0 B10R0.96 CC(=C)CC(=O)NCC(F)F Amb24756526 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.96 CC(=C)CNC(=O)CC(N)=O Amb25372121 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.96 CC(=C)CNC(=O)CC(O)=O Amb24755303 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.96 CC(=CC(C)=O)NCC(C)C Amb25737004 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.96 CC(=CC(C)=O)NC[C@H](C)N Amb25189146 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.96 CC(=O)CC(=O)NCC(C)=C Amb25384806 [0,0,0,0,0,0|1,0,2]=3 6 B10R0.96 CC(=O)CC(=O)NCC(C)O Amb18787833 [0,0,0,0,0,0|2,0,0]=2 7 B10R0.96 CC(=O)CC(=O)NCC(N)=O Amb18179799 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.96 CC(=O)CC(=O)NCC(O)=O Amb19011373 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.96 CC(=O)CC(=O)NC[C@@H](C)O Amb24765068 [0,0,0,0,0,0|2,0,0]=2 10 B10R0.96 CC(=O)CC(=O)NOC(C)C Amb24765363 [0,0,0,0,0,0|2,0,0]=2 11 B10R0.96 CC(=O)CNC(=O)CC(C)=O Amb25384669 [0,0,0,0,0,0|2,0,1]=3 12 B10R0.96 CC(=O)NC(=O)CCC(C)Cl Amb24677622 [0,0,0,0,0,0|3,0,0]=3 13 B10R0.96 CC(=O)NC(=O)NCC(Cl)Cl Amb24487836 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.96 CC(=O)NNC(=O)CC(C)=O Amb25807591 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.96 CC(=O)\C=C(/O)\CCC(C)C Amb24766968 [0,0,0,0,0,0|1,0,2]=3 16 B10R0.96 CC(C)=CC(=O)CSC(C)C Amb24761894 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.96 CC(C)=CC(=O)NCC(C)N Amb18112516 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.96 CC(C)=CC(=O)NC[C@@H](C)O Amb24591667 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.96 CC(C)=CC(=O)NOC(C)C Amb24518069 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.96 CC(C)=CC(=O)\C=C\C(C)C Amb24384645 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.96 CC(C)=COC(=O)CC(C)=O Amb24765446 [0,0,0,0,0,0|0,0,2]=2 22 B10R0.96 CC(C)=NNC(=O)CC(O)=O Amb25145872 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.96 CC(C)C#CC(=O)CC(C)C Amb25044277 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.96 CC(C)CC(=O)NCC(C)N Amb18112433 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.96 CC(C)CC(=O)NCN(C)C Amb25384744 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.96 CC(C)CCC(=O)NC(C)C Amb25383086 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.96 CC(C)CCC(=O)NC(N)=O Amb25722663 [0,0,0,0,0,0|3,0,0]=3 28 B10R0.96 CC(C)CCC(C)NC(C)=O Amb25379480 [0,0,0,0,0,0|3,0,1]=4 29 B10R0.96 CC(C)CNC(=N)CC(C)C Amb25379644 [0,0,0,0,0,0|3,0,1]=4 30 B10R0.96 CC(C)CNC(=O)CC(C)N Amb18303295 [0,0,0,0,0,0|2,0,1]=3 31 B10R0.96 CC(C)CNC(=O)CC(C)O Amb25385998 [0,0,0,0,0,0|1,0,2]=3 32 B10R0.96 CC(C)CNC(=O)CC(N)=N Amb22913276 [0,0,0,0,0,0|3,0,0]=3 33 B10R0.96 CC(C)CNC(=O)CS(C)=O Amb25385767 [0,0,0,0,0,0|2,0,0]=2 34 B10R0.96 CC(C)COC(=N)NC(N)=N Amb25242525 [0,0,0,0,0,0|4,0,0]=4 35 B10R0.96 CC(C)COC(=O)CC(C)C Amb22167374 [0,0,0,0,0,0|1,0,1]=2 36 B10R0.96 CC(C)COC(=O)NC(N)=S Amb25189293 [0,0,0,0,0,0|2,1,0]=3 37 B10R0.96 CC(C)COC(=O)NN(C)C Amb24756036 [0,0,0,0,0,0|3,0,0]=3 38 B10R0.96 CC(C)COC(C)NC(C)=O Amb25384745 [0,0,0,0,0,0|2,0,1]=3 39 B10R0.96 CC(C)N=CC(=O)CC(C)C Amb24765330 [0,0,0,0,0,0|3,0,1]=4 40 B10R0.96 CC(C)NC(=O)OCC(C)O Amb25384619 [0,0,0,0,0,0|3,0,1]=4 41 B10R0.96 CC(C)NC(=O)SCC(C)C Amb24765057 [0,0,0,0,0,0|2,1,1]=4 42 B10R0.96 CC(C)OCC(=O)NC(N)=O Amb24747311 [0,0,0,0,0,0|4,0,0]=4 43 B10R0.96 CC(C)ONC(=O)CC(C)C Amb24762886 [0,0,0,0,0,0|3,0,1]=4 44 B10R0.96 CC(C)ONC(=O)CC(C)N Amb24762907 [0,0,0,0,0,0|3,0,1]=4 45 B10R0.96 CC(C)ONC(=O)CN(C)C Amb24762892 [0,0,0,0,0,0|4,0,0]=4 46 B10R0.96 CC(C)SC(=O)NCC(C)C Amb24765060 [0,0,0,0,0,0|3,0,1]=4 47 B10R0.96 CC(CC(C)=O)=NCC(C)O Amb24764987 [0,0,0,0,0,0|3,0,0]=3 48 B10R0.96 CC(CNC(=O)CC(=O)O)C Amb17400041 [0,0,0,0,0,0|2,0,0]=2 49 B10R0.96 CC(CNC(=O)NC(C)C)C Amb16947891 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.96 CC(N)CCC(=O)NC(N)=O Amb24649550 [0,0,0,0,0,0|4,0,0]=4 51 B10R0.96 CC(N)CNC(=O)CC(C)N Amb24750970 [0,0,0,0,0,0|3,0,1]=4 52 B10R0.96 CC(N)CNC(=O)CC(N)=O Amb24750969 [0,0,0,0,0,0|3,0,0]=3 53 B10R0.96 CC(O)CNC(=O)CC(C)N Amb18303379 [0,0,0,0,0,0|3,0,1]=4 54 B10R0.96 CC(O)CNC(=O)CC(O)=O Amb18183448 [0,0,0,0,0,0|3,0,0]=3 55 B10R0.96 CC(S)CCC(=O)NC(N)=O Amb25124719 [0,0,0,0,0,0|4,0,0]=4 56 B10R0.96 CN(C)CCC(=O)NC(N)=O Amb25712406 [0,0,0,0,0,0|4,0,0]=4 57 B10R0.96 C\C(=C/C(C)=O)\NCC(C)C Amb25735724 [0,0,0,0,0,0|2,0,1]=3 58 B10R0.96 C\C(=C/C(C)=O)\OCC(C)C Amb24765284 [0,0,0,0,0,0|1,0,1]=2 59 B10R0.96 C\C(=C\C(C)=O)\NCC(C)N Amb24486298 [0,0,0,0,0,0|3,0,1]=4 60 B10R0.96 C\C(=C\C(C)=O)\OCC(C)C Amb24766750 [0,0,0,0,0,0|1,0,1]=2 61 B10R0.96 C\C(\CC(C)=O)=N\CC(C)O Amb24765215 [0,0,0,0,0,0|3,0,0]=3 62 B10R0.96 C\C(\N)=C\C(=O)CCC(C)C Amb24766266 [0,0,0,0,0,0|2,0,1]=3 63 B10R0.96 C\C(\N)=C\C(=O)NOC(C)C Amb24635573 [0,0,0,0,0,0|3,0,1]=4 64 B10R0.96 C\C(\O)=C\C(=O)CCC(C)C Amb24766964 [0,0,0,0,0,0|1,0,2]=3 65 B10R0.96 NC(=O)CC(=O)NCC(F)F Amb24751157 [0,0,0,0,0,0|4,0,0]=4 66 B10R0.96 OC(=O)CCC(=O)CC(=O)C Amb10843902 [0,0,0,0,0,0|3,0,1]=4 67 B10R0.96 OC(=O)C[13CH2][13C](=O)[13CH2][13C](=O)[13CH3] Amb17620214 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.4 C#CCOC(=O)CC(O)=O Amb25786021 [1,0,0,0,0,0|1,0,2]=4 69 B9R0.4 C=CCOC(=O)CC(=O)[O-] Amb10601582 [1,0,0,0,0,0|1,0,2]=4 70 B9R0.4 C=CCOC(=O)CC(N)=O Amb24429813 [1,0,0,0,0,0|1,0,2]=4 71 B9R0.4 C=CCOC(=O)CC(O)=O Amb18644068 [1,0,0,0,0,0|1,0,2]=4 72 B9R0.4 CC(=C)CC(=O)CCCC Amb25303713 [1,0,0,0,0,0|2,0,0]=3 73 B9R0.4 CC(=C)CC(=O)CCCO Amb24657665 [1,0,0,0,0,0|3,0,0]=4 74 B9R0.4 CC(=C)CC(=O)CCNC Amb25744681 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.4 CC(=C)CC(=O)CNCC Amb25843637 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.4 CC(=C)CC(=O)NCCC Amb24482634 [1,0,0,0,0,0|2,0,0]=3 77 B9R0.4 CC(=CC(O)=O)OCCC Amb24629232 [1,0,0,0,0,0|2,0,1]=4 78 B9R0.4 CC(=N)CC(=O)CCCC Amb25090358 [1,0,0,0,0,0|2,0,0]=3 79 B9R0.4 CC(=N)CC(=O)COCC Amb25146788 [1,0,0,0,0,0|3,0,0]=4 80 B9R0.4 CC(=O)CC(=N)COCC Amb24478367 [1,0,0,0,0,0|3,0,0]=4 81 B9R0.4 CC(=O)CC(=O)CCC#C Amb25837200 [1,0,0,0,0,0|1,0,2]=4 82 B9R0.4 CC(=O)CC(=O)CCC#N Amb25146878 [1,0,0,0,0,0|2,0,1]=4 83 B9R0.4 CC(=O)CC(=O)CCC=C Amb25251407 [1,0,0,0,0,0|1,0,2]=4 84 B9R0.4 CC(=O)CC(=O)CCC=O Amb25365156 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.4 CC(=O)CC(=O)CCCBr Amb24477432 [1,0,0,0,0,0|2,0,0]=3 86 B9R0.4 CC(=O)CC(=O)CCCC Amb22347234 [1,0,0,0,0,0|1,0,0]=2 87 B9R0.4 CC(=O)CC(=O)CCOC Amb25760850 [1,0,0,0,0,0|2,0,0]=3 88 B9R0.4 CC(=O)CC(=O)COCC Amb23482990 [1,0,0,0,0,0|2,0,0]=3 89 B9R0.4 CC(=O)CC(=O)C\C=C\C Amb24512678 [1,0,0,0,0,0|1,0,2]=4 90 B9R0.4 CC(=O)CC(=O)NCCN Amb19011382 [1,0,0,0,0,0|2,0,0]=3 91 B9R0.4 CC(=O)CC(=O)NCCS Amb25798412 [1,0,0,0,0,0|2,0,0]=3 92 B9R0.4 CC(=O)CC(=O)NOCC Amb25146795 [1,0,0,0,0,0|2,0,0]=3 93 B9R0.4 CC(=O)CC(=O)OCC#C Amb25322779 [1,0,0,0,0,0|0,0,2]=3 94 B9R0.4 CC(=O)CC(=O)OCCCl Amb20620698 [1,0,0,0,0,0|1,0,0]=2 95 B9R0.4 CC(=O)CC(=O)OCCO Amb24620465 [1,0,0,0,0,0|1,0,0]=2 96 B9R0.4 CC(=O)CC(=O)OCCS Amb25263652 [1,0,0,0,0,0|1,0,0]=2 97 B9R0.4 CC(=O)CC(=O)ON=CC Amb25267936 [1,0,0,0,0,0|1,0,1]=3 98 B9R0.4 CC(=O)CC(=O)O[BrH]CC Amb24609870 [1,0,0,0,0,0|1,0,0]=2 99 B9R0.4 CC(=O)CC(=O)SCC=C Amb24582511 [1,0,0,0,0,0|0,1,2]=4 100 B9R0.4 CC(=O)CC(=O)SCCO Amb24416749 [1,0,0,0,0,0|1,1,0]=3 101 B9R0.4 CC(=O)CC(=O)\C=C\CC Amb24686488 [1,0,0,0,0,0|1,0,1]=3 102 B9R0.4 CC(=O)NC(=O)CNCC Amb25710685 [1,0,0,0,0,0|3,0,0]=4 103 B9R0.4 CC(=O)NC(=O)NCCC Amb24684678 [1,0,0,0,0,0|2,0,0]=3 104 B9R0.4 CC(=O)NC(=O)OCC#C Amb24668987 [1,0,0,0,0,0|1,0,2]=4 105 B9R0.4 CC(=O)NC(=S)SCCC Amb25212880 [1,0,0,0,0,0|1,2,0]=4 106 B9R0.4 CC(=O)\C=C(/Cl)\CCCC Amb25712728 [1,0,0,0,0,0|2,0,1]=4 107 B9R0.4 CC(=O)\C=C(/N)\CCCC Amb25317904 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.4 CC(=O)\C=C(/N)\SCCC Amb24415410 [1,0,0,0,0,0|1,1,1]=4 109 B9R0.4 CC(=S)NC(=O)CCCC Amb24435382 [1,0,0,0,0,0|2,1,0]=4 110 B9R0.4 CC(C)=CC(=O)OCCC Amb24365275 [1,0,0,0,0,0|1,0,1]=3 111 B9R0.4 CC(C)=CC(=O)OCCCl Amb25723035 [1,0,0,0,0,0|2,0,1]=4 112 B9R0.4 CC(C)=CC(=O)OCCF Amb22641479 [1,0,0,0,0,0|2,0,1]=4 113 B9R0.4 CC(C)=CC(=O)OCCN Amb24761459 [1,0,0,0,0,0|2,0,1]=4 114 B9R0.4 CC(C)=CC(=O)OCOC Amb24509399 [1,0,0,0,0,0|2,0,1]=4 115 B9R0.4 CC(C)CC(=O)OCCCl Amb24065568 [1,0,0,0,0,0|2,0,1]=4 116 B9R0.4 CC(C)CC(=O)OCCF Amb25346397 [1,0,0,0,0,0|2,0,1]=4 117 B9R0.4 CC(CC(C)=O)=NCCO Amb24662323 [1,0,0,0,0,0|3,0,0]=4 118 B9R0.4 CCCCC(=C)CC(O)=O Amb18643896 [1,0,0,0,0,0|3,0,0]=4 119 B9R0.4 CCCCC(=O)CC(C)C Amb10807381 [1,0,0,0,0,0|2,0,1]=4 120 B9R0.4 CCCCC(=O)C[C@@H](C)O Amb24752471 [1,0,0,0,0,0|1,0,2]=4 121 B9R0.4 CCCCC(=O)C[C@H](C)O Amb24582786 [1,0,0,0,0,0|1,0,2]=4 122 B9R0.4 CCCCC(C)CC(C)=O Amb25051695 [1,0,0,0,0,0|2,0,1]=4 123 B9R0.4 CCCCS(=O)CC(C)=O Amb25139843 [1,0,0,0,0,0|2,0,0]=3 124 B9R0.4 CCCCS(=O)CC(O)=O Amb18792577 [1,0,0,0,0,0|3,0,0]=4 125 B9R0.4 CCCC[C@H](O)CC(C)=O Amb25245692 [1,0,0,0,0,0|1,0,2]=4 126 B9R0.4 CCCC\C(\C)=C\C(C)=O Amb24698890 [1,0,0,0,0,0|2,0,1]=4 127 B9R0.4 CCCN=C(C)CC(C)=O Amb24707162 [1,0,0,0,0,0|2,0,0]=3 128 B9R0.4 CCCNC(=N)CC(N)=O Amb24482890 [1,0,0,0,0,0|3,0,0]=4 129 B9R0.4 CCCNC(=O)CC(=O)O Amb17399888 [1,0,0,0,0,0|2,0,0]=3 130 B9R0.4 CCCNC(=O)CC(C)N Amb19004098 [1,0,0,0,0,0|2,0,1]=4 131 B9R0.4 CCCNC(=O)CC(N)=N Amb22913273 [1,0,0,0,0,0|3,0,0]=4 132 B9R0.4 CCCNC(=O)CC(N)=O Amb25355941 [1,0,0,0,0,0|2,0,0]=3 133 B9R0.4 CCCNC(=O)CN(C)C Amb19978834 [1,0,0,0,0,0|3,0,0]=4 134 B9R0.4 CCCNC(=O)NC(N)=O Amb25738585 [1,0,0,0,0,0|3,0,0]=4 135 B9R0.4 CCCN\C(\C)=C\C(C)=O Amb24467024 [1,0,0,0,0,0|2,0,1]=4 136 B9R0.4 CCCOC(=O)CC(=O)C Amb17593619 [1,0,0,0,0,0|0,0,0]=1 137 B9R0.4 CCCOC(=O)CC(C)O Amb24733872 [1,0,0,0,0,0|0,0,2]=3 138 B9R0.4 CCCOC(=O)CC(N)F Amb24746772 [1,0,0,0,0,0|2,0,1]=4 139 B9R0.4 CCCOC(=O)CN(C)C Amb24725765 [1,0,0,0,0,0|2,0,0]=3 140 B9R0.4 CCCOC(=O)C[C@@H](C)O Amb25334676 [1,0,0,0,0,0|0,0,2]=3 141 B9R0.4 CCCOC(=O)NC(C)C Amb25259218 [1,0,0,0,0,0|2,0,1]=4 142 B9R0.4 CCCOC(=O)NC(N)=O Amb25371946 [1,0,0,0,0,0|2,0,0]=3 143 B9R0.4 CCCOC(=O)NN(C)C Amb24406146 [1,0,0,0,0,0|3,0,0]=4 144 B9R0.4 CCCOC(=O)OC(C)Cl Amb25798803 [1,0,0,0,0,0|2,0,1]=4 145 B9R0.4 CCCO[C@H](C)CC(O)=O Amb24450437 [1,0,0,0,0,0|2,0,1]=4 146 B9R0.4 CCCSC(=O)NC(N)=O Amb24415236 [1,0,0,0,0,0|2,1,0]=4 147 B9R0.4 CCCSC(C)CC(C)=O Amb24456282 [1,0,0,0,0,0|1,1,1]=4 148 B9R0.4 CCC\C=C(/C)\CC(C)=O Amb25146596 [1,0,0,0,0,0|2,0,0]=3 149 B9R0.4 CCON=C(C)CC(C)=O Amb25371763 [1,0,0,0,0,0|3,0,0]=4 150 B9R0.4 CC[ClH]CC(=O)CC([O-])=O