0 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.5 CC(C)OC(=O)OCI K62369 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.5 CCOC(=O)CC(N)=S E6802 [0,0,0,0,0,0|1,1,1]=3 5 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.5 COCC(=O)OC(C)C P65707 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.2 CC(C)NC(=O)CCl P40378 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.2 CC(C)OC(=O)CO I38145 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.2 CCC(=O)CC(C)=O H69646 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.2 CCC(=O)OC(C)=O A41227 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.2 COC(=O)C=C(C)C M41461 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.2 COC(=O)CC(=O)Cl M40174 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.2 COC(=O)CC(=O)O M37882 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.2 COC(=O)CC(=O)[O-] P67199 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,0,0,0,0,0|0,0,0]=1 19 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,0,0,0,0,0|0,0,0]=1 20 B7R0.2 COC(=O)\C=C(\C)N M68908 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.4 CCCCC[C@H](C)O H43947 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.4 CCOC=CC(=O)O E41226 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.4 C[C@H](O)CNCCO H40448 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.7 CC#CC(=O)OCC E36835 [1,0,0,0,0,0|0,0,2]=3 25 B7R0.7 CCC[C@H](N)CCO A43513 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.7 CCNC(=O)NCC D40424 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.7 CCOC(=O)CCBr E39188 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.7 CCOC(=O)CCI E41273 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.7 CCOC(=O)CCO E36682 [1,0,0,0,0,0|0,0,0]=1 30 B7R0.7 CCOC(=O)CNC S69399 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.7 CCOC(=O)CNN E67459 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.7 CCOC(=O)CSC E40386 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.7 CCOC(=O)OCCl C38646 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,0,0,0,0,0|0,0,3]=4 35 B7R0.7 CCOC(=O)\C=C\I E41181 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.7 COCC(=O)COC D40391 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.7 O=C(CCCl)CCCl D67616 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.4 C=CCOC(=O)CC(C)=O A39287 [0,1,0,0,0,0|0,0,3]=4 39 B9R0.4 CC(=O)CC(=O)NCCO H41517 [0,1,0,0,0,0|1,0,2]=4 40 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [0,1,0,0,0,0|1,0,1]=3 41 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O E67659 [0,1,0,0,0,0|0,0,2]=3 42 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O E69127 [0,1,0,0,0,0|0,0,2]=3 43 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [0,1,0,0,0,0|0,0,2]=3 44 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [0,1,0,0,0,0|0,0,0]=1 45 B9R0.6 CCOC(=O)[C@H](C)[N+](=O)[O-] E62825 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [0,1,0,0,0,0|1,0,0]=2 47 