0 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.5 CC(C)OC(=O)OCI K62369 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.5 CC(C)OC(=O)\C=C/I P67231 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.5 CCOC(=O)CC(N)=S E6802 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.5 COCC(=O)OC(C)C P65707 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.2 CC(C)C[C@@H](N)CO L41620 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 CC(C)C[C@H](N)CO A68907 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.2 CC(C)NC(=O)CCl P40378 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.2 CC(C)OC(=O)CO I38145 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.2 CCC(=O)CC(C)=O H69646 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.2 CCC(=O)OC(C)=O A41227 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.2 COC(=O)C=C(C)C M41461 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.2 COC(=O)CC(=O)Cl M40174 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.2 COC(=O)CC(=O)O M37882 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.2 COC(=O)CC(=O)[O-] P67199 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.2 COC(=O)\C=C(\C)N M68908 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.4 CC(C)CCCCBr B43898 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 CCCCC[C@H](C)O H43947 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.7 CC#CC(=O)OCC E36835 [1,0,0,0,0,0|0,0,2]=3 27 B7R0.7 CCNC(=O)NCC D40424 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.7 CCOC(=O)CCBr E39188 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.7 CCOC(=O)CCI E41273 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.7 CCOC(=O)CCO E36682 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.7 CCOC(=O)CNC S69399 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.7 CCOC(=O)CNN E67459 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.7 CCOC(=O)CSC E40386 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.7 CCOC(=O)OCCl C38646 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.7 CCOC(=O)\C=C\I E41181 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.7 COCC(=O)COC D40391 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.7 O=C(CCCl)CCCl D67616 [1,0,0,0,0,0|3,0,0]=4 39 B9R0.4 C=CCOC(=O)CC(C)=O A39287 [0,1,0,0,0,0|1,0,2]=4 40 B9R0.4 CC(=O)CC(=O)NCCO H41517 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [0,1,0,0,0,0|1,0,1]=3 42 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O E67659 [0,1,0,0,0,0|1,0,1]=3 43 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O E69127 [0,1,0,0,0,0|1,0,1]=3 44 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [0,1,0,0,0,0|1,0,1]=3 45 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [0,1,0,0,0,0|1,0,0]=2 46 B9R0.6 CCOC(=O)[C@H](C)[N+](=O)[O-] E62825 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [0,1,0,0,0,0|0,0,0]=1 48 B9R0.23 CC(C)OC(=O)C(=O)CBr P65399 [0,1,0,0,0,0|3,0,0]=4 49 B9R0.23 CC(C)OC(=O)[C@@H](N)CO S60921 [0,1,0,0,0,0|3,0,0]=4 50 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,1,0,0,0,0|1,0,1]=3 