0 B7R0.6 CC(=C)COC(=O)C PI-47091 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.6 CC(=O)CCC(=O)C PI-48500 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(=O)NCC(=O)C PI-36400 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(=O)NNC(=O)C PI-30465 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 CC(=O)OCC(F)F PI-21167 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.6 CC(C)CCC(C)N PI-49380 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.6 CC(C)CCC(C)O PI-30803 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.6 CC(C)SSC(C)C PI-48489 [0,0,0,0,0,0|2,1,1]=4 12 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.4 C(CO[N+](=O)[O-])N PI-50153 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.4 CC(NCCS)=O PI-37034 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 CCCCC(C)O PI-42555 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.4 CCCNC(=O)N PI-19783 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 CCNCC(=O)O PI-43211 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.4 CNCCN(C)C PI-39257 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.4 CSCCC(=O)O PI-31992 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.4 ClCCCC(=O)C PI-39487 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 NCCCC(=O)O PI-35917 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 O=C(O)CCCBr PI-40017 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 O=C(O)CCCCl PI-41227 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 O=C\C=C/N(C)C PI-12739 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 OCCCC(=O)C PI-13555 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.23 CC(=O)CC(=O)N(C)C PI-40778 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.23 CC(C(=O)C)OC(=O)C PI-26680 [0,1,0,0,0,0|1,0,1]=3 32 B8R0.23 CC(C(CC(=O)O)N)O PI-43592 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.23 CC(C)CC(Br)C(O)=O PI-40045 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.23 CC(C)CC(C(=O)O)N PI-14720 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.23 CC(C)CC(C(=O)O)O PI-45798 [0,1,0,0,0,0|2,0,0]=3 39 B8R0.23 CC(C)CC(N)C(=O)O PI-25447 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.23 CC(C)[C@@H](CC(=O)O)N PI-48270 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.23 CN(C)CC(C(=O)O)N PI-14917 [0,1,0,0,0,0|3,0,0]=4 42 B8R0.23 N[C@H](C(=O)O)CC(C)C PI-15734 [0,1,0,0,0,0|2,0,0]=3 43 B8R0.29 CC(=O)C#C[Si](C)(C)C PI-35337 [0,1,0,0,0,0|1,1,1]=4 44 B8R0.29 CC(=O)ONC(C)(C)C PI-47090 [0,1,0,0,0,0|1,0,0]=2 45 B8R0.29 O=C(O)CNC(C)(C)C PI-40873 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.29 OC(=O)COC(C)(C)C PI-22653 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.3 CC1CCC(CC1)N PI-12652 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.3 CC1CCC(CC1)N PI-13103 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.3 CC1CCC(CC1)N PI-13124 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O PI-39343 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O PI-41738 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.51 C1C(CS(=O)(=O)O1)Br PI-34765 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.51 CC1=NC(CO1)(C)C PI-46988 [0,0,0,1,0,0|1,0,0]=2 58 B8R1.51 CC1COS(=O)(=O)O1 PI-36914 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.51 C[C@@H]1COS(=O)(=O)O1 PI-48357 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.77 CC1(CC1C(=O)N)C PI-11227 [0,0,0,1,0,0|2,0,0]=3 61 