-42624 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.8 C(C(CN)(F)F)N PI-49264 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.8 CC(N)(CC)C#C PI-36167 [0,1,0,0,0,0|1,0,1]=3 135 B6R0.8 CCS(=O)(=O)CC PI-30756 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.9 B(CC)(CC)CC PI-50005 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.9 CCC(CC)CBr PI-47059 [0,1,0,0,0,0|1,0,0]=2 138 B6R0.9 CCN(CC)N=O PI-47046 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.9 COC(C=C)OC PI-42093 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.9 OCC(CC)CO PI-41977 [0,1,0,0,0,0|1,0,0]=2 141 B6R0.9 OCC(CO)CO PI-37259 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.9 OCC(OC)CO PI-46661 [0,1,0,0,0,0|2,0,0]=3 143 B6R1.2 C1C=CCC1N PI-35476 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.2 C1CNCC1F PI-37496 [0,0,0,1,0,0|1,0,0]=2 145 B6R1.2 C1CNCC1N PI-12334 [0,0,0,1,0,0|1,0,0]=2 146 B6R1.2 C1CNCC1N PI-15467 [0,0,0,1,0,0|1,0,0]=2 147 B6R1.2 C1CNCC1N PI-15468 [0,0,0,1,0,0|1,0,0]=2 148 B6R1.2 C1CNCC1N PI-16581 [0,0,0,1,0,0|1,0,0]=2 149 B6R1.2 C1CNCC1N PI-16582 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.2 C1CNCC1O PI-10126 [0,0,0,1,0,0|1,0,0]=2 151 B6R1.2 C1CNCC1O PI-42733 [0,0,0,1,0,0|1,0,0]=2 152 B6R1.2 C1COCC1Cl PI-42699 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.2 C1COCC1N PI-42643 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.2 C1COCC1N PI-44061 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.2 C1COCC1O PI-42698 [0,0,0,1,0,0|2,0,0]=3 156 B6R1.2 C1CSCC1=O PI-11167 [0,0,0,1,0,0|2,0,1]=4 157 B6R1.2 C1CSCC1O PI-48171 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.2 CC1CCCN1 PI-35484 [0,0,0,1,0,0|2,0,0]=3 159 B6R1.2 CC1CCCN1 PI-35485 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.2 CC1CCCS1 PI-47093 [0,0,0,1,0,0|2,0,0]=3 161 B6R1.2 CC1CCNC1 PI-48326 [0,0,0,1,0,0|0,0,0]=1 162 B6R1.2 CC1CNCC1 PI-36287 [0,0,0,1,0,0|0,0,0]=1 163 B6R1.2 CN1CCCC1 PI-49852 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,0,0,1,0,0|0,0,0]=1 165 B6R1.2 FC1CNCC1 PI-38496 [0,0,0,1,0,0|1,0,0]=2 166 B6R1.2 F[C@@H]1CNCC1 PI-37497 [0,0,0,1,0,0|1,0,0]=2 167 B6R1.2 IC1COCC1 PI-42701 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.2 NC1CCNC1 PI-42734 [0,0,0,1,0,0|1,0,0]=2 169 B6R1.2 NC1COCC1 PI-42705 [0,0,0,1,0,0|2,0,0]=3 170 B6R1.2 NN1CCCC1 PI-14899 [0,0,0,1,0,0|3,0,0]=4 171 B6R1.2 O=C1CCOC1 PI-42678 [0,0,0,1,0,0|2,0,1]=4 172 B6R1.2 O=C1NCNC1 PI-35001 [0,0,0,1,0,0|2,0,1]=4 173 B6R1.2 OC1CC=CC1 PI-38265 [0,0,0,1,0,0|2,0,1]=4 174 B6R1.2 OC1COCC1 PI-20870 [0,0,0,1,0,0|2,0,0]=3 175 