0 B5R0.1 B(CCC)(O)O PI-35885 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 BrCC=C(C)C PI-12725 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 BrCCN(C)C PI-41040 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C(CBr)C(=O)Cl PI-47061 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 C(CCl)C(=O)Cl PI-48842 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 CC#CC(=O)O PI-12861 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CC(=C)CCBr PI-40493 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 CC(=O)NCO PI-29791 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 CC(CCO)N PI-34839 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CC(CCO)N PI-35494 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CC(CCO)O PI-15618 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 CC=CC(=O)C PI-45740 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.1 CCCC(=O)N PI-32787 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 CCCC(C)N PI-36925 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CCCC(C)O PI-42533 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.1 CCC[C@@H](O)C PI-42532 [0,0,0,0,0,0|1,0,2]=3 17 B5R0.1 CCOC(=O)C PI-13192 [0,0,0,0,0,0|0,1,0]=1 18 B5R0.1 CCOC(=S)[S-] PI-47063 [0,0,0,0,0,0|1,2,0]=3 19 B5R0.1 CCO[Si](C)C PI-50089 [0,0,0,0,0,0|1,2,0]=3 20 B5R0.1 CCSC(=O)C PI-48509 [0,0,0,0,0,0|0,0,0]=0 21 B5R0.1 CCSC(=O)Cl PI-38596 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.1 CNCC(=O)O PI-45053 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 COCC(O)C PI-12912 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.1 CSCC(=O)N PI-36555 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.1 C[C@H](CCO)N PI-35493 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 C\C=C\C(=O)N PI-50568 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.1 C\C=C\C(=O)O PI-48966 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.1 NC(CCC)=N PI-37197 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.1 NCCC(=O)O PI-14317 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.1 O=C(O)CCS PI-40342 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.1 O=S(CSC)C PI-39632 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.1 OC(CON)=O PI-37190 [0,0,0,0,0,0|4,0,0]=4 33 B5R0.1 OCCC(=C)Br PI-34814 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.1 OCCC(=O)O PI-20855 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.1 OCC[C@H](O)C PI-15617 [0,0,0,0,0,0|2,0,2]=4 36 B4R0.1 C#CC(=O)N PI-48352 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 C(=O)(N)NO PI-15345 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 C(C(=N)N)N PI-44870 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 C(C(=O)Cl)Br PI-46514 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 C(C(=O)N)I PI-47045 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 C(C(=O)N)N PI-14271 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 C(C(=O)[O-])Cl PI-44622 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 C=C(CBr)Br PI-10979 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(=C)CBr PI-46510 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CC(=CBr)C PI-46509 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CC(=O)C#C PI-15653 [1,0,0,0,0,0|0,0,2]=3 47 B4R0.1 CC(=O)CBr PI-38994 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 CC(=O)NBr PI-47108 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 CC(C)CN PI-46903 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 CC(C)NC PI-41120 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 CC(CN)O PI-16659 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 CC(CO)O PI-16674 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.1 CC(O)=NO PI-10772 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 CCB(O)O PI-25578 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CCC(=N)N PI-35437 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 CCC(C)O PI-15619 [1,0,0,0,0,0|0,0,2]=3 57 B4R0.1 CN=C(N)N PI-12937 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 CNN(C)C PI-40655 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 COC(=N)N PI-30686 [1,0,0,0,0,0|2,1,0]=4 60 B4R0.1 C[C@@H](CO)N PI-12236 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 C[C@@H](N)CO PI-16472 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 C[C@@H](O)CN PI-12234 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.1 ClCC(Cl)=C PI-15434 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 NC(=N)CCl PI-30038 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.1 NC(=O)CBr PI-10963 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 NC[C@@H](N)C PI-39121 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 OC[C@H](O)C PI-16673 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.2 C(=O)[N-]C=O PI-42986 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.2 C=CCCBr PI-20589 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 CC#CCBr PI-20598 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.2 CC#CCO PI-15652 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 CC=CCO PI-41583 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.2 CCCCCl PI-44613 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 CCCNC PI-39187 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.2 CCOC=C PI-12733 [1,0,0,0,0,0|0,1,1]=3 76 B4R0.2 CNCC=C PI-41121 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 COCCBr PI-21426 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.2 ClCCNC PI-41980 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.1 C(CS)C(=O)NN PI-50543 [0,1,0,0,0,0|3,0,0]=4 81 B6R0.1 CC#CC(=O)OC PI-48956 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.1 CCCC(=O)NN PI-23070 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.1 CCCC(=O)SC PI-48512 [0,1,0,0,0,0|1,0,0]=2 84 B6R0.1 CCCC(CC)Cl PI-46859 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.1 CCCC(CO)O PI-13556 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.1 CCOC(=O)C#C PI-35147 [0,1,0,0,0,0|0,1,1]=3 87 B6R0.1 CCOC(=O)CBr PI-15815 [0,1,0,0,0,0|0,1,0]=2 88 B6R0.1 CCOC(=O)NC PI-50343 [0,1,0,0,0,0|0,1,0]=2 89 B6R0.1 CNCC(=O)OC PI-45586 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.1 COC(=O)CCN PI-31148 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.1 COCC(=O)NN PI-50354 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,1,0,0,0,0|0,1,1]=3 93 B6R0.1 NNC(OCC)=O PI-28515 [0,1,0,0,0,0|1,1,0]=3 94 B6R0.1 O=C(OC)CCO PI-41038 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,1,0,0,0,0|1,0,1]=3 96 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,1,0,0,0,0|0,2,0]=3 99 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,1,0,0,0,0|0,1,0]=2 100 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.2 CC(C)NC(C)C PI-41089 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.2 CC(C)NC(C)C PI-45766 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,1,0,0,0,0|1,2,0]=4 104 B6R0.2 CC(CC(=O)O)N PI-35438 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.2 CC(CC(=O)O)N PI-35481 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.2 CC(CC(=O)O)N PI-43821 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.2 CC(CC(=O)O)O PI-47070 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.2 CC(CC(C)Br)Br PI-25295 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,1,0,0,0,0|0,1,0]=2 110 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,1,0,0,0,0|1,1,0]=3 111 B6R0.2 CN(C)CC(=O)O PI-15416 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,1,0,0,0,0|3,0,0]=4 115 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,1,0,0,0,0|1,0,1]=3 116 B6R0.3 C(C(C(=O)Cl)Br)Br PI-13029 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [0,1,0,0,0,0|3,0,0]=4 118 B6R0.3 C(C(C(=O)O)N)N PI-31828 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.3 C(C(C(=O)O)N)N PI-35715 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.3 