52 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [0,1,0,0,0,0|1,0,1]=3 53 B9R0.34 CCOC(=O)CC(=O)NN E40373 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [0,1,0,0,0,0|1,0,0]=2 55 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [0,1,0,0,0,0|1,0,0]=2 56 B9R0.34 CCOC(=O)NC(=O)CCl E62948 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.44 CC(C)(C)OC(=O)CCBr B43863 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.44 CC(C)(C)OC(=O)CCN B43925 [0,1,0,0,0,0|3,0,0]=4 59 B9R0.44 CC(C)(C)OC(=O)CCN B67888 [0,1,0,0,0,0|3,0,0]=4 60 B9R0.44 CCNC(=O)OC(C)(C)C B43922 [0,1,0,0,0,0|2,0,0]=3 61 B9R0.44 CCOC(=O)CC(C)(C)N E38783 [0,1,0,0,0,0|0,0,0]=1 62 B9R0.44 CCOC(=O)CC(C)(C)O E43891 [0,1,0,0,0,0|0,0,0]=1 63 B9R0.44 CCOC(=O)CC(F)(F)F E41180 [0,1,0,0,0,0|2,0,0]=3 64 B9R0.44 CCOC(=O)C[Si](C)(C)C E43949 [0,1,0,0,0,0|0,1,0]=2 65 B9R0.44 CNCC(=O)OC(C)(C)C B43929 [0,1,0,0,0,0|3,0,0]=4 66 B9R0.44 CNNC(=O)OC(C)(C)C M37037 [0,1,0,0,0,0|3,0,0]=4 67 B9R0.44 CONC(=O)OC(C)(C)C M38869 [0,1,0,0,0,0|3,0,0]=4 68 B9R0.53 CC(C)OC(=O)OC(C)C D38665 [0,1,0,0,0,0|1,0,0]=2 69 B9R0.53 CC(C)OC(=O)O[C@H](C)Cl C39199 [0,1,0,0,0,0|1,0,0]=2 70 B9R0.53 CC(Cl)OC(=O)OC(C)Cl B41230 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.38 CC1(C)CC(=O)OC1=O D67953 [0,0,0,1,0,0|1,0,1]=3 74 B9R1.41 CC(=O)[C@@H]1CCOC1=O A60775 [0,0,0,1,0,0|1,0,1]=3 75 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,0,0,1,0,0|2,0,0]=3 79 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,0,0,1,0,0|1,0,0]=2 81 B9R1.66 CC1(C)CCC[C@H](N)C1 D59653 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.75 CCOC(=O)CC1CC1 E29877 [0,0,0,1,0,0|0,0,0]=1 83 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [0,0,0,1,0,0|2,0,1]=4 84 B7R0.5 CC(C)C(=O)CC#N M43378 [0,0,0,0,1,0|2,0,1]=4 85 B7R0.5 CC(C)C(=O)OCCl C24559 [0,0,0,0,1,0|1,0,0]=2 86 B7R0.5 CCOC(=O)C(=O)O E36772 [0,0,0,0,1,0|2,0,1]=4 87 B7R0.5 CCOC(=O)C(C)=O E60800 [0,0,0,0,1,0|1,0,1]=3 88 B7R0.5 CCOC(=O)C(N)=O E60589 [0,0,0,0,1,0|2,0,1]=4 89 B7R0.5 CCOC(=O)C(N)=S E15645 [0,0,0,0,1,0|2,0,1]=4 90 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,0,0,0,1,0|1,0,0]=2 91 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,0,0,0,1,0|1,0,0]=2 92 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,0,0,0,1,0|1,0,0]=2 93 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,0,0,0,1,0|1,0,0]=2 94 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,0,0,0,0,1|0,0,2]=3 95 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,0,0,0,0,1|1,0,1]=3 96 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,0,0,0,0,1|1,0,1]=3 97 B9R0.48 CCOC(=O)\C=C\N(C)C E16630 [0,0,0,0,0,1|1,0,1]=3 98 B9R0.48 CCOC(=O)\C=C\N(C)C E68121 [0,0,0,0,0,1|1,0,1]=3 99 B6R0.1 C#CCC(=O)OC M41116 [2,0,0,0,0,0|0,0,2]=4 100 B6R0.1 CC#CC(=O)OC M62298 [2,0,0,0,0,0|0,0,2]=4 101 B6R0.1 CC=CC(=O)CC H41457 [2,0,0,0,0,0|0,0,2]=4 102 B6R0.1 CCC[C@@H](Cl)CC C63946 [2,0,0,0,0,0|1,0,1]=4 103 B6R0.1 CCOC(=O)C#N E15572 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.1 CCOC(=O)CN