Amb22274860 [1,0,0,0,0,0|3,0,0]=4 151 B9R0.4 COCCS(=O)CC(C)=O Amb25277844 [1,0,0,0,0,0|3,0,0]=4 152 B9R0.4 COCOC(C)CC(C)=O Amb25146513 [1,0,0,0,0,0|2,0,1]=4 153 B9R0.4 COCO[C@H](C)CC(C)=O Amb25320140 [1,0,0,0,0,0|2,0,1]=4 154 B9R0.4 COCO\C(\C)=C\C(C)=O Amb24709327 [1,0,0,0,0,0|2,0,1]=4 155 B9R0.4 C\C(\CC(C)=O)=N\CCS Amb25073348 [1,0,0,0,0,0|3,0,0]=4 156 B9R0.4 C\C(\N)=C\C(=O)CCCC Amb24608603 [1,0,0,0,0,0|2,0,1]=4 157 B9R0.4 C\C(\N)=C\C(=O)OCCC Amb22755773 [1,0,0,0,0,0|1,0,1]=3 158 B9R0.4 C\C(\O)=C/C(=O)CCCC Amb25146869 [1,0,0,0,0,0|1,0,2]=4 159 B9R0.4 C\C(\O)=C\C(=O)CCCC Amb25729180 [1,0,0,0,0,0|1,0,2]=4 160 B9R0.4 C\C(\O)=C\C(=O)OCCC Amb24595160 [1,0,0,0,0,0|0,0,2]=3 161 B9R0.4 NC(=O)CC(=O)NCCF Amb25316946 [1,0,0,0,0,0|3,0,0]=4 162 B9R0.4 NC(=O)NC(=O)OCCCl Amb10610403 [1,0,0,0,0,0|3,0,0]=4 163 B9R0.4 NC(=O)NC(=O)OCCO Amb25142462 [1,0,0,0,0,0|3,0,0]=4 164 B9R0.4 OC(=O)CC(=O)NCCO Amb25683950 [1,0,0,0,0,0|3,0,0]=4 165 B9R0.4 OC(=O)CC(=O)OCCBr Amb24477342 [1,0,0,0,0,0|2,0,0]=3 166 B9R0.48 BrCCC(=O)NCC(C)C Amb17324139 [1,0,0,0,0,0|2,0,1]=4 167 B9R0.48 C=CCC(=O)OCC(C)C Amb10807377 [1,0,0,0,0,0|0,0,1]=2 168 B9R0.48 CC(=C)COC(=O)CC=C Amb24562746 [1,0,0,0,0,0|0,0,3]=4 169 B9R0.48 CC(=C)COC(=O)\C=C\C Amb25769210 [1,0,0,0,0,0|0,0,3]=4 170 B9R0.48 CC(=O)COC(=O)CC=C Amb24421309 [1,0,0,0,0,0|1,0,2]=4 171 B9R0.48 CC(=O)COC(=O)COC Amb24387702 [1,0,0,0,0,0|2,0,1]=4 172 B9R0.48 CC(=O)COC(=O)CSC Amb25724297 [1,0,0,0,0,0|2,0,1]=4 173 B9R0.48 CC(C)CCC(=O)CC#C Amb25337433 [1,0,0,0,0,0|1,0,2]=4 174 B9R0.48 CC(C)CCC(=O)CC=C Amb25850789 [1,0,0,0,0,0|1,0,1]=3 175 B9R0.48 CC(C)CCC(=O)CC=O Amb24640237 [1,0,0,0,0,0|1,0,0]=2 176 B9R0.48 CC(C)CCC(=O)N=C=O Amb25202030 [1,0,0,0,0,0|2,0,1]=4 177 B9R0.48 CC(C)CCC(C)CC=O Amb24366723 [1,0,0,0,0,0|2,0,1]=4 178 B9R0.48 CC(C)CCN(C)CC=O Amb24529242 [1,0,0,0,0,0|3,0,0]=4 179 B9R0.48 CC(C)CCS(=O)CC=O Amb24387124 [1,0,0,0,0,0|2,0,0]=3 180 B9R0.48 CC(C)CNC(=O)CCN Amb21957035 [1,0,0,0,0,0|2,0,1]=4 181 B9R0.48 CC(C)COC(=O)CC=O Amb24730671 [1,0,0,0,0,0|0,0,0]=1 182 B9R0.48 CC(C)COC(=O)CCO Amb24378616 [1,0,0,0,0,0|0,0,2]=3 183 B9R0.48 CC(C)COC(=O)N=[N+]=[N-] Amb24566154 [1,0,0,0,0,0|3,0,0]=4 184 B9R0.48 CC(C)COC(=O)NC#N Amb24619419 [1,0,0,0,0,0|2,0,1]=4 185 B9R0.48 CC(C)SCC(=O)CC=C Amb25770382 [1,0,0,0,0,0|2,0,1]=4 186 B9R0.48 CC(N)CCC(=O)CC=C Amb24655721 [1,0,0,0,0,0|2,0,1]=4 187 B9R0.48 CC(N)CNC(=O)CC=C Amb24731675 [1,0,0,0,0,0|2,0,1]=4 188 B9R0.48 CC(O)CNC(=O)CC=C Amb24476882 [1,0,0,0,0,0|2,0,1]=4 189 B9R0.48 CCCC(=N)NCC(C)C Amb25838230 [1,0,0,0,0,0|2,0,1]=4 190 B9R0.48 CCCC(=O)C#CC(C)C Amb25298568 [1,0,0,0,0,0|1,0,2]=4 191 B9R0.48 CCCC(=O)CSC(C)C Amb18800478 [1,0,0,0,0,0|2,0,1]=4 192 B9R0.48 CCCC(=O)NCC(C)C Amb17775257 [1,0,0,0,0,0|1,0,1]=3 193 B9R0.48 CCCC(=O)NCC(C)Cl Amb24405492 [1,0,0,0,0,0|2,0,1]=4 194 B9R0.48 CCCC(=O)NCC(C)N Amb18631379 [1,0,0,0,0,0|2,0,1]=4 195 B9R0.48 CCCC(=O)NC[C@@H](C)O Amb24524667 [1,0,0,0,0,0|2,0,1]=4 196 B9R0.48 CCCC(=O)OCC(F)F Amb22008230 [1,0,0,0,0,0|2,0,1]=4 197 B9R0.48 CCCC(=O)OCN(C)C Amb24068798 [1,0,0,0,0,0|1,0,1]=3 198 B9R0.48 CCCC(=O)OC[C@@H](C)O Amb24481127 [1,0,0,0,0,0|1,0,1]=3 199 B9R0.48 CCCC(=O)OC[C@H](C)O Amb25105938 [1,0,0,0,0,0|1,0,1]=3 200 B9R0.48 CCCC(=O)\C=C\C(C)C Amb25205668 [1,0,0,0,0,0|1,0,2]=4 201 B9R0.48 CCCC(=O)\C=N\C(C)C Amb25298469 [1,0,0,0,0,0|2,0,1]=4 202 B9R0.48 CCCS(=O)NCC(C)C Amb24551365 [1,0,0,0,0,0|2,0,1]=4 203 B9R0.48 CCNC(=O)SCC(C)C Amb24505238 [1,0,0,0,0,0|1,1,1]=4 204 B9R0.48 CCOC(=O)NCC(C)C Amb17862254 [1,0,0,0,0,0|2,0,1]=4 205 B9R0.48 CCOC(=O)OC[C@@H](C)O Amb24583968 [1,0,0,0,0,0|2,0,1]=4 206 B9R0.48 CCSC(=O)NCC(C)C Amb24360706 [1,0,0,0,0,0|2,0,1]=4 207 B9R0.48 CNCC(=O)COC(C)C Amb25302659 [1,0,0,0,0,0|3,0,0]=4 208 B9R0.48 CNCC(=O)NCC(C)C Amb21958765 [1,0,0,0,0,0|2,0,0]=3 209 B9R0.48 CNCC(=O)NC[C@H](C)O Amb24481142 [1,0,0,0,0,0|3,0,0]=4 210 B9R0.48 CNCC(=O)NOC(C)C Amb24409145 [1,0,0,0,0,0|3,0,0]=4 211 B9R0.48 CNCC(=O)OCC(C)C Amb24696299 [1,0,0,0,0,0|1,0,0]=2 212 B9R0.48 COCC(=N)NCC(C)C Amb25838234 [1,0,0,0,0,0|3,0,0]=4 213 B9R0.48 COCC(=O)CCC(C)N Amb24763448 [1,0,0,0,0,0|3,0,0]=4 214 B9R0.48 COCC(=O)COC(C)C Amb24470863 [1,0,0,0,0,0|3,0,0]=4 215 B9R0.48 COCC(=O)NCC(C)C Amb23247498 [1,0,0,0,0,0|2,0,0]=3 216 B9R0.48 COCC(=O)NCC(C)N Amb18112477 [1,0,0,0,0,0|3,0,0]=4 217 B9R0.48 COCC(=O)NCC(C)O Amb25330115 [1,0,0,0,0,0|3,0,0]=4 218 B9R0.48 COCC(=O)NC[C@@H](C)O Amb25318377 [1,0,0,0,0,0|3,0,0]=4 219 B9R0.48 COCC(=O)NC[C@H](C)O Amb25098985 [1,0,0,0,0,0|3,0,0]=4 220 B9R0.48 COCC(=O)NOC(C)C Amb24364041 [1,0,0,0,0,0|3,0,0]=4 221 B9R0.48 COCC(=O)OCC(C)C Amb25806226 [1,0,0,0,0,0|1,0,0]=2 222 B9R0.48 COCC(=O)OCC(C)O Amb24482899 [1,0,0,0,0,0|2,0,0]=3 223 B9R0.48 COCC(=O)OCC(F)F Amb25740267 [1,0,0,0,0,0|3,0,0]=4 224 B9R0.48 CONC(=O)NCC(C)C Amb25845982 [1,0,0,0,0,0|3,0,0]=4 225 B9R0.48 CSCC(=N)NCC(C)C Amb25297619 [1,0,0,0,0,0|3,0,0]=4 226 B9R0.48 CSCC(=O)CCC(C)C Amb18182561 [1,0,0,0,0,0|2,0,0]=3 227 B9R0.48 CSCC(=O)NCC(C)Br Amb24659184 [1,0,0,0,0,0|3,0,0]=4 228 B9R0.48 CSCC(=O)NC[C@H](C)O Amb25086277 [1,0,0,0,0,0|3,0,0]=4 229 B9R0.48 C[C@H](O)CNC(=O)CC=C Amb24478423 [1,0,0,0,0,0|2,0,1]=4 230 B9R0.48 C\C=C\C(=O)C=CC(C)C Amb25179557 [1,0,0,0,0,0|1,0,2]=4 231 B9R0.48 C\C=C\C(=O)CCC(C)C