0 B7R0.4 CC(C)CCCCO D94723 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CC(C)NCCCO H11834 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 CCCCC[C@H](C)N D90921 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CCCCC[C@H](C)O D83253 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CCCCOC(C)C D93400 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 CN(C)CCCC#N AC1843 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 CN(C)CCCCN 76925 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 CNCCCN(C)C D94649 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.4 CC(C)CCCBr O10389 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.4 CC(C)CCCO F20439 [1,0,0,0,0,0|0,0,2]=3 10 B6R0.4 CC(C)NCCCl 20398 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.4 CC(C)NCCO D78491 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 CCOCC(C)C D93520 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CN(C)CCCBr 25428 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CN(C)CCCCl 23626 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 CN(C)CCCCl AC7814 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CN(C)CCCS D93440 [1,0,0,0,0,0|1,1,1]=4 17 B6R0.4 CN(C)\C=C\C=O F17473 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 CNCCN(C)C 20029 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 CNCCN(C)C 24589 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.4 COCCN(C)C A11162 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.4 C[C@H](Br)CCCBr F14613 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 C[C@H](O)CCCO 22874 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.6 C=CCCCCBr F14895 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.6 C=CCCCCCl N11935 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.6 C=CCCCCO 35574 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.6 C=COCCCN 75654 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.6 CCCC=CC=O D78252 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.6 CCCCCCI F20355 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 CCCCCCN F19564 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.6 CCCCCNC D91584 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.6 CCCCN=C=S D91107 [1,0,0,0,0,0|1,1,1]=4 32 B6R0.6 CCOCCCCl D95770 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 CCOCCCO D95933 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.6 COCCOCCl H11303 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.6 O=C=NCCCCl D89529 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.6 O=CCCCCCl C10094 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.6 O=CCCCCO F19841 [1,0,0,0,0,0|2,0,0]=3 38 B8R0.7 CC(C)CCCCCO A10851 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.7 CC(C)NCCCCO F10470 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.9 CN(C)CCN(C)C=O 60064 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.21 CC(C)(S)CCOC=O D70907 [0,1,0,0,0,0|0,0,0]=1 42 B8R0.21 C[Si](C)(C)CCOCCl 75285 [0,1,0,0,0,0|1,1,1]=4 43 B8R0.28 CC(=O)CCC=C(C)C D77716 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.28 CC(=O)CCCC(=O)O TD8115 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.28 CC(=O)CCCC(C)C D81757 [0,1,0,0,0,0|1,0,0]=2 46 B8R0.28 CC(=O)CCOC(C)=O D84229 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.28 CC(=O)OCCN(C)C D88355 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.28 CC(=O)OCOC(C)=O C16112 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.28 CC(C)COCC(=O)O D79193 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.28 CN(C)CCCC(=O)O F14882 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.28 CN(C)CCSC(=N)N D89694 [0,1,0,0,0,0|2,1,0]=4 52 B8R0.28 CN(C)C\C=C\C(=O)O 23615 [0,1,0,0,0,0|2,0,1]=4 53 B8R1.4 CC1=CC(=O)CCC1 S10448 [0,0,0,1,0,0|1,0,2]=4 54 B8R1.4 CC1CC(O)CCO1 32162 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.4 CC1CCCC(N)C1 33432 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.4 CN1CCCC(=O)C1 25967 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.4 CN1CCNC(=O)C1 23552 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.4 CN1CCOC(=O)C1 70849 [0,0,0,1,0,0|1,0,0]=2 59 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [0,0,0,1,0,0|1,0,0]=2 61 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.4 C[C@H]1COCC(=O)N1 88852 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.4 C[C@H]1COCC(=O)N1 88853 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.4 C[C@H]1C[C@@H](O)CCO1 D78943 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.4 N[C@H]1CCNC(=O)C1 28187 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.4 N[C@H]1CCNC(=O)C1 62308 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.4 O=C1CCCC(=O)C1 70018 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.4 O=C1CCNC(=O)C1 65248 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.7 CC(C)[C@@H]1CCCN1 AR1076 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.19 CC1(C)CCC=[N+]1[O-] 60456 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.19 CC1(C)CCCC1=O F16056 [0,0,0,1,0,0|1,0,0]=2 74 B8R1.19 CC1(C)CCC[C@@H]1O D79629 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.19 CC1(C)CCOC1=O 20702 [0,0,0,1,0,0|0,0,0]=1 76 B8R1.22 C[C@H]1CCCNCC1 72644 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.72 CC1(C)CCCNC1 52404 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.72 CC1(C)CCNCC1 61353 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.72 CC1(C)CCNCC1 AC8379 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.72 CC1(N)CCOCC1 SC1105 [0,0,0,1,0,0|2,0,1]=4 81 B5R0.1 C=CCN(C)C D89797 [2,0,0,0,0,0|1,0,1]=4 82 B5R0.1 C=CC[C@H](C)O D92157 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.1 CC(=O)CCO 55787 [2,0,0,0,0,0|1,0,1]=4 84 B5R0.1 CC(C)=CC=O 23180 [2,0,0,0,0,0|0,0,2]=4 85 B5R0.1 CC(C)=CCO F20316 [2,0,0,0,0,0|0,0,2]=4 86 B5R0.1 CC(C)CC#N 30285 [2,0,0,0,0,0|1,0,1]=4 87 B5R0.1 CC(C)CNN 86152 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.1 CC(C)CON H10571 [2,0,0,0,0,0|1,0,0]=3 89 B5R0.1 CCC[C@H](C)N 28967 [2,0,0,0,0,0|1,0,1]=4 90 B5R0.1 CCC[C@H](C)O RB3003 [2,0,0,0,0,0|1,0,1]=4 91 B5R0.1 CCC[C@H](C)O T72186 [2,0,0,0,0,0|1,0,1]=4 92 B5R0.1 CCNC(C)C D77967 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.1 CN(C)CC=O O10521 [2,0,0,0,0,0|1,0,0]=3 94 B5R0.1 CN(C)CCBr O10701 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.1 CN(C)CCCl D77997 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.1 CN(C)CCN S12293 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.1 CN(C)CCS 35911 [2,0,0,0,0,0|1,1,0]=4 98 B5R0.1 COC[C@H](C)O 35103 [2,0,0,0,0,0|1,0,1]=4 99 B5R0.1 COC[C@H](C)O O10158 [2,0,0,0,0,0|1,0,1]=4 100 B5R0.1 C[C@H](Cl)CCCl D89632 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.1 C[C@H](N)CCO 36141 [2,0,0,0,0,0|1,0,0]=3 102 B5R0.1 C[C@H](N)CCO 36142 [2,0,0,0,0,0|1,0,0]=3 103 B5R0.1 C[C@H](N)CCO F11725 [2,0,0,0,0,0|1,0,0]=3 104 B5R0.1 C[C@H](O)CCO 55765 [2,0,0,0,0,0|1,0,0]=3 105 B5R0.1 C[C@H](O)CCO O10183 [2,0,0,0,0,0|1,0,0]=3 106 B5R0.1 C[NH2+]CC(C)C D91375 [2,0,0,0,0,0|1,0,1]=4 107 B5R0.2 C#CCCCC 75209 [2,0,0,0,0,0|1,0,1]=4 108 B5R0.2 C=CCCCBr 78391 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.2 C=CCCCCl O11411 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.2 C=CCCCN 68255 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.2 C=CCCCN 86153 