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,0,0,1,0,0|2,0,0]=3 176 B6R1.2 O[C@@H]1CNCC1 PI-10127 [0,0,0,1,0,0|1,0,0]=2 177 B6R1.2 O[C@@H]1CNCC1 PI-12902 [0,0,0,1,0,0|1,0,0]=2 178 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.2 O[C@H]1CNCC1 PI-10148 [0,0,0,1,0,0|1,0,0]=2 180 B6R1.6 BrCC1CCC1 PI-28204 [0,0,0,1,0,0|1,0,0]=2 181 B6R1.6 C1C(CO1)C=O PI-48343 [0,0,0,1,0,0|2,0,1]=4 182 B6R1.6 C1C(CO1)CO PI-48337 [0,0,0,1,0,0|2,0,0]=3 183 B6R1.6 C1CC(C1)CO PI-28530 [0,0,0,1,0,0|1,0,0]=2 184 B6R1.6 COC1CNC1 PI-36805 [0,0,0,1,0,0|1,0,0]=2 185 B6R1.6 COC1CNC1 PI-48292 [0,0,0,1,0,0|1,0,0]=2 186 B6R1.6 N#CC1CNC1 PI-36275 [0,0,0,1,0,0|1,0,1]=3 187 B6R1.6 NCC1CCC1 PI-42247 [0,0,0,1,0,0|0,0,0]=1 188 B6R1.6 O=CC1CCC1 PI-36863 [0,0,0,1,0,0|1,0,1]=3 189 B6R1.6 OCC1COC1 PI-38455 [0,0,0,1,0,0|2,0,0]=3 190 B6R1.7 C1CC1(C#N)Br PI-42963 [0,0,0,1,0,0|1,0,2]=4 191 B6R1.7 C1CC1(C#N)N PI-35838 [0,0,0,1,0,0|1,0,2]=4 192 B6R1.7 C1CC1(CO)N PI-36053 [0,0,0,1,0,0|2,0,0]=3 193 B6R1.7 CC1(CO1)C=C PI-48078 [0,0,0,1,0,0|1,0,2]=4 194 B6R1.7 NCC1(O)CC1 PI-36049 [0,0,0,1,0,0|1,0,0]=2 195 B6R1.7 SCC1(C)CC1 PI-37767 [0,0,0,1,0,0|1,0,0]=2 196 B3R0.1 C(CBr)Cl PI-44621 [2,0,0,0,0,0|2,0,0]=4 197 B3R0.1 C(CF)F PI-21164 [2,0,0,0,0,0|2,0,0]=4 198 B3R0.1 C(CS)N PI-39848 [2,0,0,0,0,0|1,0,0]=3 199 B3R0.1 C(F)CN PI-41615 [2,0,0,0,0,0|1,0,0]=3 200 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|1,0,1]=4 201 B3R0.1 CCCN PI-46904 [2,0,0,0,0,0|0,0,0]=2 202 B3R0.1 CCCN PI-46913 [2,0,0,0,0,0|0,0,0]=2 203 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|1,0,0]=3 204 B3R0.1 COCBr PI-22152 [2,0,0,0,0,0|2,0,0]=4 205 B3R0.1 CONC PI-16632 [2,0,0,0,0,0|2,0,0]=4 206 B3R0.1 NCC#C PI-38458 [2,0,0,0,0,0|0,0,2]=4 207 B3R0.1 NCC#N PI-38793 [2,0,0,0,0,0|1,0,1]=4 208 B3R0.1 NCCN PI-38127 [2,0,0,0,0,0|1,0,0]=3 209 B3R0.1 NCCN PI-38389 [2,0,0,0,0,0|1,0,0]=3 210 B3R0.1 OCCBr PI-37291 [2,0,0,0,0,0|2,0,0]=4 211 B3R0.1 [CH2-]CCC PI-37346 [2,0,0,0,0,0|0,0,1]=3 212 B3R0.2 CC(=S)N PI-16528 [2,0,0,0,0,0|1,0,1]=4 213 B3R0.2 CC(C)[O-] PI-47044 [2,0,0,0,0,0|1,0,0]=3 214 B3R0.2 C[S+](C)C PI-41785 [2,0,0,0,0,0|1,0,0]=3 215 B5R0.1 BrCC=C(C)C PI-12725 [1,1,0,0,0,0|0,0,2]=4 216 B5R0.1 BrCCN(C)C PI-41040 [1,1,0,0,0,0|1,0,0]=3 217 B5R0.1 CC(=C)CCBr PI-40493 [1,1,0,0,0,0|0,0,2]=4 218 B5R0.1 CC(CCO)N PI-34839 [1,1,0,0,0,0|0,0,0]=2 219 B5R0.1 CC(CCO)N PI-35494 [1,1,0,0,0,0|0,0,0]=2 220 B5R0.1 CC(CCO)O PI-15618 [1,1,0,0,0,0|1,0,0]=3 221 B5R0.1 CCCC(=O)N PI-32787 [1,1,0,0,0,0|1,0,1]=4 222 B5R0.1 CCCC(C)N PI-36925 [1,1,0,0,0,0|0,0,0]=2 223 B5R0.1 CCCC(C)O PI-42533 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.1 