0 B7R0.9 CC(=O)CC(C)(C)C A10213 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.9 CC(=O)CC(C)(C)N 30483 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.9 CC(=O)CC(C)(C)S D95275 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.9 CC(=O)CS(C)(=O)=O D97758 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.9 CC(=O)N[Si](C)(C)C D92366 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.9 CC(C)(Br)CC(=O)O D84403 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.9 CC(C)(C)CC(=O)Cl P18012 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.9 CC(C)(C)CC(=O)O D78179 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.9 CC(C)(C)NC(N)=S D95564 [0,0,0,0,0,0|3,1,0]=4 9 B7R0.9 CC(C)(C)OC(N)=O AB3345 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.9 CC(C)(N)CC(=O)O 33076 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.9 CC(C)(O)CC(=O)O A10925 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.9 CS(=O)(=O)CC(=O)O 29030 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.9 C[C@H](O)C[N+](C)(C)C D91363 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.9 C[C@H](O)C[N+](C)(C)C F16448 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.9 C[N+](C)(C)CC(=O)[O-] 70061 [0,0,0,0,0,0|0,0,0]=0 16 B6R0.2 CC(=O)NC(C)C N12028 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.2 CC(C)=CC(=O)O D78089 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.2 CC(C)CC(=O)O D78213 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.2 CC(C)OC(N)=O D81825 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.2 CN(C)CC(=O)Cl A50815 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.2 CN(C)CC(=O)O 28781 [1,0,0,0,0,0|0,0,2]=3 22 B6R0.2 CN(C)CC(=O)O 73674 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.2 CN(C)CC(N)=S F15120 [1,0,0,0,0,0|1,1,1]=4 24 B6R0.2 C[C@H](Cl)CC(=O)Cl AC1766 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.2 C[C@H](Cl)CC(=O)O D89206 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.2 C[C@H](N)CC(=O)O 62356 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.2 C[C@H](N)CC(=O)O 62357 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.2 C[C@H](N)CC(=O)O 62358 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.2 C[C@H](N)CC(=O)O 62359 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.2 C[C@H](N)CC(=O)O 62363 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.2 C[C@H](O)CC(=O)O D84191 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.2 C[C@H](O)CC(=O)O O10175 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.2 C[C@H](O)CC(=O)[O-] 23392 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.2 C[C@H](O)CC(=O)[O-] H10236 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.5 C#CC[N+](C)(C)C D93235 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.5 C#CC[Si](C)(C)C I10158 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.5 C=CC[Si](C)(C)C 76453 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.5 C=CC[Si](C)(C)Cl D88404 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.5 C=COC(C)(C)C 28752 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.5 C=CO[Si](C)(C)C H11371 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.5 CC(C)(C)CC=O 60546 