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,1,0,0,0,0|1,0,2]=4 48 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,1,0,0,0,0|0,0,2]=3 49 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [0,1,0,0,0,0|0,0,2]=3 50 B9R0.34 CCOC(=O)CC(=O)NN E40373 [0,1,0,0,0,0|1,0,2]=4 51 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [0,1,0,0,0,0|0,0,0]=1 52 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [0,1,0,0,0,0|0,0,0]=1 53 B9R0.34 CCOC(=O)NC(=O)CCl E62948 [0,1,0,0,0,0|1,0,2]=4 54 B9R0.44 CCNC(=O)OC(C)(C)C B43922 [0,1,0,0,0,0|3,0,0]=4 55 B9R0.44 CCOC(=O)CC(C)(C)N E38783 [0,1,0,0,0,0|1,0,0]=2 56 B9R0.44 CCOC(=O)CC(C)(C)O E43891 [0,1,0,0,0,0|0,0,0]=1 57 B9R0.44 CCOC(=O)CC(F)(F)F E41180 [0,1,0,0,0,0|2,0,0]=3 58 B9R0.44 CCOC(=O)C[Si](C)(C)C E43949 [0,1,0,0,0,0|1,1,0]=3 59 B9R0.53 CC(C)OC(=O)OC(C)C D38665 [0,1,0,0,0,0|2,0,0]=3 60 B9R0.53 CC(C)OC(=O)O[C@H](C)Cl C39199 [0,1,0,0,0,0|2,0,0]=3 61 B9R0.53 CC(Cl)OC(=O)OC(C)Cl B41230 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,0,0,1,0,0|1,0,2]=4 63 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,0,0,1,0,0|1,0,0]=2 64 B9R1.38 CC1(C)CC(=O)OC1=O D67953 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.41 CC(=O)[C@@H]1CCOC1=O A60775 [0,0,0,1,0,0|0,0,2]=3 66 B9R1.41 O=C(O)[C@@H]1CCNC1=O X15532 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,0,0,1,0,0|1,0,2]=4 69 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,0,0,1,0,0|1,0,2]=4 70 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.75 CCOC(=O)CC1CC1 E29877 [0,0,0,1,0,0|1,0,0]=2 74 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [0,0,0,1,0,0|1,0,2]=4 75 B7R0.5 CC(C)C(=O)OCCl C24559 [0,0,0,0,1,0|2,0,0]=3 76 B7R0.5 CCOC(=O)C(=O)O E36772 [0,0,0,0,1,0|1,0,1]=3 77 B7R0.5 CCOC(=O)C(C)=O E60800 [0,0,0,0,1,0|0,0,2]=3 78 B7R0.5 CCOC(=O)C(N)=O E60589 [0,0,0,0,1,0|1,0,2]=4 79 B7R0.5 CCOC(=O)C(N)=S E15645 [0,0,0,0,1,0|1,1,1]=4 80 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,0,0,0,1,0|1,0,0]=2 81 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,0,0,0,1,0|0,0,0]=1 82 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,0,0,0,1,0|1,0,0]=2 83 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,0,0,0,1,0|0,1,0]=2 84 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,0,0,0,0,1|1,0,1]=3 85 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,0,0,0,0,1|0,0,2]=3 86 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,0,0,0,0,1|0,0,2]=3 87 B9R0.48 CCOC(=O)\C=C\N(C)C E16630 [0,0,0,0,0,1|2,0,1]=4 88 B9R0.48 CCOC(=O)\C=C\N(C)C E68121 [0,0,0,0,0,1|2,0,1]=4 89 B6R0.1 C#CCC(=O)OC M41116 [2,0,0,0,0,0|0,0,2]=4 90 B6R0.1 CC#CC(=O)OC M62298 [2,0,0,0,0,0|0,0,2]=4 91 B6R0.1 CC=CC(=O)CC H41457 [2,0,0,0,0,0|0,0,2]=4 92 B6R0.1 CCC[C@@H](Cl)CC C63946 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.1 CCOC(=O)C#N E15572 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.1 CCOC(=O)CN G69291 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.1 CCOC(=O)CO E37817 [2,0,0,0,0,0|0,0,0]=2 