0 B5R0.3 C(C(=O)NN)O PI-50333 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.3 C(C(=O)NN)S PI-50542 [0,0,0,0,0,0|2,1,0]=3 2 B5R0.3 C(C(C=O)O)O PI-14881 [0,0,0,0,0,0|0,0,4]=4 3 B5R0.3 C(C(CBr)O)Br PI-47056 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 C(C(CCl)O)F PI-20093 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 C(C(CCl)O)O PI-16668 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.3 C(C(CO)N)O PI-16192 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.3 C(C(CO)O)N PI-10528 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.3 C([C@@H](CCl)O)N PI-48662 [0,0,0,0,0,0|2,0,2]=4 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|2,0,2]=4 11 B5R0.3 CCC(=O)CBr PI-20588 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.3 CCC(=O)NN PI-50290 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 CCC(CO)N PI-45910 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.3 CNC(=O)CCl PI-39443 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 COC(=O)C#C PI-35828 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 ClCC(=C)CCl PI-41237 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.3 NCC(O)CO PI-12972 [0,0,0,0,0,0|1,0,2]=3 18 B5R0.3 NC[C@H](O)CO PI-28266 [0,0,0,0,0,0|1,0,2]=3 19 B5R0.3 NNC(=O)NN PI-25605 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.3 N[C@H](CO)C=C PI-36414 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.3 O=C[C@@H](O)CO PI-14882 [0,0,0,0,0,0|0,0,4]=4 22 B5R0.3 OCC(=C)CO PI-24347 [0,0,0,0,0,0|1,0,0]=1 23 B5R0.3 OCC(CO)N PI-10243 [0,0,0,0,0,0|1,0,1]=2 24 B5R0.3 OCC(O)CO PI-12961 [0,0,0,0,0,0|0,0,2]=2 25 B5R0.3 OC[C@H](O)CCl PI-16667 [0,0,0,0,0,0|1,0,2]=3 26 B4R0.1 C#CC(=O)N PI-48352 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 C(=O)(N)NO PI-15345 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 C(C(=N)N)N PI-44870 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 C(C(=O)Cl)Br PI-46514 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 C(C(=O)N)I PI-47045 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 C(C(=O)N)N PI-14271 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 C(C(=O)[O-])Cl PI-44622 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 C=C(CBr)Br PI-10979 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 CC(=C)CBr PI-46510 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(=CBr)C PI-46509 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CC(=O)C#C PI-15653 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 CC(=O)CBr PI-38994 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 CC(=O)NBr PI-47108 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 CC(C)CN PI-46903 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(CN)O PI-16659 [1,0,0,0,0,0|1,0,2]=4 41 B4R0.1 CC(CO)O PI-16674 [1,0,0,0,0,0|0,0,2]=3 42 B4R0.1 CC(O)=NO PI-10772 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 CCB(O)O PI-25578 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CCC(=N)N PI-35437 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 CCC(C)O PI-15619 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.1 C[C@@H](CO)N PI-12236 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 C[C@@H](N)CO PI-16472 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 C[C@@H](O)CN PI-12234 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.1 ClCC(Cl)=C PI-15434 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 NC(=N)CCl PI-30038 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 NC(=O)CBr PI-10963 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 NC[C@@H](N)C PI-39121 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 OCC(F)F PI-21165 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 OC[C@H](O)C PI-16673 [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|2,0,1]=4 57 