Amb25713700 [1,0,0,0,0,0|1,0,1]=3 232 B9R0.48 C\C=C\C(=O)CCN(C)C Amb24550530 [1,0,0,0,0,0|2,0,1]=4 233 B9R0.48 C\C=C\C(=O)COC(C)C Amb24359955 [1,0,0,0,0,0|2,0,1]=4 234 B9R0.48 C\C=C\C(=O)NCC(C)C Amb25138088 [1,0,0,0,0,0|1,0,1]=3 235 B9R0.48 C\C=C\C(=O)NCC(C)N Amb24443509 [1,0,0,0,0,0|2,0,1]=4 236 B9R0.48 C\C=C\C(=O)OCC(C)C Amb15692586 [1,0,0,0,0,0|0,0,1]=2 237 B9R0.48 C\C=C\C(=O)OCC(F)F Amb22274750 [1,0,0,0,0,0|2,0,1]=4 238 B9R0.48 C\C=C\C(=O)\C=C\C(C)C Amb24694566 [1,0,0,0,0,0|1,0,2]=4 239 B9R0.48 ClCCC(=O)NCC(C)C Amb1139656 [1,0,0,0,0,0|2,0,1]=4 240 B9R0.48 Cl\C=C\C(=O)CCC(C)C Amb17594013 [1,0,0,0,0,0|2,0,1]=4 241 B9R0.48 N#CCC(=O)NCC(C)C Amb1673126 [1,0,0,0,0,0|2,0,1]=4 242 B9R0.48 NCCC(=O)NCC(C)C Amb1131997 [1,0,0,0,0,0|2,0,1]=4 243 B9R0.48 OCCC(=O)NCC(C)C Amb17334239 [1,0,0,0,0,0|1,0,2]=4 244 B9R0.55 CC(=O)CCOCC(C)=C Amb25146699 [1,0,0,0,0,0|0,0,3]=4 245 B9R0.55 CC(=O)C\C=C\CC(C)=O Amb25227383 [1,0,0,0,0,0|2,0,1]=4 246 B9R0.55 CC(C)=COCCC(C)=O Amb25718461 [1,0,0,0,0,0|0,0,3]=4 247 B9R0.55 CC(C)=C\C=C\CC(C)=O Amb24646499 [1,0,0,0,0,0|1,0,2]=4 248 B9R0.55 CC(C)CCCCC(=O)Cl Amb25067489 [1,0,0,0,0,0|2,0,1]=4 249 B9R0.55 CC(C)CCCCC([O-])=O Amb22732968 [1,0,0,0,0,0|2,0,1]=4 250 B9R0.55 CC(C)CCCNC(C)=O Amb25756283 [1,0,0,0,0,0|2,0,1]=4 251 B9R0.55 CC(C)CCCOC(C)=O Amb24401009 [1,0,0,0,0,0|2,0,1]=4 252 B9R0.55 CC(C)CCOCC(N)=O Amb25055946 [1,0,0,0,0,0|3,0,0]=4 253 B9R0.55 CC(C)CCONC(C)=O Amb25822328 [1,0,0,0,0,0|3,0,0]=4 254 B9R0.55 CC(C)CC\C=C\C(C)=O Amb25111718 [1,0,0,0,0,0|1,0,1]=3 255 B9R0.55 CC(C)CNCCC(C)=C Amb24477971 [1,0,0,0,0,0|2,0,1]=4 256 B9R0.55 CC(C)CNCCS(C)=O Amb24717669 [1,0,0,0,0,0|2,0,1]=4 257 B9R0.55 CC(C)CNOCC(C)=O Amb24478134 [1,0,0,0,0,0|2,0,0]=3 258 B9R0.55 CC(C)CNOCC(N)=O Amb24667538 [1,0,0,0,0,0|3,0,0]=4 259 B9R0.55 CC(C)COCCC(C)O Amb24478037 [1,0,0,0,0,0|0,0,3]=4 260 B9R0.55 CC(C)CONCC(=C)Cl Amb25736129 [1,0,0,0,0,0|2,0,1]=4 261 B9R0.55 CC(C)CONCC(O)=O Amb24740299 [1,0,0,0,0,0|2,0,0]=3 262 B9R0.55 CC(C)CO\C=C\C(C)=O Amb24569665 [1,0,0,0,0,0|0,0,1]=2 263 B9R0.55 CC(C)CO\C=C\C(O)=O Amb18644129 [1,0,0,0,0,0|1,0,1]=3 264 B9R0.55 CC(C)CSCCC(C)=C Amb24660945 [1,0,0,0,0,0|1,1,1]=4 265 B9R0.55 CC(C)CSCCC(N)=O Amb18798041 [1,0,0,0,0,0|1,1,1]=4 266 B9R0.55 CC(C)C\C=C\CC(C)Br Amb24519908 [1,0,0,0,0,0|2,0,1]=4 267 B9R0.55 CC(C)C\C=C\CC(O)=O Amb24681011 [1,0,0,0,0,0|2,0,0]=3 268 B9R0.55 CC(C)SCCCC(C)=O Amb18792293 [1,0,0,0,0,0|2,0,1]=4 269 B9R0.55 CC(C)\C=C\OCC(C)=O Amb24736419 [1,0,0,0,0,0|2,0,1]=4 270 B9R0.55 CC(CCCCC(=O)O)C Amb10576144 [1,0,0,0,0,0|2,0,1]=4 271 B9R0.55 CC(CCNCC(=C)C)C Amb17317917 [1,0,0,0,0,0|3,0,0]=4 272 B9R0.55 CC(CCNCC(=O)N)C Amb1112311 [1,0,0,0,0,0|3,0,0]=4 273 B9R0.55 CC(CCNCC(=O)O)C Amb1111021 [1,0,0,0,0,0|3,0,0]=4 274 B9R0.55 CC(CCSCC(=O)O)C Amb1137397 [1,0,0,0,0,0|3,0,0]=4 275 B9R0.55 CC(CC\C=C\C(=O)O)C Amb17593603 [1,0,0,0,0,0|2,0,1]=4 276 B9R0.55 CC(CNCCC(=O)O)C Amb10609230 [1,0,0,0,0,0|2,0,1]=4 277 B9R0.55 CC(CNCCC(=O)O)C Amb2372367 [1,0,0,0,0,0|2,0,1]=4 278 B9R0.55 CC(F)CCCCC(C)=O Amb25145595 [1,0,0,0,0,0|2,0,1]=4 279 B9R0.55 CC(F)CCSCC(C)=O Amb25097655 [1,0,0,0,0,0|3,0,0]=4 280 B9R0.55 CC(F)COCCC(O)=O Amb25268355 [1,0,0,0,0,0|2,0,1]=4 281 B9R0.55 CC(O)COCCC(O)=O Amb24746704 [1,0,0,0,0,0|2,0,1]=4 282 B9R0.55 C[C@@H](O)CCCCC(C)=O Amb25114746 [1,0,0,0,0,0|2,0,1]=4 283 B11R0.33 CC(C)C(N)CC(=O)NC(N)=O Amb25156535 [0,1,0,0,0,0|3,0,0]=4 284 B11R0.33 CC(OC(=O)NC(N)=O)C(C)Cl Amb25320928 [0,1,0,0,0,0|3,0,0]=4 285 B11R0.34 CC(C)CNC(=O)NS(C)(=O)=O Amb25701794 [0,1,0,0,0,0|3,0,0]=4 286 B11R0.93 CC(C)CNC(=O)NC(=O)CBr Amb25352313 [0,1,0,0,0,0|2,0,0]=3 287 B11R0.93 CC(C)CNC(=O)NC(=O)CF Amb24392133 [0,1,0,0,0,0|2,0,0]=3 288 B11R0.93 CC(CC(=O)NCC(C)C)C#N Amb17334737 [0,1,0,0,0,0|2,0,1]=4 289 B11R0.93 COC(=O)CC(=O)NCC(=O)C Amb2234019 [0,1,0,0,0,0|2,0,1]=4 290 B11R0.93 COC(=O)NC(=S)NCC(C)C Amb25798186 [0,1,0,0,0,0|2,1,0]=4 291 B11R0.107 CC(C)CC(=O)OCC(C)CC Amb22351383 [0,1,0,0,0,0|1,0,1]=3 292 B11R0.107 COC(=O)CCC(=O)CC(=O)C Amb17334875 [0,1,0,0,0,0|2,0,1]=4 293 B11R0.149 CC(C)C[C@@H](N)C(=O)NC(N)=O Amb25154111 [0,1,0,0,0,0|3,0,0]=4 294 B11R0.173 CC(C)=C(C)C(=O)NCC(C)C Amb25154647 [0,1,0,0,0,0|2,0,1]=4 295 B11R0.173 CC(C)=C(F)C(=O)NCC(C)C Amb24660907 [0,1,0,0,0,0|2,0,1]=4 296 B11R0.173 CC(C)C(N)C(=O)NCC(C)C Amb21958766 [0,1,0,0,0,0|2,0,1]=4 297 B11R0.173 CC(C)[C@@H](N)C(=O)NCC(C)C Amb18014666 [0,1,0,0,0,0|2,0,1]=4 298 B11R0.337 CC(=O)NC(=O)CSC(C)(C)C Amb24355050 [0,1,0,0,0,0|3,0,0]=4 299 B11R0.337 CC(C)=CC(=O)NCC(C)(C)C Amb25853088 [0,1,0,0,0,0|2,0,1]=4 300 B11R0.337 CC(C)=CC(=O)NCC(C)(C)O Amb24756313 [0,1,0,0,0,0|2,0,1]=4 301 B11R0.337 C\C(=C/C(C)=O)\NCC(C)(C)N Amb25838658 [0,1,0,0,0,0|2,0,1]=4 302 B11R0.337 C\C(=C\C(C)=O)\NCC(C)(C)N Amb25765584 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.20 CC(=O)CC=1CCN(C)CC1 Amb25359049 [0,0,0,1,0,0|3,0,0]=4 304 B11R1.20 CC(=O)OC=1CCC(C)CC1 Amb22009475 [0,0,0,1,0,0|3,0,0]=4 305 B11R1.20 CC1CC=C(CC1)CC(N)=O Amb24415324 [0,0,0,1,0,0|3,0,0]=4 306 B11R1.20 CC1CCC(CC(C)=O)CC1 Amb25042793 [0,0,0,1,0,0|2,0,1]=4 307 B11R1.20 C[C@@H]1CC[C@@H](CC(C)=O)NC1 Amb25351666 [0,0,0,1,0,0|2,0,1]=4 308 B11R1.20 C[C@H]1CC[C@@H](CC(C)=O)NC1 Amb24519236 [0,0,0,1,0,0|2,0,1]=4 309 B11R1.74 