0 B6R0.4 C#CCCC(=O)O 90045 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 C#CCNC(N)=O T72567 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 C#CCOC(C)=O 36884 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.4 C=C(C)CNCC D95542 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.4 C=CCCC(=O)O O12040 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.4 C=CCOC(=O)Cl D87847 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.4 C=CCOC(N)=O D97550 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.4 CC(=O)CCCCl D77754 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.4 CC(=O)CCCO 24602 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.4 CC(=O)NCCN D70867 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.4 CC(=O)NCCO FD10637 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.4 CC(=O)NCCS AT13754 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.4 CC(=O)OCCBr C10198 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.4 CC(=O)OCCCl D88201 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.4 CC(=O)OCCO D88371 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.4 CC(C)=CCCBr F19983 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 CC(C)CCCBr O10389 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.4 CC(C)CCCO F20439 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.4 CC(C)NCCCl 20398 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.4 CC(C)NCCO D78491 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.4 CCC#CC(=O)O D84135 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.4 CCCCB(O)O 33151 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.4 CCCCC(=N)N 31933 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.4 CCCCC(=N)N W16181 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.4 CCCCC(=O)[O-] F16484 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.4 CCCCC(N)=O A10835 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.4 CCCNC(C)=O D97464 [0,0,0,0,0,0|1,0,0]=1 27 B6R0.4 CCCNC(N)=S D86341 [0,0,0,0,0,0|2,1,0]=3 28 B6R0.4 CCCOC(=S)[S-] D91970 [0,0,0,0,0,0|1,1,0]=2 29 B6R0.4 CCCOC(N)=O F16337 [0,0,0,0,0,0|1,0,0]=1 30 B6R0.4 CCCSC(C)=O D92148 [0,0,0,0,0,0|0,1,0]=1 31 B6R0.4 CCOCC(C)C D93520 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.4 CCSCC(=O)O D95699 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.4 CC\C=C\C(=O)O D72497 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.4 CC\C=C\C(=O)O P17755 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.4 CN(C)CCCBr 25428 [0,0,0,0,0,0|4,0,0]=4 36 B6R0.4 CN(C)CCCCl 23626 [0,0,0,0,0,0|4,0,0]=4 37 B6R0.4 CN(C)CCCCl AC7814 [0,0,0,0,0,0|4,0,0]=4 38 B6R0.4 CN(C)CCCS D93440 [0,0,0,0,0,0|4,0,0]=4 39 B6R0.4 CNCCC(=O)O 29150 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.4 CNCCC(=O)O C76064 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.4 CNCCN(C)C 20029 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.4 CNCCN(C)C 24589 [0,0,0,0,0,0|4,0,0]=4 43 B6R0.4 COCCC(=N)N W16180 [0,0,0,0,0,0|4,0,0]=4 44 B6R0.4 COCCC(=O)O F14687 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.4 COCCN(C)C A11162 [0,0,0,0,0,0|4,0,0]=4 46 B6R0.4 CO\C=C\C(C)=O D78013 [0,0,0,0,0,0|2,0,1]=3 47 B6R0.4 CO\C=C\C(C)=O F50213 [0,0,0,0,0,0|2,0,1]=3 48 B6R0.4 CSCCC(=O)O D87669 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.4 CSCCC(C)=O D91573 [0,0,0,0,0,0|2,0,0]=2 50 B6R0.4 CSCOC(C)=O D88428 [0,0,0,0,0,0|1,0,0]=1 51 B6R0.4 C[C@H](Br)CCCBr F14613 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.4 C[C@H](O)CCCO 22874 [0,0,0,0,0,0|2,0,2]=4 53 B6R0.4 C\C=C\CC(=O)O D92067 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.4 N#CCCC(=O)O 81998 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.4 N=C(N)SCCN D88373 [0,0,0,0,0,0|3,1,0]=4 56 B6R0.4 NC(=O)NCCO C10765 [0,0,0,0,0,0|3,0,0]=3 57 B6R0.4 NCCCC(=O)O D70585 [0,0,0,0,0,0|3,0,0]=3 58 B6R0.4 NCCNC(N)=O D83060 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.4 O=C(Cl)CCCBr P19996 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.4 O=C(Cl)OCCCl AT19702 [0,0,0,0,0,0|2,0,0]=2 61 B6R0.4 O=C(O)C#CCO 25830 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.4 O=C(O)CCCBr 20498 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.4 O=C(O)CCCCl F19286 [0,0,0,0,0,0|3,0,0]=3 64 B6R0.4 O=C(O)CCCS F20547 [0,0,0,0,0,0|3,0,0]=3 65 B6R0.4 O=C(O)\C=C\CBr 84952 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.1 C#CCC(=O)O F14007 [1,0,0,0,0,0|1,0,2]=4 67 B5R0.1 C=C(C)CCBr 80247 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.1 C=C(C)OCC 78535 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.1 C=CCC(=O)O H10768 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 C=CNC(C)=O D92786 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.1 C=NCC(N)=O D97705 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.1 CC#CC(=O)O 66664 [1,0,0,0,0,0|1,0,2]=4 73 B5R0.1 CC(=O)CC#N 88909 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.1 CC(=O)CCCl F20480 [1,0,0,0,0,0|1,0,0]=2 75 B5R0.1 CC(=O)CCO 55787 [1,0,0,0,0,0|1,0,0]=2 76 B5R0.1 CC(=O)NCO FD10622 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.1 CC(=O)OCBr A12670 [1,0,0,0,0,0|1,0,0]=2 78 B5R0.1 CC(=O)OCCl D78132 [1,0,0,0,0,0|1,0,0]=2 79 B5R0.1 CC(=O)\C=N\O D72887 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.1 CC(C)=CCBr 75658 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.1 CC(C)=CCO F20316 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.1 CCCB(O)O 33060 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.1 CCCC(=N)N W10324 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.1 CCCC(=O)[O-] D84277 [1,0,0,0,0,0|1,0,0]=2 85 B5R0.1 CCCC(N)=O D70204 [1,0,0,0,0,0|1,0,0]=2 86 B5R0.1 CCC[C@H](C)N 28967 [1,0,0,0,0,0|1,0,1]=3 87 B5R0.1 CCC[C@H](C)O RB3003 [1,0,0,0,0,0|0,0,2]=3 88 B5R0.1 CCC[C@H](C)O T72186 [1,0,0,0,0,0|0,0,2]=3 89 B5R0.1 CCC[N+](=O)[O-] D97683 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.1 CCNC(C)=O AC2513 [1,0,0,0,0,0|1,0,0]=2 91 B5R0.1 CCNC(C)C D77967 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.1 CCNC(N)=O D95291 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.1 CCOC(=S)[S-] D78138 [1,0,0,0,0,0|1,1,0]=3 94 B5R0.1 CCOC(=S)[S-] D90455 [1,0,0,0,0,0|1,1,0]=3 95 B5R0.1 CCOC(C)=N D70134 [1,0,0,0,0,0|1,0,0]=2 96 B5R0.1 CCOC(N)=O F21294 [1,0,0,0,0,0|1,0,0]=2 97 B5R0.1 CCO[SiH](C)C I11477 [1,0,0,0,0,0|1,1,0]=3 98 B5R0.1 CCSC(=N)N D86401 [1,0,0,0,0,0|2,1,0]=4 99 B5R0.1 CCSC(C)=O H11301 [1,0,0,0,0,0|0,1,0]=2 100 B5R0.1 CC[O+]=C(N)N 35842 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.1 CN(C)CCBr O10701 [1,0,0,0,0,0|3,0,0]=4 102 B5R0.1 CN(C)CCCl D77997 [1,0,0,0,0,0|3,0,0]=4 103 B5R0.1 CN(C)CCN S12293 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.1 CN(C)CCS 35911 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.1 CNCC(=O)O 73735 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.1 CNCC(=O)O AC7804 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.1 CNCC(N)=O A11560 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.1 COCC(=N)N 20309 [1,0,0,0,0,0|3,0,0]=4 109 B5R0.1 COCC(=O)Cl D78222 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.1 COCC(=O)O D77874 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.1 COCC(C)=O D91400 [1,0,0,0,0,0|1,0,0]=2 112 B5R0.1 COCC(N)=O F20983 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.1 COC[C@H](C)O 35103 [1,0,0,0,0,0|1,0,2]=4 114 B5R0.1 COC[C@H](C)O O10158 [1,0,0,0,0,0|1,0,2]=4 115 B5R0.1 CSCC(=O)O F15988 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.1 CSCC(N)=O 23231 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.1 CSC[S@](C)=O 63104 [1,0,0,0,0,0|2,0,0]=3 118 B5R0.1 C[C@H](Cl)CCCl D89632 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.1 C[C@H](N)CCO 36141 