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.2 C=CCCCO 76184 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.2 C=COCCO D78209 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.2 CCCCNN F17594 [2,0,0,0,0,0|2,0,0]=4 115 B5R0.2 CCCCON H11431 [2,0,0,0,0,0|1,0,0]=3 116 B5R0.2 CC\C=C\C=O 11553 [2,0,0,0,0,0|0,0,2]=4 117 B5R0.2 CNCCOC D70346 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.2 COCCCBr F11235 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.2 COCCCCl H11766 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.2 COCCCN D81053 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.2 COCCOC D81126 [2,0,0,0,0,0|1,0,1]=4 122 B5R0.2 COCCOC D83907 [2,0,0,0,0,0|1,0,1]=4 123 B5R0.2 COCCOC F16635 [2,0,0,0,0,0|1,0,1]=4 124 B5R0.2 COCCON D82747 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.2 C\C=C/CCC D90857 [2,0,0,0,0,0|1,0,1]=4 126 B5R0.2 N#CCOC=O D95257 [2,0,0,0,0,0|1,0,1]=4 127 B7R0.2 CC(C)C[C@H](N)CO 34445 [1,1,0,0,0,0|0,0,2]=4 128 B7R0.2 CC(C)C[C@H](N)CO 39403 [1,1,0,0,0,0|0,0,2]=4 129 B7R0.2 CC(C)C[C@H](N)CO A10467 [1,1,0,0,0,0|0,0,2]=4 130 B7R0.2 COC(=O)CC(C)C 79108 [1,1,0,0,0,0|0,0,2]=4 131 B7R0.3 C=CCC[C@H](Br)CBr T70912 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.3 COC(=O)CCC=O 63110 [1,1,0,0,0,0|1,0,1]=4 133 B7R0.5 CC(C)[C@@H](N)CCO 29776 [1,1,0,0,0,0|0,0,2]=4 134 B7R0.6 C=C(C)CCC(=O)O 80208 [1,1,0,0,0,0|0,0,2]=4 135 B7R0.6 C=C(C)COC(C)=O D88456 [1,1,0,0,0,0|0,0,2]=4 136 B7R0.6 CC(=O)CCC(=O)O D70802 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.6 CC(=O)CCC(=O)[O-] H10799 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.6 CC(=O)CCC(C)=O D71099 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.6 CC(=O)CCN(C)C D82201 [1,1,0,0,0,0|1,0,0]=3 140 B7R0.6 CC(=O)OCC(F)F F20444 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.6 CC(C)CCB(O)O D70604 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.6 CC(C)CCC(=O)O 28835 [1,1,0,0,0,0|0,0,0]=2 143 B7R0.6 CC(C)CC[C@H](C)O D91520 [1,1,0,0,0,0|0,0,2]=4 144 B7R0.6 CC(C)COC(=S)[S-] D97186 [1,1,0,0,0,0|0,1,0]=3 145 B7R0.6 CC(C)\C=C\C(=O)O D91297 [1,1,0,0,0,0|0,0,2]=4 146 B7R0.6 CN(C)CCC(=O)O 30383 [1,1,0,0,0,0|1,0,0]=3 147 B7R0.6 CN(C)CCC(=O)O 35949 [1,1,0,0,0,0|1,0,0]=3 148 B7R0.6 C[S+](C)CCC(=O)O 74954 [1,1,0,0,0,0|1,0,0]=3 149 B7R0.8 C=CCC[Si](C)(C)C D93230 [1,1,0,0,0,0|1,1,0]=4 150 B7R0.8 C=CCNC(C)(C)C D88524 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.8 CCCCC(C)(C)O D91354 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.8 O=CCCC(F)(F)F F20565 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.8 O=COCC(F)(F)F H10802 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.1 C=CCCCCCBr 34943 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.1 C=CCCCCNC C75624 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.1 C=CCOCCCC D88441 [1,1,0,0,0,0|1,0,0]=3 157 B7R0.1 CCCCOCCCl D89363 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.1 CCCC\C=C\C=O 39424 [1,1,0,0,0,0|1,0,0]=3 159 B9R0.53 CC(=O)CC(=O)CC(C)C D91362 [0,2,0,0,0,0|1,0,1]=4 160 B9R0.53 CC(=O)C[C@@H](C)CC(C)C D95694 [0,2,0,0,0,0|1,0,0]=3 161 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52004 [0,2,0,0,0,0|1,0,0]=3 162 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52005 [0,2,0,0,0,0|1,0,0]=3 163 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52006 [0,2,0,0,0,0|1,0,0]=3 164 B9R0.1 C=CC(=O)OCCN(C)C D78266 [0,2,0,0,0,0|1,0,0]=3 165 B9R0.1 CC(C)=CCC[C@H](C)C=O D89853 [0,2,0,0,0,0|1,0,1]=4 166 B9R0.1 COC(=O)\C=C\CC(C)C W11675 [0,2,0,0,0,0|1,0,1]=4 167 B9R0.48 CCOC(=O)CCC(C)C D81903 [0,2,0,0,0,0|1,0,1]=4 168 B9R0.55 CC(=O)NCCCN(C)C AC5885 [0,2,0,0,0,0|2,0,0]=4 169 B9R0.55 