CC(C)=C1OC(=O)CC(=O)O1 Amb25381252 [0,0,0,1,0,0|1,0,2]=4 310 B11R1.74 CC(C)C1CC(=O)C=C(N)C1 Amb25724936 [0,0,0,1,0,0|2,0,1]=4 311 B11R1.74 CC(C)C1CC(=O)CC(C)N1 Amb25761975 [0,0,0,1,0,0|2,0,1]=4 312 B11R1.74 CC(C)C1CC(=O)NC(=O)N1 Amb25061025 [0,0,0,1,0,0|2,0,0]=3 313 B11R1.74 CC(C)C1CC(=O)NC(N)=N1 Amb19888774 [0,0,0,1,0,0|3,0,0]=4 314 B11R1.74 CC(C)C1CC(=O)OC(=O)C1 Amb25808167 [0,0,0,1,0,0|2,0,0]=3 315 B11R1.74 CC(C)C1CC(=O)OC(=O)N1 Amb24484589 [0,0,0,1,0,0|2,0,0]=3 316 B11R1.74 CC(C)C1CC(Cl)=CC(=O)C1 Amb24486384 [0,0,0,1,0,0|2,0,1]=4 317 B11R1.74 CC(C)C1C[C@H](C)CC(=O)C1 Amb25282798 [0,0,0,1,0,0|2,0,1]=4 318 B11R1.74 CC(C)N1CC(=O)OC(=O)C1 Amb24763755 [0,0,0,1,0,0|3,0,0]=4 319 B11R1.74 CC(C)[C@@H]1C[C@@H](O)CC(=O)O1 Amb24711783 [0,0,0,1,0,0|0,0,2]=3 320 B11R1.74 CC(C)[C@@H]1C[C@H](O)CC(=O)O1 Amb25192021 [0,0,0,1,0,0|0,0,2]=3 321 B11R1.74 CC(C)[C@H]1C[C@@H](C)CC(=O)C1 Amb24540871 [0,0,0,1,0,0|2,0,1]=4 322 B11R1.74 CC(C)[C@H]1C[C@@H](O)CC(=O)N1 Amb24551459 [0,0,0,1,0,0|1,0,2]=4 323 B11R1.74 CC(N1CC(=O)NC(=O)C1)C Amb17334392 [0,0,0,1,0,0|3,0,0]=4 324 B11R1.74 CC1=CC(=O)CC(O1)C(C)C Amb24528905 [0,0,0,1,0,0|1,0,1]=3 325 B11R1.74 CC=1CC(=O)NC(C1)C(C)C Amb24484795 [0,0,0,1,0,0|2,0,0]=3 326 B11R1.74 CC=1CC(=O)N[C@H](C1)C(C)C Amb24068743 [0,0,0,1,0,0|2,0,0]=3 327 B11R1.74 CC=1CC(CC(=O)C1)C(C)C Amb25275191 [0,0,0,1,0,0|2,0,1]=4 328 B11R1.74 O=C1CC(CC(=O)C1)C(F)F Amb23589865 [0,0,0,1,0,0|3,0,0]=4 329 B11R1.75 CC(C)CCC1=CCC(=O)N1 Amb24460850 [0,0,0,1,0,0|3,0,0]=4 330 B11R1.75 CC(C)CCC1=NC(=O)CS1 Amb24601120 [0,0,0,1,0,0|2,1,0]=4 331 B11R1.75 CC(C)CCC1CC(=O)CC1 Amb25840235 [0,0,0,1,0,0|2,0,1]=4 332 B11R1.75 CC(C)CCC=1CCC(=O)C1 Amb24538288 [0,0,0,1,0,0|2,0,1]=4 333 B11R1.75 CC(C)CCC=1NC(=O)CN1 Amb25054660 [0,0,0,1,0,0|3,0,0]=4 334 B11R1.75 CC(C)CNC=1NC(=O)CN1 Amb25736650 [0,0,0,1,0,0|3,0,0]=4 335 B11R1.75 CC(C)COC1CC(=O)CC1 Amb24538202 [0,0,0,1,0,0|1,0,1]=3 336 B11R1.103 CC(C)CCC(=O)C1CC1C Amb25382388 [0,0,0,1,0,0|2,0,1]=4 337 B11R1.103 CC(C)CNC(=O)[C@@H]1C[C@H]1C Amb25729016 [0,0,0,1,0,0|2,0,1]=4 338 B11R1.103 C[C@@H]1C[C@H]1C(=O)OCC(C)O Amb25384071 [0,0,0,1,0,0|2,0,1]=4 339 B11R1.103 C[C@H]1C[C@@H]1C(=O)OCC(C)O Amb25380573 [0,0,0,1,0,0|2,0,1]=4 340 B11R1.106 CC(=O)CC(=O)NC1CC1C Amb18181961 [0,0,0,1,0,0|1,0,0]=2 341 B11R1.106 CC(C)CC(=O)NC1CC1C Amb25667709 [0,0,0,1,0,0|2,0,1]=4 342 B11R1.106 CC1CC1NC(=O)CC(C)N Amb18182123 [0,0,0,1,0,0|2,0,1]=4 343 B11R1.106 CC1CC1NC(=O)CC(N)=O Amb25796129 [0,0,0,1,0,0|2,0,0]=3 344 B11R1.106 CC1CC1NC(=O)CC(N)=S Amb18183704 [0,0,0,1,0,0|2,1,0]=4 345 B11R1.106 CC1CC1NC(=O)CC(O)=O Amb18298251 [0,0,0,1,0,0|2,0,0]=3 346 B11R1.106 CC1CC1NC(=O)CN(C)C Amb24747700 [0,0,0,1,0,0|3,0,0]=4 347 B11R1.152 CC(=C)CC(=O)N1CC(O)C1 Amb24621153 [0,0,0,1,0,0|3,0,0]=4 348 B11R1.152 CC(C)=CC(=O)N1CC(C)C1 Amb25355361 [0,0,0,1,0,0|2,0,1]=4 349 B11R1.152 CN(C)CC(=O)N1CC(C)C1 Amb25344587 [0,0,0,1,0,0|3,0,0]=4 350 B11R1.152 NC(=O)CC(=O)N1CC(O)C1 Amb24534057 [0,0,0,1,0,0|3,0,0]=4 351 B11R1.167 CC(=C)C1CC(C)CCC1=O Amb25151636 [0,0,0,1,0,0|2,0,0]=3 352 B11R1.167 CC(=C)N1CC(O)COC1=O Amb24474187 [0,0,0,1,0,0|3,0,0]=4 353 B11R1.167 CC(=O)C1CC(C)CCC1=O Amb18796760 [0,0,0,1,0,0|1,0,0]=2 354 B11R1.167 CC(=O)C1CC(C)CNC1=O Amb25366055 [0,0,0,1,0,0|1,0,0]=2 355 B11R1.167 CC(=O)C1CN(C)CCC1=O Amb20413989 [0,0,0,1,0,0|2,0,0]=3 356 B11R1.167 CC(=O)C=1CC(C)CCC1S Amb25373268 [0,0,0,1,0,0|1,1,1]=4 357 B11R1.167 CC(=O)N1CC(C)CCC1=O Amb25053361 [0,0,0,1,0,0|2,0,0]=3 358 B11R1.167 CC(C)C1C[C@@H](C)CCC1=O Amb24486431 [0,0,0,1,0,0|2,0,1]=4 359 B11R1.167 CC(C)C1NC(C)COC1=O Amb25366326 [0,0,0,1,0,0|2,0,1]=4 360 B11R1.167 CC(C)[C@@H]1C[C@@H](C)CCC1=O Amb24594194 [0,0,0,1,0,0|2,0,1]=4 361 B11R1.167 CC(C)[C@@H]1N[C@@H](C)COC1=O Amb24615689 [0,0,0,1,0,0|2,0,1]=4 362 B11R1.167 CC1CC(C(=O)NN1)C(O)=O Amb24609286 [0,0,0,1,0,0|3,0,0]=4 363 B11R1.167 CC1CCC(=O)C(C1)C(C)N Amb24609794 [0,0,0,1,0,0|2,0,1]=4 364 B11R1.167 CC1CNC(=O)C(N1)C(N)=O Amb24389702 [0,0,0,1,0,0|3,0,0]=4 365 B11R1.167 C\C(\N)=C\1/CC(C)CNC1=O Amb25108012 [0,0,0,1,0,0|2,0,1]=4 366 B11R1.167 NC1CC(C(=O)NC1)C(O)=O Amb24689369 [0,0,0,1,0,0|3,0,0]=4 367 B11R1.167 O=C(Cl)C1CC(Cl)CNC1=O Amb25150505 [0,0,0,1,0,0|3,0,0]=4 368 B11R1.348 CC(C)CNC(=O)CC1CC1 Amb25383073 [0,0,0,1,0,0|2,0,1]=4 369 B11R1.485 CC(=O)CC(=O)NCC1CC1 Amb18179580 [0,0,0,1,0,0|1,0,0]=2 370 B11R1.485 CC(C)=CC(=O)CCC1CC1 Amb25380189 [0,0,0,1,0,0|2,0,1]=4 371 B11R1.485 CC(C)=CC(=O)OCC1CC1 Amb25372108 [0,0,0,1,0,0|1,0,1]=3 372 B11R1.485 CC(C)CC(=O)NCC1CC1 Amb24755762 [0,0,0,1,0,0|2,0,1]=4 373 B11R1.485 CC(N)CC(=O)NCC1CC1 Amb18303307 [0,0,0,1,0,0|2,0,1]=4 374 B11R1.485 OC(=O)CC(=O)NCC1CC1 Amb18183139 [0,0,0,1,0,0|2,0,0]=3 375 B11R1.485 [O-][N+](=O)CC(=O)OCC1CC1 Amb24103394 [0,0,0,1,0,0|2,0,0]=3 376 B11R1.489 CC(O)C1OC(=O)CC1(C)O Amb25343568 [0,0,0,1,0,0|1,0,2]=4 377 B11R1.489 C[C@H](O)[C@@H]1OC(=O)CC1(C)O Amb25221392 [0,0,0,1,0,0|1,0,2]=4 378 B11R1.512 CC1(C)CC(=O)CC(=O)C=C1 Amb25334899 [0,0,0,1,0,0|1,0,1]=3 379 B11R1.512 CC1=CCC(C)(C)CC(=O)N1 Amb25857461 [0,0,0,1,0,0|3,0,0]=4 380 B11R1.512 CC1CC(=O)CC(C)(C)CC1 Amb25723220 [0,0,0,1,0,0|2,0,1]=4 381 B11R1.512 CC1CC(=O)CCC(C1)(C)C Amb17593859 [0,0,0,1,0,0|2,0,1]=4 382 B11R1.512 CC1CC(=O)NCC(C)(C)N1 Amb23455325 [0,0,0,1,0,0|2,0,1]=4 