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.1 C[C@H](N)CCO 36142 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.1 C[C@H](N)CCO F11725 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.1 C[C@H](O)CCO 55765 [1,0,0,0,0,0|1,0,2]=4 123 B5R0.1 C[C@H](O)CCO O10183 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.1 C[NH2+]CC(C)C D91375 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.1 C\C=C\C(=O)Cl D78102 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.1 C\C=C\C(=O)Cl F20351 [1,0,0,0,0,0|1,0,2]=4 127 B5R0.1 C\C=C\C(=O)O RB8002 [1,0,0,0,0,0|1,0,2]=4 128 B5R0.1 C\C=C\C(C)=O F17125 [1,0,0,0,0,0|0,0,2]=3 129 B5R0.1 N#CCC(=O)O P20002 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.1 N#CCC(=O)[O-] D83681 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.1 N#CCC(N)=O W18657 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.1 NC(=O)CCBr C16124 [1,0,0,0,0,0|2,0,0]=3 133 B5R0.1 NCCC(N)=O F13534 [1,0,0,0,0,0|2,0,0]=3 134 B5R0.1 NOCC(=O)O H11929 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.1 O=C(Cl)CCBr D88890 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.1 O=C(Cl)OCCl H11933 [1,0,0,0,0,0|2,0,0]=3 137 B5R0.1 O=C(O)CCBr P17146 [1,0,0,0,0,0|2,0,0]=3 138 B5R0.1 O=C(O)CCF 71324 [1,0,0,0,0,0|2,0,0]=3 139 B5R0.1 O=C(O)CCI D91073 [1,0,0,0,0,0|2,0,0]=3 140 B5R0.1 O=C(O)CCO 77998 [1,0,0,0,0,0|2,0,0]=3 141 B5R0.1 O=C(O)CCS AT21041 [1,0,0,0,0,0|2,0,0]=3 142 B5R0.1 O=[N+]([O-])CCO AC1643 [1,0,0,0,0,0|3,0,0]=4 143 B5R0.2 C#CCCCC 75209 [1,0,0,0,0,0|1,0,2]=4 144 B5R0.2 C=CCCCBr 78391 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.2 C=CCCCCl O11411 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.2 C=CCCCN 68255 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.2 C=CCCCN 86153 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.2 C=CCCCO 76184 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.2 C=COCCO D78209 [1,0,0,0,0,0|1,0,1]=3 150 B5R0.2 CCCCNN F17594 [1,0,0,0,0,0|3,0,0]=4 151 B5R0.2 CCCCON H11431 [1,0,0,0,0,0|3,0,0]=4 152 B5R0.2 CCCNCC F21346 [1,0,0,0,0,0|1,0,1]=3 153 B5R0.2 CCNCCN AB11316 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.2 CCNCCO 20098 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.2 CCOCCCl 29431 [1,0,0,0,0,0|1,0,1]=3 156 B5R0.2 CCSCCCl D89330 [1,0,0,0,0,0|1,1,1]=4 157 B5R0.2 CCSSCC D89662 [1,0,0,0,0,0|1,1,1]=4 158 B5R0.2 CC\C=C\C=O 11553 [1,0,0,0,0,0|1,0,1]=3 159 B5R0.2 CNCCCCl F16501 [1,0,0,0,0,0|3,0,0]=4 160 B5R0.2 CNCCCN 37144 [1,0,0,0,0,0|3,0,0]=4 161 B5R0.2 CNCCCO 36133 [1,0,0,0,0,0|3,0,0]=4 162 B5R0.2 CNCCNC 39416 [1,0,0,0,0,0|3,0,0]=4 163 B5R0.2 CNCCOC D70346 [1,0,0,0,0,0|3,0,0]=4 164 B5R0.2 CNCCSC AC2521 [1,0,0,0,0,0|3,0,0]=4 165 B5R0.2 COCCCBr F11235 [1,0,0,0,0,0|3,0,0]=4 166 B5R0.2 COCCCCl H11766 [1,0,0,0,0,0|3,0,0]=4 167 B5R0.2 COCCCN D81053 [1,0,0,0,0,0|3,0,0]=4 168 B5R0.2 COCCOC D81126 [1,0,0,0,0,0|3,0,0]=4 169 B5R0.2 COCCOC D83907 [1,0,0,0,0,0|3,0,0]=4 170 B5R0.2 COCCOC F16635 [1,0,0,0,0,0|3,0,0]=4 171 B5R0.2 CSCCCO 79218 [1,0,0,0,0,0|3,0,0]=4 172 B5R0.2 CSCCC[NH3+] D91382 [1,0,0,0,0,0|3,0,0]=4 173 B5R0.2 C\C=C/CCC D90857 [1,0,0,0,0,0|1,0,0]=2 174 B5R0.2 ClCCOCCl 29087 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.2 N#CCOC=O D95257 [1,0,0,0,0,0|1,0,1]=3 176 B5R0.2 O=C=NCCCl D91119 [1,0,0,0,0,0|2,0,1]=4 177 B7R0.2 C=C[C@H](C)OC(C)=O D88608 [0,1,0,0,0,0|0,0,2]=3 178 B7R0.2 CCC(=O)CC(C)=O 24687 [0,1,0,0,0,0|1,0,1]=3 179 B7R0.2 CCC(=O)OC(C)=O 27049 [0,1,0,0,0,0|0,0,1]=2 180 B7R0.2 CCC(C)CC(C)N 40016 [0,1,0,0,0,0|2,0,1]=4 181 B7R0.2 CCC(C)CC(C)N D88161 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.2 CCN(C)CC(=O)O D97398 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.2 CC[C@H](C)CC(=O)O 63956 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.2 CC[C@H](C)CC(=O)O 63972 [0,1,0,0,0,0|2,0,0]=3 185 B7R0.2 CC[C@H](C)NC(N)=O D95824 [0,1,0,0,0,0|2,0,0]=3 186 B7R0.2 CC[C@H](N)CC(=O)O 52001 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.2 CC[C@H](N)CC(=O)O 52002 [0,1,0,0,0,0|2,0,0]=3 188 B7R0.2 CC[C@H](N)CC(=O)O Y10914 [0,1,0,0,0,0|2,0,0]=3 189 B7R0.2 CC[C@H](N)CC(=O)O Y11199 [0,1,0,0,0,0|2,0,0]=3 190 B7R0.2 CNC(=O)NC(C)=O D88213 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.2 COC(=O)CC(C)=O D70329 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.2 NC[C@@H](N)CC(=O)O D82928 [0,1,0,0,0,0|3,0,0]=4 193 B7R0.2 NC[C@@H](O)CC(=O)O 52129 [0,1,0,0,0,0|3,0,0]=4 194 B7R0.2 NC[C@@H](O)CC(=O)O 52130 [0,1,0,0,0,0|3,0,0]=4 195 B7R0.2 NC[C@@H](O)CC(=O)O AB3028 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.2 N[C@H](CO)CC(=O)O 27226 [0,1,0,0,0,0|3,0,0]=4 197 B7R0.3 C=CC(=O)NCCN S10694 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.3 C=CC(=O)NCCO D78367 [0,1,0,0,0,0|2,0,1]=4 199 B7R0.3 C=CC(=O)OCCO D78194 [0,1,0,0,0,0|1,0,1]=3 200 B7R0.3 C=CCOC(=O)C=C D88468 [0,1,0,0,0,0|0,0,3]=4 201 B7R0.3 C=CCOC(=O)CCl 76814 [0,1,0,0,0,0|0,0,2]=3 202 B7R0.3 C=CCOC(=O)OC H10625 [0,1,0,0,0,0|0,0,2]=3 203 B7R0.3 CCCCC(=O)CC D90783 [0,1,0,0,0,0|1,0,0]=2 204 B7R0.3 CCCCC(=O)NN 74164 [0,1,0,0,0,0|2,0,0]=3 205 B7R0.3 CCCC[C@H](Br)CBr D93164 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.3 CCCC[C@H](N)CO A11352 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.3 CCCC[C@H](N)CO N12322 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.3 CCCC[C@H](O)CO F11270 [0,1,0,0,0,0|1,0,2]=4 209 B7R0.3 CCCOC(=O)OC D83836 [0,1,0,0,0,0|0,0,0]=1 210 B7R0.3 CC\C=C\C(=O)OC S12000 [0,1,0,0,0,0|1,0,1]=3 211 B7R0.3 CNCCC(=O)NC 30723 [0,1,0,0,0,0|2,0,0]=3 212 B7R0.3 CNCCC(=O)OC 32388 [0,1,0,0,0,0|2,0,0]=3 213 B7R0.3 COC(=O)CCC#N 82641 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.3 COC(=O)CCC=O 63110 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.3 COC(=O)CCCBr S11981 [0,1,0,0,0,0|2,0,0]=3 216 B7R0.3 COC(=O)CCCCl 28856 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.3 COC(=O)CCCN 64233 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.3 COC(=O)\C=C\CBr F11439 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.3 COC(=O)\C=C\CBr O11933 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.3 CO\C=C\C(=O)OC D73879 [0,1,0,0,0,0|2,0,1]=4 221 B7R0.3 CO\C=C\C(=O)OC O11915 [0,1,0,0,0,0|2,0,1]=4 222 B7R0.4 C#CCCCC(=O)O F14123 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.4 C=CCCCC(=O)O D86337 [0,1,0,0,0,0|2,0,1]=4 224 B7R0.4 C=CCCOC(C)=O 74074 [0,1,0,0,0,0|0,0,1]=2 225 B7R0.4 CC(=O)CCCC#N D91224 [0,1,0,0,0,0|1,0,1]=3 226 B7R0.4 CC(=O)CCCCCl D89394 [0,1,0,0,0,0|1,0,0]=2 227 B7R0.4 CC(=O)OCCCCl 22019 [0,1,0,0,0,0|0,0,0]=1 228 B7R0.4 CC(=O)SCCCO D86667 [0,1,0,0,0,0|0,1,0]=2 229 B7R0.4 CC(C)CCCCO D94723 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.4 CC(C)NCCCO H11834 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.4 CCCCCC(=O)[O-] D82015 [0,1,0,0,0,0|2,0,0]=3 232 B7R0.4 CCCCCC(N)=O D89187 [0,1,0,0,0,0|2,0,0]=3 233 B7R0.4 CCCCC[C@H](C)N D90921 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.4 CCCCC[C@H](C)O D83253 [0,1,0,0,0,0|1,0,2]=4 235 B7R0.4 CCCCNC(N)=O D88864 [0,1,0,0,0,0|2,0,0]=3 236 B7R0.4 CCCCNC(N)=S T70321 [0,1,0,0,0,0|2,1,0]=4 237 B7R0.4 CCCCOC(=S)[S-] D82014 [0,1,0,0,0,0|1,1,0]=3 238 B7R0.4 CCCCOC(C)C D93400 [0,1,0,0,0,0|1,0,1]=3 239 B7R0.4 CCCCOC(N)=O D89279 [0,1,0,0,0,0|1,0,0]=2 240 B7R0.4 CCCCSC(C)=O 79049 [0,1,0,0,0,0|0,1,0]=2 241 B7R0.4 CCC\C=C\C(=O)O C10700 [0,1,0,0,0,0|2,0,0]=3 242 B7R0.4 CCC\C=C\C(C)=O F17581 [0,1,0,0,0,0|1,0,0]=2 243 B7R0.4 CCO\C=C\C(=O)O 30211 [0,1,0,0,0,0|2,0,1]=4 244 B7R0.4 CC\C=C\CC(=O)O D82088 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.4 CN(C)CCCCN 76925 [0,1,0,0,0,0|3,0,0]=4 246 B7R0.4 CNCCCC(=O)O 20515 [0,1,0,0,0,0|2,0,0]=3 247 B7R0.4 CNCCCC(=O)O AB7427 [0,1,0,0,0,0|2,0,0]=3 248 B7R0.4 CNCCCN(C)C D94649 [0,1,0,0,0,0|3,0,0]=4 249 B7R0.4 