B4R0.2 C(CF)CI PI-41494 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 C(CN)CN PI-19035 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.2 C(CN)CN PI-46906 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.2 C(CN)CS PI-39174 [1,0,0,0,0,0|1,1,1]=4 61 B4R0.2 C(CO)CBr PI-15814 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.2 C(CO)CI PI-50488 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.2 C(CS)CS PI-11004 [1,0,0,0,0,0|0,2,1]=4 64 B4R0.2 CC#CCO PI-15652 [1,0,0,0,0,0|1,0,2]=4 65 B4R0.2 CC=CCO PI-41583 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.2 CCCCCl PI-44613 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.2 OCCCS PI-39546 [1,0,0,0,0,0|0,1,1]=3 68 B6R0.1 C(C#N)C(=O)NN PI-50233 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,1,0,0,0,0|1,0,0]=2 70 B6R0.1 C(CBr)C(CO)O PI-40398 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.1 C(CO)C(CO)O PI-28525 [0,1,0,0,0,0|0,0,2]=3 72 B6R0.1 C(CO)C(CO)O PI-28767 [0,1,0,0,0,0|0,0,2]=3 73 B6R0.1 C(CO)C(CO)O PI-44643 [0,1,0,0,0,0|0,0,2]=3 74 B6R0.1 C(CS)C(=O)NN PI-50543 [0,1,0,0,0,0|2,1,0]=4 75 B6R0.1 CC(CCN)CO PI-48961 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.1 CCCC(=O)NN PI-23070 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.1 CCCC(=O)SC PI-48512 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.1 CCCC(CO)O PI-13556 [0,1,0,0,0,0|1,0,2]=4 79 B6R0.1 CCOC(=O)C#C PI-35147 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.1 CCOC(=O)CBr PI-15815 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.1 CCOC(=O)NC PI-50343 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.1 CNCC(=O)OC PI-45586 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.1 CNCC(CO)O PI-34729 [0,1,0,0,0,0|1,0,2]=4 84 B6R0.1 COC(=O)CCN PI-31148 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.1 COCC(=N)NO PI-36392 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.1 COCC(=O)NN PI-50354 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.1 C[C@@H](CCO)CO PI-48285 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.1 NNC(OCC)=O PI-28515 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.1 O=C(OC)CCO PI-41038 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.3 BrCC(=O)C(C)C PI-34836 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.3 CC(C(=O)OC)Cl PI-13042 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.3 CC(C(=O)OC)N PI-31127 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.3 CCC(=O)C(C)C PI-39171 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 CN(C)C(=O)CBr PI-40959 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.3 CNC(=O)C(=O)O PI-19400 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.3 COC(=O)C(N)C PI-10065 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.3 COC(=O)[C@@H](C)O PI-15307 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.3 COC(=O)[C@H](N)C PI-18185 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.3 NC(CO)C(O)=O PI-35846 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.3 NCC(=O)N(C)C PI-34626 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.3 OC[C@H](C(C)C)N PI-16477 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 OC[C@H](N)C(C)C PI-14330 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.3 OC[C@H]([C@H](O)C)N PI-35711 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [0,1,0,0,0,0|1,0,2]=4 108 B6R0.8 CCS(=O)(=O)CC PI-30756 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.9 CCN(CC)N=O PI-47046 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.9 OCC(CC)CO PI-41977 [0,1,0,0,0,0|1,0,1]=3 111 B6R0.9 OCC(CO)CO PI-37259 [0,1,0,0,0,0|0,0,2]=3 112 B6R0.9 OCC(OC)CO PI-46661 [0,1,0,0,0,0|0,0,2]=3 113 B6R1.2 C1COCC1Cl PI-42699 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.2 C1COCC1N PI-42643 