CCC[C@@H](O)C PI-42532 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.1 CCOC(=O)C PI-13192 [1,1,0,0,0,0|1,0,1]=4 226 B5R0.1 CCO[Si](C)C PI-50089 [1,1,0,0,0,0|0,1,0]=3 227 B5R0.1 CCSC(=O)C PI-48509 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.1 COCC(O)C PI-12912 [1,1,0,0,0,0|1,0,0]=3 229 B5R0.1 CSCC(=O)N PI-36555 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.1 C[C@@H](CC#N)N PI-48104 [1,1,0,0,0,0|0,0,1]=3 231 B5R0.1 C[C@H](CCO)N PI-35493 [1,1,0,0,0,0|0,0,0]=2 232 B5R0.1 NC(CCC)=N PI-37197 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.1 O=C=NC(C)C PI-11403 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.1 O=S(CSC)C PI-39632 [1,1,0,0,0,0|2,0,0]=4 235 B5R0.1 OCC[C@H](O)C PI-15617 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.4 C(C(F)(F)F)N PI-40173 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.4 CC(C)(C#N)N PI-12615 [1,1,0,0,0,0|0,0,2]=4 238 B5R0.4 CC(C)(C)C#C PI-12884 [1,1,0,0,0,0|0,0,2]=4 239 B5R0.4 CC(C)(C)CN PI-21979 [1,1,0,0,0,0|0,0,0]=2 240 B5R0.4 CC(C)(C)N=O PI-30849 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.4 CC(C)(CO)N PI-50412 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.4 CC(CCl)(F)Cl PI-21038 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.4 CC([N+]#[C-])(C)C PI-22951 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.4 CCC(C)(C)[O-] PI-38669 [1,1,0,0,0,0|0,0,0]=2 245 B5R0.4 CO[Si](C)(C)C PI-45089 [1,1,0,0,0,0|1,1,0]=4 246 B5R0.4 C[N+](C)(C)CI PI-29556 [1,1,0,0,0,0|2,0,0]=4 247 B5R0.4 C[Si](C)(C)CBr PI-35301 [1,1,0,0,0,0|1,1,0]=4 248 B5R0.4 C[Si](C)(C)CI PI-35317 [1,1,0,0,0,0|1,1,0]=4 249 B5R0.4 C[Si](C)(C)CN PI-35316 [1,1,0,0,0,0|0,1,0]=3 250 B5R0.4 C[Si](C)(C)CO PI-35298 [1,1,0,0,0,0|1,1,0]=4 251 B5R0.4 C[Si](C)(CCl)Cl PI-24149 [1,1,0,0,0,0|1,1,0]=4 252 B5R0.4 ClC[Si](C)(C)C PI-12821 [1,1,0,0,0,0|1,1,0]=4 253 B5R0.4 FC(F)(F)CN PI-40174 [1,1,0,0,0,0|2,0,0]=4 254 B5R0.4 N#CC(C)(C)C PI-37332 [1,1,0,0,0,0|0,0,2]=4 255 B5R0.4 NCC(C)(C)C PI-14589 [1,1,0,0,0,0|0,0,0]=2 256 B5R0.4 NCC(O)(C)C PI-37508 [1,1,0,0,0,0|0,0,0]=2 257 B5R0.4 NOC(C)(C)C PI-38732 [1,1,0,0,0,0|1,0,0]=3 258 B5R0.4 OCC(F)(F)C PI-39537 [1,1,0,0,0,0|2,0,0]=4 259 B5R0.5 CC(C(=O)C)Br PI-35002 [1,1,0,0,0,0|1,0,1]=4 260 B5R0.5 CC(C(=O)C)S PI-48502 [1,1,0,0,0,0|1,0,1]=4 261 B5R0.5 CC(C(=O)N)C PI-28643 [1,1,0,0,0,0|0,0,1]=3 262 B5R0.5 CC(C(=O)N)N PI-16292 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.5 CC(C(=O)N)N PI-42205 [1,1,0,0,0,0|1,0,1]=4 264 B5R0.5 CC(C(C)S)O PI-13701 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.5 CC(C(C)S)O PI-48503 