N#CCCCC(=O)O RB3314 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.4 NC(=O)COCCCl F15040 [0,1,0,0,0,0|2,0,0]=3 251 B7R0.4 NCCCCC(=O)O 76219 [0,1,0,0,0,0|2,0,0]=3 252 B7R0.4 NCCCCC(=O)O D78140 [0,1,0,0,0,0|2,0,0]=3 253 B7R0.4 NCCOCC(=O)O AT23391 [0,1,0,0,0,0|2,0,0]=3 254 B7R0.4 O=C(Cl)CCCCBr H11319 [0,1,0,0,0,0|2,0,0]=3 255 B7R0.4 O=C(Cl)CCCCCl D89459 [0,1,0,0,0,0|2,0,0]=3 256 B7R0.4 O=C(Cl)OCCCCl D89474 [0,1,0,0,0,0|1,0,0]=2 257 B7R0.4 O=C(O)CCCCBr 76255 [0,1,0,0,0,0|2,0,0]=3 258 B7R0.4 O=C(O)CCCCCl C10667 [0,1,0,0,0,0|2,0,0]=3 259 B7R0.4 O=C(O)CNCCO AB10154 [0,1,0,0,0,0|3,0,0]=4 260 B7R0.4 O=C(O)COCCCl 29961 [0,1,0,0,0,0|2,0,0]=3 261 B7R0.4 O=C([O-])CCCCO F13839 [0,1,0,0,0,0|2,0,0]=3 262 B7R0.5 CCCC(=O)C(C)C D91358 [0,1,0,0,0,0|2,0,1]=4 263 B7R0.5 CCCN(C)C(=O)Cl AC2466 [0,1,0,0,0,0|2,0,0]=3 264 B7R0.5 CCC[C@H](C)C(=O)O D78086 [0,1,0,0,0,0|2,0,0]=3 265 B7R0.5 CCC[C@H](N)C(=O)O 27282 [0,1,0,0,0,0|2,0,0]=3 266 B7R0.5 CCC[C@H](N)C(=O)O 73286 [0,1,0,0,0,0|2,0,0]=3 267 B7R0.5 CCC[C@H](N)C(=O)O D70899 [0,1,0,0,0,0|2,0,0]=3 268 B7R0.5 CCOC(=O)C(=O)O C75898 [0,1,0,0,0,0|3,0,0]=4 269 B7R0.5 CCOC(=O)C(=O)[O-] D90598 [0,1,0,0,0,0|3,0,0]=4 270 B7R0.5 CCOC(=O)C(C)=O D72526 [0,1,0,0,0,0|2,0,0]=3 271 B7R0.5 CCOC(=O)C(N)=O C13633 [0,1,0,0,0,0|3,0,0]=4 272 B7R0.5 CC\C=C(/C)C(=O)O D78175 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.5 COC[C@H](N)C(=O)O 23000 [0,1,0,0,0,0|3,0,0]=4 274 B7R0.5 COC[C@H](N)C(=O)O 23621 [0,1,0,0,0,0|3,0,0]=4 275 B7R0.5 COC[C@H](N)C(=O)O 25149 [0,1,0,0,0,0|3,0,0]=4 276 B7R0.5 COC[C@H](N)C(=O)O 52228 [0,1,0,0,0,0|3,0,0]=4 277 B7R0.5 COC[C@H](N)C(=O)O F10843 [0,1,0,0,0,0|3,0,0]=4 278 B7R0.5 CSC[C@H](N)C(=O)O FD21238 [0,1,0,0,0,0|3,0,0]=4 279 B7R0.5 NCC[C@H](N)C(=O)O 71083 [0,1,0,0,0,0|3,0,0]=4 280 B7R0.5 NCC[C@H](N)C(=O)O FD1067 [0,1,0,0,0,0|3,0,0]=4 281 B7R0.5 NCC[C@H](N)C(=O)O FD1073 [0,1,0,0,0,0|3,0,0]=4 282 B7R0.5 NCC[C@H](O)C(=O)O 28622 [0,1,0,0,0,0|3,0,0]=4 283 B7R0.5 NCC[C@H](O)C(=O)O O11154 [0,1,0,0,0,0|3,0,0]=4 284 B7R0.5 N[C@@H](CCBr)C(=O)O FD1268 [0,1,0,0,0,0|3,0,0]=4 285 B7R0.5 N[C@@H](CCO)C(=O)O 27335 [0,1,0,0,0,0|3,0,0]=4 286 B7R0.5 N[C@@H](CCO)C(=O)O FD1121 [0,1,0,0,0,0|3,0,0]=4 287 B7R0.5 N[C@@H](CCO)C(=O)O FD1124 [0,1,0,0,0,0|3,0,0]=4 288 B7R0.6 C=C(C)CCC(=O)O 80208 [0,1,0,0,0,0|2,0,1]=4 289 B7R0.6 C=C(C)COC(C)=O D88456 [0,1,0,0,0,0|0,0,1]=2 290 B7R0.6 CC(=O)CCC(=O)O D70802 [0,1,0,0,0,0|2,0,1]=4 291 B7R0.6 CC(=O)CCC(=O)[O-] H10799 [0,1,0,0,0,0|2,0,1]=4 292 B7R0.6 CC(=O)CCC(C)=O D71099 [0,1,0,0,0,0|1,0,1]=3 293 B7R0.6 CC(=O)CCN(C)C D82201 [0,1,0,0,0,0|2,0,0]=3 294 B7R0.6 CC(=O)CNC(C)=O 83215 [0,1,0,0,0,0|1,0,1]=3 295 B7R0.6 CC(=O)NCC(=O)O AC8343 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.6 CC(=O)NNC(C)=O D87230 [0,1,0,0,0,0|2,0,1]=4 297 B7R0.6 CC(=O)OCC(=O)Cl S12356 [0,1,0,0,0,0|1,0,1]=3 298 B7R0.6 CC(=O)OCC(=O)O D81772 [0,1,0,0,0,0|1,0,1]=3 299 B7R0.6 CC(=O)OCC(F)F F20444 [0,1,0,0,0,0|1,0,0]=2 300 B7R0.6 CC(=O)SCC(=O)O H12044 [0,1,0,0,0,0|1,1,1]=4 301 B7R0.6 CC(C)CCC(=O)O 28835 [0,1,0,0,0,0|2,0,0]=3 302 B7R0.6 CC(C)CC[C@H](C)O D91520 [0,1,0,0,0,0|1,0,2]=4 303 B7R0.6 CC(C)COC(=S)[S-] D97186 [0,1,0,0,0,0|1,1,0]=3 304 B7R0.6 CC(C)\C=C\C(=O)O D91297 [0,1,0,0,0,0|2,0,1]=4 305 B7R0.6 CC(O)CCC(C)O F17534 [0,1,0,0,0,0|1,0,2]=4 306 B7R0.6 CN(C)CCC(=O)O 30383 [0,1,0,0,0,0|3,0,0]=4 307 B7R0.6 CN(C)CCC(=O)O 35949 [0,1,0,0,0,0|3,0,0]=4 308 B7R0.6 C[C@H](O)CC[C@H](C)O T71918 [0,1,0,0,0,0|1,0,2]=4 309 B7R0.6 C[S+](C)CCC(=O)O 74954 [0,1,0,0,0,0|3,0,0]=4 310 B7R0.8 CC(C)(C)OCCO AT13966 [0,1,0,0,0,0|2,0,1]=4 311 B7R0.8 CCCCC(C)(C)O D91354 [0,1,0,0,0,0|1,0,2]=4 312 B7R0.8 CCCCS(=O)(=O)Cl D88706 [0,1,0,0,0,0|3,0,0]=4 313 B7R0.8 CCCCS(=O)(=O)[O-] F10017 [0,1,0,0,0,0|3,0,0]=4 314 B7R0.8 CCCC[N+](C)(C)C D89168 [0,1,0,0,0,0|3,0,0]=4 315 B7R0.8 CCCC[N+](C)(C)C D97448 [0,1,0,0,0,0|3,0,0]=4 316 B7R0.8 CCCC[Si](C)(C)Cl D88885 [0,1,0,0,0,0|2,1,0]=4 317 B7R0.8 CCCNS(N)(=O)=O C10960 [0,1,0,0,0,0|3,0,0]=4 318 B7R0.8 CCCNS([NH-])(=O)=O C10367 [0,1,0,0,0,0|3,0,0]=4 319 B7R0.8 CCCNS([NH-])(=O)=O F20455 [0,1,0,0,0,0|3,0,0]=4 320 B7R0.8 CCCOC(C)(C)C S11895 [0,1,0,0,0,0|1,0,1]=3 321 B7R0.8 CCCOS(C)(=O)=O D92166 [0,1,0,0,0,0|1,0,0]=2 322 B7R0.8 CNCCS(C)(=O)=O AR3755 [0,1,0,0,0,0|3,0,0]=4 323 B7R0.8 CS(=O)(=O)CCCO 29519 [0,1,0,0,0,0|3,0,0]=4 324 B7R0.8 CS(=O)(=O)NCCN AR2420 [0,1,0,0,0,0|3,0,0]=4 325 B7R0.8 CS(=O)(=O)OCCCl H11355 [0,1,0,0,0,0|2,0,0]=3 326 B7R0.8 NCCOP(=O)(O)O P50005 [0,1,0,0,0,0|3,0,0]=4 327 B7R0.8 NCCOS(=O)(=O)O D71117 [0,1,0,0,0,0|3,0,0]=4 328 B7R1.2 CC1=CC(=O)CC1 H10654 [0,0,0,1,0,0|1,0,2]=4 329 B7R1.2 CC1=CC(C)=NO1 75710 [0,0,0,1,0,0|2,0,1]=4 330 B7R1.2 CC1=COC(C)=N1 T71266 [0,0,0,1,0,0|1,0,2]=4 331 B7R1.2 CC1=NNC(=O)C1 AC8022 [0,0,0,1,0,0|2,0,1]=4 332 B7R1.2 CC1CCC(C)N1 D96806 [0,0,0,1,0,0|2,0,1]=4 333 B7R1.2 CC1COS(=O)O1 D91602 [0,0,0,1,0,0|2,0,0]=3 334 B7R1.2 C[C@@H]1CNC(=O)C1 P10078 [0,0,0,1,0,0|1,0,0]=2 335 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [0,0,0,1,0,0|1,0,0]=2 336 B7R1.2 C[C@H]1CCC(=O)N1 D72848 [0,0,0,1,0,0|2,0,0]=3 337 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [0,0,0,1,0,0|2,0,0]=3 338 B7R1.2 C[C@H]1COC(=O)O1 28658 [0,0,0,1,0,0|1,0,0]=2 339 B7R1.2 N[C@@H]1CNC(=O)C1 38799 [0,0,0,1,0,0|2,0,0]=3 340 B7R1.2 N[C@@H]1CNC(=O)C1 SC5061 [0,0,0,1,0,0|2,0,0]=3 341 B7R1.2 N[C@@H]1COC(=O)C1 FD1172 [0,0,0,1,0,0|1,0,0]=2 342 B7R1.2 O=C1C=C[C@@H](O)C1 11013 [0,0,0,1,0,0|2,0,1]=4 343 B7R1.2 O=C1CCC(=O)C1 23085 [0,0,0,1,0,0|2,0,1]=4 344 B7R1.2 O=C1COC(=O)C1 T72521 [0,0,0,1,0,0|1,0,1]=3 345 B7R1.2 O=C1C[C@H](O)CN1 26280 [0,0,0,1,0,0|2,0,0]=3 346 B7R1.2 O=C1C[C@H](O)CN1 62393 [0,0,0,1,0,0|2,0,0]=3 347 B7R1.2 O=C1C[C@H](O)CN1 62394 [0,0,0,1,0,0|2,0,0]=3 348 B7R1.2 O=C1C[C@H](O)CO1 H11711 [0,0,0,1,0,0|1,0,0]=2 349 B7R1.2 O=C1OC[C@H](Cl)O1 C13865 [0,0,0,1,0,0|2,0,0]=3 350 B7R1.2 O=C1OC[C@H](F)O1 FD2018 [0,0,0,1,0,0|2,0,0]=3 351 B7R1.3 BrC1=CCCCC1 N12373 [0,0,0,1,0,0|2,0,0]=3 352 B7R1.3 BrC1CCCCC1 P19773 [0,0,0,1,0,0|2,0,1]=4 353 B7R1.3 CC1=CCCCC1 H10759 [0,0,0,1,0,0|2,0,0]=3 354 B7R1.3 CC1=CCCNC1 39250 [0,0,0,1,0,0|3,0,0]=4 355 B7R1.3 CC1=CCNCC1 39249 [0,0,0,1,0,0|3,0,0]=4 356 B7R1.3 CC1SCCCS1 D75611 [0,0,0,1,0,0|0,2,1]=4 357 B7R1.3 C[C@H]1CCCCN1 64251 [0,0,0,1,0,0|2,0,1]=4 358 B7R1.3 C[C@H]1CCCCN1 64253 [0,0,0,1,0,0|2,0,1]=4 359 B7R1.3 C[C@H]1CNCCO1 27675 [0,0,0,1,0,0|2,0,1]=4 360 B7R1.3 C[C@H]1CNCCO1 F13092 [0,0,0,1,0,0|2,0,1]=4 361 B7R1.3 IC1CCCCC1 F20359 [0,0,0,1,0,0|2,0,1]=4 362 B7R1.3 NN1CCCCC1 77856 [0,0,0,1,0,0|3,0,0]=4 363 B7R1.3 NN1CCCCC1 78303 [0,0,0,1,0,0|3,0,0]=4 364 B7R1.3 O=C1C=CCCO1 71011 [0,0,0,1,0,0|0,0,2]=3 365 B7R1.3 O=C1CCCCN1 F10312 [0,0,0,1,0,0|1,0,0]=2 366 B7R1.3 O=C1CCCCO1 20506 [0,0,0,1,0,0|0,0,0]=1 367 B7R1.3 O=C1CCCNC1 36189 [0,0,0,1,0,0|2,0,0]=3 368 B7R1.3 O=C1CCCNC1 65124 [0,0,0,1,0,0|2,0,0]=3 369 B7R1.3 O=C1CCCOC1 67990 [0,0,0,1,0,0|2,0,0]=3 370 B7R1.3 O=C1CCCSC1 38182 [0,0,0,1,0,0|2,0,0]=3 371 B7R1.3 O=C1CCNCC1 AB2978 [0,0,0,1,0,0|2,0,0]=3 372 B7R1.3 O=C1CCNCC1 AB7716 [0,0,0,1,0,0|2,0,0]=3 373 B7R1.3 O=C1CCOCC1 28100 [0,0,0,1,0,0|2,0,0]=3 374 B7R1.3 O=C1CCSCC1 34742 [0,0,0,1,0,0|2,0,0]=3 375 B7R1.3 O=C1CNCCN1 65258 [0,0,0,1,0,0|2,0,0]=3 376 B7R1.3 O=C1COCCN1 35814 [0,0,0,1,0,0|2,0,0]=3 377 B7R1.3 O=C1COCCO1 39291 [0,0,0,1,0,0|1,0,0]=2 378 B7R1.3 O=C1NCCCN1 F14817 [0,0,0,1,0,0|2,0,0]=3 379 B7R1.3 O=C1NCCCO1 30441 [0,0,0,1,0,0|1,0,0]=2 380 B7R1.3 O=C1OCCCO1 F20507 [0,0,0,1,0,0|1,0,0]=2 381 B7R1.3 O=S1CCNCC1 C10519 [0,0,0,1,0,0|3,0,0]=4 382 B7R1.3 O=S1OCCCO1 D90284 [0,0,0,1,0,0|2,0,0]=3 383 B7R1.3 ON1CCCCC1 65654 [0,0,0,1,0,0|2,0,1]=4 384 B7R1.3 O[C@@H]1CCCCO1 F19855 [0,0,0,1,0,0|0,0,2]=3 385 B7R1.3 S=C1NCCCN1 D97545 [0,0,0,1,0,0|2,1,0]=4 386 B7R1.10 N#CC1CC(=O)C1 84170 [0,0,0,1,0,0|2,0,1]=4 387 B7R1.10 NCC1CC(=O)C1 38380 [0,0,0,1,0,0|2,0,0]=3 388 B7R1.10 O=C1CC(CO)C1 