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.2 C1COCC1N PI-44061 [0,0,0,1,0,0|2,0,1]=4 116 B6R1.2 C1COCC1O PI-42698 [0,0,0,1,0,0|1,0,2]=4 117 B6R1.2 C1CSCC1=O PI-11167 [0,0,0,1,0,0|1,1,0]=3 118 B6R1.2 IC1COCC1 PI-42701 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 NC1COCC1 PI-42705 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.2 O=C1CC=CC1 PI-38266 [0,0,0,1,0,0|2,0,0]=3 121 B6R1.2 O=C1CCOC1 PI-42678 [0,0,0,1,0,0|1,0,0]=2 122 B6R1.2 O=C1NCNC1 PI-35001 [0,0,0,1,0,0|3,0,0]=4 123 B6R1.2 OC1COCC1 PI-20870 [0,0,0,1,0,0|1,0,2]=4 124 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,0,0,1,0,0|1,0,2]=4 125 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,0,0,1,0,0|1,0,2]=4 126 B6R1.6 C1C(CO1)CO PI-48337 [0,0,0,1,0,0|1,0,1]=3 127 B6R1.6 C1CC(C1)CO PI-28530 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.6 OCC1COC1 PI-38455 [0,0,0,1,0,0|1,0,1]=3 129 B6R1.7 C1CC1(CO)N PI-36053 [0,0,0,1,0,0|2,0,1]=4 130 B3R0.1 C(CBr)Cl PI-44621 [2,0,0,0,0,0|2,0,0]=4 131 B3R0.1 C(CF)F PI-21164 [2,0,0,0,0,0|2,0,0]=4 132 B3R0.1 C(CS)N PI-39848 [2,0,0,0,0,0|1,1,0]=4 133 B3R0.1 C(F)CN PI-41615 [2,0,0,0,0,0|2,0,0]=4 134 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|1,0,0]=3 135 B3R0.1 CCCN PI-46904 [2,0,0,0,0,0|1,0,1]=4 136 B3R0.1 CCCN PI-46913 [2,0,0,0,0,0|1,0,1]=4 137 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|2,0,0]=4 138 B3R0.1 COCBr PI-22152 [2,0,0,0,0,0|2,0,0]=4 139 B3R0.1 C\C=N\O PI-37002 [2,0,0,0,0,0|1,0,0]=3 140 B3R0.1 NCCN PI-38127 [2,0,0,0,0,0|2,0,0]=4 141 B3R0.1 NCCN PI-38389 [2,0,0,0,0,0|2,0,0]=4 142 B3R0.1 NNC=O PI-38803 [2,0,0,0,0,0|2,0,0]=4 143 B3R0.1 OCCBr PI-37291 [2,0,0,0,0,0|1,0,0]=3 144 B3R0.1 [CH2-]CCC PI-37346 [2,0,0,0,0,0|1,0,1]=4 145 B3R0.2 CB(O)O PI-24088 [2,0,0,0,0,0|1,0,1]=4 146 B3R0.2 CC(=O)O PI-11632 [2,0,0,0,0,0|0,0,0]=2 147 B3R0.2 CC(=O)O PI-38547 [2,0,0,0,0,0|0,0,0]=2 148 B3R0.2 CC(=O)[O-] PI-20290 [2,0,0,0,0,0|0,0,1]=3 149 B3R0.2 CC(=S)N PI-16528 [2,0,0,0,0,0|1,1,0]=4 150 B3R0.2 CC(C)[O-] PI-47044 [2,0,0,0,0,0|0,0,2]=4 151 B3R0.2 CC([O-])=S PI-36444 [2,0,0,0,0,0|0,1,1]=4 152 B3R0.2 C[S+](C)C PI-41785 [2,0,0,0,0,0|2,0,0]=4 153 B3R0.2 [O-]C(=O)C PI-37083 [2,0,0,0,0,0|0,0,1]=3 154 B3R0.2 [O-]C(=O)C PI-41421 [2,0,0,0,0,0|0,0,1]=3 155 B5R0.1 BrCC=C(C)C PI-12725 [1,1,0,0,0,0|2,0,0]=4 156 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [1,1,0,0,0,0|1,0,1]=4 157 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,1,0,0,0,0|2,0,0]=4 159 B5R0.1 CC#CC(=O)O PI-12861 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.1 CC(=C)CCBr PI-40493 [1,1,0,0,0,0|2,0,0]=4 161 B5R0.1 CC(=O)NCO PI-29791 [1,1,0,0,0,0|0,0,0]=2 162 B5R0.1 CC(CCO)N PI-34839 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.1 CC(CCO)N PI-35494 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.1 CC(CCO)O PI-15618 [1,1,0,0,0,0|0,0,2]=4 165 B5R0.1 CC=CC(=O)C PI-45740 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.1 CCCC(=O)N PI-32787 [1,1,0,0,0,0|2,0,0]=4 167 B5R0.1 CCOC(=O)C PI-13192 [1,1,0,0,0,0|1,0,0]=3 168 B5R0.1 CCSC(=O)C PI-48509 [1,1,0,0,0,0|1,0,0]=3 169 B5R0.1 CCSC(=O)Cl PI-38596 [1,1,0,0,0,0|2,0,0]=4 170 B5R0.1 CNCC(=O)O PI-45053 [1,1,0,0,0,0|1,0,0]=3 171 B5R0.1 COCC(O)C PI-12912 [1,1,0,0,0,0|0,0,2]=4 172 B5R0.1 CSCC(=O)N PI-36555 [1,1,0,0,0,0|1,1,0]=4 173 B5R0.1 C[C@H](CCO)N PI-35493 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.1 C\C=C\C(=O)O PI-48966 [1,1,0,0,0,0|1,0,1]=4 175 B5R0.1 NCCC(=O)O PI-14317 [1,1,0,0,0,0|1,0,0]=3 176 B5R0.1 O=C(O)CCS PI-40342 [1,1,0,0,0,0|0,1,0]=3 177 B5R0.1 O=S(CSC)C PI-39632 [1,1,0,0,0,0|1,1,0]=4 178 B5R0.1 OC(CON)=O PI-37190 [1,1,0,0,0,0|0,0,0]=2 179 B5R0.1 OCCC(=C)Br PI-34814 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.1 OCCC(=O)O PI-20855 [1,1,0,0,0,0|0,0,0]=2 181 B5R0.1 OCC[C@H](O)C PI-15617 [1,1,0,0,0,0|0,0,2]=4 182 B5R0.4 CC(C)(CO)N PI-50412 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.4 CCS(=O)(=O)O PI-42934 [1,1,0,0,0,0|2,0,0]=4 184 B5R0.4 C[Si](C)(C)CO PI-35298 [1,1,0,0,0,0|1,1,0]=4 185 B5R0.4 NCS(=O)(=O)O PI-12154 [1,1,0,0,0,0|2,0,0]=4 186 B5R0.4 OCC(F)(F)C PI-39537 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.5 C(C(=O)Cl)(F)F PI-48696 [1,1,0,0,0,0|2,0,0]=4 188 B5R0.5 C(C(=O)O)(F)F PI-21386 [1,1,0,0,0,0|1,0,0]=3 189 B5R0.5 C(C(=O)O)(N)O PI-48421 [1,1,0,0,0,0|0,0,0]=2 190 B5R0.5 CC(=C)C(=O)C PI-41913 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [1,1,0,0,0,0|0,0,2]=4 192 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [1,1,0,0,0,0|0,0,2]=4 193 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [1,1,0,0,0,0|0,0,2]=4 194 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [1,1,0,0,0,0|0,0,2]=4 195 B5R0.5 CC(C(=O)C)Br PI-35002 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.5 CC(C(=O)C)S PI-48502 [1,1,0,0,0,0|0,1,0]=3 197 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.5 CC(C(=O)N)C PI-28643 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.5 CC(C(=O)N)N PI-16292 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.5 CC(C(=O)N)N PI-42205 [1,1,0,0,0,0|2,0,0]=4 203 B5R0.5 CC(C(=O)O)Br PI-47030 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.5 CC(C(=O)O)Cl PI-28351 [1,1,0,0,0,0|1,0,0]=3 205 B5R0.5 CC(C(=O)O)F PI-40363 [1,1,0,0,0,0|1,0,0]=3 206 B5R0.5 CC(C(=O)[O-])O PI-14769 [1,1,0,0,0,0|0,0,1]=3 207 B5R0.5 CC(C(C)S)O PI-13701 [1,1,0,0,0,0|0,1,1]=4 208 B5R0.5 CC(C(C)S)O PI-48503 [1,1,0,0,0,0|0,1,1]=4 209 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.5 C[C@H](C(=N)N)O PI-48998 [1,1,0,0,0,0|2,0,0]=4 211 B5R0.5 C[C@H](C(=O)O)O PI-36770 [1,1,0,0,0,0|0,0,0]=2 212 B5R0.5 ClC(C(=O)[O-])Cl PI-39489 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [1,1,0,0,0,0|1,0,0]=3 214 B5R0.5 OC(=O)C(=O)C PI-15477 [1,1,0,0,0,0|0,0,1]=3 215 B5R0.2 C(=NO)C=NO PI-48870 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.2 C(C#CCO)O PI-44635 [1,1,0,0,0,0|0,0,1]=3 217 B5R0.2 C(C=CCCl)Cl PI-40200 [1,1,0,0,0,0|2,0,0]=4 218 B5R0.2 C(CCCl)CO PI-15813 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.2 COCCCCl PI-38032 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.2 COCCCO PI-10094 [1,1,0,0,0,0|0,0,1]=3 221 B5R0.2 NCCCCO PI-38298 [1,1,0,0,0,0|1,0,1]=4 222 B5R0.2 OCCCC#C PI-13238 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.2 OCCCC=C PI-13243 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.2 OCCCCBr PI-12762 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.2 OC\C=C\CO PI-40910 [1,1,0,0,0,0|0,0,0]=2 226 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.3 C=CCNC(=O)CCl PI-15657 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.3 COCCC(=O)NN PI-50294 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.5 CCOC(=O)C(Br)F PI-13394 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.5 CCOC(=O)C(C)Br PI-44612 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.5 CCOC(=O)C(C)F PI-12305 [0,2,0,0,0,0|2,0,0]=4 238 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.5 CCOC(=O)C(F)F PI-24421 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.5 CCOC(=O)C(F)I PI-49445 [0,2,0,0,0,0|2,0,0]=4 241 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,2,0,0,0,0|2,0,0]=4 242 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.7 CCCC(=O)OCCl PI-36667 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.7 CCOC(=O)COC PI-50353 [0,2,0,0,0,0|1,0,0]=3 246 B7R0.7 CCOC(=O)CSC PI-39857 [0,2,0,0,0,0|1,1,0]=4 247 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.7 CNCC(=O)OCC PI-30682 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.7 COCC(N)COC PI-36402 [0,2,0,0,0,0|1,0,1]=4 250 B7R0.7 NCCC(=O)OCC PI-33213 [0,2,0,0,0,0|2,0,0]=4 251 B7R0.7 OCCC(=O)OCC PI-39562 [0,2,0,0,0,0|1,0,0]=3 252 B7R0.10 C(C(=O)C(=O)CBr)Br PI-40020 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.10 CC(C(=O)NN)OC PI-50407 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,2,0,0,0,0|1,0,0]=3 256 B7R0.10 CN(OC)C(=O)CCl PI-19826 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.10 COC(=O)C(=C)CO PI-41263 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.10 COC(=O)C(CO)N PI-11634 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.10 COC(=O)C(CO)O PI-42716 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.10 OC[C@H]([C@H](C=O)O)O PI-27736 [0,2,0,0,0,0|0,0,2]=4 263 B7R0.12 CCCC(CO)CO PI-44018 [0,2,0,0,0,0|1,0,1]=4 264 B7R0.14 CC(C)(C(=O)NN)O PI-50406 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.14 CC(C)(C)C(=O)CCl PI-44144 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.14 CC(C)(C)C(=O)CN PI-15868 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.14 CCC(=O)C(F)(F)F PI-40184 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.14 COC(=O)C(O)(C)C PI-13169 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.18 CCC(CO)(CO)N PI-34179 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.18 OCC(CO)(CO)N PI-27069 [0,2,0,0,0,0|0,0,2]=4 271 B7R0.18 OCC(N)(CO)CO PI-34173 [0,2,0,0,0,0|0,0,2]=4 272 B5R1.2 C1C(=O)CN1 PI-48919 [1,0,0,1,0,0|1,0,0]=3 273 B5R1.2 NC1COC1 PI-41949 [1,0,0,1,0,0|1,0,1]=4 274 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,1,0,0|1,0,0]=3 275 B5R1.2 O=C1COC1 PI-38969 [1,0,0,1,0,0|0,0,0]=2 276 B5R1.2 OC1COC1 PI-38454 [1,0,0,1,0,0|0,0,2]=4 277 B5R1.3 C1C(O1)CO PI-10360 [1,0,0,1,0,0|0,0,2]=4 278 B5R1.3 OC[C@H]1CO1 PI-10359 [1,0,0,1,0,0|0,0,2]=4 279 B5R1.1 C1COC=C1 PI-45414 [1,0,0,1,0,0|1,0,1]=4 280 B7R1.1 C1COCC1CO PI-41224 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.2 C1C(=O)COC1=O PI-17979 [0,1,0,1,0,0|0,0,1]=3 282 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.2 C1C(COC1=O)O PI-28663 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.3 C1CC(=O)COC1 PI-39263 [0,1,0,1,0,0|1,0,0]=3 291 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.3 C1CNCCC1=O PI-43209 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.3 C1COCCC1=O PI-47224 [0,1,0,1,0,0|1,0,0]=3 294 B7R1.3 C=C1CCOCC1 PI-42723 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.3 CC1=CCOCC1 PI-42722 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.3 O=C1CCCCO1 PI-37295 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.3 O=C1CCCNC1 PI-35479 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.3 O=C1CCNCC1 PI-12489 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.3 O=C1CCNCC1 PI-37237 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.3 O=C1CCOCC1 PI-13776 [0,1,0,1,0,0|1,0,0]=3 301 B7R1.3 O=C1CCSCC1 PI-40196 [0,1,0,1,0,0|1,1,0]=4 302 B7R1.3 O=C1COCCN1 PI-38277 [0,1,0,1,0,0|1,0,0]=3 303 B7R1.3 O=C1COCCO1 PI-44056 [0,1,0,1,0,0|1,0,0]=3 304 B7R1.3 O=C1NCCNC1 PI-31800 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.4 BrC1CCOC1=O PI-37275 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.4 C1C(C(=O)NO1)N PI-16473 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.4 C1CNC(=O)C1N PI-48181 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.4 C1COC(=O)C1N PI-45116 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,1,0,1,0,0|1,0,0]=3 312 B7R1.4 NC1CONC1=O PI-38463 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.4 O=C1NCCC1C PI-27005 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,1,0,1,0,0|1,0,0]=3 315 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.6 OCCC1COC1 PI-36428 [0,1,0,1,0,0|1,0,1]=4 317 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.25 CC1(COC1)CO PI-24315 [0,1,0,1,0,0|1,0,1]=4 319 B7R1.29 C1CC1(CO)CO PI-13563 [0,1,0,1,0,0|1,0,1]=4