C(C(C(=O)O)N)N PI-35737 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.3 C(C(C(=O)O)N)S PI-15750 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.3 C(C(C(=O)O)O)N PI-12867 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.3 CC(C(=O)O)NC PI-27549 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.3 CC(C(=O)O)NC PI-27557 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.3 CC=C(C)C(=O)O PI-40492 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.3 CCC(=O)C(C)C PI-39171 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.3 CCC(C(=O)C)S PI-48501 [0,1,0,0,0,0|1,0,0]=2 130 B6R0.3 CCC(C(=O)N)N PI-10559 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.3 CCC(C(=O)O)N PI-28320 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.3 CCC(C(=O)O)N PI-43844 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.3 CCC(C(C)Br)Br PI-25651 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.3 CN(C(=O)Cl)CC PI-38703 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.3 CNC(=O)C(=O)O PI-19400 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.3 NC(C(=O)O)CN PI-10165 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.3 NC(C(=O)O)CN PI-35820 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.3 NC(CO)C(O)=O PI-35846 [0,1,0,0,0,0|3,0,0]=4 142 B6R0.3 NC(CS)C(=O)O PI-15748 [0,1,0,0,0,0|3,0,0]=4 143 B6R0.3 NCC(C(=O)O)O PI-38395 [0,1,0,0,0,0|3,0,0]=4 144 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [0,1,0,0,0,0|3,0,0]=4 145 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [0,1,0,0,0,0|3,0,0]=4 146 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.3 O=C(O)C(C)CN PI-42145 [0,1,0,0,0,0|3,0,0]=4 148 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [0,1,0,0,0,0|3,0,0]=4 149 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [0,1,0,0,0,0|3,0,0]=4 150 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.4 BrC\C=C\C(=O)O PI-36796 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.4 C#CCCC(=O)O PI-30018 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.4 C(CC(=O)O)C#N PI-35487 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.4 C(CO[N+](=O)[O-])N PI-50153 [0,1,0,0,0,0|2,1,0]=4 155 B6R0.4 CC(NCCS)=O PI-37034 [0,1,0,0,0,0|1,0,0]=2 156 B6R0.4 CC=CCC(=O)O PI-47130 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.4 CC=NNC(=O)N PI-26775 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.4 CCC#CC(C)O PI-10903 [0,1,0,0,0,0|1,0,2]=4 159 B6R0.4 CCCCC(=O)[O-] PI-46856 [0,1,0,0,0,0|2,0,0]=3 160 B6R0.4 CCCCC(C)O PI-42555 [0,1,0,0,0,0|1,0,2]=4 161 B6R0.4 CCCC[C@@H](C)O PI-49839 [0,1,0,0,0,0|1,0,2]=4 162 B6R0.4 CCCNC(=O)N PI-19783 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.4 CCNCC(=O)O PI-43211 [0,1,0,0,0,0|2,0,0]=3 164 B6R0.4 CN(C)CCCCl PI-50389 [0,1,0,0,0,0|3,0,0]=4 165 B6R0.4 CN(C)CCCO PI-31996 [0,1,0,0,0,0|3,0,0]=4 166 B6R0.4 CNCCN(C)C PI-39257 [0,1,0,0,0,0|3,0,0]=4 167 B6R0.4 CSCCC(=O)O PI-31992 [0,1,0,0,0,0|2,0,0]=3 168 B6R0.4 ClCCCC(=O)C PI-39487 [0,1,0,0,0,0|1,0,0]=2 169 B6R0.4 ClCCCN(C)C PI-34098 [0,1,0,0,0,0|3,0,0]=4 170 B6R0.4 NC(=O)NCC#C PI-38748 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.4 NCCCC(=O)O PI-35917 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.4 O=C(O)CCCBr PI-40017 [0,1,0,0,0,0|2,0,0]=3 173 B6R0.4 O=C(O)CCCCl PI-41227 [0,1,0,0,0,0|2,0,0]=3 174 B6R0.4 OCCCC(=O)C PI-13555 [0,1,0,0,0,0|1,0,0]=2 175 B6R0.4 [O-]C(=O)CNCO PI-36238 [0,1,0,0,0,0|3,0,0]=4 176 B6R0.5 CCCS(=O)(=O)Cl PI-42938 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.5 CCC[Si](Cl)(C)C PI-45076 [0,1,0,0,0,0|2,1,0]=4 178 B6R0.5 CCOC(C)(C)C PI-39331 [0,1,0,0,0,0|1,1,1]=4 179 B6R0.5 CCO[Si](C)(C)C PI-45123 [0,1,0,0,0,0|1,2,0]=4 180 B6R0.5 CS(=O)(=O)CCBr PI-44875 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.5 NCC[S](=O)(=O)C PI-41234 [0,1,0,0,0,0|3,0,0]=4 182 B6R1.2 C1COC(=O)N1 PI-10783 [0,0,0,1,0,0|1,1,0]=3 183 B6R1.2 C1CSC(=S)N1 PI-33314 [0,0,0,1,0,0|1,1,0]=3 184 B6R1.2 C1CSCC1=O