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.5 CC(C)(C)CCBr 29514 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.5 CC(C)(C)CCCl D95900 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.5 CC(C)(C)CCO 61808 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.5 CC(C)(C)NC=O D88776 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.5 CNCC(C)(C)C D94980 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.5 CNCC(C)(C)C F20240 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.5 C[N+](C)(C)CCBr D88668 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.5 C[N+](C)(C)CCCl C10106 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.5 C[N+](C)(C)CCO D70213 [1,0,0,0,0,0|0,0,2]=3 51 B6R0.5 C[N+](C)(C)CCO D70215 [1,0,0,0,0,0|0,0,2]=3 52 B6R0.5 C[N+](C)(C)CCO D78341 [1,0,0,0,0,0|0,0,2]=3 53 B6R0.5 C[N+](C)(C)CCO D89232 [1,0,0,0,0,0|0,0,2]=3 54 B6R0.5 C[Si](C)(C)CC#N AC8644 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.5 C[Si](C)(C)CCO 75284 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.5 C[Si](C)(C)N=C=O D92451 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.24 C#CC(=O)OC(C)(C)C 76796 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.24 C=CC(=O)NC(C)(C)C D70371 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.24 C=CC(=O)O[Si](C)(C)C D92720 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.24 CC(C)(C)NC(=O)CBr W18559 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.24 CC(C)(C)NC(=O)CCl N11730 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.24 CC(C)(C)OC(=O)CBr AB6559 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.24 CC(C)(C)OC(=O)CI F19884 [0,1,0,0,0,0|3,0,0]=4 64 B8R0.24 CC(C)(C)OC(=O)CN 34510 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.24 CC(C)(C)OC(=O)CN FD21585 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.24 CC(C)(C)OC(=O)CO 26378 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.24 CC(C)(C)OC(=O)CS 12914 [0,1,0,0,0,0|2,1,0]=4 68 B8R0.24 CC(C)(C)OC(=O)NN 11583 [0,1,0,0,0,0|3,0,0]=4 69 B8R0.24 CC(C)(C)OC(=O)NO 87591 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.24 CCC(=O)OC(C)(C)C D89002 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.24 CNC(=O)OC(C)(C)C 79474 [0,1,0,0,0,0|3,0,0]=4 72 B8R0.24 COC(=O)CC(C)(C)C D95626 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.24 C[N+](C)(C)C[C@H](O)CCl D72484 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.24 C[N+](C)(C)C[C@H](O)CO F16434 [0,1,0,0,0,0|0,0,3]=4 75 B8R0.27 CC(C)(C)C(=O)C(=O)O SC1212 [0,1,0,0,0,0|1,0,2]=4 76 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 27215 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 63540 [0,1,0,0,0,0|1,0,1]=3 78 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 63542 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.27 CC(C)(C)[C@H](N)C(N)=O F14387 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.27 CC(C)(S)[C@H](N)C(=O)O C11446 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.27 CC(C)(S)[C@H](N)C(=O)O P15236 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.34 CCC(C)(C)CC(=O)O D93429 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.34 CC[C@](C)(O)CC(=O)O D90920 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.34 