G69291 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.1 CCOC(=O)CO E37817 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.1 CCOC(=O)NN E39139 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.1 CCOC(=O)OC E40254 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.1 CNC(=O)CCN A40306 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.1 COC(=O)CC#N M68915 [2,0,0,0,0,0|1,0,1]=4 110 B6R0.1 COC(=O)CCBr M39155 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.1 COC(=O)CCN M67902 [2,0,0,0,0,0|1,0,0]=3 112 B6R0.1 COC(=O)CCO M24551 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.1 COC(=O)OCCl C62332 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.2 CC(=O)NC(C)C P40402 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.2 CC(=O)O[C@H](C)Br B40231 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.2 CC(C)CB(O)O M4460 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.2 CC(C)C[C@H](C)N M43511 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.2 CN(C)CC(=O)Cl D40251 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.2 C[C@@H](N)CC(=O)O A37837 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.2 C[C@@H](N)CC(=O)O A40348 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.2 C[C@H](N)CC(=O)O A40265 [2,0,0,0,0,0|1,0,0]=3 123 B6R0.2 C[C@H](O)CC(=O)O H38871 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.4 CC(C)CCCO M67872 [2,0,0,0,0,0|1,0,1]=4 126 B6R0.6 CCC\C=C\CO H41550 [2,0,0,0,0,0|2,0,0]=4 127 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [1,1,0,0,0,0|1,0,1]=4 128 B8R0.2 COC(=O)C(N)C(C)O M41339 [1,1,0,0,0,0|1,0,0]=3 129 B8R0.2 COC(=O)[C@@H](C)C(C)=O M65039 [1,1,0,0,0,0|1,0,1]=4 130 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O M41184 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.2 COC(=O)[C@@H](N)C(C)=O M41375 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [1,1,0,0,0,0|0,0,0]=2 133 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T41338 [1,1,0,0,0,0|1,0,0]=3 134 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O M41341 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [1,1,0,0,0,0|0,0,0]=2 136 B8R0.19 CCC(=O)CC(=O)CC H43801 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.19 CCC(=O)CC(=O)OC M39036 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [1,1,0,0,0,0|1,0,0]=3 139 B8R0.19 CNC(C)=CC(=O)OC M41506 [1,1,0,0,0,0|0,0,2]=4 140 B8R0.19 COC(=O)CC(=O)CCl M61620 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.19 COC(=O)CC(=O)OC D60836 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [1,1,0,0,0,0|1,0,0]=3 143 B8R0.19 COC(=O)\C=C(/C)OC M5601 [1,1,0,0,0,0|0,0,2]=4 144 B8R0.23 C=C(C)C(=O)NC(C)C P43839 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [1,1,0,0,0,0|1,0,1]=4 146 B8R0.23 CC(C)OC(=O)[C@@H](C)N P66866 [1,1,0,0,0,0|1,0,0]=3 147 B8R0.23 CC(C)OC(=O)[C@H](C)N P39284 [1,1,0,0,0,0|1,0,0]=3 148 B8R0.24 CC(C)(C)OC(=O)CI B41529 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.24 CC(C)(C)OC(=O)CN A38454 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.24 