PI-11167 [0,0,0,1,0,0|2,0,0]=3 185 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,0,0,1,0,0|0,1,2]=4 186 B6R1.2 CC1=CC=CS1 PI-11146 [0,0,0,1,0,0|1,0,2]=4 187 B6R1.2 CC1CCCN1 PI-35484 [0,0,0,1,0,0|2,0,1]=4 188 B6R1.2 CC1CCCN1 PI-35485 [0,0,0,1,0,0|2,0,1]=4 189 B6R1.2 CC1CCCS1 PI-47093 [0,0,0,1,0,0|1,0,1]=3 190 B6R1.2 CN1CCCC1 PI-49852 [0,0,0,1,0,0|3,0,0]=4 191 B6R1.2 Cc1cncs1 PI-33497 [0,0,0,1,0,0|2,0,1]=4 192 B6R1.2 Cc1nccs1 PI-11132 [0,0,0,1,0,0|1,0,2]=4 193 B6R1.2 NC1=NCCS1 PI-15432 [0,0,0,1,0,0|2,0,0]=3 194 B6R1.2 NN1CCCC1 PI-14899 [0,0,0,1,0,0|3,0,0]=4 195 B6R1.2 O=C1CC=CC1 PI-38266 [0,0,0,1,0,0|1,0,2]=4 196 B6R1.2 O=C1CCOC1 PI-42678 [0,0,0,1,0,0|2,0,0]=3 197 B6R1.2 O=C1NCNC1 PI-35001 [0,0,0,1,0,0|2,0,0]=3 198 B6R1.5 C1C(CC1=O)N PI-48953 [0,0,0,1,0,0|2,0,0]=3 199 B6R1.10 C[Si]1(CCC1)Cl PI-45038 [0,0,0,1,0,0|2,1,0]=4 200 B6R1.11 C1CC1C(=N)N PI-13557 [0,0,0,1,0,0|3,0,0]=4 201 B6R1.11 C1CC1C(=O)Cl PI-32773 [0,0,0,1,0,0|2,0,0]=3 202 B6R1.11 C1CC1C(=O)N PI-30796 [0,0,0,1,0,0|2,0,0]=3 203 B6R1.11 CC(=O)C1CC1 PI-12875 [0,0,0,1,0,0|1,0,0]=2 204 B6R1.11 C[C@@H](C1CC1)N PI-48052 [0,0,0,1,0,0|2,0,1]=4 205 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|0,0,0]=2 206 B3R0.1 CCCN PI-46904 [2,0,0,0,0,0|1,0,1]=4 207 B3R0.1 CCCN PI-46913 [2,0,0,0,0,0|1,0,1]=4 208 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|1,0,0]=3 209 B3R0.1 COCBr PI-22152 [2,0,0,0,0,0|1,1,0]=4 210 B3R0.1 CONC PI-16632 [2,0,0,0,0,0|1,1,0]=4 211 B3R0.1 C\C=N\O PI-37002 [2,0,0,0,0,0|2,0,0]=4 212 B3R0.1 NNC=O PI-38803 [2,0,0,0,0,0|2,0,0]=4 213 B3R0.1 [CH2-]CCC PI-37346 [2,0,0,0,0,0|0,0,2]=4 214 B3R0.2 CC(=O)O PI-11632 [2,0,0,0,0,0|0,1,0]=3 215 B3R0.2 CC(=O)O PI-38547 [2,0,0,0,0,0|0,1,0]=3 216 B3R0.2 CC(=O)[O-] PI-20290 [2,0,0,0,0,0|0,1,0]=3 217 B3R0.2 CC(=S)N PI-16528 [2,0,0,0,0,0|1,0,1]=4 218 B3R0.2 CC(C)[O-] PI-47044 [2,0,0,0,0,0|0,0,2]=4 219 B3R0.2 CC([O-])=S PI-36444 [2,0,0,0,0,0|0,0,2]=4 220 B3R0.2 C[S+](C)C PI-41785 [2,0,0,0,0,0|2,0,0]=4 221 B3R0.2 [O-]C(=O)C PI-37083 [2,0,0,0,0,0|0,1,0]=3 222 B3R0.2 [O-]C(=O)C PI-41421 [2,0,0,0,0,0|0,1,0]=3 223 B5R0.3 C(C(=O)NN)O PI-50333 [1,1,0,0,0,0|2,0,0]=4 224 B5R0.3 C(C(=O)NN)S PI-50542 [1,1,0,0,0,0|2,0,0]=4 225 B5R0.3 CCC(=C)C=O PI-44654 [1,1,0,0,0,0|0,0,1]=3 226 B5R0.3 CCC(=O)CBr PI-20588 [1,1,0,0,0,0|0,0,0]=2 227 B5R0.3 CCC(=O)NN PI-50290 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.3 CCC(CO)N PI-45910 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.3 CNC(=O)CCl PI-39443 [1,1,0,0,0,0|1,0,0]=3 230 B5R0.3 COC(=O)C#C PI-35828 [1,1,0,0,0,0|0,0,2]=4 231 B5R0.3 ClCC(=C)CCl PI-41237 [1,1,0,0,0,0|2,0,0]=4 232 B5R0.3 OCC(=C)CO PI-24347 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.4 CCC(C)(C)[O-] PI-38669 [1,1,0,0,0,0|0,0,2]=4 234 B5R0.4 CCS(=O)(=O)Cl PI-42937 [1,1,0,0,0,0|2,0,0]=4 235 B5R0.4 CCS(=O)(=O)O PI-42934 [1,1,0,0,0,0|2,0,0]=4 236 B5R0.4 CSS(=O)(=O)C PI-24302 [1,1,0,0,0,0|1,0,0]=3 237 B5R0.5 C(C(=O)Cl)(F)F PI-48696 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.5 C(C(=O)O)(F)F PI-21386 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.5 C(C(=O)O)(N)O PI-48421 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.5 CC(=C)C(=O)C PI-41913 [1,1,0,0,0,0|0,0,1]=3 241 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [1,1,0,0,0,0|1,0,1]=4 243 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.5 CC(C(=O)C)Br PI-35002 [1,1,0,0,0,0|0,0,0]=2 246 B5R0.5 CC(C(=O)C)S PI-48502 [1,1,0,0,0,0|0,0,0]=2 247 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [1,1,0,0,0,0|1,0,0]=3 248 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.5 CC(C(=O)N)C PI-28643 [1,1,0,0,0,0|1,0,0]=3 251 B5R0.5 CC(C(=O)N)N PI-16292 [1,1,0,0,0,0|1,0,0]=3 252 B5R0.5 CC(C(=O)N)N PI-42205 [1,1,0,0,0,0|1,0,0]=3 253 B5R0.5 CC(C(=O)O)Br PI-47030 [1,1,0,0,0,0|1,0,0]=3 254 B5R0.5 CC(C(=O)O)Cl PI-28351 [1,1,0,0,0,0|1,0,0]=3 255 B5R0.5 CC(C(=O)O)F PI-40363 [1,1,0,0,0,0|1,0,0]=3 256 B5R0.5 CC(C(=O)[O-])O PI-14769 [1,1,0,0,0,0|1,0,0]=3 