CSC(C)(C)CC(C)=O D95281 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.51 CC1(C)CNC(=O)C1 30628 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.77 CC1(C)CC1C(N)=O 60322 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.77 CC1(C)C[C@@H]1C(=O)O CL4550 [0,0,0,1,0,0|1,0,1]=3 88 B8R1.77 CC1(C)C[C@@H]1C(=O)O P17495 [0,0,0,1,0,0|1,0,1]=3 89 B8R1.77 CC1(C)C[C@@H]1C(N)=O 36676 [0,0,0,1,0,0|2,0,0]=3 90 B6R0.7 CC(=O)C(C)(C)Br F20882 [0,0,0,0,1,0|3,0,0]=4 91 B6R0.7 CC(=O)C(C)(C)O D88126 [0,0,0,0,1,0|3,0,0]=4 92 B6R0.7 CC(C)(Br)C(=O)Br H11248 [0,0,0,0,1,0|3,0,0]=4 93 B6R0.7 CC(C)(Br)C(N)=O 29749 [0,0,0,0,1,0|3,0,0]=4 94 B6R0.7 CC(C)(C)C(=N)N 87492 [0,0,0,0,1,0|3,0,0]=4 95 B6R0.7 CC(C)(C)C(=O)O D78007 [0,0,0,0,1,0|1,0,1]=3 96 B6R0.7 CC(C)(C)C(=O)[O-] D70697 [0,0,0,0,1,0|1,0,0]=2 97 B6R0.7 CC(C)(C)C(=O)[O-] D97172 [0,0,0,0,1,0|1,0,0]=2 98 B6R0.7 CC(C)(C)C(=O)[O-] F16483 [0,0,0,0,1,0|1,0,0]=2 99 B6R0.7 CC(C)(C)C(=O)[O-] H10729 [0,0,0,0,1,0|1,0,0]=2 100 B6R0.7 CC(C)(C)C(=O)[O-] T70538 [0,0,0,0,1,0|1,0,0]=2 101 B6R0.7 CC(C)(C)C(N)=O AC2528 [0,0,0,0,1,0|2,0,0]=3 102 B6R0.7 CC(C)(C)C(N)=S 28048 [0,0,0,0,1,0|2,1,0]=4 103 B6R0.7 CC(C)(C)[N+](=O)[O-] D91469 [0,0,0,0,1,0|2,0,0]=3 104 B6R0.7 CC(C)(C)[S@@](N)=O 97428 [0,0,0,0,1,0|3,0,0]=4 105 B6R0.7 CC(C)(C)[S@@](N)=O 97525 [0,0,0,0,1,0|3,0,0]=4 106 B6R0.7 CC(C)(C)[S@@](N)=O 97529 [0,0,0,0,1,0|3,0,0]=4 107 B6R0.7 CC(C)(F)C(=O)O 83418 [0,0,0,0,1,0|2,0,1]=4 108 B6R0.7 CC(C)(N)C(=O)O AC8052 [0,0,0,0,1,0|2,0,1]=4 109 B6R0.7 CC(C)(N)C(N)=O 32273 [0,0,0,0,1,0|3,0,0]=4 110 B6R0.7 CC(C)(O)C(=O)O S12287 [0,0,0,0,1,0|2,0,1]=4 111 B6R0.7 CC(C)(O)C(N)=O AC8009 [0,0,0,0,1,0|3,0,0]=4 112 B8R0.29 CC(=O)C#C[Si](C)(C)C 75966 [0,0,0,0,0,1|2,0,1]=4 113 B8R0.29 CC(=O)OC[Si](C)(C)C D88457 [0,0,0,0,0,1|2,0,0]=3 114 B8R0.29 CC(C)(C)CCC(=O)O AB7068 [0,0,0,0,0,1|1,0,1]=3 115 B8R0.29 CC(C)(C)NCC(=O)O FD21623 [0,0,0,0,0,1|1,0,1]=3 116 B8R0.29 CC(C)(C)OCC(=O)O D70768 [0,0,0,0,0,1|1,0,1]=3 117 B8R0.29 CC(C)(C)\C=C\C(=O)O Y13469 [0,0,0,0,0,1|1,0,2]=4 118 B8R0.29 CC(C)(N)CNC(N)=O 46043 [0,0,0,0,0,1|3,0,0]=4 119 B5R0.1 C=CCN(C)C D89797 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.1 CC(C)=CC=O 23180 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 CCCC(=O)[O-] D84277 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 CCCC(N)=O D70204 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 CCC[N+](=O)[O-] D97683 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 CN(C)CC=O O10521 [2,0,0,0,0,0|0,0,1]=3 125 B5R0.1 CNCC(=O)O 73735 [2,0,0,0,0,0|0,0,2]=4 126 B5R0.1 CNCC(=O)O AC7804 [2,0,0,0,0,0|0,0,2]=4 127 B5R0.1 CNCC(N)=O A11560 [2,0,0,0,0,0|1,0,1]=4 128 B5R0.1 COCC(=O)Cl D78222 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.1 COCC(=O)O D77874 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.1 COCC(C)=O D91400 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 COCC(N)=O F20983 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 CSCC(=O)O F15988 [2,0,0,0,0,0|1,0,1]=4 133 B5R0.1 CSCC(N)=O 23231 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.1 N#CCC(=O)[O-] D83681 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.4 C=CC(C)(C)C D89799 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.4 