CC(C)(C)OC(=O)CO H32095 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.24 CNC(=O)OC(C)(C)C B2974 [1,1,0,0,0,0|2,0,0]=4 152 B8R0.24 COC(=O)CC(C)(C)O M41558 [1,1,0,0,0,0|0,0,0]=2 153 B8R0.24 COC(=O)CS(C)(=O)=O M40262 [1,1,0,0,0,0|2,0,0]=4 154 B8R0.34 CCS(=O)(=O)OC(C)C P61641 [1,1,0,0,0,0|2,0,0]=4 155 B8R0.7 CN(C)CCOCCO D68347 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.1 CCOC(=O)CCC#N E63052 [1,1,0,0,0,0|0,0,1]=3 157 B8R0.1 CCOC(=O)CCCBr B69333 [1,1,0,0,0,0|0,0,0]=2 158 B8R0.1 CCOC(=O)CCCI E31893 [1,1,0,0,0,0|0,0,0]=2 159 B8R0.1 CCOC(=O)CCCN E43487 [1,1,0,0,0,0|0,0,0]=2 160 B8R0.1 CCOC(=O)CCNC E41584 [1,1,0,0,0,0|0,0,0]=2 161 B8R0.1 CCOC(=O)CCSC E39202 [1,1,0,0,0,0|0,0,0]=2 162 B8R0.1 CCOC(=O)\C=C\CBr E43399 [1,1,0,0,0,0|0,0,2]=4 163 B8R0.1 CCOCC(=O)OCC E41554 [1,1,0,0,0,0|0,0,0]=2 164 B8R0.3 C=C(CBr)C(=O)OCC E43400 [1,1,0,0,0,0|1,0,1]=4 165 B8R0.3 C=C(CO)C(=O)OCC E41470 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.3 CCOC(=O)C(=O)CBr E15776 [1,1,0,0,0,0|1,0,1]=4 167 B8R0.3 CCOC(=O)C(=O)CBr E2491 [1,1,0,0,0,0|1,0,1]=4 168 B8R0.3 CCOC(=O)C(=O)CC E67705 [1,1,0,0,0,0|0,0,1]=3 169 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [1,1,0,0,0,0|1,0,0]=3 170 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [1,1,0,0,0,0|0,0,0]=2 171 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [1,1,0,0,0,0|0,0,0]=2 172 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [1,1,0,0,0,0|1,0,0]=3 173 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [1,1,0,0,0,0|1,0,0]=3 174 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [1,1,0,0,0,0|1,0,0]=3 175 B8R0.3 CCOC(=O)[C@H](C)C#N E43380 [1,1,0,0,0,0|1,0,1]=4 176 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [1,1,0,0,0,0|1,0,0]=3 177 B8R0.22 CCCN(C=O)CCC D43905 [1,1,0,0,0,0|2,0,0]=4 178 B8R0.30 CCOP(=O)([O-])OCC E54072 [1,1,0,0,0,0|2,0,0]=4 179 B8R0.14 CC(C)(C)C(=O)OCCl P69131 [0,1,0,0,1,0|1,0,0]=3 180 B8R0.14 CC(C)(C)C(=O)OCI K62297 [0,1,0,0,1,0|1,0,0]=3 181 B10R0.26 CCOC(=O)CC(=O)C(C)C E47096 [0,1,0,0,0,1|0,0,0]=2 182 B10R0.26 CCOC(=O)CC(=O)C(F)F E43313 [0,1,0,0,0,1|2,0,0]=4 183 B10R0.108 CCOC(=O)CNC(=O)OC E41521 [0,1,0,0,0,1|1,0,1]=4 184 B10R0.109 CCOC(=O)CCC(F)(F)F E64198 [0,1,0,0,0,1|2,0,0]=4 185 B10R0.28 CC(C)(C)OC(=O)CCCBr B37479 [0,2,0,0,0,0|2,0,0]=4 186 B10R0.28 CC(C)(C)OC(=O)CCCN B38496 [0,2,0,0,0,0|2,0,0]=4 187 B10R0.28 CC(C)(C)OC(=O)CCCN B61116 [0,2,0,0,0,0|2,0,0]=4 188 B10R0.28 CC(C)(C)OC(=O)NCCCl B6380 [0,2,0,0,0,0|2,0,0]=4 189 B10R0.28 CC(C)(C)OC(=O)NCCN B46523 [0,2,0,0,0,0|2,0,0]=4 190 B10R0.28 CC(C)(C)OC(=O)NCCN N28507 [0,2,0,0,0,0|2,0,0]=4 191 B10R0.28 CCNCC(=O)OC(C)(C)C B47176 [0,2,0,0,0,0|2,0,0]=4 192 B10R0.44 COC(=O)CC(=O)CC(C)C M47097 [0,2,0,0,0,0|1,0,1]=4 193 B10R0.35 CCOC(=O)C(=O)[C@@H](Br)CC E37425 [0,2,0,0,0,0|1,0,1]=4 194 B10R0.100 CCOC(=O)[C@@H](Br)C(C)(C)Br E43809 [0,2,0,0,0,0|0,0,0]=2 195 B10R0.101 CCOC(=O)[C@@H](CC)C(C)=O E47095 [0,2,0,0,0,0|1,0,1]=4 196 B10R0.37 CC[C@@H](O)C(=O)OC(C)(C)C B47161 [0,2,0,0,0,0|2,0,0]=4 197 B10R0.2 CCCC(=O)CC(=O)OCC E47091 [0,2,0,0,0,0|1,0,1]=4 