383 B11R1.512 CC=1CC(=O)NCC(C)(C)C1 Amb25748956 [0,0,0,1,0,0|2,0,0]=3 384 B11R1.512 CC=1CC(C)(C)CNC(=O)C1 Amb25119138 [0,0,0,1,0,0|2,0,1]=4 385 B11R1.512 CC=1CCC(C)(C)CC(=O)C1 Amb25718315 [0,0,0,1,0,0|2,0,1]=4 386 B11R1.584 CC(C)CC1C(=O)CC1(C)C Amb24486418 [0,0,0,1,0,0|2,0,1]=4 387 B11R1.645 CC(C)CC1CC(C)CC1=O Amb25032525 [0,0,0,1,0,0|2,0,1]=4 388 B11R1.645 CC(C)CC1NC(=O)CC1=O Amb23598534 [0,0,0,1,0,0|2,0,0]=3 389 B11R1.645 CC(C)CC1NC(=O)OC1=O Amb22388625 [0,0,0,1,0,0|3,0,0]=4 390 B11R1.645 CC(C)CC1NC(=O)SC1=O Amb25054571 [0,0,0,1,0,0|3,0,0]=4 391 B11R1.645 CC(C)CC1OC(=O)CC1=O Amb25050215 [0,0,0,1,0,0|2,0,0]=3 392 B11R1.645 CC(C)CN1CC(=O)NC1=O Amb18177455 [0,0,0,1,0,0|2,0,0]=3 393 B11R1.645 CC(C)CN1CC(O)CC1=O Amb25145910 [0,0,0,1,0,0|1,0,2]=4 394 B11R1.645 CC(C)C[C@@H]1C[C@@H](C)CC1=O Amb25373293 [0,0,0,1,0,0|2,0,1]=4 395 B11R1.645 CC(C)C[C@@H]1NC(=O)CC1=O Amb18830898 [0,0,0,1,0,0|2,0,0]=3 396 B11R1.645 CC(C)C[C@@H]1NC(=O)NC1=O Amb25028129 [0,0,0,1,0,0|3,0,0]=4 397 B11R1.645 CC(C)C[C@H]1NC(=O)OC1=O Amb19883923 [0,0,0,1,0,0|3,0,0]=4 398 B11R1.645 CC(C)C[C@H]1OC(=O)CC1=O Amb25249048 [0,0,0,1,0,0|2,0,0]=3 399 B11R1.645 CC(C)\C=C/1\CC(=O)NC1=O Amb25169458 [0,0,0,1,0,0|2,0,1]=4 400 B11R1.645 CC(C)\C=C/1\CC(=O)OC1=O Amb24634616 [0,0,0,1,0,0|2,0,1]=4 401 B11R1.645 CC(CC1NC(=O)NC1=O)C Amb1105634 [0,0,0,1,0,0|3,0,0]=4 402 B11R1.645 CC=1C[C@H](CC(C)C)C(=O)C1 Amb25847974 [0,0,0,1,0,0|2,0,1]=4 403 B11R1.645 Cc1cc(=O)[n](CC(C)C)[nH]1 Amb24084432 [0,0,0,1,0,0|2,0,1]=4 404 B11R1.649 CC1CCC(=O)CC(C1)(C)C Amb17593858 [0,0,0,1,0,0|2,0,1]=4 405 B11R1.649 CC1CNC(=O)CC(C)(C)C1 Amb25798305 [0,0,0,1,0,0|2,0,1]=4 406 B11R1.710 CC(=O)CC1=NC(C)(C)CO1 Amb24380874 [0,0,0,1,0,0|1,0,0]=2 407 B11R1.710 CC(=O)\C=C/1\NC(C)(C)CO1 Amb24656123 [0,0,0,1,0,0|1,0,1]=3 408 B11R1.710 CC(=O)\C=C\1/NC(C)(C)CO1 Amb24574646 [0,0,0,1,0,0|1,0,1]=3 409 B11R1.710 C[C@@H](O)CC1=NC(C)(C)CO1 Amb24353100 [0,0,0,1,0,0|1,0,2]=4 410 B11R1.1040 CC(=O)C1C(=C)COC1(C)C Amb25348563 [0,0,0,1,0,0|3,0,0]=4 411 B11R1.1040 CC(=O)C1C(=O)CSC1(C)C Amb24357172 [0,0,0,1,0,0|2,0,0]=3 412 B11R1.1040 CC(C)=C1C(=O)CCC1(C)C Amb24633497 [0,0,0,1,0,0|2,0,1]=4 413 B11R1.1040 CC1(C)CNC(=O)C1C(N)=O Amb24728601 [0,0,0,1,0,0|2,0,0]=3 414 B11R1.1040 CC1(C)COC(=O)C1=C(Br)Br Amb22486227 [0,0,0,1,0,0|2,0,1]=4 415 B11R1.1040 CC1(C)COC(=O)C1=C(F)F Amb24587183 [0,0,0,1,0,0|2,0,1]=4 416 B11R1.1040 CC=1CCC(C)(C)C1C(C)=O Amb24422541 [0,0,0,1,0,0|2,0,1]=4 417 B11R1.1040 CN(C)C1C(=O)OCC1(C)C Amb25088893 [0,0,0,1,0,0|2,0,0]=3 418 B11R1.1263 CC(=C)CC(=O)C1CC1(C)C Amb25342806 [0,0,0,1,0,0|2,0,0]=3 419 B11R1.1263 CC(C)CC(=O)C1CC1(C)C Amb25219835 [0,0,0,1,0,0|2,0,1]=4 420 B11R1.1263 CC(N)CC(=O)C1CC1(C)C Amb24538334 [0,0,0,1,0,0|2,0,1]=4 421 B11R1.1263 CC1(C)CC1C(=O)NC(N)=O Amb25148321 [0,0,0,1,0,0|3,0,0]=4 422 B9R0.7 CC(=C)C(=O)CCC(C)C Amb25741534 [0,0,0,0,1,0|2,0,0]=3 423 B9R0.7 CC(=C)C(=O)COC(C)C Amb24435806 [0,0,0,0,1,0|3,0,0]=4 424 B9R0.7 CC(=C)C(=O)NCC(C)C Amb25843280 [0,0,0,0,1,0|2,0,0]=3 425 B9R0.7 CC(=C)C(=O)NCC(C)O Amb17934075 [0,0,0,0,1,0|3,0,0]=4 426 B9R0.7 CC(=C)C(=O)NCN(C)C Amb25147569 [0,0,0,0,1,0|3,0,0]=4 427 B9R0.7 CC(=C)C(=O)OCC(C)=C Amb17934091 [0,0,0,0,1,0|1,0,2]=4 428 B9R0.7 CC(=C)C(=O)OCC(F)F Amb22008278 [0,0,0,0,1,0|3,0,0]=4 429 B9R0.7 CC(=C)C(=O)OCC(O)O Amb24457845 [0,0,0,0,1,0|3,0,0]=4 430 B9R0.7 CC(=C)C(=O)SCC(C)Cl Amb25108100 [0,0,0,0,1,0|2,1,0]=4 431 B9R0.7 CC(=O)C(=C)COC(C)C Amb24546081 [0,0,0,0,1,0|3,0,0]=4 432 B9R0.7 CC(=O)C(=C)\C=C\C(C)C Amb24691582 [0,0,0,0,1,0|2,0,1]=4 433 B9R0.7 CC(=O)C(=O)NCC(C)=O Amb24376332 [0,0,0,0,1,0|2,0,1]=4 434 B9R0.7 CC(=O)C(=O)\C=C\N(C)C Amb25074490 [0,0,0,0,1,0|2,0,1]=4 435 B9R0.7 CC(=O)CCC(=O)C(C)=O Amb25852390 [0,0,0,0,1,0|2,0,1]=4 436 B9R0.7 CC(=O)COC(=O)C(=C)C Amb17593585 [0,0,0,0,1,0|2,0,1]=4 437 B9R0.7 CC(=O)\C(\Cl)=C/OC(C)C Amb25287576 [0,0,0,0,1,0|3,0,0]=4 438 B9R0.7 CC(C)C#CC(=O)C(O)=O Amb24529280 [0,0,0,0,1,0|2,0,1]=4 439 B9R0.7 CC(C)C(=O)OCC(C)Br Amb25123829 [0,0,0,0,1,0|2,0,1]=4 440 B9R0.7 CC(C)C(=O)OCC(C)N Amb25200084 [0,0,0,0,1,0|2,0,1]=4 441 B9R0.7 CC(C)CCC(=O)C(=O)Cl Amb24722777 [0,0,0,0,1,0|2,0,0]=3 442 B9R0.7 CC(C)CCC(Br)C(C)=O Amb25828882 [0,0,0,0,1,0|2,0,1]=4 443 B9R0.7 CC(C)CCC(C)C(C)=O Amb24392384 [0,0,0,0,1,0|2,0,1]=4 444 B9R0.7 CC(C)CCC(F)C(C)=O Amb24383731 [0,0,0,0,1,0|2,0,1]=4 445 B9R0.7 CC(C)CCC(N)C(C)=O Amb18831542 [0,0,0,0,1,0|2,0,1]=4 446 B9R0.7 CC(C)CCC(O)C(C)=O Amb24502166 [0,0,0,0,1,0|1,0,2]=4 447 B9R0.7 CC(C)CC[C@H](F)C(C)=O Amb25050234 [0,0,0,0,1,0|2,0,1]=4 448 B9R0.7 CC(C)CC[C@H](O)C(C)=O Amb25059211 [0,0,0,0,1,0|1,0,2]=4 449 B9R0.7 CC(C)CNC(=O)C(C)N Amb21958764 [0,0,0,0,1,0|2,0,1]=4 450 B9R0.7 CC(C)CNC(=O)C(C)S Amb24707126 [0,0,0,0,1,0|1,1,1]=4 451 B9R0.7 CC(C)CNC(=O)C(N)=O Amb25041667 [0,0,0,0,1,0|2,0,0]=3 452 B9R0.7 CC(C)CNC(=O)N(C)O Amb25789495 [0,0,0,0,1,0|2,0,1]=4 453 B9R0.7 CC(C)CNC(=O)[C@@H](C)N Amb18014637 [0,0,0,0,1,0|2,0,1]=4 454 B9R0.7 CC(C)CNC(=O)[C@@H](C)O Amb24421186 [0,0,0,0,1,0|1,0,2]=4 455 B9R0.7 CC(C)CNC(C)C(C)=O Amb24480697 [0,0,0,0,1,0|2,0,1]=4 456 B9R0.7 CC(C)COC(=O)C(C)Br Amb18090824 [0,0,0,0,1,0|1,0,1]=3 457 B9R0.7 CC(C)COC(=O)C(C)S Amb25126492 [0,0,0,0,1,0|0,1,1]=3 458 B9R0.7 CC(C)COC(=O)C(Cl)Cl Amb25115048 [0,0,0,0,1,0|2,0,1]=4 459 B9R0.7 CC(C)COC(=O)C(O)=O Amb25064282 [0,0,0,0,1,0|1,0,0]=2 460 B9R0.7 CC(C)COC(=O)N(C)C Amb25859536 [0,0,0,0,1,0|2,0,0]=3 461 B9R0.7 CC(C)COC(=O)[C@@H](C)N Amb24524505 [0,0,0,0,1,0|1,0,1]=3 462 B9R0.7 CC(C)COC(=O)[C@H](C)Br Amb25289179 [0,0,0,0,1,0|1,0,1]=3 463 B9R0.7 CC(C)COC(=O)[C@H](C)N Amb25123447 [0,0,0,0,1,0|1,0,1]=3 464 B9R0.7 CC(C)COC(=O)[C@H](C)O Amb25283020 [0,0,0,0,1,0|0,0,2]=3 465 B9R0.7 CC(C)COC(C)C(N)=O Amb19960054 [0,0,0,0,1,0|2,0,1]=4 466 B9R0.7 CC(C)C\C=C(/F)\C(O)=O Amb18124770 [0,0,0,0,1,0|3,0,0]=4 467 B9R0.7 CC(C)\C=C\C(=O)C(O)=O Amb24711964 [0,0,0,0,1,0|2,0,1]=4 468 B9R0.7 CC(CNC(=O)C(=O)C)C Amb17399879 [0,0,0,0,1,0|1,0,0]=2 469 B9R0.7 CC(CNC(=O)C(Br)C)C Amb17326214 [0,0,0,0,1,0|2,0,1]=4 470 B9R0.7 CC(COC(=O)C(N)C)C Amb17569862 [0,0,0,0,1,0|1,0,1]=3 471 B9R0.7 CC(N)COC(=O)N(C)C Amb25244936 [0,0,0,0,1,0|3,0,0]=4 472 B9R0.7 CC(S)C(=O)OCC(C)O Amb25092032 [0,0,0,0,1,0|1,1,1]=4 473 B9R0.7 C[C@H](O)CNC(=O)C(O)=O Amb25853206 [0,0,0,0,1,0|3,0,0]=4 474 B9R0.7 C\C(=C/CC(C)C)\C(C)=O Amb24478340 [0,0,0,0,1,0|2,0,0]=3 475 B9R0.7 C\C(=C/NC(C)C)\C(C)=O Amb24478365 [0,0,0,0,1,0|3,0,0]=4 476 B9R0.7 C\C(=C\NC(C)C)\C(C)=O Amb24463268 [0,0,0,0,1,0|3,0,0]=4 477 B9R0.7 C\C(=N/CC(C)C)\C(C)=O Amb24424901 [0,0,0,0,1,0|2,0,0]=3 478 B9R0.7 C\C(=N\CC(C)C)\C(O)=O Amb24068330 [0,0,0,0,1,0|3,0,0]=4 479 B9R0.7 C\C(=N\CC(C)O)\C(C)=O Amb25273034 [0,0,0,0,1,0|3,0,0]=4 480 B9R0.53 CC(=C)CC(=O)CC(C)C Amb25827965 [0,0,0,0,1,0|1,0,0]=2 481 B9R0.53 CC(=C)CC(=O)CC(C)N Amb25329079 [0,0,0,0,1,0|2,0,0]=3 482 B9R0.53 CC(=C)CC(=O)NC(C)C Amb25833134 [0,0,0,0,1,0|2,0,0]=3 483 B9R0.53 CC(=CC(C)=O)OC(C)C Amb24656120 [0,0,0,0,1,0|1,0,1]=3 484 B9R0.53 CC(=O)CC(=N)CC(C)C Amb24706662 [0,0,0,0,1,0|1,0,0]=2 485 B9R0.53 CC(=O)CC(=O)C=C(C)O Amb24647936 [0,0,0,0,1,0|1,0,2]=4 486 B9R0.53 CC(=O)CC(=O)CB(F)F Amb25318911 [0,0,0,0,1,0|3,0,0]=4 487 B9R0.53 CC(=O)CC(=O)CC(=O)Cl Amb24662270 [0,0,0,0,1,0|2,0,1]=4 488 B9R0.53 CC(=O)CC(=O)CC(O)=O Amb18644062 [0,0,0,0,1,0|2,0,1]=4 489 B9R0.53 CC(=O)CC(=O)CN(C)C Amb25358908 [0,0,0,0,1,0|1,0,0]=2 490 B9R0.53 CC(=O)CC(=O)NC(=O)C Amb2410281 [0,0,0,0,1,0|2,0,1]=4 491 B9R0.53 CC(=O)CC(=O)OC(C)Cl Amb24509721 [0,0,0,0,1,0|1,0,0]=2 492 B9R0.53 CC(=O)CC(=O)\C=C(\C)/O Amb25146890 [0,0,0,0,1,0|1,0,2]=4 493 B9R0.53 CC(=O)NC(=O)CC(C)C Amb24333719 [0,0,0,0,1,0|1,0,0]=2 494 B9R0.53 CC(=O)NC(=O)NC(C)C Amb25848852 [0,0,0,0,1,0|2,0,0]=3 495 B9R0.53 CC(=O)\C=C(/O)\CC(C)C Amb24524653 [0,0,0,0,1,0|0,0,2]=3 496 B9R0.53 CC(C)=CC(=O)CC(C)C Amb24581834 [0,0,0,0,1,0|1,0,1]=3 497 B9R0.53 CC(C)=CC(=O)CC(C)O Amb24478185 [0,0,0,0,1,0|2,0,1]=4 498 B9R0.53 CC(C)=CC(=O)SC(C)C Amb22231438 [0,0,0,0,1,0|1,1,1]=4 499 B9R0.53 CC(C)CC(=C)CC(O)=O Amb18643897 [0,0,0,0,1,0|2,0,0]=3 500 B9R0.53 CC(C)CC(=O)CC(N)=S Amb25210023 [0,0,0,0,1,0|1,1,0]=3 501 B9R0.53 CC(C)CC(=O)CS(C)=O Amb24676845 [0,0,0,0,1,0|1,0,0]=2 502 B9R0.53 CC(C)CC(=O)NC(N)=O Amb25352091 [0,0,0,0,1,0|2,0,0]=3 503 B9R0.53 CC(C)CC(=O)NC(N)=S Amb25109273 [0,0,0,0,1,0|2,1,0]=4 504 B9R0.53 CC(C)CC(=O)NN(C)C Amb24371767 [0,0,0,0,1,0|3,0,0]=4 505 B9R0.53 CC(C)CC(C)CC(C)=O Amb20621119 [0,0,0,0,1,0|1,0,1]=3 506 B9R0.53 CC(C)CC(C)NC(C)=O Amb25824393 [0,0,0,0,1,0|2,0,1]=4 507 B9R0.53 CC(C)CC(C)OC(C)=O Amb22733405 [0,0,0,0,1,0|2,0,1]=4 508 B9R0.53 CC(C)CC(Cl)CC(=O)Cl Amb25241016 [0,0,0,0,1,0|2,0,1]=4 509 B9R0.53 CC(C)CC(Cl)CC(C)=C Amb24579888 [0,0,0,0,1,0|2,0,1]=4 510 B9R0.53 CC(C)CC(Cl)OC(C)=O Amb24424956 [0,0,0,0,1,0|2,0,1]=4 511 B9R0.53 CC(C)CC(N)CC(N)=O Amb25785407 [0,0,0,0,1,0|2,0,1]=4 512 B9R0.53 CC(C)CC(O)CC(C)=O Amb25054426 [0,0,0,0,1,0|0,0,2]=3 513 B9R0.53 CC(C)CS(=O)CC(C)=O Amb25052491 [0,0,0,0,1,0|1,0,0]=2 514 B9R0.53 CC(C)CS(=O)CC(O)=O Amb18792576 [0,0,0,0,1,0|2,0,0]=3 515 B9R0.53 CC(C)C[C@@H](C)CC(C)=O Amb24480437 [0,0,0,0,1,0|1,0,1]=3 516 B9R0.53 CC(C)C[C@@H](C)CC(O)=O Amb24455134 [0,0,0,0,1,0|2,0,1]=4 517 B9R0.53 CC(C)C[C@@H](O)CC(C)=C Amb25788084 [0,0,0,0,1,0|1,0,2]=4 518 B9R0.53 CC(C)C[C@@H](O)CC(C)=O Amb24480617 [0,0,0,0,1,0|0,0,2]=3 519 B9R0.53 CC(C)C[C@H](C)CC(C)=O Amb25707831 [0,0,0,0,1,0|1,0,1]=3 520 B9R0.53 CC(C)C[C@H](N)CC(O)=O Amb19944305 [0,0,0,0,1,0|2,0,1]=4 521 B9R0.53 CC(C)C[C@H](O)CC(O)=O Amb24505145 [0,0,0,0,1,0|1,0,2]=4 522 B9R0.53 CC(C)NC(=O)CC(C)N Amb18968731 [0,0,0,0,1,0|2,0,1]=4 523 B9R0.53 CC(C)NC(=O)CC(N)=N Amb22913274 [0,0,0,0,1,0|3,0,0]=4 524 B9R0.53 CC(C)NC(=O)CN(C)C Amb19978829 [0,0,0,0,1,0|3,0,0]=4 525 B9R0.53 CC(C)NC(=O)C[C@H](C)O Amb24505294 [0,0,0,0,1,0|1,0,2]=4 526 B9R0.53 CC(C)NC(=O)NC(N)=O Amb24120420 [0,0,0,0,1,0|3,0,0]=4 527 B9R0.53 CC(C)OC(=O)C=C(N)N Amb25146388 [0,0,0,0,1,0|2,0,1]=4 528 B9R0.53 CC(C)OC(=O)CC(C)C Amb22731225 [0,0,0,0,1,0|1,0,1]=3 529 B9R0.53 CC(C)OC(=O)CN(C)O Amb24567770 [0,0,0,0,1,0|1,0,1]=3 530 B9R0.53 CC(C)OC(=O)CS(C)=O Amb18798348 [0,0,0,0,1,0|1,0,0]=2 531 B9R0.53 CC(C)OC(=O)C[C@H](C)O Amb25080104 [0,0,0,0,1,0|0,0,2]=3 532 B9R0.53 CC(C)OC(=O)C[N+]([O-])=O Amb25359813 [0,0,0,0,1,0|2,0,0]=3 533 B9R0.53 CC(C)OC(=O)NC(C)C Amb24479031 [0,0,0,0,1,0|2,0,1]=4 534 B9R0.53 CC(C)OC(=O)NC(N)=O Amb25305223 [0,0,0,0,1,0|2,0,0]=3 535 B9R0.53 CC(C)OC(=O)NC(N)=S Amb25793278 [0,0,0,0,1,0|2,1,0]=4 536 B9R0.53 CC(C)OC(=O)NN(C)C Amb24416455 [0,0,0,0,1,0|3,0,0]=4 