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.5 CC(C(C)S)S PI-48471 [1,1,0,0,0,0|1,0,0]=3 267 B5R0.5 CN(C)C(=O)N PI-50675 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.5 C[C@H](C(=N)N)O PI-48998 [1,1,0,0,0,0|1,0,1]=4 270 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [1,1,0,0,0,0|1,0,1]=4 271 B5R0.2 BrCCCC=C PI-39146 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.2 BrCCSCC PI-21417 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.2 C(CC#N)CBr PI-41208 [1,1,0,0,0,0|0,0,2]=4 274 B5R0.2 C(CCBr)CCl PI-15812 [1,1,0,0,0,0|1,0,0]=3 275 B5R0.2 C(CCBr)CN PI-46910 [1,1,0,0,0,0|0,0,0]=2 276 B5R0.2 C(CCCl)CO PI-15813 [1,1,0,0,0,0|1,0,0]=3 277 B5R0.2 C(CCS)CS PI-11005 [1,1,0,0,0,0|1,0,0]=3 278 B5R0.2 C(CNN)C#N PI-50323 [1,1,0,0,0,0|1,0,1]=4 279 B5R0.2 CCCSSC PI-48493 [1,1,0,0,0,0|2,0,0]=4 280 B5R0.2 CCNCCN PI-13215 [1,1,0,0,0,0|0,0,0]=2 281 B5R0.2 CCSCCN PI-22120 [1,1,0,0,0,0|0,0,0]=2 282 B5R0.2 CCSSCC PI-45874 [1,1,0,0,0,0|2,0,0]=4 283 B5R0.2 CNCCNC PI-39066 [1,1,0,0,0,0|1,0,0]=3 284 B5R0.2 CNCCSC PI-35879 [1,1,0,0,0,0|1,0,0]=3 285 B5R0.2 COCCC=O PI-45882 [1,1,0,0,0,0|1,0,1]=4 286 B5R0.2 COCCCCl PI-38032 [1,1,0,0,0,0|1,0,0]=3 287 B5R0.2 COCCCO PI-10094 [1,1,0,0,0,0|1,0,0]=3 288 B5R0.2 CSCCC=O PI-45744 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.2 ClCCCC#C PI-20198 [1,1,0,0,0,0|1,0,1]=4 290 B5R0.2 ClCCCC#N PI-38313 [1,1,0,0,0,0|0,0,2]=4 291 B5R0.2 FCCCCBr PI-14440 [1,1,0,0,0,0|1,0,0]=3 292 B5R0.2 NCCCCO PI-38298 [1,1,0,0,0,0|0,0,0]=2 293 B5R0.2 OCCCC#C PI-13238 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.2 OCCCC=C PI-13243 [1,1,0,0,0,0|1,0,1]=4 295 B5R0.2 OCCCCBr PI-12762 [1,1,0,0,0,0|1,0,0]=3 296 B7R0.2 CC(C)CC(CO)N PI-35868 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,2,0,0,0,0|0,0,1]=3 298 B7R0.2 NC(C)CC(C)CC PI-36995 [0,2,0,0,0,0|0,0,0]=2 299 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,2,0,0,0,0|1,0,1]=4 302 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,2,0,0,0,0|1,0,1]=4 304 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,2,0,0,0,0|1,0,1]=4 305 B7R0.7 CC(CCBr)CCBr PI-25581 [0,2,0,0,0,0|1,0,0]=3 306 B7R0.7 CCCC(CCC)N PI-15988 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.7 CCCC(S)CCO PI-37281 [0,2,0,0,0,0|2,0,0]=4 308 B7R0.7 CN(CCN)CCN PI-47120 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.7 CNCC(=O)OCC PI-30682 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.7 COCC(N)COC PI-36402 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.7 CSCC(CNN)O PI-45806 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.7 NCCC(=O)OCC PI-33213 [0,2,0,0,0,0|1,0,1]=4 313 B7R0.10 CC(C(=O)NN)OC PI-50407 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.10 CC(CBr)C(=O)OC PI-44215 [0,2,0,0,0,0|1,0,1]=4 315 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,2,0,0,0,0|1,0,1]=4 316 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,2,0,0,0,0|2,0,0]=4 317 B7R0.10 CCC(C(C)CO)S PI-48470 [0,2,0,0,0,0|1,0,0]=3 318 B7R0.10 CC[C@@H]([C@@H](CO)N)C PI-36847 [0,2,0,0,0,0|0,0,0]=2 319 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [0,2,0,0,0,0|1,0,1]=4 320 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,2,0,0,0,0|1,0,1]=4 321 B7R0.10 SC[C@H]([C@@H](CS)O)O PI-27013 [0,2,0,0,0,0|2,0,0]=4 322 B7R0.12 CCCC(CO)CO PI-44018 [0,2,0,0,0,0|1,0,0]=3 323 B7R0.13 BrCC(C(Br)C)(Br)Br PI-30474 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.13 CCC(C)(C(=O)O)N PI-26543 [0,2,0,0,0,0|1,0,1]=4 325 B7R0.13 CCC(C)(C(=O)O)N PI-26663 [0,2,0,0,0,0|1,0,1]=4 326 B7R0.13 CCC(C)(C(=O)O)N PI-26777 [0,2,0,0,0,0|1,0,1]=4 327 B7R0.13 CCC(C)(C(=O)O)N PI-26778 [0,2,0,0,0,0|1,0,1]=4 328 B7R0.13 CCC(C)(C(=O)O)O PI-27533 [0,2,0,0,0,0|1,0,1]=4 329 B7R0.13 CCC(C)(C)C(=O)Cl PI-25709 [0,2,0,0,0,0|1,0,1]=4 330 B7R0.13 CCC(C)(C)C(=O)O PI-13120 [0,2,0,0,0,0|1,0,1]=4 331 B7R0.14 CC(C)(C)C(=O)CN PI-15868 [0,2,0,0,0,0|1,0,1]=4 332 B7R0.14 CC(C)(C)C(CO)N PI-47156 [0,2,0,0,0,0|2,0,0]=4 333 B7R0.14 CC(C)(C)[C@@H](CCl)O PI-49828 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.14 CC(C)(C)[C@H](CCl)O PI-49827 [0,2,0,0,0,0|2,0,0]=4 335 B7R0.14 CCC(C)S(=O)(=O)Cl PI-23027 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.15 CCC(CC)C(=O)[O-] PI-26914 [0,2,0,0,0,0|1,0,1]=4 337 B7R0.15 COC(OC)C(C)Br PI-39528 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,2,0,0,0,0|1,0,1]=4 339 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,2,0,0,0,0|1,0,1]=4 340 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,2,0,0,0,0|1,0,1]=4 341 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,2,0,0,0,0|1,0,1]=4 342 B7R0.18 CCC(CO)(CO)N PI-34179 [0,2,0,0,0,0|1,0,0]=3 343 B7R0.18 CC[Si](CC)(CC)Cl PI-35309 [0,2,0,0,0,0|1,1,0]=4 344 B7R0.18 OCC(CO)(CO)N PI-27069 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.18 OCC(N)(CO)CO PI-34173 [0,2,0,0,0,0|2,0,0]=4 346 B5R1.2 BrC1CCC1 PI-37245 [1,0,0,1,0,0|1,0,0]=3 347 B5R1.2 C1C(=O)CN1 PI-48919 [1,0,0,1,0,0|1,0,1]=4 348 B5R1.2 FC1CNC1 PI-36097 [1,0,0,1,0,0|1,0,0]=3 349 B5R1.2 NC1CCC1 PI-15786 [1,0,0,1,0,0|0,0,0]=2 350 B5R1.2 NC1COC1 PI-41949 [1,0,0,1,0,0|1,0,0]=3 351 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,1,0,0|1,0,1]=4 352 B5R1.2 OC1CNC1 PI-20728 [1,0,0,1,0,0|1,0,0]=3 