C=C[Si](C)(C)C 76807 [2,0,0,0,0,0|1,0,1]=4 137 B5R0.4 CC(C)(Br)C=O A12011 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.4 CC(C)(C)CBr D78161 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.4 CC(C)(C)CCl D89303 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.4 CC(C)(C)CI AT22032 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.4 CC(C)(C)CN C10662 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.4 CC(C)(C)CN H10567 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.4 CC(C)(C)CO D78368 [2,0,0,0,0,0|1,0,1]=4 144 B5R0.4 CC(C)(C)N=O D95969 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.4 CC[N+](C)(C)C D90453 [2,0,0,0,0,0|0,0,1]=3 146 B5R0.4 C[Si](C)(C)CBr D88871 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.4 C[Si](C)(C)CI D73359 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.4 C[Si](C)(C)CO S12036 [2,0,0,0,0,0|1,0,1]=4 149 B7R0.2 CCC(=O)CC(C)C D90471 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.2 CCN(C)CC(=O)O D97398 [1,1,0,0,0,0|0,0,2]=4 151 B7R0.2 CC[C@H](C)CC(=O)O 63956 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.2 CC[C@H](C)CC(=O)O 63972 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.2 CN(C)CC(=O)NN 74122 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.2 COC(=O)CC(=O)[O-] 20517 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.2 COC(=O)CC(C)C 79108 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.2 COC(=O)CN(C)C H10578 [1,1,0,0,0,0|0,0,2]=4 157 B7R0.16 CC(C)C(=O)C(=O)[O-] O12076 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.16 CC(C)[C@H](Br)C(=O)O A10761 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.16 CC(C)[C@H](Br)C(=O)O FD1208 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.16 CC(C)[C@H](N)C(=O)O AC7511 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.16 CC(C)[C@H](N)C(N)=O 35750 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.16 CC(C)[C@H](N)C(N)=O F14574 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.16 CC(C)[C@H](O)C(=O)O C10550 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.16 CC(C)[C@H](O)C(=O)O F19720 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.16 CC(C)[C@H](O)C(=O)O S12088 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.8 C=CCC[Si](C)(C)C D93230 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.8 C=CCNC(C)(C)C D88524 [1,1,0,0,0,0|2,0,0]=4 168 B7R0.8 C=CCO[Si](C)(C)C D88353 [1,1,0,0,0,0|2,0,0]=4 169 B7R0.8 CCCC[N+](C)(C)C D89168 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.8 CCCC[N+](C)(C)C D97448 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.8 C[N+](C)(C)CCCBr 35096 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.8 C[Si](C)(C)C#CC=O F20454 [1,1,0,0,0,0|1,0,1]=4 173 B7R0.11 C=CC[Si](C)(C)CCl D88416 [1,1,0,0,0,0|2,0,0]=4 174 B7R0.13 CC(C)(CCl)C(=O)O D84180 [0,1,0,0,1,0|1,0,1]=4 175 B7R0.13 CC(C)(CF)C(=O)O FD10572 [0,1,0,0,1,0|1,0,1]=4 176 B7R0.13 CC(C)(CN)C(=O)O 32394 [0,1,0,0,1,0|1,0,1]=4 177 B7R0.13 CC(C)(CN)C(N)=O 51122 [0,1,0,0,1,0|2,0,0]=4 178 B7R0.13 CC(C)(CO)C(=O)O AC7895 [0,1,0,0,1,0|1,0,1]=4 179 B7R0.13 CCC(C)(C)C(=O)Cl A10688 [0,1,0,0,1,0|2,0,0]=4 180 B7R0.13 CCC(C)(C)C(=O)O 28824 [0,1,0,0,1,0|1,0,1]=4 181 B7R0.13 CNC(C)(C)C(=O)O