257 B5R0.5 CC(C(C)S)O PI-13701 [1,1,0,0,0,0|0,0,2]=4 258 B5R0.5 CC(C(C)S)O PI-48503 [1,1,0,0,0,0|0,0,2]=4 259 B5R0.5 CC(C(C)S)S PI-48471 [1,1,0,0,0,0|0,1,1]=4 260 B5R0.5 CN(C)C(=O)N PI-50675 [1,1,0,0,0,0|2,0,0]=4 261 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [1,1,0,0,0,0|1,0,0]=3 262 B5R0.5 C[C@H](C(=N)N)O PI-48998 [1,1,0,0,0,0|2,0,0]=4 263 B5R0.5 C[C@H](C(=O)O)O PI-36770 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.5 ClC(C(=O)[O-])Cl PI-39489 [1,1,0,0,0,0|2,0,0]=4 265 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.5 OC(=O)C(=O)C PI-15477 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.2 BrCCCC=C PI-39146 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.2 BrCCSCC PI-21417 [1,1,0,0,0,0|0,0,1]=3 269 B5R0.2 C(C=CCCl)Cl PI-40200 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.2 C=COCCO PI-12735 [1,1,0,0,0,0|0,1,1]=4 271 B5R0.2 CCCSSC PI-48493 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.2 CCNCCN PI-13215 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.2 CCO\C=C\C PI-12734 [1,1,0,0,0,0|0,1,0]=3 274 B5R0.2 CCSCCN PI-22120 [1,1,0,0,0,0|0,0,1]=3 275 B5R0.2 CCSSCC PI-45874 [1,1,0,0,0,0|0,0,1]=3 276 B5R0.2 CNCCNC PI-39066 [1,1,0,0,0,0|2,0,0]=4 277 B5R0.2 CNCCSC PI-35879 [1,1,0,0,0,0|2,0,0]=4 278 B5R0.2 COCCC=O PI-45882 [1,1,0,0,0,0|1,0,0]=3 279 B5R0.2 COCCCCl PI-38032 [1,1,0,0,0,0|2,0,0]=4 280 B5R0.2 COCCCO PI-10094 [1,1,0,0,0,0|2,0,0]=4 281 B5R0.2 CSCCC=O PI-45744 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.2 ClCCN=C=O PI-22789 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.2 O=CCCC=O PI-14232 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.2 OCCCC=C PI-13243 [1,1,0,0,0,0|1,0,1]=4 285 B5R0.2 OC\C=C\CO PI-40910 [1,1,0,0,0,0|2,0,0]=4 286 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.2 CC(=CC(=O)OC)N PI-13659 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.2 CC(C)NC(=O)NN PI-50450 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,2,0,0,0,0|0,1,0]=3 291 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,2,0,0,0,0|1,0,0]=3 292 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,2,0,0,0,0|1,0,0]=3 293 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,2,0,0,0,0|0,1,0]=3 295 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.2 COC(=O)CC(C)N PI-42155 [0,2,0,0,0,0|1,0,0]=3 297 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,2,0,0,0,0|1,0,0]=3 298 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,2,0,0,0,0|0,1,0]=3 302 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.3 C=CCNC(=O)CCl PI-15657 [0,2,0,0,0,0|1,0,1]=4 304 B7R0.3 CCCCC(=O)NN PI-50263 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.3 COC(=O)CCC#C PI-39349 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.3 COC(=O)CCC=O PI-48276 [0,2,0,0,0,0|1,0,1]=4 307 B7R0.3 COC(=O)CCCBr PI-44980 [0,2,0,0,0,0|1,0,0]=3 308 B7R0.3 COC(=O)CCCN PI-42165 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.3 COC(=O)CCSC PI-45979 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.3 COC(=O)\C=C\CBr PI-10946 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.3 COCCC(=O)NN PI-50294 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.3 CO\C=C\C(=O)OC PI-37579 [0,2,0,0,0,0|1,0,1]=4 313 B7R0.3 O=C(OC)CCNC PI-40057 [0,2,0,0,0,0|1,0,0]=3 314 B7R0.5 C(CBr)C(C(=O)Br)Br PI-48161 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [0,2,0,0,0,0|2,0,0]=4 316 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [0,2,0,0,0,0|2,0,0]=4 317 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [0,2,0,0,0,0|2,0,0]=4 318 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [0,2,0,0,0,0|2,0,0]=4 319 B7R0.5 CCCC(C(=O)O)Br PI-44608 [0,2,0,0,0,0|2,0,0]=4 320 B7R0.5 CCCC(C(=O)O)N PI-13494 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [0,2,0,0,0,0|2,0,0]=4 322 B7R0.5 CCOC(=O)C(=C)Br PI-35460 [0,2,0,0,0,0|0,1,1]=4 323 B7R0.5 CCOC(=O)C(=S)N PI-34781 [0,2,0,0,0,0|0,1,1]=4 324 B7R0.5 CCOC(=O)C(Br)F