353 B5R1.2 OC1COC1 PI-38454 [1,0,0,1,0,0|2,0,0]=4 354 B5R1.3 BrCC1CC1 PI-12057 [1,0,0,1,0,0|1,0,0]=3 355 B5R1.3 C#CC1CC1 PI-12107 [1,0,0,1,0,0|0,0,2]=4 356 B5R1.3 C1C(O1)CO PI-10360 [1,0,0,1,0,0|2,0,0]=4 357 B5R1.3 C1CC1CN PI-17835 [1,0,0,1,0,0|0,0,0]=2 358 B5R1.3 C1CC1NN PI-45737 [1,0,0,1,0,0|1,0,0]=3 359 B5R1.3 ClCC1OC1 PI-37744 [1,0,0,1,0,0|2,0,0]=4 360 B5R1.3 ClC[C@@H]1CO1 PI-16630 [1,0,0,1,0,0|2,0,0]=4 361 B5R1.3 ClC[C@H]1CO1 PI-16629 [1,0,0,1,0,0|2,0,0]=4 362 B5R1.3 FCC1CO1 PI-22023 [1,0,0,1,0,0|2,0,0]=4 363 B5R1.3 N#CC1CC1 PI-31230 [1,0,0,1,0,0|0,0,2]=4 364 B5R1.3 NCC1CC1 PI-12825 [1,0,0,1,0,0|0,0,0]=2 365 B5R1.3 NNC1CC1 PI-38386 [1,0,0,1,0,0|1,0,0]=3 366 B5R1.3 O=CC1CC1 PI-39221 [1,0,0,1,0,0|1,0,1]=4 367 B5R1.3 OC[C@H]1CO1 PI-10359 [1,0,0,1,0,0|2,0,0]=4 368 B5R1.4 C1[C@H]([C@@H]1N)N PI-49016 [1,0,0,1,0,0|1,0,0]=3 369 B5R1.1 C1C=CCN1 PI-36315 [1,0,0,1,0,0|0,0,2]=4 370 B5R1.1 C1C=CCN1 PI-40188 [1,0,0,1,0,0|0,0,2]=4 371 B7R1.1 C1CC(NC1)CN PI-35678 [0,1,0,1,0,0|0,0,0]=2 372 B7R1.1 C1CC(OC1)CBr PI-30089 [0,1,0,1,0,0|1,0,0]=3 373 B7R1.1 C1CCC(C1)CO PI-44131 [0,1,0,1,0,0|1,0,0]=3 374 B7R1.1 C1CCC(C1)ON PI-47243 [0,1,0,1,0,0|1,0,0]=3 375 B7R1.1 C1CNCC1CO PI-40189 [0,1,0,1,0,0|0,0,0]=2 376 B7R1.1 C1CNCC1CO PI-40190 [0,1,0,1,0,0|0,0,0]=2 377 B7R1.1 C1COCC1CBr PI-42703 [0,1,0,1,0,0|1,0,0]=3 378 B7R1.1 C1COCC1CCl PI-42702 [0,1,0,1,0,0|1,0,0]=3 379 B7R1.1 C1COCC1CO PI-41224 [0,1,0,1,0,0|1,0,0]=3 380 B7R1.1 C1C[C@H](NC1)C#N PI-48319 [0,1,0,1,0,0|0,0,2]=4 381 B7R1.1 CCN1CCCC1 PI-47092 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.1 ICC1COCC1 PI-42704 [0,1,0,1,0,0|1,0,0]=3 383 B7R1.1 NNC1CCCC1 PI-36366 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.1 NNC1CCCC1 PI-38997 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.1 OCC1CC=CC1 PI-35499 [0,1,0,1,0,0|1,0,1]=4 386 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [0,1,0,1,0,0|1,0,0]=3 387 B7R1.1 OC[C@H]1CCCN1 PI-16475 [0,1,0,1,0,0|1,0,0]=3 388 B7R1.2 C1C(CNC1=O)N PI-35851 [0,1,0,1,0,0|1,0,1]=4 389 B7R1.2 C1CC(CC1N)O PI-44226 [0,1,0,1,0,0|1,0,0]=3 390 B7R1.2 C1CC(CC1O)O PI-43989 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.2 CC1CCC(C1)O PI-44641 [0,1,0,1,0,0|1,0,0]=3 392 B7R1.2 CN1CCC(O)C1 PI-33498 [0,1,0,1,0,0|1,0,0]=3 393 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,1,0,1,0,0|1,0,1]=4 394 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,1,0,1,0,0|1,0,1]=4 395 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,1,0,1,0,0|1,0,1]=4 396 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,1,0,1,0,0|1,0,1]=4 397 B7R1.3 BrC1CCCOC1 