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,0,0,0,1,0|1,0,2]=4 62 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,0,0,0,1,0|1,0,2]=4 63 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,0,0,0,1,0|1,0,2]=4 64 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,0,0,0,1,0|0,1,0]=2 65 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,0,0,0,1,0|1,0,0]=2 66 B6R0.2 CC(C)CB(O)O PI-37377 [0,0,0,0,1,0|2,0,1]=4 67 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,0,0,0,1,0|1,0,0]=2 68 B6R0.2 CC(C)NC(C)C PI-41089 [0,0,0,0,1,0|2,0,1]=4 69 B6R0.2 CC(C)NC(C)C PI-45766 [0,0,0,0,1,0|2,0,1]=4 70 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,0,0,0,1,0|1,1,0]=3 71 B6R0.2 CC(CC(=O)O)N PI-35438 [0,0,0,0,1,0|2,0,0]=3 72 B6R0.2 CC(CC(=O)O)N PI-35481 [0,0,0,0,1,0|2,0,0]=3 73 B6R0.2 CC(CC(=O)O)N PI-43821 [0,0,0,0,1,0|2,0,0]=3 74 B6R0.2 CC(CC(=O)O)O PI-47070 [0,0,0,0,1,0|2,0,0]=3 75 B6R0.2 CC(CC(C)Br)Br PI-25295 [0,0,0,0,1,0|2,0,1]=4 76 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,0,0,0,1,0|1,0,0]=2 77 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,0,0,0,1,0|2,0,0]=3 78 B6R0.2 CN(C)CC(=O)O PI-15416 [0,0,0,0,1,0|2,0,0]=3 79 B6R0.2 CN(C)CC(=S)N PI-12763 [0,0,0,0,1,0|2,1,0]=4 80 B6R0.2 CN(CN(C)C)C PI-39543 [0,0,0,0,1,0|3,0,0]=4 81 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,0,0,0,1,0|2,0,0]=3 82 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,0,0,0,1,0|2,0,0]=3 83 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,0,0,0,1,0|2,0,0]=3 84 B6R0.2 C[Si](C)O[Si](C)C PI-46056 [0,0,0,0,1,0|1,2,0]=4 85 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,0,0,0,1,0|1,0,2]=4 86 B8R0.28 CC(=C\C=C\C(=O)C)C PI-48754 [0,0,0,0,0,1|1,0,2]=4 87 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [0,0,0,0,0,1|2,0,1]=4 88 B8R0.28 CC(C)CCCC(=O)C PI-47229 [0,0,0,0,0,1|1,0,0]=2 89 B8R0.28 CN(C)CCCC(=O)O PI-29854 [0,0,0,0,0,1|3,0,0]=4 90 B8R0.28 CN(C\C=C\C(=O)O)C PI-32230 [0,0,0,0,0,1|3,0,0]=4 91 B5R0.1 C(CBr)C(=O)Cl PI-47061 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.1 C(CCl)C(=O)Cl PI-48842 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.1 CC(=C)CCBr PI-40493 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.1 CC(=O)NCO PI-29791 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.1 CC=CC(=O)C PI-45740 [2,0,0,0,0,0|0,0,2]=4 96 B5R0.1 CCCC(=O)N PI-32787 [2,0,0,0,0,0|1,0,0]=3 97 B5R0.1 CCCC(C)N PI-36925 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.1 CCCC(C)O PI-42533 [2,0,0,0,0,0|0,0,2]=4 99 B5R0.1 CCC[C@@H](O)C PI-42532 [2,0,0,0,0,0|0,0,2]=4 100 B5R0.1 CCOC(=O)C PI-13192 [2,0,0,0,0,0|0,0,0]=2 101 B5R0.1 CCOC(=S)[S-] PI-47063 [2,0,0,0,0,0|1,1,0]=4 102 B5R0.1 CCO[Si](C)C PI-50089 [2,0,0,0,0,0|0,1,1]=4 103 B5R0.1 CCSC(=O)C PI-48509 [2,0,0,0,0,0|0,1,0]=3 104 B5R0.1 CCSC(=O)Cl PI-38596 [2,0,0,0,0,0|1,1,0]=4 105 B5R0.1 CNCC(=O)O PI-45053 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.1 COCC(O)C PI-12912 [2,0,0,0,0,0|1,0,0]=3 107 B5R0.1 CSCC(=O)N PI-36555 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.1 NC(CCC)=N PI-37197 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.1 NCCC(=O)O PI-14317 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.1 O=C(O)CCS PI-40342 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.1 O=C=NC(C)C PI-11403 [2,0,0,0,0,0|1,0,1]=4 112 B5R0.1 O=S(CSC)C PI-39632 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.1 OCCC(=O)O PI-20855 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.2 