PI-13394 [0,2,0,0,0,0|0,1,0]=3 325 B7R0.5 CCOC(=O)C(C)Br PI-44612 [0,2,0,0,0,0|0,1,0]=3 326 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [0,2,0,0,0,0|0,1,0]=3 327 B7R0.5 CCOC(=O)C(C)F PI-12305 [0,2,0,0,0,0|0,1,0]=3 328 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [0,2,0,0,0,0|0,1,0]=3 329 B7R0.5 CCOC(=O)C(F)F PI-24421 [0,2,0,0,0,0|0,1,0]=3 330 B7R0.5 CCOC(=O)C(F)I PI-49445 [0,2,0,0,0,0|0,1,0]=3 331 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,2,0,0,0,0|0,1,0]=3 332 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,2,0,0,0,0|0,1,0]=3 333 B7R0.5 COCC(C(=O)O)N PI-14934 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.5 COCC(C(=O)O)N PI-14935 [0,2,0,0,0,0|2,0,0]=4 335 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.5 NC(CCBr)C(=O)O PI-36244 [0,2,0,0,0,0|2,0,0]=4 337 B7R0.5 NC(CCO)C(O)=O PI-41434 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.5 NC(CCS)C(=O)O PI-27603 [0,2,0,0,0,0|2,0,0]=4 339 B7R0.5 NCCC(C(=O)O)N PI-27828 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [0,2,0,0,0,0|2,0,0]=4 343 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [0,2,0,0,0,0|2,0,0]=4 344 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.7 C(CCl)C(=O)CCCl PI-12892 [0,2,0,0,0,0|2,0,0]=4 346 B7R0.7 CCCC(=O)OCCl PI-36667 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.7 CCOC(=O)C#CC PI-22064 [0,2,0,0,0,0|0,1,0]=3 348 B7R0.7 CCOC(=O)COC PI-50353 [0,2,0,0,0,0|0,1,0]=3 349 B7R0.7 CCOC(=O)CSC PI-39857 [0,2,0,0,0,0|0,1,0]=3 350 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [0,2,0,0,0,0|0,1,0]=3 351 B7R0.7 CCOC(=O)N=C=S PI-36556 [0,2,0,0,0,0|0,1,1]=4 352 B7R0.7 CNCC(=O)OCC PI-30682 [0,2,0,0,0,0|0,1,0]=3 353 B7R0.7 NCCC(=O)OCC PI-33213 [0,2,0,0,0,0|0,1,0]=3 354 B7R0.7 OCCC(=O)OCC PI-39562 [0,2,0,0,0,0|0,1,0]=3 355 B7R0.10 C(C(=O)C(=O)CBr)Br PI-40020 [0,2,0,0,0,0|2,0,0]=4 356 B7R0.10 CC(CBr)C(=O)OC PI-44215 [0,2,0,0,0,0|2,0,0]=4 357 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,2,0,0,0,0|2,0,0]=4 358 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,2,0,0,0,0|1,0,0]=3 359 B7R0.10 CCC(N)C(OC)=O PI-42163 [0,2,0,0,0,0|1,0,0]=3 360 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [0,2,0,0,0,0|1,0,0]=3 361 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [0,2,0,0,0,0|1,0,0]=3 362 B7R0.10 CN(OC)C(=O)CCl PI-19826 [0,2,0,0,0,0|2,0,0]=4 363 B7R0.10 CNC(=O)C(=O)NC PI-14652 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.10 COC(=O)C(=C)CBr PI-10940 [0,2,0,0,0,0|2,0,0]=4 365 B7R0.10 COC(=O)C(=C)CCl PI-41261 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.10 COC(=O)C(=C)CO PI-41263 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.10 COC(=O)C(CCl)N PI-28403 [0,2,0,0,0,0|2,0,0]=4 368 B7R0.10 COC(=O)C(CCl)N PI-39772 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.10 COC(=O)C(CCl)N PI-41755 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.10 COC(=O)C(CO)N PI-11634 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.10 COC(=O)C(CO)O PI-42716 [0,2,0,0,0,0|2,0,0]=4 372 B7R0.10 COC(=O)C(CS)N PI-15751 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [0,2,0,0,0,0|2,0,0]=4 374 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.9 CC(=O)N[Si](C)(C)C PI-35306 [0,2,0,0,0,0|1,1,0]=4 378 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [0,2,0,0,0,0|0,1,0]=3 379 B7R0.9 CC(=O)O[Si](C)(C)C PI-35315 [0,2,0,0,0,0|0,2,0]=4 380 B7R0.9 CC(C)(Br)CC(O)=O PI-46614 [0,2,0,0,0,0|2,0,0]=4 381 B7R0.9 CC(C)(C)OC(=O)N PI-43374 [0,2,0,0,0,0|1,1,0]=4 382 B7R0.9 CC(C)(CC(=O)[O-])O PI-26114 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.9 ClC(=O)CC(C)(C)C PI-11617 [0,2,0,0,0,0|2,0,0]=4 384 B7R0.9 OC(=O)CC(C)(C)C PI-11616 [0,2,0,0,0,0|2,0,0]=4 385 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,2,0,0,0,0|2,0,0]=4 386 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,2,0,0,0,0|2,0,0]=4 387 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,2,0,0,0,0|2,0,0]=4 388 