T72178 [0,1,0,0,1,0|1,0,1]=4 182 B7R0.13 COC(C)(C)C(=O)O 28124 [0,1,0,0,1,0|1,0,1]=4 183 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O 56506 [0,1,0,0,0,1|1,0,1]=4 184 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O 56507 [0,1,0,0,0,1|1,0,1]=4 185 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O 56508 [0,1,0,0,0,1|1,0,1]=4 186 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51153 [0,1,0,0,0,1|1,0,1]=4 187 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51154 [0,1,0,0,0,1|1,0,1]=4 188 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C F12359 [0,2,0,0,0,0|2,0,0]=4 189 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C 33261 [0,2,0,0,0,0|1,0,1]=4 190 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C F11538 [0,2,0,0,0,0|1,0,1]=4 191 B9R0.44 CCOC(=O)C[Si](C)(C)C 76521 [0,2,0,0,0,0|1,0,1]=4 192 B7R1.2 C[C@@H]1CNC(=O)C1 P10078 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.20 O=C(O)CC1CC1 CL4520 [1,0,0,1,0,0|1,0,1]=4 195 B7R1.19 CC1(C(=O)Cl)CC1 P11176 [0,0,0,1,1,0|2,0,0]=4 196 B7R1.19 CC1(C(=O)O)CC1 37829 [0,0,0,1,1,0|1,0,1]=4 197 B7R1.19 CC1(C(N)=O)CC1 F52103 [0,0,0,1,1,0|2,0,0]=4 198 B9R1.10 CC1(C)CCC(=O)CC1 35448 [0,0,0,1,0,1|2,0,0]=4 199 B9R1.10 CC1(C)COC(=O)OC1 F51892 [0,0,0,1,0,1|1,0,1]=4 200 B9R1.10 C[N+]1(C)CCC(=O)CC1 AB10340 [0,0,0,1,0,1|1,0,0]=3 201 B9R1.66 CC1(C)CC(=O)CCN1 90148 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.66 CC1(C)CC(=O)CCO1 58123 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.66 CC1(C)CCCC(=O)C1 F14897 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.138 CC1(C)COC(=O)[C@H]1O 30286 [0,1,0,1,0,0|1,0,1]=4 205 B9R1.138 CC1(C)COC(=O)[C@H]1O 64980 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.138 CC1(C)COC(=O)[C@H]1O AC1149 [0,1,0,1,0,0|1,0,1]=4 207 B5R0.5 C=C(C)C(=O)[O-] F16474 [1,0,0,0,1,0|1,0,1]=4 208 B5R0.5 CC(=O)C(=O)[O-] D77796 [1,0,0,0,1,0|2,0,0]=4 209 B5R0.5 CC(=O)C(=O)[O-] D97786 [1,0,0,0,1,0|2,0,0]=4 210 B5R0.5 CC(=O)C(=O)[O-] H10783 [1,0,0,0,1,0|2,0,0]=4 211 B5R0.5 CC(=O)C(=O)[O-] H11289 [1,0,0,0,1,0|2,0,0]=4 212 B5R0.5 CC(=O)N(C)C D88939 [1,0,0,0,1,0|1,0,1]=4 213 B5R0.5 CC(C)C(=O)[O-] D91080 [1,0,0,0,1,0|1,0,0]=3 214 B5R0.5 CC(C)C(N)=O 28439 [1,0,0,0,1,0|2,0,0]=4 215 B5R0.5 CC(C)[N+](=O)[O-] D95323 [1,0,0,0,1,0|2,0,0]=4 216 B5R0.5 CC(O)C(=O)[O-] F16480 [1,0,0,0,1,0|2,0,0]=4 217 B5R0.5 CN(C)C(N)=O D89723 [1,0,0,0,1,0|1,0,1]=4 218 B5R0.5 C[C@H](O)C(=O)[O-] D91256 [1,0,0,0,1,0|2,0,0]=4 219 B5R0.5 C[C@H](O)C(=O)[O-] H11285 [1,0,0,0,1,0|2,0,0]=4 220 B5R0.5 C[C@H](O)C(=O)[O-] H12049 [1,0,0,0,1,0|2,0,0]=4 221 B7R0.6 CC(=O)CCC(=O)[O-] H10799 [1,0,0,0,0,1|2,0,0]=4 222 B7R0.6 CC(=O)CCN(C)C D82201 [1,0,0,0,0,1|1,0,1]=4 223 B7R0.6 CC(C)CCC(=O)O 28835 [1,0,0,0,0,1|1,0,1]=4 224 B7R0.6 CN(C)CCC(=O)O 30383 [1,0,0,0,0,1|0,0,2]=4 225 B7R0.6 CN(C)CCC(=O)O 35949 [1,0,0,0,0,1|0,0,2]=4 226 B7R0.6 C[S+](C)CCC(=O)O 74954 [1,0,0,0,0,1|1,0,1]=4 227 B9R0.56 CC(=O)OCC[N+](C)(C)C D81773 [0,0,0,0,0,2|1,0,0]=3 228 B9R0.56 CC(=O)OCC[N+](C)(C)C D88210 [0,0,0,0,0,2|1,0,0]=3 229 B9R0.56 CC(=O)SCC[N+](C)(C)C C93437 [0,0,0,0,0,2|1,0,0]=3 230 B9R0.56 C[N+](C)(C)CCCC(=O)O D83216 [0,0,0,0,0,2|0,0,1]=3 231 B9R0.56 C[N+](C)(C)NCCC(=O)O D97823 [0,0,0,0,0,2|0,0,1]=3