96 B6R0.1 CCOC(=O)NN E39139 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.1 CCOC(=O)OC E40254 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.1 CCO\C(C)=N\O E68624 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.1 CNC(=O)CCN A40306 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.1 COC(=O)CC#N M68915 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.1 COC(=O)CCBr M39155 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.1 COC(=O)CCN M67902 [2,0,0,0,0,0|1,0,0]=3 103 B6R0.1 COC(=O)CCO M24551 [2,0,0,0,0,0|0,0,0]=2 104 B6R0.1 COC(=O)OCCl C62332 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.1 CO[C@@H](C)CCO M68623 [2,0,0,0,0,0|1,0,1]=4 106 B6R0.2 CC(=O)NC(C)C P40402 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.2 CC(=O)O[C@H](C)Br B40231 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.2 C[C@@H](N)CC(=O)O A37837 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.2 C[C@@H](N)CC(=O)O A40348 [2,0,0,0,0,0|1,0,0]=3 110 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [2,0,0,0,0,0|0,0,1]=3 111 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [2,0,0,0,0,0|0,0,2]=4 112 B6R0.2 C[C@H](N)CC(=O)O A40265 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.2 C[C@H](O)CC(=O)O H38871 [2,0,0,0,0,0|0,0,0]=2 114 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [2,0,0,0,0,0|0,0,1]=3 115 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [2,0,0,0,0,0|0,0,2]=4 116 B6R0.6 CCC\C=C\CO H41550 [2,0,0,0,0,0|1,0,1]=4 117 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [1,1,0,0,0,0|1,0,1]=4 118 B8R0.2 COC(=O)C(N)C(C)O M41339 [1,1,0,0,0,0|0,0,0]=2 119 B8R0.2 COC(=O)[C@@H](C)C(=O)O M38995 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.2 COC(=O)[C@@H](C)C(C)=O M65039 [1,1,0,0,0,0|0,0,2]=4 121 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O M41184 [1,1,0,0,0,0|0,0,2]=4 122 B8R0.2 COC(=O)[C@@H](N)C(C)=O M41375 [1,1,0,0,0,0|0,0,2]=4 123 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [1,1,0,0,0,0|1,0,0]=3 124 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T41338 [1,1,0,0,0,0|0,0,0]=2 125 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O M41341 [1,1,0,0,0,0|0,0,0]=2 126 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [1,1,0,0,0,0|1,0,0]=3 127 B8R0.19 CCC(=O)CC(=O)CC H43801 [1,1,0,0,0,0|0,0,2]=4 128 B8R0.19 CCC(=O)CC(=O)OC M39036 [1,1,0,0,0,0|0,0,2]=4 129 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [1,1,0,0,0,0|1,0,0]=3 130 B8R0.19 COC(=O)CC(=O)CCl M61620 [1,1,0,0,0,0|0,0,2]=4 131 B8R0.19 COC(=O)CC(=O)OC D60836 [1,1,0,0,0,0|0,0,2]=4 132 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [1,1,0,0,0,0|0,0,0]=2 133 B8R0.19 COC(=O)\C=C(/C)OC M5601 [1,1,0,0,0,0|0,0,2]=4 134 B8R0.23 CC(C)OC(=O)[C@@H](C)N P66866 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.23 CC(C)OC(=O)[C@H](C)N P39284 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.24 COC(=O)CC(C)(C)O M41558 [1,1,0,0,0,0|0,0,0]=2 137 B8R0.24 COC(=O)CS(C)(=O)=O