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,2,0,0,0,0|2,0,0]=4 389 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,2,0,0,0,0|2,0,0]=4 390 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,2,0,0,0,0|2,0,0]=4 391 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,2,0,0,0,0|2,0,0]=4 392 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,2,0,0,0,0|2,0,0]=4 393 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,2,0,0,0,0|2,0,0]=4 394 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,2,0,0,0,0|2,0,0]=4 396 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,2,0,0,0,0|2,0,0]=4 397 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,2,0,0,0,0|2,0,0]=4 398 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,2,0,0,0,0|2,0,0]=4 402 B7R0.13 CCC(C)(C(=O)O)N PI-26543 [0,2,0,0,0,0|2,0,0]=4 403 B7R0.13 CCC(C)(C(=O)O)N PI-26663 [0,2,0,0,0,0|2,0,0]=4 404 B7R0.13 CCC(C)(C(=O)O)N PI-26777 [0,2,0,0,0,0|2,0,0]=4 405 B7R0.13 CCC(C)(C(=O)O)N PI-26778 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.13 CCC(C)(C(=O)O)O PI-27533 [0,2,0,0,0,0|2,0,0]=4 407 B7R0.13 CCC(C)(C)C(=O)Cl PI-25709 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.13 CCC(C)(C)C(=O)O PI-13120 [0,2,0,0,0,0|2,0,0]=4 409 B7R0.15 CCC(CC)C(=O)[O-] PI-26914 [0,2,0,0,0,0|2,0,0]=4 410 B7R0.4 BrCCCCC(=O)Cl PI-15616 [0,2,0,0,0,0|2,0,0]=4 411 B7R0.4 BrCCCCC(=O)O PI-11341 [0,2,0,0,0,0|2,0,0]=4 412 B7R0.4 C#CCCCC(O)=O PI-37286 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [0,2,0,0,0,0|2,0,0]=4 414 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [0,2,0,0,0,0|2,0,0]=4 415 B7R0.4 C(CNCC(=O)O)N PI-47160 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.4 CC(=O)CCCCCl PI-28023 [0,2,0,0,0,0|1,0,0]=3 417 B7R0.4 CCCOCC(=O)O PI-32592 [0,2,0,0,0,0|1,1,0]=4 418 B7R0.4 CCO\C=C\C(=O)O PI-41236 [0,2,0,0,0,0|1,1,0]=4 419 B7R0.4 COCCOC(=O)C PI-12910 [0,2,0,0,0,0|0,1,0]=3 420 B7R0.4 NCCCCC(=O)O PI-30804 [0,2,0,0,0,0|2,0,0]=4 421 B7R0.4 OC(=O)CCCCN PI-40783 [0,2,0,0,0,0|2,0,0]=4 422 B7R0.6 CC(=C)COC(=O)C PI-47091 [0,2,0,0,0,0|0,1,0]=3 423 B7R0.6 CC(=O)CCC(=O)C PI-48500 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.6 CC(=O)NCC(=O)C PI-36400 [0,2,0,0,0,0|1,0,0]=3 425 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,2,0,0,0,0|1,0,1]=4 426 B7R0.6 CC(=O)NNC(=O)C PI-30465 [0,2,0,0,0,0|1,0,1]=4 427 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [0,2,0,0,0,0|0,1,1]=4 428 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,2,0,0,0,0|0,1,1]=4 429 B7R0.6 CC(=O)OCC(F)F PI-21167 [0,2,0,0,0,0|0,1,0]=3 430 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,2,0,0,0,0|2,0,0]=4 431 B7R0.6 CC(C)SSC(C)C PI-48489 [0,2,0,0,0,0|1,0,1]=4 432 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [0,2,0,0,0,0|2,0,0]=4 433 B7R0.8 NCCSC(C)(C)C PI-23048 [0,2,0,0,0,0|1,0,1]=4 434 B5R1.2 BrC1CCC1 PI-37245 [1,0,0,1,0,0|1,0,1]=4 435 B5R1.2 C1C(=O)CN1 PI-48919 [1,0,0,1,0,0|1,0,0]=3 436 B5R1.2 NC1CCC1 PI-15786 [1,0,0,1,0,0|1,0,1]=4 437 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,1,0,0|0,0,0]=2 438 B5R1.2 O=C1COC1 PI-38969 [1,0,0,1,0,0|1,0,0]=3 439 B5R1.1 C1C=CCN1 PI-36315 [1,0,0,1,0,0|2,0,0]=4 440 B5R1.1 C1C=CCN1 PI-40188 [1,0,0,1,0,0|2,0,0]=4 441 B5R1.1 C1COC=C1 PI-45414 [1,0,0,1,0,0|0,1,1]=4 442 B7R1.1 C1CCN(C1)N=O PI-47048 [0,1,0,1,0,0|2,0,0]=4 443 B7R1.1 ClCC1=NCCN1 PI-39638 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.1 O=CC1=CCCC1 PI-39104 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.2 C1C(=O)COC1=O PI-17979 [0,1,0,1,0,0|0,1,1]=4 446 B7R1.2 C1C(=O)NC(=O)S1 PI-10988 [0,1,0,1,0,0|1,0,1]=4 447 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,1,0,1,0,0|1,0,1]=4 448 B7R1.2 C1C(CNC1=O)N PI-35851 [0,1,0,1,0,0|1,0,0]=3 449 B7R1.2 C1C(COC1=O)O PI-28663 [0,1,0,1,0,0|0,1,0]=3 450 B7R1.2 CC1=CC=C(S1)C PI-11158 [0,1,0,1,0,0|1,0,1]=4 451 B7R1.2 CC1=CN=C(S1)C PI-11134 [0,1,0,1,0,0|1,0,1]=4 452 B7R1.2 CC1=CSC(=N1)C PI-11115 [0,1,0,1,0,0|1,0,1]=4 453 B7R1.2 