C=COCCO PI-12735 [2,0,0,0,0,0|1,0,1]=4 115 B5R0.2 CCCSSC PI-48493 [2,0,0,0,0,0|1,1,0]=4 116 B5R0.2 CCO\C=C\C PI-12734 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.2 COCCC=O PI-45882 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.2 CSCCC=O PI-45744 [2,0,0,0,0,0|2,0,0]=4 119 B7R0.2 CCC(C)NC(=O)N PI-19842 [1,1,0,0,0,0|2,0,0]=4 120 B7R0.3 CCCCC(=O)NN PI-50263 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.3 COC(=O)CCCBr PI-44980 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.3 COC(=O)CCCN PI-42165 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.3 COC(=O)CCSC PI-45979 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.3 O=C(OC)CCNC PI-40057 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.4 BrCCCCC(=O)Cl PI-15616 [1,1,0,0,0,0|2,0,0]=4 126 B7R0.4 BrCCCCC(=O)O PI-11341 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [1,1,0,0,0,0|2,0,0]=4 128 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.4 CC(=O)CCCCCl PI-28023 [1,1,0,0,0,0|1,0,0]=3 130 B7R0.4 CCCCOC(=S)[S-] PI-47064 [1,1,0,0,0,0|1,1,0]=4 131 B7R0.4 CCCOCC(=O)O PI-32592 [1,1,0,0,0,0|1,0,0]=3 132 B7R0.4 COCCOC(=O)C PI-12910 [1,1,0,0,0,0|0,0,0]=2 133 B7R0.4 NCCCCC(=O)O PI-30804 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.4 OC(=O)CCCCN PI-40783 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.5 CCCC(C(=O)O)Br PI-44608 [1,1,0,0,0,0|2,0,0]=4 136 B7R0.5 CCCC(C(=O)O)N PI-13494 [1,1,0,0,0,0|2,0,0]=4 137 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [1,1,0,0,0,0|2,0,0]=4 138 B7R0.9 CC(=C)O[Si](C)(C)C PI-38837 [0,1,0,0,1,0|1,1,0]=4 139 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [0,1,0,0,1,0|0,0,0]=2 140 B7R0.9 CC(=O)N[Si](C)(C)C PI-35306 [0,1,0,0,1,0|1,1,0]=4 141 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [0,1,0,0,1,0|0,0,0]=2 142 B7R0.9 CC(=O)O[Si](C)(C)C PI-35315 [0,1,0,0,1,0|0,1,0]=3 143 B7R0.9 CC(C)(Br)CC(O)=O PI-46614 [0,1,0,0,1,0|1,0,0]=3 144 B7R0.9 CC(C)(C)OC(=O)N PI-43374 [0,1,0,0,1,0|1,0,0]=3 145 B7R0.9 CC(C)(CC(=O)[O-])O PI-26114 [0,1,0,0,1,0|1,0,0]=3 146 B7R0.9 CC(C)(CN(C)C)N PI-49000 [0,1,0,0,1,0|2,0,0]=4 147 B7R0.9 CC(C)O[Si](C)(C)C PI-45124 [0,1,0,0,1,0|1,1,0]=4 148 B7R0.9 ClC(=O)CC(C)(C)C PI-11617 [0,1,0,0,1,0|1,0,0]=3 149 B7R0.9 O=C(O)C[Si](C)(C)C PI-35314 [0,1,0,0,1,0|1,1,0]=4 150 B7R0.9 OC(=O)CC(C)(C)C PI-11616 [0,1,0,0,1,0|1,0,0]=3 151 B7R0.9 [O-]C(=O)C[N+](C)(C)C PI-12795 [0,1,0,0,1,0|2,0,0]=4 152 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,1,0,0,1,0|2,0,0]=4 153 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,1,0,0,1,0|2,0,0]=4 154 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,1,0,0,1,0|2,0,0]=4 155 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,1,0,0,1,0|2,0,0]=4 156 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,1,0,0,1,0|2,0,0]=4 157 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,1,0,0,1,0|2,0,0]=4 158 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,1,0,0,1,0|1,0,1]=4 159 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,1,0,0,1,0|1,0,1]=4 160 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,1,0,0,1,0|1,0,0]=3 161 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,1,0,0,1,0|1,0,0]=3 162 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,1,0,0,1,0|1,0,0]=3 163 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,1,0,0,1,0|2,0,0]=4 164 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,1,0,0,1,0|2,0,0]=4 165 