M40262 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.6 CCCCC[C@@H](O)CC X47206 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.7 CCCCCC[C@@H](C)O X47207 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.1 C#CCCC(=O)CCO H6251 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.1 CCOC(=O)CCC#N E63052 [1,1,0,0,0,0|0,0,1]=3 142 B8R0.1 CCOC(=O)CCCBr B69333 [1,1,0,0,0,0|0,0,0]=2 143 B8R0.1 CCOC(=O)CCCI E31893 [1,1,0,0,0,0|0,0,0]=2 144 B8R0.1 CCOC(=O)CCCN E43487 [1,1,0,0,0,0|0,0,0]=2 145 B8R0.1 CCOC(=O)CCNC E41584 [1,1,0,0,0,0|0,0,0]=2 146 B8R0.1 CCOC(=O)CCSC E39202 [1,1,0,0,0,0|0,0,0]=2 147 B8R0.1 CCOC(=O)\C=C\CBr E43399 [1,1,0,0,0,0|0,0,2]=4 148 B8R0.1 CCOCC(=O)OCC E41554 [1,1,0,0,0,0|0,0,0]=2 149 B8R0.3 C=C(CBr)C(=O)OCC E43400 [1,1,0,0,0,0|1,0,1]=4 150 B8R0.3 C=C(CO)C(=O)OCC E41470 [1,1,0,0,0,0|0,0,1]=3 151 B8R0.3 CCOC(=O)C(=O)CBr E15776 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.3 CCOC(=O)C(=O)CBr E2491 [1,1,0,0,0,0|1,0,1]=4 153 B8R0.3 CCOC(=O)C(=O)CC E67705 [1,1,0,0,0,0|0,0,1]=3 154 B8R0.3 CCOC(=O)C(N)=NO E40243 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [1,1,0,0,0,0|1,0,0]=3 156 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [1,1,0,0,0,0|0,0,0]=2 157 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [1,1,0,0,0,0|0,0,0]=2 158 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [1,1,0,0,0,0|0,0,0]=2 159 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [1,1,0,0,0,0|0,0,0]=2 160 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [1,1,0,0,0,0|0,1,0]=3 161 B8R0.3 CCOC(=O)[C@H](C)C#N E43380 [1,1,0,0,0,0|1,0,1]=4 162 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [1,1,0,0,0,0|0,0,0]=2 163 B8R0.3 CCOC(=O)\C(Cl)=N\O E2979 [1,1,0,0,0,0|1,0,1]=4 164 B8R0.22 CCCN(C=O)CCC D43905 [1,1,0,0,0,0|2,0,0]=4 165 B8R0.30 CCOP(=O)([O-])OCC E54072 [1,1,0,0,0,0|2,0,0]=4 166 B8R0.14 CC(C)(C)C(=O)OCCl P69131 [0,1,0,0,1,0|2,0,0]=4 167 B8R0.14 CC(C)(C)C(=O)OCI K62297 [0,1,0,0,1,0|2,0,0]=4 168 B10R0.26 CCOC(=O)CC(=O)C(C)C E47096 [0,1,0,0,0,1|1,0,0]=3 169 B10R0.26 CCOC(=O)CC(=O)C(F)F E43313 [0,1,0,0,0,1|2,0,0]=4 170 B10R0.108 CCOC(=O)CNC(=O)OC E41521 [0,1,0,0,0,1|0,0,2]=4 171 B10R0.109 CCOC(=O)CCC(F)(F)F E64198 [0,1,0,0,0,1|2,0,0]=4 172 B10R0.35 CCOC(=O)C(=O)[C@@H](Br)CC E37425 [0,2,0,0,0,0|1,0,1]=4 173 B10R0.36 CCOC(=O)C(C)(C)C(=O)O E36691 [0,2,0,0,0,0|1,0,1]=4 174 B10R0.100 CCOC(=O)[C@@H](Br)C(C)(C)Br E43809 [0,2,0,0,0,0|1,0,0]=3 175 B10R0.101 CCOC(=O)[C@@H](CC)C(C)=O E47095 [0,2,0,0,0,0|0,0,2]=4 176 B10R0.101 CCOC(=O)\C(C#N)=C(\C)O E66110 [0,2,0,0,0,0|0,0,2]=4 177 B10R0.2 CCCC(=O)CC(=O)OCC E47091 [0,2,0,0,0,0|0,0,2]=4 178 B10R0.2 CCC[C@H](O)CC(=O)OCC E47159 [0,2,0,0,0,0|0,0,0]=2 179 B10R0.2 CCOC(=N)CC(=O)OCC E37761 [0,2,0,0,0,0|1,0,1]=4 180 B10R0.2 CCOC(=O)CC(=O)COC E69590 [0,2,0,0,0,0|0,0,2]=4 181 B10R0.2 CCOC(=O)C[C@H](O)CC#N E67509 [0,2,0,0,0,0|0,0,0]=2 182 B10R0.7 CCOC(=O)CC(C)(C)CN D64492 [0,2,0,0,0,0|1,0,0]=3 183 B10R0.31 CC(C)(C)OC(=O)CC(=O)O B39291 [0,2,0,0,0,0|1,0,1]=4 