CC1COC(=O)N1 PI-35869 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,1,0,1,0,0|0,1,0]=3 455 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,1,0,1,0,0|0,1,0]=3 456 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,1,0,1,0,0|1,0,0]=3 457 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,1,0,1,0,0|0,1,0]=3 458 B7R1.2 Cc1scc(c1)C PI-29816 [0,1,0,1,0,0|1,0,1]=4 459 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,1,0,1,0,0|0,1,0]=3 460 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,1,0,1,0,0|1,0,0]=3 462 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,1,0,1,0,0|1,0,0]=3 463 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,1,0,1,0,0|0,1,0]=3 464 B7R1.3 C1CC(=O)COC1 PI-39263 [0,1,0,1,0,0|0,1,0]=3 465 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.3 C1CNCCC1=O PI-43209 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,1,0,1,0,0|0,1,1]=4 469 B7R1.3 C1COCCC1=O PI-47224 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.3 C=C1CCNCC1 PI-41106 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.3 C=C1CCOCC1 PI-42723 [0,1,0,1,0,0|2,0,0]=4 472 B7R1.3 CC1=CCCCC1 PI-42686 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.3 CC1=CCOCC1 PI-42722 [0,1,0,1,0,0|2,0,0]=4 474 B7R1.3 CC1SCCCS1 PI-25717 [0,1,0,1,0,0|0,1,1]=4 475 B7R1.3 O=C1CCCCO1 PI-37295 [0,1,0,1,0,0|0,1,0]=3 476 B7R1.3 O=C1CCCNC1 PI-35479 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.3 O=C1CCNCC1 PI-12489 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.3 O=C1CCNCC1 PI-37237 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.3 O=C1CCOCC1 PI-13776 [0,1,0,1,0,0|1,0,0]=3 480 B7R1.3 O=C1CCSCC1 PI-40196 [0,1,0,1,0,0|1,0,0]=3 481 B7R1.3 O=C1COCCN1 PI-38277 [0,1,0,1,0,0|1,0,0]=3 482 B7R1.3 O=C1COCCO1 PI-44056 [0,1,0,1,0,0|0,1,0]=3 483 B7R1.3 O=C1NCCNC1 PI-31800 [0,1,0,1,0,0|1,0,0]=3 484 B7R1.4 BrC1=C(Br)CCC1 PI-24605 [0,1,0,1,0,0|2,0,0]=4 485 B7R1.4 BrC1CCOC1=O PI-37275 [0,1,0,1,0,0|0,1,0]=3 486 B7R1.4 C1C(C(=O)NO1)N PI-16473 [0,1,0,1,0,0|2,0,0]=4 487 B7R1.4 C1CNC(=O)C1N PI-48181 [0,1,0,1,0,0|1,0,0]=3 488 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.4 C1COC(=O)C1N PI-45116 [0,1,0,1,0,0|0,1,0]=3 491 B7R1.4 C=C1CCOC1=O PI-13231 [0,1,0,1,0,0|0,1,1]=4 492 B7R1.4 CC1=CCOC1=O PI-46986 [0,1,0,1,0,0|0,1,1]=4 493 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,1,0,1,0,0|0,1,1]=4 494 B7R1.4 NC1CONC1=O PI-38463 [0,1,0,1,0,0|2,0,0]=4 495 B7R1.4 O=C1NCCC1C PI-27005 [0,1,0,1,0,0|1,0,0]=3 496 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,1,0,1,0,0|0,1,0]=3 497 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,1,0,1,0,0|0,1,0]=3 498 B7R1.10 O=C1CC(OC)C1 PI-46660 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.22 C1CC1C(=O)NN PI-17834 [0,1,0,1,0,0|2,0,0]=4 500 B7R1.22 COC(=O)C1CC1 PI-32774 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [0,1,0,1,0,0|2,0,0]=4 502 B7R1.12 C1C(C1F)C(=O)O PI-48944 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [0,1,0,1,0,0|2,0,0]=4 504 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.18 C1C(CN1)C(=O)O PI-49248 [0,1,0,1,0,0|2,0,0]=4 506 B7R1.18 C1CC(C1)C(=O)O PI-16540 [0,1,0,1,0,0|2,0,0]=4 507 B7R1.18 ClC(=O)C1CCC1 PI-13205 [0,1,0,1,0,0|2,0,0]=4 508 B7R1.18 OC(=O)C1CCN1 PI-25003 [0,1,0,1,0,0|2,0,0]=4 509 B7R1.18 OC(=O)C1CNC1 PI-14151 [0,1,0,1,0,0|2,0,0]=4 510 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [0,1,0,1,0,0|2,0,0]=4 511 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [0,1,0,1,0,0|2,0,0]=4 512 B7R1.19 NC1(CC1)C(O)=O PI-17131 [0,1,0,1,0,0|2,0,0]=4 513 B7R1.19 OC(=O)C1(C)CC1 PI-17167 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.19 OC(=O)C1(F)CC1 PI-39666 [0,1,0,1,0,0|2,0,0]=4 515 B7R1.19 OC(=O)C1(N)CC1 PI-17130 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.19 OC(=O)C1(O)CC1 PI-17158 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.14 CC1(NCCS1)C PI-11721 [0,1,0,1,0,0|1,0,1]=4 518 B7R1.14 O=S1(=O)CCCO1 PI-32116 [0,1,0,1,0,0|1,1,0]=4