CN(C)CCCCC(=O)O 29149 [0,2,0,0,0,0|2,0,0]=4 170 B9R0.55 CN(C)CCCCC(=O)O 31841 [0,2,0,0,0,0|2,0,0]=4 171 B9R0.7 CC(C)CC[C@H](N)C(=O)O 35603 [0,2,0,0,0,0|1,0,0]=3 172 B9R0.7 CC(C)CC[C@H](N)C(=O)O F11532 [0,2,0,0,0,0|1,0,0]=3 173 B9R0.56 CC(=O)OCC[N+](C)(C)C D81773 [0,2,0,0,0,0|1,0,0]=3 174 B9R0.56 CC(=O)OCC[N+](C)(C)C D88210 [0,2,0,0,0,0|1,0,0]=3 175 B9R0.56 CC(=O)SCC[N+](C)(C)C C93437 [0,2,0,0,0,0|1,1,0]=4 176 B9R0.56 C[N+](C)(C)CCCC(=O)O D83216 [0,2,0,0,0,0|2,0,0]=4 177 B7R1.2 CC1=CC(=O)CC1 H10654 [1,0,0,1,0,0|0,0,2]=4 178 B7R1.2 CC1COS(=O)O1 D91602 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.2 C[C@@H]1CNC(=O)C1 P10078 [1,0,0,1,0,0|1,0,0]=3 180 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [1,0,0,1,0,0|0,0,0]=2 181 B7R1.2 C[C@H]1CCC(=O)N1 D72848 [1,0,0,1,0,0|1,0,0]=3 182 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [1,0,0,1,0,0|1,0,0]=3 183 B7R1.2 C[C@H]1COC(=O)O1 28658 [1,0,0,1,0,0|1,0,0]=3 184 B7R1.2 N[C@@H]1CNC(=O)C1 38799 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.2 N[C@@H]1CNC(=O)C1 SC5061 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.2 N[C@@H]1COC(=O)C1 FD1172 [1,0,0,1,0,0|1,0,0]=3 187 B7R1.2 O=C1CCC(=O)C1 23085 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.2 O=C1COC(=O)C1 T72521 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.2 O=C1C[C@H](O)CN1 26280 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.2 O=C1C[C@H](O)CN1 62393 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.2 O=C1C[C@H](O)CN1 62394 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.2 O=C1C[C@H](O)CO1 H11711 [1,0,0,1,0,0|1,0,0]=3 193 B7R1.2 O=C1OC[C@H](Cl)O1 C13865 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.2 O=C1OC[C@H](F)O1 FD2018 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.3 BrC1CCOCC1 34656 [1,0,0,1,0,0|1,0,1]=4 196 B7R1.3 CN1CCOCC1 AB7556 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.3 C[C@H]1CCCNC1 79119 [1,0,0,1,0,0|1,0,1]=4 198 B7R1.3 C[C@H]1CCCNC1 N10739 [1,0,0,1,0,0|1,0,1]=4 199 B7R1.3 ClC1CCOCC1 F17652 [1,0,0,1,0,0|1,0,1]=4 200 B7R1.3 IC1CCOCC1 25900 [1,0,0,1,0,0|1,0,1]=4 201 B7R1.3 NC1CCOCC1 66544 [1,0,0,1,0,0|1,0,1]=4 202 B7R1.3 NC1CCOCC1 83442 [1,0,0,1,0,0|1,0,1]=4 203 B7R1.3 NC1CCOCC1 D95622 [1,0,0,1,0,0|1,0,1]=4 204 B7R1.3 OC1CCOCC1 67293 [1,0,0,1,0,0|1,0,1]=4 205 B7R1.3 O[C@@H]1CC=CCC1 D83542 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.7 C=CCC[C@H]1CO1 F17137 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.14 CC1(C)CCNC1 AB7085 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.23 CC1(C)C[C@@H]1C#N 39301 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.1 O=CC1CCCC1 H11353 [1,0,0,1,0,0|1,0,0]=3 210 B7R1.1 O=CN1CCCC1 D83491 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.1 O=C[C@H]1CCOC1 I10170 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.1 O=NN1CCCC1 D82025 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.4 C=C1CCOC1=O FD18014 [1,0,0,1,0,0|0,0,2]=4 214 B7R1.4 CN1CCCC1=O D78116 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.4 CN1CCOC1=O 70761 [1,0,0,1,0,0|1,0,0]=3 216 B7R1.4 C[C@@H]1OCCC1=O O10840 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.4 C[C@@H]1SCCC1=O AC7518 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.4 C[C@H]1CCCC1=O 29606 [1,0,0,1,0,0|1,0,0]=3 219 B7R1.4 C[C@H]1CCOC1=O D70164 [1,0,0,1,0,0|0,0,0]=2 220 B7R1.4 N[C@H]1CCNC1=O 51275 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.4 N[C@H]1CCNC1=O F31053 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.4 N[C@H]1CCOC1=O 28853 [1,0,0,1,0,0|1,0,0]=3 223 B7R1.4 N[C@H]1CCOC1=O F14759 [1,0,0,1,0,0|1,0,0]=3 224 B7R1.4 N[C@H]1CCOC1=O FD1139 [1,0,0,1,0,0|1,0,0]=3 225 