P11065 [0,0,0,1,0,0|2,0,0]=3 389 B7R1.12 O=C(O)C1CC1F CS2163 [0,0,0,1,0,0|3,0,0]=4 390 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1221 [0,0,0,1,0,0|3,0,0]=4 391 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1224 [0,0,0,1,0,0|3,0,0]=4 392 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS2019 [0,0,0,1,0,0|3,0,0]=4 393 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS1503 [0,0,0,1,0,0|3,0,0]=4 394 B7R1.14 CC1(O)CCCC1 35177 [0,0,0,1,0,0|1,0,2]=4 395 B7R1.14 N=S1(=O)CCCC1 W16224 [0,0,0,1,0,0|3,0,0]=4 396 B7R1.14 O=P1(Cl)OCCO1 23130 [0,0,0,1,0,0|3,0,0]=4 397 B7R1.14 O=S1(=O)CCCC1 D78046 [0,0,0,1,0,0|3,0,0]=4 398 B7R1.14 O=S1(=O)CCCN1 P10768 [0,0,0,1,0,0|3,0,0]=4 399 B7R1.14 O=S1(=O)OCCO1 30290 [0,0,0,1,0,0|3,0,0]=4 400 B7R1.18 CC(=O)C1CCC1 P15299 [0,0,0,1,0,0|1,0,0]=2 401 B7R1.18 C[C@H](O)C1CCC1 24983 [0,0,0,1,0,0|1,0,2]=4 402 B7R1.18 C[C@H](O)C1CCC1 P18048 [0,0,0,1,0,0|1,0,2]=4 403 B7R1.18 N=C(N)C1CCC1 29597 [0,0,0,1,0,0|3,0,0]=4 404 B7R1.18 NC(=O)C1CNC1 27669 [0,0,0,1,0,0|3,0,0]=4 405 B7R1.18 NC(=O)C1CNC1 37074 [0,0,0,1,0,0|3,0,0]=4 406 B7R1.18 O=C(Cl)C1CCC1 D87747 [0,0,0,1,0,0|2,0,0]=3 407 B7R1.18 O=C(O)C1CCC1 59526 [0,0,0,1,0,0|2,0,0]=3 408 B7R1.18 O=C(O)C1CNC1 56245 [0,0,0,1,0,0|3,0,0]=4 409 B7R1.18 O=C(O)C1CNC1 67857 [0,0,0,1,0,0|3,0,0]=4 410 B7R1.18 O=C(O)[C@@H]1CCN1 20950 [0,0,0,1,0,0|3,0,0]=4 411 B7R1.18 O=C(O)[C@@H]1CCN1 20951 [0,0,0,1,0,0|3,0,0]=4 412 B7R1.18 O=C(O)[C@@H]1CCN1 24715 [0,0,0,1,0,0|3,0,0]=4 413 B7R1.18 O=C(O)[C@@H]1CCN1 57406 [0,0,0,1,0,0|3,0,0]=4 414 B7R1.18 O=C(O)[C@@H]1CCN1 66104 [0,0,0,1,0,0|3,0,0]=4 415 B7R1.20 O=C(O)CC1CC1 CL4520 [0,0,0,1,0,0|2,0,0]=3 416 B4R0.1 C#CC(C)=O F52495 [2,0,0,0,0,0|0,0,2]=4 417 B4R0.1 C=C(C)CBr 29319 [2,0,0,0,0,0|2,0,0]=4 418 B4R0.1 C=C(C)CN 29496 [2,0,0,0,0,0|2,0,0]=4 419 B4R0.1 C=C(C)CO H10780 [2,0,0,0,0,0|2,0,0]=4 420 B4R0.1 CC(=O)CBr 76485 [2,0,0,0,0,0|1,0,0]=3 421 B4R0.1 CC(=O)CN 24448 [2,0,0,0,0,0|1,0,0]=3 422 B4R0.1 CC(=O)NBr 70825 [2,0,0,0,0,0|2,0,0]=4 423 B4R0.1 CC(=O)NN AB6005 [2,0,0,0,0,0|2,0,0]=4 424 B4R0.1 CC(=O)NO 78370 [2,0,0,0,0,0|2,0,0]=4 425 B4R0.1 CCC(=N)N 65202 [2,0,0,0,0,0|2,0,0]=4 426 B4R0.1 CCC(N)=O O12053 [2,0,0,0,0,0|1,0,0]=3 427 B4R0.1 CCC(N)=S AT14776 [2,0,0,0,0,0|1,1,0]=4 428 B4R0.1 CC[C@H](C)O 70716 [2,0,0,0,0,0|0,0,2]=4 429 B4R0.1 CC[C@H](C)O 70832 [2,0,0,0,0,0|0,0,2]=4 430 B4R0.1 CC[S@](=O)[O-] F16489 [2,0,0,0,0,0|2,0,0]=4 431 B4R0.1 CNC(=O)Cl D81983 [2,0,0,0,0,0|2,0,0]=4 432 B4R0.1 CNC(N)=O AC8061 [2,0,0,0,0,0|2,0,0]=4 433 B4R0.1 COC(=N)N F11253 [2,0,0,0,0,0|2,0,0]=4 434 B4R0.1 COC(=N)N F14927 [2,0,0,0,0,0|2,0,0]=4 435 B4R0.1 COC(=N)N I11503 [2,0,0,0,0,0|2,0,0]=4 436 B4R0.1 COC(N)=O D86342 [2,0,0,0,0,0|1,0,0]=3 437 B4R0.1 CSC(C)=O D82067 [2,0,0,0,0,0|0,1,0]=3 438 B4R0.1 NC(=O)CBr 35276 [2,0,0,0,0,0|2,0,0]=4 439 B4R0.1 NC(=O)CI 25452 [2,0,0,0,0,0|2,0,0]=4 440 B4R0.1 NC(=O)CO D77798 [2,0,0,0,0,0|2,0,0]=4 441 B4R0.1 NCC(=O)O D70890 [2,0,0,0,0,0|2,0,0]=4 442 B4R0.1 NCC(=O)O F21278 [2,0,0,0,0,0|2,0,0]=4 443 B4R0.1 NCC(=O)[O-] D70403 [2,0,0,0,0,0|2,0,0]=4 444 B4R0.1 NCC(=O)[O-] D77927 [2,0,0,0,0,0|2,0,0]=4 445 B4R0.1 NCC(=O)[O-] D84274 [2,0,0,0,0,0|2,0,0]=4 446 B4R0.1 NCC(=O)[O-] D95398 [2,0,0,0,0,0|2,0,0]=4 447 B4R0.1 NCC(N)=O 20652 [2,0,0,0,0,0|2,0,0]=4 448 B4R0.1 NCC(N)=O 58529 [2,0,0,0,0,0|2,0,0]=4 449 B4R0.1 O=C(Cl)CBr D87897 [2,0,0,0,0,0|2,0,0]=4 450 B4R0.1 O=C(O)CO D78078 [2,0,0,0,0,0|2,0,0]=4 451 B4R0.2 C#CCOC AT19953 [2,0,0,0,0,0|0,0,2]=4 452 B4R0.2 C=CCCBr D78125 [2,0,0,0,0,0|1,0,1]=4 453 B4R0.2 C=CCCC FD10489 [2,0,0,0,0,0|0,0,1]=3 454 B4R0.2 C=CCCCl 43989 [2,0,0,0,0,0|1,0,1]=4 455 B4R0.2 C=CCCN 68196 [2,0,0,0,0,0|1,0,1]=4 456 B4R0.2 C=CCCO P16638 [2,0,0,0,0,0|1,0,1]=4 457 B4R0.2 C=CCNC F21270 [2,0,0,0,0,0|1,0,1]=4 458 B4R0.2 C=CCOC D88491 [2,0,0,0,0,0|0,0,2]=4 459 B4R0.2 C=CCSC D88380 [2,0,0,0,0,0|1,0,1]=4 460 B4R0.2 C=COCC P19610 [2,0,0,0,0,0|0,0,1]=3 461 B4R0.2 CCCNC A10770 [2,0,0,0,0,0|1,0,0]=3 462 B4R0.2 CCCNN C10870 [2,0,0,0,0,0|2,0,0]=4 463 B4R0.2 CCNC=O F19558 [2,0,0,0,0,0|1,0,0]=3 464 B4R0.2 CCNCC D78025 [2,0,0,0,0,0|1,0,1]=4 465 B4R0.2 CCNCC D89842 [2,0,0,0,0,0|1,0,1]=4 466 B4R0.2 CCNCC D90318 [2,0,0,0,0,0|1,0,1]=4 467 B4R0.2 CCNOC D80678 [2,0,0,0,0,0|1,0,0]=3 468 B4R0.2 CCOCCl D89215 [2,0,0,0,0,0|1,0,1]=4 469 B4R0.2 CNCCBr F13405 [2,0,0,0,0,0|2,0,0]=4 470 B4R0.2 CNCCCl 71064 [2,0,0,0,0,0|2,0,0]=4 471 B4R0.2 CNCCN D76853 [2,0,0,0,0,0|2,0,0]=4 472 B4R0.2 CNCCN SC1801 [2,0,0,0,0,0|2,0,0]=4 473 B4R0.2 COCC#N 35354 [2,0,0,0,0,0|1,0,1]=4 474 B4R0.2 COCCBr P19803 [2,0,0,0,0,0|1,0,0]=3 475 B4R0.2 COCCN F14847 [2,0,0,0,0,0|1,0,0]=3 476 B4R0.2 CSCCBr 79497 [2,0,0,0,0,0|1,1,0]=4 477 B4R0.2 CSCCO 28828 [2,0,0,0,0,0|1,1,0]=4 478 B4R0.2 CSCSC D88765 [2,0,0,0,0,0|1,1,0]=4 479 B4R0.2 C\C=C/CC D91891 [2,0,0,0,0,0|0,0,1]=3 480 B4R0.2 C\C=C\OC 28751 [2,0,0,0,0,0|0,0,2]=4 481 B4R0.2 NCCON SC1781 [2,0,0,0,0,0|2,0,0]=4 482 B4R0.2 NOCCO 32348 [2,0,0,0,0,0|2,0,0]=4 483 B6R0.1 C#CC(=O)OCC 35931 [1,1,0,0,0,0|0,0,1]=3 484 B6R0.1 C=CC(=O)NCC AB9195 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.1 C=CCC(=O)OC F15018 [1,1,0,0,0,0|0,0,2]=4 486 B6R0.1 C=COC(=O)CCl D95397 [1,1,0,0,0,0|0,0,2]=4 487 B6R0.1 CC#CC(=O)OC D73343 [1,1,0,0,0,0|0,0,2]=4 488 B6R0.1 CCC(=O)CC#N 28991 [1,1,0,0,0,0|1,0,1]=4 489 B6R0.1 CCCC(=O)CC D90801 [1,1,0,0,0,0|0,0,0]=2 490 B6R0.1 CCCC(=O)NN O11707 [1,1,0,0,0,0|1,0,0]=3 491 B6R0.1 CCCC(=O)SC D91533 [1,1,0,0,0,0|0,0,0]=2 492 B6R0.1 CCC[C@@H](Cl)CC D76318 [1,1,0,0,0,0|1,0,1]=4 493 B6R0.1 CCC[C@H](C)CCl D89415 [1,1,0,0,0,0|1,0,1]=4 494 B6R0.1 CCC[C@H](N)CO A10468 [1,1,0,0,0,0|1,0,1]=4 495 B6R0.1 CCC[C@H](O)CO 73676 [1,1,0,0,0,0|0,0,2]=4 496 B6R0.1 CCOC(=N)CC W15737 [1,1,0,0,0,0|1,0,0]=3 497 B6R0.1 CCOC(=O)CN C93496 [1,1,0,0,0,0|0,0,0]=2 498 B6R0.1 CCOC(=O)CO 39380 [1,1,0,0,0,0|0,0,0]=2 499 B6R0.1 CCOC(=O)CS F21271 [1,1,0,0,0,0|0,0,0]=2 500 B6R0.1 CCOC(=O)NC D91332 [1,1,0,0,0,0|0,0,0]=2 501 B6R0.1 CCOC(=O)NN D77690 [1,1,0,0,0,0|1,0,0]=3 502 B6R0.1 CCOC(=O)OC A11149 [1,1,0,0,0,0|0,0,0]=2 503 B6R0.1 CCO[C@@H](C)CC D88933 [1,1,0,0,0,0|1,0,1]=4 504 B6R0.1 CCO\C(C)=N\O 23036 [1,1,0,0,0,0|0,0,1]=3 505 B6R0.1 CCO\C(C)=N\O H10740 [1,1,0,0,0,0|0,0,1]=3 506 B6R0.1 CN(C=O)CCO AC2477 [1,1,0,0,0,0|2,0,0]=4 507 B6R0.1 CNC(=O)CC#N 23669 [1,1,0,0,0,0|1,0,1]=4 508 B6R0.1 CNCC(=O)NC 71568 [1,1,0,0,0,0|1,0,0]=3 509 B6R0.1 CNCC(=O)OC 73733 [1,1,0,0,0,0|1,0,0]=3 510 B6R0.1 COC(=O)CC#N D77797 [1,1,0,0,0,0|1,0,1]=4 511 B6R0.1 COC(=O)CCBr AB7483 [1,1,0,0,0,0|1,0,0]=3 512 B6R0.1 COC(=O)CCCl D95821 [1,1,0,0,0,0|1,0,0]=3 513 B6R0.1 COC(=O)CCN S12362 [1,1,0,0,0,0|1,0,0]=3 514 B6R0.1 COC(=O)CCO 29940 [1,1,0,0,0,0|1,0,0]=3 515 B6R0.1 COC(=O)CCS D70327 [1,1,0,0,0,0|1,0,0]=3 516 B6R0.1 COC(=O)CSC D87959 [1,1,0,0,0,0|1,0,0]=3 517 B6R0.1 COCC(=O)NN F14662 [1,1,0,0,0,0|2,0,0]=4 518 B6R0.1 CONC(=O)OC D81547 [1,1,0,0,0,0|2,0,0]=4 519 B6R0.1 C\C=C\C(=O)CC 74326 [1,1,0,0,0,0|0,0,2]=4 520 B6R0.1 O=C(CCl)NCO O10755 [1,1,0,0,0,0|2,0,0]=4 521 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [1,1,0,0,0,0|1,0,1]=4 522 B6R0.2 CC(=O)NC(C)=O D97387 [1,1,0,0,0,0|1,0,1]=4 523 B6R0.2 CC(=O)NC(C)C N12028 [1,1,0,0,0,0|1,0,0]=3 524 B6R0.2 CC(=O)O[C@H](C)Br 39292 [1,1,0,0,0,0|0,0,0]=2 525 B6R0.2 CC(=O)SC(C)=O T70772 [1,1,0,0,0,0|0,1,1]=4 526 B6R0.2 CC(=O)[CH-]C(C)=O D78375 [1,1,0,0,0,0|0,0,2]=4 527 B6R0.2 CC(=O)[CH-]C(C)=O D82020 [1,1,0,0,0,0|0,0,2]=4 528 B6R0.2 CC(=O)[CH-]C(C)=O D82093 [1,1,0,0,0,0|0,0,2]=4 529 B6R0.2 CC(=O)[CH-]C(C)=O D82100 [1,1,0,0,0,0|0,0,2]=4 530 B6R0.2 CC(=O)[CH-]C(C)=O D88949 [1,1,0,0,0,0|0,0,2]=4 531 B6R0.2 CC(=O)\C=C(/C)[O-] E70001 [1,1,0,0,0,0|0,0,2]=4 532 B6R0.2 CC(=O)\C=C(\C)N A11050 [1,1,0,0,0,0|0,0,2]=4 533 B6R0.2 CC(=O)\C=C(\C)[O-] AC1284 [1,1,0,0,0,0|0,0,2]=4 534 B6R0.2 CC(=O)\C=C(\C)[O-] D70887 [1,1,0,0,0,0|0,0,2]=4 535 B6R0.2 