PI-35181 [0,1,0,1,0,0|2,0,0]=4 398 B7R1.3 BrC1CCOCC1 PI-35207 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.3 C1CC(CNC1)Br PI-13262 [0,1,0,1,0,0|1,0,0]=3 400 B7R1.3 C1CC(CNC1)F PI-48937 [0,1,0,1,0,0|1,0,0]=3 401 B7R1.3 C1CC(CNC1)N PI-11065 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.3 C1CC(CNC1)N PI-27492 [0,1,0,1,0,0|1,0,0]=3 403 B7R1.3 C1CC(CNC1)O PI-10129 [0,1,0,1,0,0|1,0,0]=3 404 B7R1.3 C1CC(CNC1)O PI-11069 [0,1,0,1,0,0|1,0,0]=3 405 B7R1.3 C1CC(CNC1)O PI-31252 [0,1,0,1,0,0|1,0,0]=3 406 B7R1.3 C1CCNC(C1)Br PI-13261 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,1,0,1,0,0|2,0,0]=4 408 B7R1.3 C1CCNC(C1)O PI-11062 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.3 C1CNCCC1=O PI-43209 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.3 C1CNCCC1Br PI-34736 [0,1,0,1,0,0|1,0,0]=3 411 B7R1.3 C1CNCCC1Cl PI-13260 [0,1,0,1,0,0|1,0,0]=3 412 B7R1.3 C1CNCCC1F PI-48939 [0,1,0,1,0,0|1,0,0]=3 413 B7R1.3 C1CNCCC1N PI-12453 [0,1,0,1,0,0|1,0,0]=3 414 B7R1.3 C1CNCCC1N PI-43332 [0,1,0,1,0,0|1,0,0]=3 415 B7R1.3 C1CNCCC1O PI-43307 [0,1,0,1,0,0|1,0,0]=3 416 B7R1.3 C1COC(CN1)O PI-41771 [0,1,0,1,0,0|1,0,0]=3 417 B7R1.3 C1COCCC1Cl PI-45093 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.3 C1COCCC1I PI-45407 [0,1,0,1,0,0|2,0,0]=4 419 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [0,1,0,1,0,0|1,0,0]=3 420 B7R1.3 C=C1CCNCC1 PI-41106 [0,1,0,1,0,0|0,0,2]=4 421 B7R1.3 CC1=CCCCC1 PI-42686 [0,1,0,1,0,0|1,0,1]=4 422 B7R1.3 CC1=CCOCC1 PI-42722 [0,1,0,1,0,0|1,0,1]=4 423 B7R1.3 CC1CCOCO1 PI-47110 [0,1,0,1,0,0|1,0,0]=3 424 B7R1.3 CC1CNCCN1 PI-31297 [0,1,0,1,0,0|0,0,0]=2 425 B7R1.3 CC1CNCCN1 PI-33175 [0,1,0,1,0,0|0,0,0]=2 426 B7R1.3 CC1CNCCO1 PI-34764 [0,1,0,1,0,0|0,0,0]=2 427 B7R1.3 CC1SCCCS1 PI-25717 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.3 CN1CCNCC1 PI-50345 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [0,1,0,1,0,0|0,0,0]=2 430 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,1,0,1,0,0|1,0,0]=3 431 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,1,0,1,0,0|0,0,0]=2 432 B7R1.3 C[C@H]1COCCN1 PI-38135 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.3 NC1CCCCN1 PI-13252 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.3 NC1CCCNC1 PI-13253 [0,1,0,1,0,0|1,0,0]=3 435 B7R1.3 NC1CCOCC1 PI-14135 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.3 NC1CCOCC1 PI-39008 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [0,1,0,1,0,0|1,0,0]=3 438 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [0,1,0,1,0,0|1,0,0]=3 439 B7R1.3 O1CCCC(C1)O PI-42688 