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,1,0,0,1,0|2,0,0]=4 166 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,1,0,0,1,0|1,0,0]=3 167 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,1,0,0,1,0|1,0,0]=3 168 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,1,0,0,1,0|1,0,0]=3 169 B9R0.1 CC(C)CCOC(=O)C=C PI-47066 [0,1,0,0,0,1|0,0,1]=3 170 B9R0.1 CC(CCOC(=O)Cl)OC PI-48462 [0,1,0,0,0,1|1,0,0]=3 171 B9R0.7 CC(C)COC(=O)C(C)Cl PI-15308 [0,1,0,0,0,1|1,0,1]=4 172 B9R0.7 CC(C)COC(=O)C(C)O PI-10845 [0,1,0,0,0,1|0,0,2]=4 173 B9R0.7 N[C@@H](CCC(C)C)C(O)=O PI-37204 [0,1,0,0,0,1|2,0,0]=4 174 B9R0.53 CC(C)CC(CC(=O)O)N PI-43912 [0,1,0,0,0,1|2,0,0]=4 175 B9R0.53 CC(C)C[C@@H](N)CC(=O)O PI-36246 [0,1,0,0,0,1|2,0,0]=4 176 B9R0.56 CC(C)(C)OCCC(=O)O PI-22867 [0,1,0,0,0,1|2,0,0]=4 177 B9R0.21 COC(=O)OCC(F)(F)F PI-44558 [0,2,0,0,0,0|2,0,0]=4 178 B9R0.23 CC(C)CC(C(=O)OC)N PI-14279 [0,2,0,0,0,0|1,0,0]=3 179 B9R0.23 CCC(=O)C(C)CN(C)C PI-49397 [0,2,0,0,0,0|2,0,0]=4 180 B9R0.23 CCC(C)C(CC(=O)O)N PI-43670 [0,2,0,0,0,0|2,0,0]=4 181 B9R0.23 N[C@@H](CC(C)C)C(OC)=O PI-25825 [0,2,0,0,0,0|1,0,0]=3 182 B9R0.42 COC(=O)CC(=O)C(C)C PI-37701 [0,2,0,0,0,0|1,0,1]=4 183 B9R0.48 CC(C)COC(=O)CC#N PI-32786 [0,2,0,0,0,0|0,0,0]=2 184 B9R0.48 CC(C)COC(=O)CC=C PI-50678 [0,2,0,0,0,0|0,0,0]=2 185 B9R0.64 CC(=CCC(C)(C)C=O)C PI-40149 [0,2,0,0,0,0|2,0,0]=4 186 B9R0.39 CC(C)CC(C(=O)O)NC PI-43733 [0,2,0,0,0,0|2,0,0]=4 187 B7R1.2 C1C(=O)COC1=O PI-17979 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.2 C1C(CNC1=O)N PI-35851 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.2 C1C(COC1=O)O PI-28663 [1,0,0,1,0,0|1,0,0]=3 190 B7R1.2 CC1COC(=O)N1 PI-35869 [1,0,0,1,0,0|1,0,0]=3 191 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [1,0,0,1,0,0|1,0,0]=3 193 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [1,0,0,1,0,0|1,0,0]=3 194 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [1,0,0,1,0,0|1,0,0]=3 195 B7R1.2 O=C1OCC(O)C1 PI-12958 [1,0,0,1,0,0|1,0,0]=3 196 B7R1.2 OC1CC(=O)NC1 PI-39044 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [1,0,0,1,0,0|1,0,0]=3 200 B7R1.3 BrC1CCCOC1 PI-35181 [1,0,0,1,0,0|1,0,1]=4 201 B7R1.3 C1CC(=O)COC1 PI-39263 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.3 C1CCC(=CC1)Cl PI-46532 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.3 C1CCNC(=O)C1 PI-40996 [1,0,0,1,0,0|1,0,0]=3 204 B7R1.3 C1CNCCC1=O PI-43209 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.3 C1COC(=O)C=C1 PI-47083 [1,0,0,1,0,0|0,0,2]=4 206 B7R1.3 C1COCCC1=O PI-47224 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.3 CC1=CCCCC1 PI-42686 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.3 C[C@H]1COCCN1 PI-38135 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.3 O1CCCC(C1)O PI-42688 [1,0,0,1,0,0|1,0,1]=4 210 B7R1.3 O=C1CCCCO1 PI-37295 [1,0,0,1,0,0|0,0,0]=2 211 B7R1.3 O=C1CCCNC1 PI-35479 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.3 O=C1CCNCC1 PI-12489 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.3 O=C1CCNCC1 PI-37237 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.3 O=C1CCOCC1 PI-13776 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.3 O=C1CCSCC1 PI-40196 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.3 O=C1COCCN1 PI-38277 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.3 O=C1COCCO1 PI-44056 [1,0,0,1,0,0|1,0,0]=3 218 B7R1.3 O=C1NCCNC1 PI-31800 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.10 O=C1CC(OC)C1 PI-46660 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.14 