CC(=O)\C=C(\C)[O-] D80380 [1,1,0,0,0,0|0,0,2]=4 536 B6R0.2 CC(=O)\C=C(\C)[O-] D91066 [1,1,0,0,0,0|0,0,2]=4 537 B6R0.2 CC(=O)\C=C(\C)[O-] D92375 [1,1,0,0,0,0|0,0,2]=4 538 B6R0.2 CC(=O)\C=C(\C)[O-] H10683 [1,1,0,0,0,0|0,0,2]=4 539 B6R0.2 CC(=O)\C=C(\C)[O-] H10696 [1,1,0,0,0,0|0,0,2]=4 540 B6R0.2 CC(=O)\C=C(\C)[O-] H11255 [1,1,0,0,0,0|0,0,2]=4 541 B6R0.2 CC(=O)\C=C(\C)[O-] H11309 [1,1,0,0,0,0|0,0,2]=4 542 B6R0.2 CC(=O)\C=C(\C)[O-] T70257 [1,1,0,0,0,0|0,0,2]=4 543 B6R0.2 CC(C)CC(=O)O D78213 [1,1,0,0,0,0|1,0,0]=3 544 B6R0.2 CC(C)C[C@H](C)N 40017 [1,1,0,0,0,0|1,0,1]=4 545 B6R0.2 CC(C)OC(=S)[S-] D91095 [1,1,0,0,0,0|1,1,0]=4 546 B6R0.2 CC(C)OC(N)=O D81825 [1,1,0,0,0,0|1,0,0]=3 547 B6R0.2 CC(O)CC(C)O D91996 [1,1,0,0,0,0|0,0,2]=4 548 B6R0.2 CN(C)CC(=O)Cl A50815 [1,1,0,0,0,0|2,0,0]=4 549 B6R0.2 CN(C)CC(=O)O 28781 [1,1,0,0,0,0|2,0,0]=4 550 B6R0.2 CN(C)CC(=O)O 73674 [1,1,0,0,0,0|2,0,0]=4 551 B6R0.2 C[C@H](Cl)CC(=O)Cl AC1766 [1,1,0,0,0,0|1,0,0]=3 552 B6R0.2 C[C@H](Cl)CC(=O)O D89206 [1,1,0,0,0,0|1,0,0]=3 553 B6R0.2 C[C@H](Cl)OC(=O)Cl D78332 [1,1,0,0,0,0|1,0,0]=3 554 B6R0.2 C[C@H](N)CC(=O)O 62356 [1,1,0,0,0,0|1,0,0]=3 555 B6R0.2 C[C@H](N)CC(=O)O 62357 [1,1,0,0,0,0|1,0,0]=3 556 B6R0.2 C[C@H](N)CC(=O)O 62358 [1,1,0,0,0,0|1,0,0]=3 557 B6R0.2 C[C@H](N)CC(=O)O 62359 [1,1,0,0,0,0|1,0,0]=3 558 B6R0.2 C[C@H](N)CC(=O)O 62363 [1,1,0,0,0,0|1,0,0]=3 559 B6R0.2 C[C@H](N)CN(C)C 76719 [1,1,0,0,0,0|2,0,0]=4 560 B6R0.2 C[C@H](O)CC(=O)O D84191 [1,1,0,0,0,0|1,0,0]=3 561 B6R0.2 C[C@H](O)CC(=O)O O10175 [1,1,0,0,0,0|1,0,0]=3 562 B6R0.2 C[C@H](O)CC(=O)[O-] 23392 [1,1,0,0,0,0|1,0,0]=3 563 B6R0.2 C[C@H](O)CC(=O)[O-] H10236 [1,1,0,0,0,0|1,0,0]=3 564 B6R0.2 C[C@H](O)CN(C)C D93027 [1,1,0,0,0,0|2,0,0]=4 565 B6R0.2 C[C@H](O)C[C@H](C)O 73920 [1,1,0,0,0,0|0,0,2]=4 566 B6R0.2 C[C@H](O)C[C@H](C)O D74604 [1,1,0,0,0,0|0,0,2]=4 567 B6R0.2 C[C@H](O)C[C@H](C)O T72451 [1,1,0,0,0,0|0,0,2]=4 568 B6R0.3 CC(=O)C(=O)CBr 23277 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.3 CC(=O)[C@H](C)C#N 50820 [1,1,0,0,0,0|1,0,1]=4 570 B6R0.3 CCC(=O)C(=O)O O10846 [1,1,0,0,0,0|1,0,1]=4 571 B6R0.3 CCC(=O)C(=O)[O-] TD8090 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.3 CCC(O)C(C)O D93064 [1,1,0,0,0,0|0,0,2]=4 573 B6R0.3 CCN(C)C(=O)Cl F20387 [1,1,0,0,0,0|2,0,0]=4 574 B6R0.3 CC[C@H](Br)C(=O)Br D88666 [1,1,0,0,0,0|1,0,0]=3 575 B6R0.3 CC[C@H](Br)C(=O)Cl D89047 [1,1,0,0,0,0|1,0,0]=3 576 B6R0.3 CC[C@H](Br)C(=O)O P18633 [1,1,0,0,0,0|1,0,0]=3 577 B6R0.3 CC[C@H](Br)C(=O)O P18634 [1,1,0,0,0,0|1,0,0]=3 578 B6R0.3 CC[C@H](Br)C(N)=O F30757 [1,1,0,0,0,0|1,0,0]=3 579 B6R0.3 CC[C@H](C)C(=O)O 88657 [1,1,0,0,0,0|1,0,0]=3 580 B6R0.3 CC[C@H](C)C(=O)O 88663 [1,1,0,0,0,0|1,0,0]=3 581 B6R0.3 CC[C@H](Cl)C(=O)O D89205 [1,1,0,0,0,0|1,0,0]=3 582 B6R0.3 CC[C@H](N)C(=O)O 11781 [1,1,0,0,0,0|1,0,0]=3 583 B6R0.3 CC[C@H](N)C(=O)O 23105 [1,1,0,0,0,0|1,0,0]=3 584 B6R0.3 CC[C@H](N)C(=O)O 25309 [1,1,0,0,0,0|1,0,0]=3 585 B6R0.3 CC[C@H](N)C(=O)O 80046 [1,1,0,0,0,0|1,0,0]=3 586 B6R0.3 CC[C@H](N)C(N)=O F11533 [1,1,0,0,0,0|1,0,0]=3 587 B6R0.3 CC[C@H](N)[C@@H](C)O D79477 [1,1,0,0,0,0|0,0,2]=4 588 B6R0.3 CC[C@H](O)C(=O)O 24676 [1,1,0,0,0,0|1,0,0]=3 589 B6R0.3 CC[C@H](O)C(=O)O A11368 [1,1,0,0,0,0|1,0,0]=3 590 B6R0.3 CC[C@H](O)C(=O)O D90822 [1,1,0,0,0,0|1,0,0]=3 591 B6R0.3 CC[C@H](O)C(=O)[O-] S10336 [1,1,0,0,0,0|1,0,0]=3 592 B6R0.3 CC[C@H](O)C(=O)[O-] S10400 [1,1,0,0,0,0|1,0,0]=3 593 B6R0.3 CN[C@@H](C)C(=O)O 28475 [1,1,0,0,0,0|2,0,0]=4 594 B6R0.3 CN[C@@H](C)C(=O)O FD21004 [1,1,0,0,0,0|2,0,0]=4 595 B6R0.3 CN[C@@H](C)C(=O)O FD21006 [1,1,0,0,0,0|2,0,0]=4 596 B6R0.3 CON(C)C(C)=O O12025 [1,1,0,0,0,0|2,0,0]=4 597 B6R0.3 CO[C@@H](C)C(=O)O 25435 [1,1,0,0,0,0|2,0,0]=4 598 B6R0.3 CO[C@@H](C)C(=O)O 77786 [1,1,0,0,0,0|2,0,0]=4 599 B6R0.3 CO[C@@H](C)C(=O)O CS1158 [1,1,0,0,0,0|2,0,0]=4 600 B6R0.3 C[C@@H](CBr)C(=O)O A10794 [1,1,0,0,0,0|2,0,0]=4 601 B6R0.3 C[C@@H](CN)C(=O)O 22851 [1,1,0,0,0,0|2,0,0]=4 602 B6R0.3 C[C@@H](CN)C(=O)O 52204 [1,1,0,0,0,0|2,0,0]=4 603 B6R0.3 C[C@@H](CS)C(=O)O D91461 [1,1,0,0,0,0|2,0,0]=4 604 B6R0.3 NC(=O)[C@@H](Br)CBr D95258 [1,1,0,0,0,0|2,0,0]=4 605 B6R0.3 NC(=O)[C@@H](Cl)CCl D89971 [1,1,0,0,0,0|2,0,0]=4 606 B6R0.3 NC(=O)[C@@H](N)CO 71065 [1,1,0,0,0,0|2,0,0]=4 607 B6R0.3 NC(=O)[C@@H](N)CO FD3061 [1,1,0,0,0,0|2,0,0]=4 608 B6R0.3 NC[C@H](N)C(=O)O 22838 [1,1,0,0,0,0|2,0,0]=4 609 B6R0.3 NC[C@H](N)C(=O)O 51944 [1,1,0,0,0,0|2,0,0]=4 610 B6R0.3 NC[C@H](N)C(=O)O 51945 [1,1,0,0,0,0|2,0,0]=4 611 B6R0.3 NC[C@H](N)C(=O)O FD1046 [1,1,0,0,0,0|2,0,0]=4 612 B6R0.3 NC[C@H](O)C(=O)O 50049 [1,1,0,0,0,0|2,0,0]=4 613 B6R0.3 NC[C@H](O)C(=O)O C10711 [1,1,0,0,0,0|2,0,0]=4 614 B6R0.3 N[C@@H](CCl)C(=O)O 77992 [1,1,0,0,0,0|2,0,0]=4 615 B6R0.3 N[C@@H](CCl)C(=O)O F11547 [1,1,0,0,0,0|2,0,0]=4 616 B6R0.3 N[C@@H](CCl)C(=O)O FD21123 [1,1,0,0,0,0|2,0,0]=4 617 B6R0.3 N[C@@H](CO)C(=O)O 29580 [1,1,0,0,0,0|2,0,0]=4 618 B6R0.3 N[C@@H](CO)C(=O)O 30744 [1,1,0,0,0,0|2,0,0]=4 619 B6R0.3 N[C@@H](CO)C(=O)O D70822 [1,1,0,0,0,0|2,0,0]=4 620 B6R0.3 N[C@@H](CS)C(=O)O 22868 [1,1,0,0,0,0|2,0,0]=4 621 B6R0.3 N[C@@H](CS)C(=O)O 24506 [1,1,0,0,0,0|2,0,0]=4 622 B6R0.3 N[C@@H](CS)C(=O)O 37900 [1,1,0,0,0,0|2,0,0]=4 623 B6R0.3 N[C@@H](CS)C(=O)O AC8040 [1,1,0,0,0,0|2,0,0]=4 624 B6R0.3 N[C@@H](CS)C(=O)O E72644 [1,1,0,0,0,0|2,0,0]=4 625 B6R0.3 N[C@@H](CS)C(=O)O FD21265 [1,1,0,0,0,0|2,0,0]=4 626 B6R0.3 N[C@@H](CS)C(=O)O FD21267 [1,1,0,0,0,0|2,0,0]=4 627 B6R0.3 N[C@@H](CS)C(=O)O FD21272 [1,1,0,0,0,0|2,0,0]=4 628 B6R0.3 N[C@@H](CS)C(=O)O FD3010 [1,1,0,0,0,0|2,0,0]=4 629 B6R0.3 O=C(Cl)[C@@H](Br)CBr D78346 [1,1,0,0,0,0|2,0,0]=4 630 B6R0.3 O=C(O)[C@@H](Br)CBr O10565 [1,1,0,0,0,0|2,0,0]=4 631 B6R0.3 O=C(O)[C@@H](Br)CO AB10178 [1,1,0,0,0,0|2,0,0]=4 632 B6R0.3 O=C(O)[C@@H](Cl)CCl D89648 [1,1,0,0,0,0|2,0,0]=4 633 B6R0.3 O=C(O)[C@@H](O)CO A51166 [1,1,0,0,0,0|2,0,0]=4 634 B6R0.5 CCCC(C)(C)Cl H10235 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.5 CCCS(=O)(=O)Cl N10374 [1,1,0,0,0,0|2,0,0]=4 636 B6R0.5 CCCS(=O)(=O)[O-] D91948 [1,1,0,0,0,0|2,0,0]=4 637 B6R0.5 CCCS(N)(=O)=O W12497 [1,1,0,0,0,0|2,0,0]=4 638 B6R0.5 CCOS(C)(=O)=O H10715 [1,1,0,0,0,0|1,0,0]=3 639 B6R0.5 CS(=O)(=O)CCCl 72256 [1,1,0,0,0,0|2,0,0]=4 640 B6R0.5 CS(=O)(=O)CCN AR2651 [1,1,0,0,0,0|2,0,0]=4 641 B6R0.5 CS(=O)(=O)CCN C77681 [1,1,0,0,0,0|2,0,0]=4 642 B6R0.5 CS(=O)(=O)CCO D73179 [1,1,0,0,0,0|2,0,0]=4 643 B6R0.6 BrCCOCCBr 12226 [1,1,0,0,0,0|1,0,1]=4 644 B6R0.6 C=CCCCCBr F14895 [1,1,0,0,0,0|1,0,1]=4 645 B6R0.6 C=CCCCCCl N11935 [1,1,0,0,0,0|1,0,1]=4 646 B6R0.6 C=CCCCCO 35574 [1,1,0,0,0,0|1,0,1]=4 647 B6R0.6 C=COCCCN 75654 [1,1,0,0,0,0|0,0,1]=3 648 B6R0.6 CCCC#CCO D90881 [1,1,0,0,0,0|1,0,1]=4 649 B6R0.6 CCCC=CC=O D78252 [1,1,0,0,0,0|1,0,0]=3 650 B6R0.6 CCCCCCI F20355 [1,1,0,0,0,0|1,0,1]=4 651 B6R0.6 CCCCCCN F19564 [1,1,0,0,0,0|1,0,1]=4 652 B6R0.6 CCCCCNC D91584 [1,1,0,0,0,0|1,0,1]=4 653 B6R0.6 CCCNCCC D89745 [1,1,0,0,0,0|1,0,1]=4 654 B6R0.6 CCCNCCO C10761 [1,1,0,0,0,0|1,0,1]=4 655 B6R0.6 CCCOCCCl H10822 [1,1,0,0,0,0|0,0,1]=3 656 B6R0.6 CCC\C=C\CO D78301 [1,1,0,0,0,0|1,0,0]=3 657 B6R0.6 CCNCCCN D82016 [1,1,0,0,0,0|1,0,1]=4 658 B6R0.6 CCNCCCO 31655 [1,1,0,0,0,0|1,0,1]=4 659 B6R0.6 CCNCCOC H11999 [1,1,0,0,0,0|1,0,1]=4 660 B6R0.6 CCOCCCCl D95770 [1,1,0,0,0,0|0,0,1]=3 661 B6R0.6 CCOCCCO D95933 [1,1,0,0,0,0|0,0,1]=3 662 B6R0.6 CC\C=C/CCO 73722 [1,1,0,0,0,0|2,0,0]=4 663 B6R0.6 CNCCCCO F10210 [1,1,0,0,0,0|2,0,0]=4 664 B6R0.6 COCCCCBr F13727 [1,1,0,0,0,0|2,0,0]=4 665 B6R0.6 COCCCCCl 28715 [1,1,0,0,0,0|2,0,0]=4 666 B6R0.6 COCCCCO D78159 [1,1,0,0,0,0|2,0,0]=4 667 B6R0.6 COCCOCCl H11303 [1,1,0,0,0,0|1,0,1]=4 668 B6R0.6 COCOCOC 75328 [1,1,0,0,0,0|1,0,1]=4 669 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [1,1,0,0,0,0|2,0,0]=4 670 B6R0.6 ICCOCCI C90294 [1,1,0,0,0,0|1,0,1]=4 671 B6R0.6 NCCOCCN 75244 [1,1,0,0,0,0|1,0,1]=4 672 B6R0.6 NCCOCCN 