198 B10R0.2 CCC[C@H](O)CC(=O)OCC E47159 [0,2,0,0,0,0|1,0,0]=3 199 B10R0.2 CCOC(=N)CC(=O)OCC E37761 [0,2,0,0,0,0|1,0,1]=4 200 B10R0.2 CCOC(=O)CC(=O)COC E69590 [0,2,0,0,0,0|1,0,1]=4 201 B10R0.2 CCOC(=O)C[C@H](O)CC#N E67509 [0,2,0,0,0,0|1,0,0]=3 202 B10R0.7 CCOC(=O)CC(C)(C)CN D64492 [0,2,0,0,0,0|0,0,0]=2 203 B10R0.165 CC(C)OP(=O)(Cl)OC(C)C D6946 [0,2,0,0,0,0|2,0,0]=4 204 B10R0.165 CC(C)OS(=O)(=O)OC(C)C D63517 [0,2,0,0,0,0|2,0,0]=4 205 B8R1.4 CN1CCCC(=O)C1 M13651 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.4 CN1CCNC(=O)C1 M6975 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.4 CN1CCOC(=O)C1 M41260 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [1,0,0,1,0,0|1,0,0]=3 209 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [1,0,0,1,0,0|1,0,0]=3 213 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [1,0,0,1,0,0|1,0,0]=3 214 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [1,0,0,1,0,0|1,0,0]=3 215 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,1,0,0|1,0,0]=3 216 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,1,0,0|1,0,0]=3 217 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.4 O=C1CCCC(=O)C1 C38740 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.40 COC(=O)CC1CC1 M11217 [1,0,0,1,0,0|0,0,0]=2 227 B8R1.40 O=C(CCl)NC1CC1 C41221 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.51 CC1(C)CCC(=O)N1 D38848 [1,0,0,1,0,0|1,0,0]=3 229 B8R1.51 CC1(C)CCC(=O)O1 D41465 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.51 CC1(C)CNC(=O)C1 D6966 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.51 CC1(C)COC(=O)N1 D0615 [1,0,0,1,0,0|1,0,0]=3 232 B8R1.6 CCOC1CC(N)C1 E15188 [1,0,0,1,0,0|1,0,1]=4 233 B8R1.6 CCO[C@H]1C[C@@H](N)C1 E19476 [1,0,0,1,0,0|1,0,1]=4 234 B8R1.6 CCO[C@H]1C[C@H](N)C1 E15190 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.72 CC1(C)CCNCC1 D0628 [1,0,0,1,0,0|1,0,1]=4 238 B8R1.72 CC1(N)CCOCC1 M10391 [1,0,0,1,0,0|1,0,1]=4 239 B8R1.72 CC1(O)CCOCC1 M25219 [1,0,0,1,0,0|1,0,1]=4 240 B8R1.11 CC[C@H]1CCCC1=O E43799 [1,0,0,1,0,0|1,0,0]=3 241 B8R1.11 O=C1CCC[C@@H]1CO H41464 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.11 O=C1NCC[C@@H]1CO H13645 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.37 CCOC(=O)C1CC1 E41463 [1,0,0,1,0,0|0,0,0]=2 244 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [1,0,0,1,0,0|1,0,0]=3 245 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,1,1,0|1,0,0]=3 246 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,0,0,1,1,0|1,0,0]=3 247 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,0,0,1,1,0|2,0,0]=4 248 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,0,0,1,1,0|2,0,0]=4 249 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,0,0,1,1,0|2,0,0]=4 250 B8R1.5 C[C@H]1COCCC1=O M11408 [0,0,0,1,1,0|2,0,0]=4 251 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,0,0,1,1,0|2,0,0]=4 252 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,0,0,1,1,0|2,0,0]=4 253 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,0,0,1,1,0|2,0,0]=4 254 