184 B8R1.1 CCN1CC[C@H](O)C1 E41574 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.4 CC1CC(N)CCO1 M26284 [1,0,0,1,0,0|1,0,1]=4 186 B8R1.4 CC1CC(O)CCO1 M14345 [1,0,0,1,0,0|0,0,2]=4 187 B8R1.4 CN1CCCC(=O)C1 M13651 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.4 CN1CCC[C@H](O)C1 H0286 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.4 CN1CCC[C@H](O)C1 H1522 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.4 CN1CCOC(=O)C1 M41260 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [1,0,0,1,0,0|1,0,0]=3 193 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,1,0,0|0,0,0]=2 194 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [1,0,0,1,0,0|1,0,0]=3 195 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [1,0,0,1,0,0|1,0,0]=3 196 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [1,0,0,1,0,0|1,0,0]=3 197 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,1,0,0|0,0,0]=2 198 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,1,0,0|0,0,0]=2 199 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.4 NC1CCCC(O)C1 A24893 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.4 NC1CCCC(O)C1 A43477 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [1,0,0,1,0,0|1,0,1]=4 204 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.4 O=C1CCCC(=O)C1 C38740 [1,0,0,1,0,0|0,0,2]=4 210 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [1,0,0,1,0,0|0,0,2]=4 213 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.40 COC(=O)CC1CC1 M11217 [1,0,0,1,0,0|1,0,0]=3 215 B8R1.51 CC1(C)CCC(=O)N1 D38848 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.51 CC1(C)CCC(=O)O1 D41465 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.51 CC1(C)CNC(=O)C1 D6966 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.51 CC1(C)COC(=O)N1 D0615 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.51 CC1(O)CCC(N)C1 H14948 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.6 CCOC1CC(N)C1 E15188 [1,0,0,1,0,0|1,0,1]=4 221 B8R1.6 CCO[C@H]1C[C@@H](N)C1 E19476 [1,0,0,1,0,0|1,0,1]=4 222 B8R1.6 CCO[C@H]1C[C@H](N)C1 E15190 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.7 CC(O)C1CCNC1 P61134 [1,0,0,1,0,0|1,0,1]=4 224 B8R1.22 O[C@H]1CCCNCC1 H12234 [1,0,0,1,0,0|1,0,1]=4 225 B8R1.72 CC1(N)CCOCC1 M10391 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.72 CC1(O)CCCCC1 M43886 [1,0,0,1,0,0|1,0,1]=4 227 B8R1.72 CC1(O)CCNCC1 H7439 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.72 CC1(O)CCNCC1 M0127 [1,0,0,1,0,0|1,0,1]=4 229 B8R1.72 CC1(O)CCOCC1 M25219 [1,0,0,1,0,0|0,0,1]=3 230 B8R1.72 CC1(O)CCSCC1 M41569 [1,0,0,1,0,0|0,1,1]=4 231 B8R1.72 C[C@]1(O)CCCNC1 M1131 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.72 C[C@]1(O)CCCNC1 M59908 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.11 CC[C@H]1CCCC1=O E43799 [1,0,0,1,0,0|1,0,0]=3 234 B8R1.11 O=C1CCC[C@@H]1CO H41464 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.11 O=C1NCC[C@@H]1CO H13645 [1,0,0,1,0,0|1,0,0]=3 236 B8R1.37 CCOC(=O)C1CC1 