B7R1.4 N[C@H]1CCOC1=O FD1142 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.4 N[C@H]1CCOC1=O W12226 [1,0,0,1,0,0|1,0,0]=3 227 B7R1.4 N[C@H]1CCSC1=O F17227 [1,0,0,1,0,0|1,1,0]=4 228 B7R1.4 O=C1CCC[C@@H]1Cl F10995 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.4 O=C1NCC[C@@H]1O 25307 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.4 O=C1NCC[C@@H]1O 27245 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.4 O=C1NCC[C@@H]1O 68731 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.4 O=C1OCC[C@@H]1Br H10671 [1,0,0,1,0,0|1,0,0]=3 233 B7R1.4 O=C1OCC[C@@H]1O A12215 [1,0,0,1,0,0|1,0,0]=3 234 B7R1.4 O=C1OCC[C@@H]1O T72635 [1,0,0,1,0,0|1,0,0]=3 235 B9R1.34 CC1CC(=O)CC(=O)C1 76314 [0,1,0,1,0,0|1,0,1]=4 236 B9R1.34 CC1CC(=O)CC(C)C1 D89827 [0,1,0,1,0,0|1,0,0]=3 237 B9R1.34 CC1CC(=O)OC(=O)C1 D79206 [0,1,0,1,0,0|0,0,1]=3 238 B9R1.34 CN1CC(=O)OC(=O)C1 D93073 [0,1,0,1,0,0|1,0,1]=4 239 B9R1.38 CC1(C)CC(=O)OC1=O O10903 [0,1,0,1,0,0|0,0,1]=3 240 B9R1.41 CC(=O)[C@@H]1CCOC1=O S12358 [0,1,0,1,0,0|1,0,1]=4 241 B9R1.66 CC1(C)CC(=O)CCN1 90148 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.66 CC1(C)CC(=O)CCO1 58123 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.66 CC1(C)CCCC(=O)C1 F14897 [0,1,0,1,0,0|1,0,0]=3 244 B9R1.66 CC1(C)COCC(=O)N1 AC2025 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.66 C[C@]1(O)CCOC(=O)C1 C76125 [0,1,0,1,0,0|0,0,0]=2 246 B9R1.1 CN1CCN(C=O)CC1 V10023 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.49 CN1CCCC(=O)CC1 34283 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.49 CN1CCNC(=O)CC1 64338 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.118 CC1(CN)CCOCC1 65992 [0,1,0,1,0,0|1,0,1]=4 250 B9R1.6 CC(C)[C@@H]1COCCN1 F17610 [0,1,0,1,0,0|1,0,1]=4 251 B9R1.6 CC(C)[C@@H]1COCCN1 FD6010 [0,1,0,1,0,0|1,0,1]=4 252 B9R1.6 CC(C)[C@@H]1COCCN1 FD6025 [0,1,0,1,0,0|1,0,1]=4 253 B9R1.40 CC1(C)CCCCC1=O 25898 [0,1,0,1,0,0|1,0,0]=3 254 B9R1.40 CC1(C)CNCCC1=O 84109 [0,1,0,1,0,0|1,0,0]=3 255 B9R1.40 CC1(C)CNCCC1=O FD10497 [0,1,0,1,0,0|1,0,0]=3 256 B9R1.40 CC1(C)NCCNC1=O 37871 [0,1,0,1,0,0|1,0,0]=3 257 B9R1.35 CC(=O)N1CC[C@H](N)C1 30699 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3001 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3002 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3003 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.35 CC(C)[C@@H]1CNC(=O)C1 P19175 [0,1,0,1,0,0|1,0,0]=3 262 B9R1.35 CC(C)[C@@H]1COC(=O)N1 33734 [0,1,0,1,0,0|0,0,0]=2 263 B9R1.35 CC(C)[C@@H]1COC(=O)N1 TD8068 [0,1,0,1,0,0|0,0,0]=2 264 B9R1.35 CC(C)[C@@H]1COC(=O)N1 W10689 [0,1,0,1,0,0|0,0,0]=2 265 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 63024 [0,1,0,1,0,0|0,2,0]=4 266 B9R1.35 CN1CC[C@H](C(=O)O)C1 25139 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.35 CN1CC[C@H](C(=O)O)C1 28355 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.35 CN1CC[C@H](C(=O)O)C1 38444 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.35 NC1CCC(C(=O)O)C1 31351 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.35 NC1CCC(C(=O)O)C1 38978 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 73672 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 F16405 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.69 CC1CCC(=O)CC1C 90794 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.69 CN1CC[C@H](N)CC1=O 37085 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.10 CC1(C)C=CC(=O)CC1 CL3492 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.133 CC1(C)OC[C@@H](C=O)O1 77520 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.138 CC1(C)COC(=O)C1=O C72205 [0,1,0,1,0,0|2,0,0]=4 278 B9R2.109 O=C1CCCC2OC12 AB10163 [0,0,0,2,0,0|2,0,0]=4