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.3 O=C1CCCNC1 PI-35479 [0,1,0,1,0,0|1,0,1]=4 441 B7R1.3 O=C1CCNCC1 PI-12489 [0,1,0,1,0,0|1,0,1]=4 442 B7R1.3 O=C1CCNCC1 PI-37237 [0,1,0,1,0,0|1,0,1]=4 443 B7R1.3 O=C1NCCNC1 PI-31800 [0,1,0,1,0,0|1,0,1]=4 444 B7R1.3 OC1CCNCC1 PI-31377 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.3 OC1CCOCC1 PI-37145 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.3 O[C@H]1CCCNC1 PI-10130 [0,1,0,1,0,0|1,0,0]=3 447 B7R1.4 C1CNC(=O)C1N PI-48181 [0,1,0,1,0,0|1,0,1]=4 448 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,1,0,1,0,0|1,0,1]=4 449 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,1,0,1,0,0|1,0,1]=4 450 B7R1.4 C1COC(=O)C1N PI-45116 [0,1,0,1,0,0|1,0,1]=4 451 B7R1.4 C1COC(C1Cl)Cl PI-13234 [0,1,0,1,0,0|2,0,0]=4 452 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,1,0,1,0,0|1,0,1]=4 453 B7R1.4 CC1C(CCO1)S PI-14229 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.4 O=C1NCCC1C PI-27005 [0,1,0,1,0,0|0,0,1]=3 455 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,1,0,1,0,0|1,0,1]=4 456 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [0,1,0,1,0,0|1,0,0]=3 457 B7R1.4 O[C@@H]1CCC[C@H]1O PI-39444 [0,1,0,1,0,0|2,0,0]=4 458 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [0,1,0,1,0,0|1,0,0]=3 459 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.6 NCCC1COC1 PI-36429 [0,1,0,1,0,0|1,0,0]=3 462 B7R1.6 OCCC1COC1 PI-36428 [0,1,0,1,0,0|1,0,0]=3 463 B7R1.10 CN1CC(C1)C#N PI-44060 [0,1,0,1,0,0|0,0,2]=4 464 B7R1.10 O=C1CC(OC)C1 PI-46660 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.25 CC1(CNC1)C#N PI-48198 [0,1,0,1,0,0|0,0,2]=4 466 B7R1.25 CC1(COC1)CO PI-24315 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.25 NCC1(O)CCC1 PI-36089 [0,1,0,1,0,0|0,0,0]=2 468 B7R1.18 C1C(CN1)C(=O)O PI-49248 [0,1,0,1,0,0|1,0,1]=4 469 B7R1.18 C1CC(C1)C(=O)O PI-16540 [0,1,0,1,0,0|1,0,1]=4 470 B7R1.18 CN(C)C1CNC1 PI-48736 [0,1,0,1,0,0|1,0,0]=3 471 B7R1.18 ClC(=O)C1CCC1 PI-13205 [0,1,0,1,0,0|1,0,1]=4 472 B7R1.18 OC(=O)C1CNC1 PI-14151 [0,1,0,1,0,0|1,0,1]=4 473 B7R1.19 OC(=O)C1(C)CC1 PI-17167 [0,1,0,1,0,0|1,0,1]=4 474 B7R1.23 BrCC1CC1(F)F PI-22149 [0,1,0,1,0,0|2,0,0]=4 475 B7R1.14 C1CCC(C1)(F)F PI-21161 [0,1,0,1,0,0|2,0,0]=4 476 B7R1.14 CC1(O)CCCC1 PI-36469 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.14 C[Si]1(CCCC1)C PI-45650 [0,1,0,1,0,0|1,1,0]=4 478 B7R1.14 FC1(F)CNCC1 PI-21240 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.29 C1CC1(CO)CO PI-13563 [0,1,0,1,0,0|1,0,0]=3 480 B7R2.13 C1CC2C(C1)O2 PI-35919 [0,0,0,2,0,0|2,0,0]=4 481 B7R2.13 O1CC2C(C1)O2 PI-22024 [0,0,0,2,0,0|2,0,0]=4