E41463 [1,0,0,1,0,0|0,0,0]=2 237 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [1,0,0,1,0,0|0,0,0]=2 238 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,1,1,0|2,0,0]=4 239 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,0,0,1,1,0|2,0,0]=4 240 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,0,0,1,1,0|2,0,0]=4 241 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,0,0,1,1,0|2,0,0]=4 242 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,0,0,1,1,0|2,0,0]=4 243 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,0,0,1,1,0|2,0,0]=4 244 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,0,0,1,1,0|2,0,0]=4 245 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,0,0,1,1,0|2,0,0]=4 246 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,0,0,1,1,0|1,0,0]=3 247 B10R1.138 CCCC(=O)OC[C@H]1CO1 G39289 [0,0,0,1,0,1|1,0,0]=3 248 B10R1.138 CCOC(C)OCC1CO1 E8608 [0,0,0,1,0,1|1,0,1]=4 249 B10R1.140 CCOC(=O)C1CC(=O)C1 E1322 [0,0,0,1,0,1|0,0,2]=4 250 B10R1.140 CCOC(=O)C1CC(N)C1 E46491 [0,0,0,1,0,1|1,0,0]=3 251 B10R1.140 CCOC(=O)C1CC(O)C1 SB8081 [0,0,0,1,0,1|0,0,0]=2 252 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 E13475 [0,0,0,1,0,1|0,0,0]=2 253 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 E10943 [0,0,0,1,0,1|0,0,0]=2 254 B10R1.212 CCOC(=O)[C@@H](Br)C1CC1 E7311 [0,1,0,1,0,0|1,0,0]=3 255 B10R1.135 CCOC(=O)C1CC1C#N M24297 [0,1,0,1,0,0|1,0,0]=3 256 B10R1.135 CCOC(=O)C1CC1C=O E43726 [0,1,0,1,0,0|0,0,1]=3 257 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N E29920 [0,1,0,1,0,0|1,0,0]=3 258 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N E29838 [0,1,0,1,0,0|1,0,0]=3 259 B10R1.137 CCOC(=O)C=C1COC1 E1599 [0,1,0,1,0,0|0,0,2]=4 260 B10R1.149 COC(=O)[C@@H]1CCOC1=O M43315 [0,1,0,1,0,0|0,0,2]=4 261 B10R1.181 CCOC(=O)CC1(N)CC1 E17522 [0,1,0,1,0,0|1,0,0]=3 262 B10R2.71 O=C1CC2CCC(C1)C2 B10791 [0,0,0,2,0,0|2,0,0]=4 263 B10R2.71 O=C1CC2CCC(C1)O2 X10656 [0,0,0,2,0,0|1,0,0]=3 264 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 A0702 [0,0,0,2,0,0|2,0,0]=4 265 B10R2.71 OC1CC2CCC(C1)O2 X13630 [0,0,0,2,0,0|1,0,1]=4 266 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)O2 X13632 [0,0,0,2,0,0|1,0,1]=4 267 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)O2 X13633 [0,0,0,2,0,0|1,0,1]=4 268 B10R2.534 O=C1CCCC2(CC2)C1 S60470 [0,0,0,2,0,0|2,0,0]=4 269 B10R2.485 O=C(CC1CC1)C2CC2 D29645 [0,0,0,2,0,0|2,0,0]=4 270 B6R0.3 CCC(=O)N(C)C D67412 [1,0,0,0,1,0|2,0,0]=4 271 B6R0.3 CNC(=O)[C@H](C)N A40308 [1,0,0,0,1,0|2,0,0]=4 272 B6R0.3 COC(=O)[C@@H](C)O M68913 [1,0,0,0,1,0|0,0,0]=2 273 B6R0.3 COC(=O)[C@H](C)Cl M68359 [1,0,0,0,1,0|1,0,0]=3 274 B6R0.3 COC(=O)[C@H](C)N A68085 [1,0,0,0,1,0|1,0,0]=3 275 B6R0.3 COC(=O)[C@H](C)N M68343 [1,0,0,0,1,0|1,0,0]=3 276 B6R0.3 COC(=O)[C@H](C)O M69777 [1,0,0,0,1,0|0,0,0]=2 277 B10R0.3 C=C(C)CCCC(=O)OCC E50504 [0,0,0,0,0,2|1,0,1]=4 278 B10R0.3 CCOC(=O)CCCC(=O)O E43824 [0,0,0,0,0,2|1,0,1]=4 279 B10R0.3 CCOC(=O)CCCC(C)=O E47092 [0,0,0,0,0,2|0,0,2]=4