O=S1(=O)CCCO1 PI-32116 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.18 C1CC(C1)C(=O)O PI-16540 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.18 ClC(=O)C1CCC1 PI-13205 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.20 OC(=O)CC1CC1 PI-13559 [1,0,0,1,0,0|2,0,0]=4 224 B9R1.35 CC(=O)N1CC[C@@H](C1)N PI-40973 [0,0,0,1,0,1|2,0,0]=4 225 B9R1.35 CC(=O)N1CC[C@H](C1)N PI-40974 [0,0,0,1,0,1|2,0,0]=4 226 B9R1.35 CC(C)C1COC(=O)N1 PI-10341 [0,0,0,1,0,1|1,0,0]=3 227 B9R1.35 CC(C)C1COC(=O)N1 PI-10342 [0,0,0,1,0,1|1,0,0]=3 228 B9R1.35 CC(C)C1COC(=S)N1 PI-16643 [0,0,0,1,0,1|1,1,0]=4 229 B9R1.35 CC(C)C1COC(=S)N1 PI-42032 [0,0,0,1,0,1|1,1,0]=4 230 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [0,0,0,1,0,1|2,0,0]=4 231 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [0,0,0,1,0,1|2,0,0]=4 232 B9R1.53 CC(=O)OC1CC(=O)N1 PI-24294 [0,0,0,1,0,1|1,0,1]=4 233 B9R1.66 O=C1CC(C)(C)CCC1 PI-42382 [0,0,0,1,0,1|1,0,0]=3 234 B9R1.85 C1CC1COCC(=O)O PI-48044 [0,0,0,1,0,1|1,0,0]=3 235 B9R1.1 CCC1CCC(=O)CC1 PI-36670 [0,1,0,1,0,0|1,0,0]=3 236 B9R1.1 CCN1CCC(=O)CC1 PI-14889 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.1 COC1CCC(CC1)=O PI-40302 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.1 O=C1CCC(CO)CC1 PI-41917 [0,1,0,1,0,0|1,0,0]=3 239 B9R1.1 O=CC1CCC(CC1)=O PI-36571 [0,1,0,1,0,0|1,0,1]=4 240 B9R1.10 O=C1CCC(F)(F)CC1 PI-37161 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.10 O=C1COC(OC1)(C)C PI-35873 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.69 O=C1C(C)CN(C)CC1 PI-41312 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.80 C=CC(=O)OCC1CO1 PI-19043 [0,1,0,1,0,0|1,0,1]=4 244 B9R1.82 COC(=O)C1CC(C1)O PI-45752 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.82 O=C([C@H]1C[C@@H](N)C1)OC PI-41849 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.84 C1CC(C1)CCC(=O)O PI-33316 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.138 CC1(C)COC(=O)C1O PI-27920 [0,1,0,1,0,0|0,0,0]=2 248 B9R1.138 CC1(COC(=O)C1O)C PI-18732 [0,1,0,1,0,0|0,0,0]=2 249 B9R1.138 O=C1OCC(C)(C)[C@@H]1O PI-27686 [0,1,0,1,0,0|0,0,0]=2 250 B9R1.38 CC1(CC(=O)OC1=C)C PI-27827 [0,1,0,1,0,0|0,0,1]=3 251 B9R1.112 C1CC1CC(C(=O)O)N PI-43446 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.112 N[C@H](C(=O)O)CC1CC1 PI-21863 [0,1,0,1,0,0|2,0,0]=4 253 B5R0.5 CC(=C)C(=O)C PI-41913 [0,0,0,0,2,0|0,0,2]=4 254 B5R0.5 CC(C(=O)C)Br PI-35002 [0,0,0,0,2,0|1,0,0]=3 255 B5R0.5 CC(C(=O)C)S PI-48502 [0,0,0,0,2,0|1,0,0]=3 256 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [0,0,0,0,2,0|2,0,0]=4 257 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [0,0,0,0,2,0|2,0,0]=4 258 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [0,0,0,0,2,0|2,0,0]=4 259 B5R0.5 CC(C(=O)N)C PI-28643 [0,0,0,0,2,0|1,0,0]=3 260 B5R0.5 CC(C(=O)N)N PI-16292 [0,0,0,0,2,0|2,0,0]=4 261 B5R0.5 CC(C(=O)N)N PI-42205 [0,0,0,0,2,0|2,0,0]=4 262 B5R0.5 CC(C(=O)O)Br PI-47030 [0,0,0,0,2,0|2,0,0]=4 263 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,0,0,0,2,0|2,0,0]=4 264 B5R0.5 CC(C(=O)O)F PI-40363 [0,0,0,0,2,0|2,0,0]=4 265 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,0,0,0,2,0|2,0,0]=4 266 B5R0.5 CN(C)C(=O)N PI-50675 [0,0,0,0,2,0|2,0,0]=4 267 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,0,0,0,2,0|2,0,0]=4 268 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,0,0,0,2,0|2,0,0]=4 269 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,0,0,0,2,0|2,0,0]=4