75301 [1,1,0,0,0,0|1,0,1]=4 673 B6R0.6 NCCOCCO C70233 [1,1,0,0,0,0|1,0,1]=4 674 B6R0.6 O=C=NCCCCl D89529 [1,1,0,0,0,0|1,0,1]=4 675 B6R0.6 O=CCCCCCl C10094 [1,1,0,0,0,0|1,0,0]=3 676 B6R0.6 O=CCCCCO F19841 [1,1,0,0,0,0|1,0,0]=3 677 B6R0.6 OCCOCCBr S10705 [1,1,0,0,0,0|1,0,1]=4 678 B6R0.6 OCCOCCCl D72518 [1,1,0,0,0,0|1,0,1]=4 679 B8R0.2 CCC(C)C(=O)C(=O)[O-] H10988 [0,2,0,0,0,0|2,0,0]=4 680 B8R0.2 CCC(C)C(N)C(=O)O FD21837 [0,2,0,0,0,0|2,0,0]=4 681 B8R0.2 CCC(C)C(N)C(=O)O FD3037 [0,2,0,0,0,0|2,0,0]=4 682 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 28632 [0,2,0,0,0,0|2,0,0]=4 683 B8R0.2 CC[C@H](C)C(=O)C(=O)O F16679 [0,2,0,0,0,0|2,0,0]=4 684 B8R0.2 CC[C@H](C)C(=O)C(=O)[O-] D97764 [0,2,0,0,0,0|2,0,0]=4 685 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O FD20022 [0,2,0,0,0,0|2,0,0]=4 686 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O FD21838 [0,2,0,0,0,0|2,0,0]=4 687 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O FD21807 [0,2,0,0,0,0|2,0,0]=4 688 B8R0.5 CCOC(=O)NC(C)=O W18296 [0,2,0,0,0,0|1,0,1]=4 689 B8R0.5 CCS[C@@H](C)CC(=O)O D80779 [0,2,0,0,0,0|2,0,0]=4 690 B8R0.16 COC(CC(C)=O)OC D72464 [0,2,0,0,0,0|2,0,0]=4 691 B8R0.19 CCC(=O)CC(=O)CC O11824 [0,2,0,0,0,0|1,0,1]=4 692 B8R0.19 CCC(=O)CC(=O)OC AC7866 [0,2,0,0,0,0|1,0,1]=4 693 B8R0.19 COC(=O)OC(=O)OC D95912 [0,2,0,0,0,0|1,0,1]=4 694 B8R0.23 CC(=O)C(=O)CC(C)C D84272 [0,2,0,0,0,0|1,0,0]=3 695 B8R0.23 CC(=O)CC(=O)C(C)C 76315 [0,2,0,0,0,0|1,0,1]=4 696 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl 67749 [0,2,0,0,0,0|1,0,1]=4 697 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl T70869 [0,2,0,0,0,0|1,0,1]=4 698 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 50550 [0,2,0,0,0,0|1,0,1]=4 699 B8R0.23 CC(=O)O[C@@H](C)C(=O)O D88540 [0,2,0,0,0,0|1,0,1]=4 700 B8R0.23 CC(C)CC(=O)C(=O)O D82408 [0,2,0,0,0,0|2,0,0]=4 701 B8R0.23 CC(C)CC(=O)C(=O)[O-] F10915 [0,2,0,0,0,0|2,0,0]=4 702 B8R0.23 CC(C)C[C@H](Br)C(=O)O 36197 [0,2,0,0,0,0|2,0,0]=4 703 B8R0.23 CC(C)C[C@H](Br)C(=O)O C74469 [0,2,0,0,0,0|2,0,0]=4 704 B8R0.23 CC(C)C[C@H](N)C(=O)O 29890 [0,2,0,0,0,0|2,0,0]=4 705 B8R0.23 CC(C)C[C@H](N)C(=O)O AC7886 [0,2,0,0,0,0|2,0,0]=4 706 B8R0.23 CC(C)C[C@H](N)C(N)=O 20044 [0,2,0,0,0,0|2,0,0]=4 707 B8R0.23 CC(C)C[C@H](N)C(N)=O FD21869 [0,2,0,0,0,0|2,0,0]=4 708 B8R0.23 CC(C)C[C@H](N)C(N)=O FD21910 [0,2,0,0,0,0|2,0,0]=4 709 B8R0.23 CC(C)C[C@H](N)C(N)=O FD3059 [0,2,0,0,0,0|2,0,0]=4 710 B8R0.23 CC(C)C[C@H](O)C(=O)O D87748 [0,2,0,0,0,0|2,0,0]=4 711 B8R0.23 CC(C)C[C@H](O)C(=O)O F14883 [0,2,0,0,0,0|2,0,0]=4 712 B8R0.23 CC(C)C[C@H](O)C(=O)O S10037 [0,2,0,0,0,0|2,0,0]=4 713 B8R0.23 CC(C)[C@@H](N)CC(=O)O 28879 [0,2,0,0,0,0|2,0,0]=4 714 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62352 [0,2,0,0,0,0|2,0,0]=4 715 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62354 [0,2,0,0,0,0|2,0,0]=4 716 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O 25533 [0,2,0,0,0,0|2,0,0]=4 717 B8R0.34 CCC(C)(C)CC(=O)O D93429 [0,2,0,0,0,0|2,0,0]=4 718 B8R0.34 CC[C@](C)(O)CC(=O)O D90920 [0,2,0,0,0,0|2,0,0]=4 719 B8R0.34 CSC(C)(C)CC(C)=O D95281 [0,2,0,0,0,0|2,0,0]=4 720 B8R0.1 C=CCOC(=O)CC#N D74895 [0,2,0,0,0,0|0,0,2]=4 721 B8R0.1 CCC#CC(=O)OCC AB21618 [0,2,0,0,0,0|1,0,1]=4 722 B8R0.1 CCOC(=O)CCCBr F11167 [0,2,0,0,0,0|2,0,0]=4 723 B8R0.1 CCOC(=O)CCCI 74907 [0,2,0,0,0,0|2,0,0]=4 724 B8R0.1 CCOC(=O)CCCN 20516 [0,2,0,0,0,0|2,0,0]=4 725 B8R0.1 CCOC(=O)CCNC 30981 [0,2,0,0,0,0|2,0,0]=4 726 B8R0.1 CCOC(=O)CCOC D91424 [0,2,0,0,0,0|2,0,0]=4 727 B8R0.1 CCOC(=O)CCSC D90571 [0,2,0,0,0,0|2,0,0]=4 728 B8R0.1 CCOC(=O)NCCCl 61494 [0,2,0,0,0,0|2,0,0]=4 729 B8R0.1 CCOCC(=O)OCC D81905 [0,2,0,0,0,0|2,0,0]=4 730 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [0,2,0,0,0,0|1,0,0]=3 731 B8R0.3 CCC[C@H](N)C(=O)OC 64049 [0,2,0,0,0,0|1,0,0]=3 732 B8R0.3 CCC[C@H](N)C(=O)OC D83467 [0,2,0,0,0,0|1,0,0]=3 733 B8R0.3 CCOC(=O)C(=O)CBr 23027 [0,2,0,0,0,0|2,0,0]=4 734 B8R0.3 CCOC(=O)C(=O)CC RB3244 [0,2,0,0,0,0|2,0,0]=4 735 B8R0.3 CCOC(=O)C(=O)NC W11374 [0,2,0,0,0,0|2,0,0]=4 736 B8R0.3 COC(=O)[C@@H](Br)CCBr 61732 [0,2,0,0,0,0|2,0,0]=4 737 B8R0.3 COC(=O)[C@@H](C)CCCl D89391 [0,2,0,0,0,0|2,0,0]=4 738 B8R0.3 COC[C@H](Br)C(=O)OC A10668 [0,2,0,0,0,0|2,0,0]=4 739 B8R0.6 C#CCCCC(=O)OC C90747 [0,2,0,0,0,0|1,0,1]=4 740 B8R0.6 C=CC(=O)CCCCC D71008 [0,2,0,0,0,0|1,0,1]=4 741 B8R0.6 C=CC(=O)NCCCC D82024 [0,2,0,0,0,0|1,0,1]=4 742 B8R0.6 C=CC(=O)OCCC#N D83890 [0,2,0,0,0,0|0,0,2]=4 743 B8R0.6 C=CCCCC(=O)OC H11902 [0,2,0,0,0,0|1,0,1]=4 744 B8R0.6 CCCCNC(=O)CC D88679 [0,2,0,0,0,0|1,0,0]=3 745 B8R0.6 CCCCNC(=O)CCl 23765 [0,2,0,0,0,0|1,0,0]=3 746 B8R0.6 CCCCOC(=O)CN F52077 [0,2,0,0,0,0|0,0,0]=2 747 B8R0.6 CCCCOC(=O)CO D70201 [0,2,0,0,0,0|0,0,0]=2 748 B8R0.6 CCC\C=C\C(=O)OC 28979 [0,2,0,0,0,0|1,0,0]=3 749 B8R0.6 CCC\C=C\C(=O)OC AC7684 [0,2,0,0,0,0|1,0,0]=3 750 B8R0.6 CCNCCC(=O)OC 31591 [0,2,0,0,0,0|1,0,0]=3 751 B8R0.6 CC\C=C\CC(=O)OC D93382 [0,2,0,0,0,0|1,0,1]=4 752 B8R0.6 CNCCCC(=O)OC AB9747 [0,2,0,0,0,0|1,0,0]=3 753 B8R0.6 COC(=O)CCCC#N 32622 [0,2,0,0,0,0|1,0,1]=4 754 B8R0.6 COC(=O)CCCCBr 76669 [0,2,0,0,0,0|1,0,0]=3 755 B8R0.6 COC(=O)CCCCCl D75917 [0,2,0,0,0,0|1,0,0]=3 756 B8R0.6 COC(=O)CCCCN 76218 [0,2,0,0,0,0|1,0,0]=3 757 B8R0.6 COC(=O)COCCCl 39408 [0,2,0,0,0,0|1,0,0]=3 758 B8R0.6 COCCCC(=O)OC F14920 [0,2,0,0,0,0|1,0,0]=3 759 B8R0.8 C=C(C)C(=O)NCCO A51143 [0,2,0,0,0,0|2,0,0]=4 760 B8R0.8 C=C(C)C(=O)OCCN 77919 [0,2,0,0,0,0|1,0,0]=3 761 B8R0.8 C=C(C)C(=O)OCCO D70640 [0,2,0,0,0,0|1,0,0]=3 762 B8R0.8 CC(C)C(=O)NCCN D86303 [0,2,0,0,0,0|2,0,0]=4 763 B8R0.8 CCCCC(=O)C(C)C D91376 [0,2,0,0,0,0|1,0,0]=3 764 B8R0.8 CCCC[C@H](Br)C(=O)O H11951 [0,2,0,0,0,0|2,0,0]=4 765 B8R0.8 CCCC[C@H](C)C(=O)O D91409 [0,2,0,0,0,0|1,0,1]=4 766 B8R0.8 CCCC[C@H](N)C(=O)O 73275 [0,2,0,0,0,0|2,0,0]=4 767 B8R0.8 CCCC[C@H](N)C(=O)O FD3031 [0,2,0,0,0,0|2,0,0]=4 768 B8R0.8 CCCC[C@H](N)C(=O)O FD3085 [0,2,0,0,0,0|2,0,0]=4 769 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [0,2,0,0,0,0|0,0,0]=2 770 B8R0.8 CCC\C=C(/C)C(=O)[O-] D87851 [0,2,0,0,0,0|1,0,0]=3 771 B8R0.8 CSCCC(O)C(=O)[O-] A51087 [0,2,0,0,0,0|2,0,0]=4 772 B8R0.8 CSCC[C@H](N)C(=O)O 30742 [0,2,0,0,0,0|2,0,0]=4 773 B8R0.8 CSCC[C@H](N)C(=O)O D70895 [0,2,0,0,0,0|2,0,0]=4 774 B8R0.8 CSCC[C@H](N)C(=O)O D72471 [0,2,0,0,0,0|2,0,0]=4 775 B8R0.8 CSCC[C@H](N)C(=O)[O-] D70450 [0,2,0,0,0,0|2,0,0]=4 776 B8R0.8 CSCC[C@H](N)C(N)=O F10669 [0,2,0,0,0,0|2,0,0]=4 777 B8R0.8 CSCC[C@H](O)C(=O)O H11809 [0,2,0,0,0,0|2,0,0]=4 778 B8R0.8 C[C@H](O)C(=O)NCCO D90852 [0,2,0,0,0,0|2,0,0]=4 779 B8R0.8 C[Se]CC[C@H](N)C(=O)O D92258 [0,2,0,0,0,0|2,0,0]=4 780 B8R0.8 NCCC[C@H](N)C(=O)O 28202 [0,2,0,0,0,0|2,0,0]=4 781 B8R0.8 NCCC[C@H](N)C(=O)O 28697 [0,2,0,0,0,0|2,0,0]=4 782 B8R0.8 NCCC[C@H](N)C(=O)O AC1496 [0,2,0,0,0,0|2,0,0]=4 783 B8R0.8 NCCC[C@H](N)C(=O)O D70545 [0,2,0,0,0,0|2,0,0]=4 784 B8R0.8 NCCC[C@H](N)C(=O)O D91796 [0,2,0,0,0,0|2,0,0]=4 785 B8R0.8 NCCC[C@H](N)C(=O)O F17224 [0,2,0,0,0,0|2,0,0]=4 786 B8R0.9 CC(=O)OCC(=O)CCl D88398 [0,2,0,0,0,0|0,0,1]=3 787 B8R0.9 CC(=O)OC[C@H](C)CBr AB6423 [0,2,0,0,0,0|0,0,0]=2 788 B8R0.9 CC(=O)OC[C@H](O)CCl CS1164 [0,2,0,0,0,0|0,0,0]=2 789 B8R0.9 CC(C)CNC(=O)CCl F20035 [0,2,0,0,0,0|1,0,0]=3 790 B8R0.9 CCC(=O)CCC(=O)O D93322 [0,2,0,0,0,0|2,0,0]=4 791 B8R0.9 CCC(=O)NCC(C)C AC2518 [0,2,0,0,0,0|1,0,0]=3 792 B8R0.9 COC(=O)CCC(C)=O H11992 [0,2,0,0,0,0|1,0,1]=4 793 B8R0.9 COC(=O)CCN(C)C 32618 [0,2,0,0,0,0|2,0,0]=4 794 B8R0.7 C#CCCCCC(=O)O 76366 [0,2,0,0,0,0|2,0,0]=4 795 B8R0.7 C=CCCCCC(=O)O I11996 [0,2,0,0,0,0|2,0,0]=4 796 B8R0.7 CC(=O)OCCCCBr F16811 [0,2,0,0,0,0|0,0,0]=2 797 B8R0.7 CC(=O)OCCCCCl H10679 [0,2,0,0,0,0|0,0,0]=2 798 B8R0.7 CCCCCCC(=O)Cl A10863 [0,2,0,0,0,0|2,0,0]=4 799 B8R0.7 CCCCCCC(=O)[O-] D90422 [0,2,0,0,0,0|2,0,0]=4 800 B8R0.7 CCCCCCC(N)=O D93021 [0,2,0,0,0,0|2,0,0]=4 801 B8R0.7 CCCCCOC(=O)Cl D89273 [0,2,0,0,0,0|1,0,0]=3 802 B8R0.7 CCCCCOC(=S)[S-] D88265 [0,2,0,0,0,0|1,1,0]=4 803 B8R0.7 CCCCOCC(=O)O AC1559 [0,2,0,0,0,0|1,0,0]=3 804 B8R0.7 CCCC\C=C\C(=O)O D90864 [0,2,0,0,0,0|2,0,0]=4 805 B8R0.7 COCCOCC(=O)O D74540 [0,2,0,0,0,0|1,0,0]=3 806 B8R0.7 CSCCCOC(C)=O D91595 [0,2,0,0,0,0|0,0,0]=2 807 B8R0.7 NC(=O)CCCCCBr 74914 [0,2,0,0,0,0|2,0,0]=4 808 B8R0.7 NCCNCCC(=O)[O-] F16459 [0,2,0,0,0,0|2,0,0]=4 809 B8R0.7 O=C(Cl)CCCCCBr D88888 [0,2,0,0,0,0|2,0,0]=4 810 B8R0.7 O=C(O)CCCCCBr F11242 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.7 O=C(O)CCCCCCl D77823 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.7 O=C(O)CCCCCO S10488 [0,2,0,0,0,0|2,0,0]=4 813 B8R0.7 O=C(O)CCNCCO D94998 [0,2,0,0,0,0|2,0,0]=4 814 B8R0.7 O=C([O-])CCCCCO Y10610 [0,2,0,0,0,0|2,0,0]=4 815 B8R0.21 C#CCCOS(C)(=O)=O W16028 [0,2,0,0,0,0|1,0,1]=4 816 B8R0.21 CCCCOC(C)(C)C D92818 [0,2,0,0,0,0|1,0,1]=4 817 B8R0.21 CCCCOS(C)(=O)=O A10593 [0,2,0,0,0,0|1,0,0]=3 818 B8R0.21 COCCOS(C)(=O)=O F19933 [0,2,0,0,0,0|1,0,0]=3 819 B8R0.28 CC(=O)CCC=C(C)C D77716 [0,2,0,0,0,0|1,0,1]=4 820 B8R0.28 CC(=O)CCCC(=O)O TD8115 [0,2,0,0,0,0|1,0,1]=4 821 B8R0.28 CC(=O)CCCC(C)C D81757 [0,2,0,0,0,0|1,0,0]=3 822 B8R0.28 CC(=O)CCOC(C)=O D84229 [0,2,0,0,0,0|0,0,0]=2 823 B8R0.28 CC(=O)NCCC(=O)O 50398 [0,2,0,0,0,0|1,0,1]=4 824 B8R0.28 CC(=O)OCCN(C)C D88355 [0,2,0,0,0,0|0,0,0]=2 825 B8R0.28 CC(=O)OCOC(C)=O C16112 [0,2,0,0,0,0|0,0,1]=3 826 B8R0.28 CC(=O)SCCC(=O)O N12196 [0,2,0,0,0,0|0,1,1]=4 827 B8R0.28 CC(C)COCC(=O)O D79193 [0,2,0,0,0,0|1,0,0]=3 828 B8R0.28 CC(O)COCC(C)O D78446 [0,2,0,0,0,0|0,0,2]=4 829 B8R0.28 CN(C)CCCC(=O)O F14882 [0,2,0,0,0,0|2,0,0]=4 830 B8R0.29 CC(=O)OCC(F)(F)F D92699 [0,2,0,0,0,0|1,0,0]=3 831 B8R0.29 CC(=O)OC[Si](C)(C)C D88457 [0,2,0,0,0,0|0,1,0]=3 832 B8R0.29 CC(C)(C)CCC(=O)O AB7068 [0,2,0,0,0,0|2,0,0]=4 833 B8R0.29 CC(C)(N)CNC(N)=O 46043 [0,2,0,0,0,0|2,0,0]=4 834 B8R0.29 CC(C)CNS(C)(=O)=O AR2162 [0,2,0,0,0,0|2,0,0]=4 835 B8R0.29 C[C@H](O)COC(C)(C)C A10548 [0,2,0,0,0,0|1,0,1]=4 836 B8R0.29 O=C(Cl)OCC(Cl)(Cl)Cl C93433 [0,2,0,0,0,0|2,0,0]=4 837 B6R1.2 CC1=NCCC1 35340 [1,0,0,1,0,0|1,0,0]=3 838 B6R1.2 CC1=NCCN1 S11926 [1,0,0,1,0,0|2,0,0]=4 839 B6R1.2 CC1=NCCO1 F16112 [1,0,0,1,0,0|1,0,0]=3 840 B6R1.2 CC1=NCCS1 D91305 [1,0,0,1,0,0|1,1,0]=4 841 B6R1.2 CN1CCCC1 D78045 [1,0,0,1,0,0|2,0,0]=4 842 B6R1.2 C[C@H]1CCCN1 11755 [1,0,0,1,0,0|1,0,1]=4 843 B6R1.2 C[C@H]1CCCN1 23331 [1,0,0,1,0,0|1,0,1]=4 844 B6R1.2 C[C@H]1CCCN1 64834 [1,0,0,1,0,0|1,0,1]=4 845 B6R1.2 C[C@H]1CCCN1 64835 [1,0,0,1,0,0|1,0,1]=4 846 B6R1.2 C[C@H]1CCCN1 64836 [1,0,0,1,0,0|1,0,1]=4 847 B6R1.2 C[C@H]1CCCS1 TD8134 [1,0,0,1,0,0|0,1,1]=4 848 B6R1.2 C[S+]1CCCC1 AC8164 [1,0,0,1,0,0|2,0,0]=4 849 B6R1.2 IC1CCCC1 P10039 [1,0,0,1,0,0|1,0,1]=4 850 B6R1.2 N=C1CCCS1 H10471 [1,0,0,1,0,0|1,1,0]=4 851 B6R1.2 NC1=NCCC1 23751 [1,0,0,1,0,0|2,0,0]=4 852 B6R1.2 NC1CCCC1 22312 [1,0,0,1,0,0|1,0,1]=4 853 B6R1.2 O=C1C=CCC1 23169 [1,0,0,1,0,0|0,0,2]=4 854 B6R1.2 O=C1C=CCO1 20453 [1,0,0,1,0,0|0,0,2]=4 855 B6R1.2 O=C1CC=CC1 68366 [1,0,0,1,0,0|0,0,2]=4 856 B6R1.2 O=C1CCCN1 D95709 [1,0,0,1,0,0|1,0,0]=3 857 B6R1.2 O=C1CCCN1 D96808 [1,0,0,1,0,0|1,0,0]=3 858 B6R1.2 O=C1CCNC1 65410 [1,0,0,1,0,0|1,0,0]=3 859 B6R1.2 O=C1CCNN1 F15485 [1,0,0,1,0,0|2,0,0]=4 860 B6R1.2 O=C1CCOC1 28102 [1,0,0,1,0,0|1,0,0]=3 861 B6R1.2 O=C1CCSC1 37995 [1,0,0,1,0,0|1,0,0]=3 862 B6R1.2 O=C1NCCN1 D71145 [1,0,0,1,0,0|2,0,0]=4 863 B6R1.2 O=C1NCCO1 C93484 [1,0,0,1,0,0|1,0,0]=3 864 B6R1.2 O=C1NCCS1 35133 [1,0,0,1,0,0|1,1,0]=4 865 B6R1.2 O=C1OCCO1 D72525 [1,0,0,1,0,0|1,0,0]=3 866 B6R1.2 O=S1CCCC1 D92307 [1,0,0,1,0,0|1,0,0]=3 867 B6R1.2 O=S1OCCO1 AC7916 [1,0,0,1,0,0|2,0,0]=4 868 B6R1.2 O[C@@H]1CCCO1 31275 [1,0,0,1,0,0|0,0,2]=4 869 B6R1.2 S=C1CCCN1 D95546 [1,0,0,1,0,0|1,1,0]=4 870 B6R1.2 S=C1NCCO1 79469 [1,0,0,1,0,0|1,1,0]=4 871 B6R1.2 SC1CCCC1 D89300 [1,0,0,1,0,0|0,1,1]=4 872 B6R1.5 NC1CC(=O)C1 33403 [1,0,0,1,0,0|1,0,0]=3 873 B6R1.5 O=C1CC(Br)C1 38627 [1,0,0,1,0,0|1,0,0]=3 874 B6R1.11 CC(=O)C1CC1 79965 [1,0,0,1,0,0|0,0,0]=2 875 B6R1.11 C[C@H](N)C1CC1 30876 [1,0,0,1,0,0|1,0,1]=4 876 B6R1.11 C[C@H](N)C1CC1 71703 [1,0,0,1,0,0|1,0,1]=4 877 B6R1.11 C[C@H](N)C1CC1 72740 [1,0,0,1,0,0|1,0,1]=4 878 B6R1.11 C[C@H](N)C1CC1 F11381 [1,0,0,1,0,0|1,0,1]=4 879 B6R1.11 C[C@H](O)C1CC1 W10546 [1,0,0,1,0,0|0,0,2]=4 880 B6R1.11 N=C(N)C1CC1 59460 [1,0,0,1,0,0|2,0,0]=4 881 B6R1.11 N=C(N)C1CC1 W10323 [1,0,0,1,0,0|2,0,0]=4 882 B6R1.11 NC(=O)C1CC1 R10019 [1,0,0,1,0,0|1,0,0]=3 883 B6R1.11 NC(=S)C1CC1 82485 [1,0,0,1,0,0|1,1,0]=4 884 B6R1.11 O=C(Cl)C1CC1 D78023 [1,0,0,1,0,0|1,0,0]=3 885 B6R1.11 O=C(O)C1CC1 44496 [1,0,0,1,0,0|1,0,0]=3 886 B6R1.11 O=C([O-])[C@@H]1CO1 RB3380 [1,0,0,1,0,0|2,0,0]=4 887 B6R1.1 C1=CCNCC1 37471 [1,0,0,1,0,0|2,0,0]=4 888 B6R1.1 C1=CCNCC1 AB7774 [1,0,0,1,0,0|2,0,0]=4 889 B6R1.1 C1=CCOCC1 37905 [1,0,0,1,0,0|2,0,0]=4 890 B6R1.1 C1=COCCC1 D78128 [1,0,0,1,0,0|0,0,1]=3 891 B6R1.1 C1CCNCC1 D77674 [1,0,0,1,0,0|1,0,1]=4 892 B6R1.1 C1CCNNC1 AB2862 [1,0,0,1,0,0|2,0,0]=4 893 B6R1.1 C1CCONC1 72394 [1,0,0,1,0,0|1,0,0]=3 894 B6R1.1 C1CCSCC1 D78391 [1,0,0,1,0,0|0,1,1]=4 895 B6R1.1 C1COCCN1 D70343 [1,0,0,1,0,0|1,0,1]=4 896 B6R1.1 C1COCCN1 D95446 [1,0,0,1,0,0|1,0,1]=4 897 B6R1.1 C1COCCN1 F14226 [1,0,0,1,0,0|1,0,1]=4 898 B6R1.1 C1CSCCO1 D87969 [1,0,0,1,0,0|1,0,1]=4 899 B6R1.6 IC[C@H]1CCO1 30641 [1,0,0,1,0,0|1,0,1]=4 900 B6R1.6 NC[C@H]1CCO1 32892 [1,0,0,1,0,0|1,0,1]=4 901 B6R1.6 O=CC1CCC1 83143 [1,0,0,1,0,0|1,0,0]=3 902 B8R1.1 C=C[C@@H]1COC(=O)O1 D92787 [0,1,0,1,0,0|0,0,2]=4 903 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [0,1,0,1,0,0|0,0,0]=2 904 B8R1.1 N#C[C@H]1CCC(=O)C1 72729 [0,1,0,1,0,0|1,0,1]=4 905 B8R1.1 NC[C@H]1CCC(=O)N1 29046 [0,1,0,1,0,0|2,0,0]=4 906 B8R1.1 O=C1C=C(CBr)CO1 AC1838 [0,1,0,1,0,0|0,0,2]=4 907 B8R1.1 O=C1CC[C@H](CBr)N1 54799 [0,1,0,1,0,0|2,0,0]=4 908 B8R1.1 O=C1CC[C@H](CBr)N1 FD1199 [0,1,0,1,0,0|2,0,0]=4 909 B8R1.1 O=C1CC[C@H](CO)N1 65450 [0,1,0,1,0,0|2,0,0]=4 910 B8R1.1 O=C1CC[C@H](CO)N1 65451 [0,1,0,1,0,0|2,0,0]=4 911 B8R1.1 O=C1CC[C@H](CO)N1 78078 [0,1,0,1,0,0|2,0,0]=4 912 B8R1.1 O=C1CC[C@H](CO)O1 60100 [0,1,0,1,0,0|1,0,0]=3 913 B8R1.1 O=C1CC[C@H](CO)O1 60102 [0,1,0,1,0,0|1,0,0]=3 914 B8R1.1 O=C1NC[C@H](CCl)O1 74052 [0,1,0,1,0,0|1,0,0]=3 915 B8R1.1 O=C1NC[C@H](CCl)O1 D78281 [0,1,0,1,0,0|1,0,0]=3 916 B8R1.1 O=C1NC[C@H](CO)O1 30493 [0,1,0,1,0,0|1,0,0]=3 917 B8R1.1 O=C1OC[C@H](CO)O1 S12081 [0,1,0,1,0,0|1,0,0]=3 918 B8R1.4 CC1=CC(=O)CCC1 S10448 [0,1,0,1,0,0|1,0,1]=4 919 B8R1.4 CC1CC(O)CCO1 32162 [0,1,0,1,0,0|1,0,1]=4 920 B8R1.4 CC1COCC(C)N1 70362 [0,1,0,1,0,0|1,0,1]=4 921 B8R1.4 CN1CCCC(=O)C1 25967 [0,1,0,1,0,0|1,0,0]=3 922 B8R1.4 CN1CCNC(=O)C1 23552 [0,1,0,1,0,0|1,0,0]=3 923 B8R1.4 CN1CCOC(=O)C1 70849 [0,1,0,1,0,0|0,0,0]=2 924 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [0,1,0,1,0,0|1,0,0]=3 925 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [0,1,0,1,0,0|1,0,0]=3 926 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [0,1,0,1,0,0|1,0,0]=3 927 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [0,1,0,1,0,0|0,0,0]=2 928 B8R1.4 C[C@H]1COCC(=O)N1 88852 [0,1,0,1,0,0|1,0,0]=3 929 B8R1.4 C[C@H]1COCC(=O)N1 88853 [0,1,0,1,0,0|1,0,0]=3 930 B8R1.4 C[C@H]1C[C@@H](O)CCO1 D78943 [0,1,0,1,0,0|1,0,1]=4 931 B8R1.4 NC1=CC(=O)CCC1 30084 [0,1,0,1,0,0|1,0,1]=4 932 B8R1.4 N[C@H]1CCNC(=O)C1 28187 [0,1,0,1,0,0|1,0,0]=3 933 B8R1.4 N[C@H]1CCNC(=O)C1 62308 [0,1,0,1,0,0|1,0,0]=3 934 B8R1.4 O=C1C=C(O)CCC1 D81514 [0,1,0,1,0,0|1,0,1]=4 935 B8R1.4 O=C1CCCC(=O)C1 70018 [0,1,0,1,0,0|1,0,1]=4 936 B8R1.4 O=C1CCCC(=O)N1 F11946 [0,1,0,1,0,0|1,0,1]=4 937 B8R1.4 O=C1CCNC(=O)C1 65248 [0,1,0,1,0,0|1,0,1]=4 938 B8R1.4 O=C1COCC(=O)O1 D90041 [0,1,0,1,0,0|1,0,1]=4 939 B8R1.4 O=C1CSCC(=O)O1 H10798 [0,1,0,1,0,0|1,0,1]=4 940 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [0,1,0,1,0,0|1,0,0]=3 941 