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,0,0,1,1,0|2,0,0]=4 255 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,0,0,1,1,0|2,0,0]=4 256 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,0,0,1,1,0|2,0,0]=4 257 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,0,0,1,1,0|2,0,0]=4 258 B10R1.138 CCCC(=O)OC[C@H]1CO1 G39289 [0,0,0,1,0,1|2,0,0]=4 259 B10R1.140 CCOC(=O)C1CC(=O)C1 E1322 [0,0,0,1,0,1|1,0,1]=4 260 B10R1.140 CCOC(=O)C1CC(N)C1 E46491 [0,0,0,1,0,1|1,0,0]=3 261 B10R1.140 CCOC(=O)C1CC(O)C1 SB8081 [0,0,0,1,0,1|1,0,0]=3 262 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 E13475 [0,0,0,1,0,1|1,0,0]=3 263 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 E10943 [0,0,0,1,0,1|1,0,0]=3 264 B10R1.61 CC(C)N1CCNCC1=O P46498 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.212 CCOC(=O)[C@@H](Br)C1CC1 E7311 [0,1,0,1,0,0|0,0,0]=2 266 B10R1.135 CCOC(=O)C1CC1C#N M24297 [0,1,0,1,0,0|0,0,1]=3 267 B10R1.135 CCOC(=O)C1CC1C=O E43726 [0,1,0,1,0,0|0,0,1]=3 268 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N E29920 [0,1,0,1,0,0|0,0,1]=3 269 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N E29838 [0,1,0,1,0,0|0,0,1]=3 270 B10R1.137 CCOC(=O)C=C1CCC1 E47017 [0,1,0,1,0,0|0,0,2]=4 271 B10R1.137 CCOC(=O)C=C1COC1 E1599 [0,1,0,1,0,0|0,0,2]=4 272 B10R1.149 COC(=O)[C@@H]1CCOC1=O M43315 [0,1,0,1,0,0|1,0,1]=4 273 B10R1.181 CCOC(=O)CC1(N)CC1 E17522 [0,1,0,1,0,0|0,0,0]=2 274 B10R1.65 C[Si](C)(C)[C@H]1CCNC1=O T65549 [0,1,0,1,0,0|1,1,0]=4 275 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 C60664 [0,1,0,1,0,0|1,0,1]=4 276 B10R1.329 CC1(C)CC(=O)NC(=O)C1 D16646 [0,1,0,1,0,0|1,0,1]=4 277 B10R1.329 CC1=CC(=O)CC(C)(C)C1 T60774 [0,1,0,1,0,0|1,0,1]=4 278 B10R1.373 CC(C)(C)OC(=O)C1CC1 B47087 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.373 CC(C)(C)OC(=O)N1CC1 B8345 [0,1,0,1,0,0|2,0,0]=4 280 B10R2.71 O=C1CC2CCC(C1)C2 B10791 [0,0,0,2,0,0|1,0,0]=3 281 B10R2.71 O=C1CC2CCC(C1)O2 X10656 [0,0,0,2,0,0|2,0,0]=4 282 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 A0702 [0,0,0,2,0,0|2,0,0]=4 283 B10R2.534 O=C1CCCC2(CC2)C1 S60470 [0,0,0,2,0,0|1,0,0]=3 284 B10R2.534 O=C1CCCC2(CC2)N1 A43767 [0,0,0,2,0,0|2,0,0]=4 285 B10R2.485 O=C(CC1CC1)C2CC2 D29645 [0,0,0,2,0,0|1,0,0]=3 286 B6R0.3 CC(C)C(=O)NN I0020 [1,0,0,0,1,0|2,0,0]=4 287 B6R0.3 CCC(=O)N(C)C D67412 [1,0,0,0,1,0|1,0,0]=3 288 B6R0.3 CN(C)C(=O)CBr B40249 [1,0,0,0,1,0|2,0,0]=4 289 B6R0.3 CN(C)C(=O)CN A39947 [1,0,0,0,1,0|2,0,0]=4 290 B6R0.3 CN(C)C(=O)CN A40307 [1,0,0,0,1,0|2,0,0]=4 291 B6R0.3 CN(C)C(=O)CN A61441 [1,0,0,0,1,0|2,0,0]=4 292 B6R0.3 CN(C)C(=O)CO H40267 [1,0,0,0,1,0|2,0,0]=4 293 B6R0.3 CNC(=O)[C@H](C)N A40308 [1,0,0,0,1,0|2,0,0]=4 294 B6R0.3 COC(=O)[C@@H](C)O M68913 [1,0,0,0,1,0|1,0,0]=3 295 B6R0.3 COC(=O)[C@H](C)Cl M68359 [1,0,0,0,1,0|1,0,0]=3 296 B6R0.3 COC(=O)[C@H](C)N A68085 [1,0,0,0,1,0|1,0,0]=3 297 B6R0.3 COC(=O)[C@H](C)N M68343 [1,0,0,0,1,0|1,0,0]=3 298 B6R0.3 COC(=O)[C@H](C)O M69777 [1,0,0,0,1,0|1,0,0]=3 299 B10R0.3 C=C(C)CCCC(=O)OCC E50504 [0,0,0,0,0,2|0,0,2]=4 300 B10R0.3 CCOC(=O)CCCC(C)=O E47092 [0,0,0,0,0,2|1,0,1]=4