B8R1.18 CC1=CC(=O)O[C@@H]1O 24560 [0,1,0,1,0,0|0,0,2]=4 942 B8R1.18 C[C@@H]1NC(=O)OC1=O 31223 [0,1,0,1,0,0|1,0,1]=4 943 B8R1.18 C[C@H]1CC(=O)NC1=O 64374 [0,1,0,1,0,0|1,0,1]=4 944 B8R1.18 C[C@H]1CC(=O)OC1=O C10641 [0,1,0,1,0,0|0,0,1]=3 945 B8R1.18 O=C1OC(Cl)C(Cl)O1 75975 [0,1,0,1,0,0|2,0,0]=4 946 B8R1.34 CC(=O)NC1CNC1 38121 [0,1,0,1,0,0|1,0,0]=3 947 B8R1.34 CC(C)OC1CNC1 P10423 [0,1,0,1,0,0|1,0,1]=4 948 B8R1.34 O=C(O)C=C1CCC1 37801 [0,1,0,1,0,0|2,0,0]=4 949 B8R1.34 O=C(O)CC1CCC1 AB3606 [0,1,0,1,0,0|2,0,0]=4 950 B8R1.40 NCC(=O)NC1CC1 AB1061 [0,1,0,1,0,0|1,0,0]=3 951 B8R1.40 O=C(CCl)NC1CC1 F19977 [0,1,0,1,0,0|1,0,0]=3 952 B8R1.51 CC1(C)CNC(=O)C1 30628 [0,1,0,1,0,0|1,0,0]=3 953 B8R1.51 C[C@H]1CCS(=O)(=O)C1 F14688 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.51 C[C@H]1COC(C)(C)O1 D92616 [0,1,0,1,0,0|0,0,2]=4 955 B8R1.51 C[C@H]1COS(=O)(=O)O1 F18739 [0,1,0,1,0,0|2,0,0]=4 956 B8R1.51 C[C@H]1COS(=O)(=O)O1 H10841 [0,1,0,1,0,0|2,0,0]=4 957 B8R1.2 C#CC1=CCCCC1 F14623 [0,1,0,1,0,0|2,0,0]=4 958 B8R1.2 N#CC1=CCCCC1 D89547 [0,1,0,1,0,0|2,0,0]=4 959 B8R1.2 N#CC1=CCCCO1 29055 [0,1,0,1,0,0|1,0,1]=4 960 B8R1.2 NC[C@H]1CCCCO1 29695 [0,1,0,1,0,0|1,0,1]=4 961 B8R1.2 NO[C@@H]1CCCCO1 FD1322 [0,1,0,1,0,0|0,0,2]=4 962 B8R1.2 O=CC1=CCCOC1 35550 [0,1,0,1,0,0|2,0,0]=4 963 B8R1.2 O=CC1=COCCC1 A12341 [0,1,0,1,0,0|2,0,0]=4 964 B8R1.2 O=CC1CCCCC1 39466 [0,1,0,1,0,0|1,0,1]=4 965 B8R1.2 O=NN1CCCCC1 D92816 [0,1,0,1,0,0|2,0,0]=4 966 B8R1.2 OC[C@H]1CCCCO1 P17277 [0,1,0,1,0,0|0,0,2]=4 967 B8R1.3 CC1CCC(=O)CC1 P20542 [0,1,0,1,0,0|1,0,0]=3 968 B8R1.3 CN1CCC(=O)CC1 67677 [0,1,0,1,0,0|2,0,0]=4 969 B8R1.3 NC1CCC(=O)CC1 24439 [0,1,0,1,0,0|1,0,0]=3 970 B8R1.3 N[C@H]1CCC(=O)NC1 P10247 [0,1,0,1,0,0|1,0,0]=3 971 B8R1.3 O=C1CCC(=O)CC1 F11265 [0,1,0,1,0,0|1,0,1]=4 972 B8R1.3 O=C1CCC(O)CC1 24546 [0,1,0,1,0,0|1,0,0]=3 973 B8R1.3 O=C1CC[C@H](O)CN1 62216 [0,1,0,1,0,0|1,0,0]=3 974 B8R1.3 O=C1CC[C@H](O)CN1 62217 [0,1,0,1,0,0|1,0,0]=3 975 B8R1.3 O=C1COC(=O)CO1 F20408 [0,1,0,1,0,0|1,0,1]=4 976 B8R1.5 CC1=NCCCN1C 67669 [0,1,0,1,0,0|2,0,0]=4 977 B8R1.5 CN1CCCNC1=O F13277 [0,1,0,1,0,0|1,0,0]=3 978 B8R1.5 CN1CCNCC1=O 26900 [0,1,0,1,0,0|2,0,0]=4 979 B8R1.5 CN1CCNCC1=O 37505 [0,1,0,1,0,0|2,0,0]=4 980 B8R1.5 C[C@@H]1NCCNC1=O 20377 [0,1,0,1,0,0|2,0,0]=4 981 B8R1.5 C[C@@H]1NCCNC1=O 20378 [0,1,0,1,0,0|2,0,0]=4 982 B8R1.5 C[C@@H]1NCCNC1=O F31149 [0,1,0,1,0,0|2,0,0]=4 983 B8R1.5 C[C@H]1CCCNC1=O P10093 [0,1,0,1,0,0|1,0,0]=3 984 B8R1.5 C[C@H]1CNCCC1=O 63757 [0,1,0,1,0,0|2,0,0]=4 985 B8R1.5 C[C@H]1CNCCC1=O 67436 [0,1,0,1,0,0|2,0,0]=4 986 B8R1.5 N[C@H]1CCCNC1=O 23329 [0,1,0,1,0,0|1,0,0]=3 987 B8R1.5 N[C@H]1CCCNC1=O 27952 [0,1,0,1,0,0|1,0,0]=3 988 B8R1.5 N[C@H]1CCCNC1=O 51547 [0,1,0,1,0,0|1,0,0]=3 989 B8R1.5 O=C1CCCCC1=O 57324 [0,1,0,1,0,0|1,0,0]=3 990 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [0,1,0,1,0,0|1,0,0]=3 991 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [0,1,0,1,0,0|1,0,0]=3 992 B8R1.5 O=C1CCCC[C@@H]1F W17462 [0,1,0,1,0,0|1,0,0]=3 993 B8R1.5 O=C1CCNC[C@@H]1F 30735 [0,1,0,1,0,0|2,0,0]=4 994 B8R1.5 O=C1CCOC[C@@H]1F SC3231 [0,1,0,1,0,0|2,0,0]=4 995 B8R1.10 CCCOC1CNC1 28518 [0,1,0,1,0,0|1,0,1]=4 996 B8R1.22 C=C1OCCCCO1 A10906 [0,1,0,1,0,0|1,0,0]=3 997 B8R1.22 O=C1C=CCCCC1 S10329 [0,1,0,1,0,0|1,0,0]=3 998 B8R1.22 O=C1CCCCCN1 D70254 [0,1,0,1,0,0|1,0,0]=3 999 B8R1.22 O=C1CCCCCO1 D70255 [0,1,0,1,0,0|0,0,0]=2 1000 B8R1.22 O=C1CCCNCC1 VT1100 [0,1,0,1,0,0|1,0,0]=3 1001 B8R1.22 O=C1CCNCCN1 23498 [0,1,0,1,0,0|1,0,0]=3 1002 B8R1.22 O=C1CCOCCN1 F13212 [0,1,0,1,0,0|1,0,0]=3 1003 B8R1.22 O=C1CCSCCN1 W16383 [0,1,0,1,0,0|1,0,0]=3 1004 B8R1.22 O=C1CNCCCN1 71619 [0,1,0,1,0,0|1,0,0]=3 1005 B8R1.22 O=C1CNCCCN1 86465 [0,1,0,1,0,0|1,0,0]=3 1006 B8R1.38 COC(=O)C1CCC1 TD1247 [0,1,0,1,0,0|1,0,0]=3 1007 B8R1.38 COC(=O)C1CNC1 27444 [0,1,0,1,0,0|2,0,0]=4 1008 B8R1.38 COC(=O)[C@@H]1CCN1 63809 [0,1,0,1,0,0|2,0,0]=4 1009 B8R1.38 COC(=O)[C@@H]1CCN1 66102 [0,1,0,1,0,0|2,0,0]=4 1010 B8R1.38 NNC(=O)C1CCC1 P10255 [0,1,0,1,0,0|2,0,0]=4 1011 B8R1.38 O=C(CBr)C1CCC1 P18349 [0,1,0,1,0,0|1,0,0]=3 1012 B8R1.38 O=C(CCl)N1CCC1 71566 [0,1,0,1,0,0|1,0,0]=3 1013 B8R1.50 CC1=C(O)COC1=O 71338 [0,1,0,1,0,0|1,0,1]=4 1014 B8R1.50 CN1C(=O)CC[C@@H]1O 33572 [0,1,0,1,0,0|2,0,0]=4 1015 B8R1.50 C[C@H]1CCC(=O)N1C D86499 [0,1,0,1,0,0|1,0,0]=3 1016 B8R1.50 C[C@H]1CCN(C)C1=O F18318 [0,1,0,1,0,0|2,0,0]=4 1017 B8R1.50 O=C1COC(=O)[C@H]1Cl D89461 [0,1,0,1,0,0|1,0,1]=4 1018 B8R1.50 O=C1OC[C@H](O)[C@@H]1O S11960 [0,1,0,1,0,0|1,0,0]=3 1019 B8R1.7 C=C(C)C1=NCCO1 22001 [0,1,0,1,0,0|2,0,0]=4 1020 B8R1.7 CC(=O)C1=NCCS1 50518 [0,1,0,1,0,0|1,1,0]=4 1021 B8R1.7 CC(=O)C1CCCC1 83754 [0,1,0,1,0,0|1,0,0]=3 1022 B8R1.7 CC(=O)N1CCCC1 A12496 [0,1,0,1,0,0|1,0,0]=3 1023 B8R1.7 NC(=O)C1CCCC1 20928 [0,1,0,1,0,0|2,0,0]=4 1024 B8R1.7 NC(=O)[C@@H]1CCCN1 59577 [0,1,0,1,0,0|2,0,0]=4 1025 B8R1.7 NC(=O)[C@@H]1CCCN1 59579 [0,1,0,1,0,0|2,0,0]=4 1026 B8R1.7 NC(=O)[C@@H]1CCCN1 59581 [0,1,0,1,0,0|2,0,0]=4 1027 B8R1.7 NC(=O)[C@@H]1CCCN1 AC8100 [0,1,0,1,0,0|2,0,0]=4 1028 B8R1.7 NC(=O)[C@@H]1CCCN1 F10562 [0,1,0,1,0,0|2,0,0]=4 1029 B8R1.7 NC(=O)[C@@H]1CCCN1 P10052 [0,1,0,1,0,0|2,0,0]=4 1030 B8R1.7 NC(=O)[C@@H]1CCCO1 30997 [0,1,0,1,0,0|1,0,0]=3 1031 B8R1.7 NC(=O)[C@H]1CCNC1 37189 [0,1,0,1,0,0|2,0,0]=4 1032 B8R1.7 NC(=O)[C@H]1CCNC1 83250 [0,1,0,1,0,0|2,0,0]=4 1033 B8R1.7 O=C(Cl)C1CCCC1 D89509 [0,1,0,1,0,0|2,0,0]=4 1034 B8R1.7 O=C(O)C1=CCCC1 C10074 [0,1,0,1,0,0|2,0,0]=4 1035 B8R1.7 O=C(O)C1CCCC1 34069 [0,1,0,1,0,0|2,0,0]=4 1036 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [0,1,0,1,0,0|2,0,0]=4 1037 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [0,1,0,1,0,0|2,0,0]=4 1038 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [0,1,0,1,0,0|2,0,0]=4 1039 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [0,1,0,1,0,0|1,0,0]=3 1040 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [0,1,0,1,0,0|1,0,0]=3 1041 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [0,1,0,1,0,0|1,0,0]=3 1042 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [0,1,0,1,0,0|1,1,0]=4 1043 B8R1.7 O=C(O)[C@H]1CCNC1 27256 [0,1,0,1,0,0|2,0,0]=4 1044 B8R1.7 O=C(O)[C@H]1CCNC1 65300 [0,1,0,1,0,0|2,0,0]=4 1045 B8R1.7 O=C(O)[C@H]1CCNC1 65301 [0,1,0,1,0,0|2,0,0]=4 1046 B8R1.7 O=C(O)[C@H]1CCNC1 65434 [0,1,0,1,0,0|2,0,0]=4 1047 B8R1.7 O=C(O)[C@H]1CCOC1 66518 [0,1,0,1,0,0|2,0,0]=4 1048 B8R1.35 O=C(O)CCC1CC1 68386 [0,1,0,1,0,0|2,0,0]=4 1049 B8R1.35 O=C(O)\C=C\C1CC1 P15370 [0,1,0,1,0,0|2,0,0]=4 1050 B8R1.72 CC1(C)CNCCO1 P11839 [0,1,0,1,0,0|1,0,1]=4 1051 B8R1.72 O=S1(=O)CCCCN1 71476 [0,1,0,1,0,0|2,0,0]=4 1052 B8R1.72 O=S1(=O)CCCCO1 36714 [0,1,0,1,0,0|1,0,0]=3 1053 B8R1.72 O=S1(=O)OCCCO1 F20412 [0,1,0,1,0,0|2,0,0]=4 1054 B8R1.23 CC(=O)N1CC(N)C1 38350 [0,1,0,1,0,0|1,0,0]=3 1055 B8R1.23 CC(=O)N1CC(O)C1 AB7308 [0,1,0,1,0,0|1,0,0]=3 1056 B8R1.23 CC1CC(C(=O)O)C1 84166 [0,1,0,1,0,0|2,0,0]=4 1057 B8R1.23 O=C(O)C1CC(Cl)C1 P10434 [0,1,0,1,0,0|2,0,0]=4 1058 B8R1.23 O=C(O)C1CC(O)C1 25649 [0,1,0,1,0,0|2,0,0]=4 1059 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 38898 [0,1,0,1,0,0|2,0,0]=4 1060 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 P12186 [0,1,0,1,0,0|2,0,0]=4 1061 B8R1.54 N[C@H](C(=O)O)C1CC1 59336 [0,1,0,1,0,0|2,0,0]=4 1062 B8R1.54 N[C@H](C(=O)O)C1CC1 83153 [0,1,0,1,0,0|2,0,0]=4 1063 B8R1.54 O=C(O)C(=O)C1CC1 36361 [0,1,0,1,0,0|2,0,0]=4 1064 B8R1.78 CC1(C(=O)O)CCC1 26919 [0,1,0,1,0,0|2,0,0]=4 1065 B8R1.78 NC1(C(=O)O)CCC1 55032 [0,1,0,1,0,0|2,0,0]=4 1066 B8R1.78 NC1(C(=O)O)CCC1 67754 [0,1,0,1,0,0|2,0,0]=4 1067 B8R1.78 O=C(O)C1(Br)CCC1 CL4587 [0,1,0,1,0,0|2,0,0]=4 1068 B8R1.77 CC1(C)CC1C(N)=O 60322 [0,1,0,1,0,0|2,0,0]=4 1069 B8R1.77 CC1(C)C[C@@H]1C(=O)O CL4550 [0,1,0,1,0,0|2,0,0]=4 1070 B8R1.77 CC1(C)C[C@@H]1C(=O)O P17495 [0,1,0,1,0,0|2,0,0]=4 1071 B8R1.77 CC1(C)C[C@@H]1C(N)=O 36676 [0,1,0,1,0,0|2,0,0]=4