537 B9R0.53 CC(C)OC(=O)OC(C)C Amb22230558 [0,0,0,0,1,0|2,0,1]=4 538 B9R0.53 CC(C)OC(=S)CC(C)C Amb25187339 [0,0,0,0,1,0|1,1,1]=4 539 B9R0.53 CC(C)OC(C)NC(C)=O Amb22729317 [0,0,0,0,1,0|2,0,1]=4 540 B9R0.53 CC(C)O[C@H](C)CC(O)=O Amb24463494 [0,0,0,0,1,0|2,0,1]=4 541 B9R0.53 CC(C)SC(=O)CC(C)C Amb22641873 [0,0,0,0,1,0|1,1,1]=4 542 B9R0.53 CC(C)SC(=O)CC(O)=O Amb25743447 [0,0,0,0,1,0|1,1,0]=3 543 B9R0.53 CC(C)SC(C)CC(C)=O Amb25126446 [0,0,0,0,1,0|1,1,1]=4 544 B9R0.53 CC(CC(=O)C[N+](=O)[O-])C Amb10573995 [0,0,0,0,1,0|2,0,0]=3 545 B9R0.53 CC(CC(C)=O)=NN(C)C Amb25252261 [0,0,0,0,1,0|3,0,0]=4 546 B9R0.53 CC(CC(CC(=O)O)N)C Amb2438867 [0,0,0,0,1,0|2,0,1]=4 547 B9R0.53 CC(CC(CC(=O)O)O)C Amb17232005 [0,0,0,0,1,0|1,0,2]=4 548 B9R0.53 CC(CN(C)C)=CC(C)=O Amb25233594 [0,0,0,0,1,0|2,0,1]=4 549 B9R0.53 CC(C[C@@H](CC(=O)O)C)C Amb10844383 [0,0,0,0,1,0|2,0,1]=4 550 B9R0.53 CC(C[C@@H](CC(=O)O)N)C Amb16184017 [0,0,0,0,1,0|2,0,1]=4 551 B9R0.53 CC(NC(=O)CC(=O)O)C Amb17399889 [0,0,0,0,1,0|2,0,0]=3 552 B9R0.53 CC(O)CN(C)CC(C)=O Amb24441836 [0,0,0,0,1,0|3,0,0]=4 553 B9R0.53 CC(OC(=O)CC(=S)N)C Amb1116492 [0,0,0,0,1,0|1,1,0]=3 554 B9R0.53 CC(OC(=O)\C=C(\N)/C)C Amb17616219 [0,0,0,0,1,0|1,0,1]=3 555 B9R0.53 CN(C)CC(=O)CN(C)C Amb24717795 [0,0,0,0,1,0|3,0,0]=4 556 B9R0.53 CN(C)CC(=O)NC(N)=O Amb25684200 [0,0,0,0,1,0|3,0,0]=4 557 B9R0.53 CN(C)NC(=O)CC(O)=O Amb20246800 [0,0,0,0,1,0|3,0,0]=4 558 B9R0.53 C\C(=C/C(C)=O)\NC(C)C Amb25027940 [0,0,0,0,1,0|2,0,1]=4 559 B9R0.53 C\C(=C/C(C)=O)\OB(C)C Amb24752874 [0,0,0,0,1,0|2,0,1]=4 560 B9R0.53 C\C(=C/C(C)=O)\OC(C)C Amb25717696 [0,0,0,0,1,0|1,0,1]=3 561 B9R0.53 C\C(=C\C(C)=O)\OC(C)C Amb25849385 [0,0,0,0,1,0|1,0,1]=3 562 B9R0.53 C\C(=C\C(C)C)\OC(C)=O Amb24667150 [0,0,0,0,1,0|2,0,1]=4 563 B9R0.53 C\C(\CC(C)=O)=C\C(C)C Amb24614276 [0,0,0,0,1,0|1,0,1]=3 564 B9R0.53 C\C(\CC(C)=O)=N/C(C)C Amb25833982 [0,0,0,0,1,0|2,0,0]=3 565 B9R0.53 C\C(\CC(C)=O)=N/C(C)O Amb25730154 [0,0,0,0,1,0|3,0,0]=4 566 B9R0.53 C\C(\Cl)=C\C(=O)NC(C)C Amb25063189 [0,0,0,0,1,0|2,0,1]=4 567 B9R0.53 C\C(\N)=C\C(=O)CC(C)O Amb25685573 [0,0,0,0,1,0|2,0,1]=4 568 B9R0.53 C\C(\N)=C\C(=O)NC(C)C Amb24664878 [0,0,0,0,1,0|2,0,1]=4 569 B9R0.53 C\C(\O)=C/C(=O)CC(C)C Amb25146560 [0,0,0,0,1,0|0,0,2]=3 570 B9R0.53 C\C(\O)=C\C(=O)CC(C)C Amb25146659 [0,0,0,0,1,0|0,0,2]=3 571 B9R0.53 C\C(\S)=C\C(=O)CC(C)C Amb24588773 [0,0,0,0,1,0|0,1,1]=3 572 B9R0.53 [13CH3]C([13CH3])CC(=O)CC([13CH3])[13CH3] Amb22055143 [0,0,0,0,1,0|1,0,1]=3 573 B11R0.6 CC(=O)CC(=O)OCCC(C)C Amb19930188 [0,0,0,0,0,1|0,0,0]=1 574 B11R0.6 CC(C)=CCOC(=O)NC(N)=O Amb25150931 [0,0,0,0,0,1|2,0,1]=4 575 B11R0.6 CC(C)CCNC(=O)CC(N)=N Amb22913388 [0,0,0,0,0,1|3,0,0]=4 576 B11R0.85 CC(=O)CNC(=O)COC(C)=O Amb22284638 [0,0,0,0,0,1|2,0,1]=4 577 B11R0.85 CC(=O)NNC(=O)\C=C\C(C)C Amb25221293 [0,0,0,0,0,1|2,0,1]=4 578 B11R0.85 CC(=O)OCC(=O)NCC(C)O Amb22284645 [0,0,0,0,0,1|2,0,0]=3 579 B11R0.85 CC(C)CCC(=O)CCN(C)C Amb22497320 [0,0,0,0,0,1|3,0,0]=4 580 B11R0.85 CC(C)CNC(=O)NCC(Br)=C Amb17924553 [0,0,0,0,0,1|2,0,1]=4 581 B11R0.85 CC(C)COP(=O)OCC(C)C Amb22729369 [0,0,0,0,0,1|2,0,1]=4 582 B11R0.85 CC(CNC(=O)CCC(=O)N)C Amb17142928 [0,0,0,0,0,1|2,0,0]=3 583 B11R0.85 CC(CNC(=O)NCC(=O)O)C Amb1130135 [0,0,0,0,0,1|2,0,0]=3 584 B11R0.85 CC(CNC(=O)\C=C/C(=O)O)C Amb1235089 [0,0,0,0,0,1|2,0,1]=4 585 B11R0.85 C\C(\NCC(C)C)=N\NC(C)=O Amb24648734 [0,0,0,0,0,1|3,0,0]=4 586 B11R0.85 O=C(OCC(=C)C)OCC(=C)C Amb10807475 [0,0,0,0,0,1|1,0,2]=4 587 B8R0.1 CC#CC(=O)OCCC Amb25250647 [2,0,0,0,0,0|0,0,2]=4 588 B8R0.1 CC=CC(=O)NCCC Amb22364983 [2,0,0,0,0,0|1,0,1]=4 589 B8R0.1 CCCC(=O)OCCBr Amb25087679 [2,0,0,0,0,0|1,0,1]=4 590 B8R0.1 CCCCC(=O)CC=C Amb10567269 [2,0,0,0,0,0|1,0,1]=4 591 B8R0.1 CCCCC(=O)CNC Amb25824276 [2,0,0,0,0,0|2,0,0]=4 592 B8R0.1 CCCCC(=O)COC Amb19374627 [2,0,0,0,0,0|2,0,0]=4 593 B8R0.1 CCCNC(=O)CNC Amb2370799 [2,0,0,0,0,0|2,0,0]=4 594 B8R0.1 CCCNC(=O)COC Amb22269187 [2,0,0,0,0,0|2,0,0]=4 595 B8R0.1 CCCNC(=O)CSC Amb25145561 [2,0,0,0,0,0|2,0,0]=4 596 B8R0.1 CCCOC(=O)CC#C Amb25132621 [2,0,0,0,0,0|0,0,2]=4 597 B8R0.1 CCCOC(=O)CC#N Amb16232992 [2,0,0,0,0,0|1,0,1]=4 598 B8R0.1 CCCOC(=O)CC=O Amb24683609 [2,0,0,0,0,0|0,0,0]=2 599 B8R0.1 CCCOC(=O)CCBr Amb25361170 [2,0,0,0,0,0|1,0,1]=4 600 B8R0.1 CCCOC(=O)CCN Amb19409653 [2,0,0,0,0,0|1,0,1]=4 601 B8R0.1 CCCOC(=O)CCO Amb22504631 [2,0,0,0,0,0|0,0,2]=4 602 B8R0.1 CCCOC(=O)CCS Amb22053845 [2,0,0,0,0,0|0,1,1]=4 603 B8R0.1 CCCOC(=O)CNN Amb24678012 [2,0,0,0,0,0|2,0,0]=4 604 B8R0.1 CCCOC(=O)CSC Amb24471191 [2,0,0,0,0,0|1,0,0]=3 605 B8R0.1 CCCOC(=O)N=C=O Amb25766484 [2,0,0,0,0,0|1,0,1]=4 606 B8R0.1 CCCOC(C)CC=O Amb18642800 [2,0,0,0,0,0|1,0,1]=4 607 B8R0.1 CCC\C=C(/C)\CC=O Amb25031857 [2,0,0,0,0,0|2,0,0]=4 608 B8R0.1 CCC\C=C(\C)/CC=O Amb24550527 [2,0,0,0,0,0|2,0,0]=4 609 B8R0.1 COCC(=O)OCCC Amb20622000 [2,0,0,0,0,0|1,0,0]=3 610 B8R0.1 COCC(=O)OCCF Amb25204548 [2,0,0,0,0,0|2,0,0]=4 611 B8R0.1 COCOC(=O)CCC Amb24333372 [2,0,0,0,0,0|1,0,1]=4 612 B8R0.1 COCOC(=O)COC Amb24672158 [2,0,0,0,0,0|2,0,0]=4 613 B8R0.1 CSCC(=O)OCCF Amb25260578 [2,0,0,0,0,0|2,0,0]=4 614 B8R0.1 C\C=C\C(=O)CCCC Amb22043314 [2,0,0,0,0,0|1,0,1]=4 615 B8R0.1 C\C=C\C(=O)OCCC Amb22231396 [2,0,0,0,0,0|0,0,1]=3 616 B8R0.1 C\C=C\C(=O)OCCF Amb24354742 [2,0,0,0,0,0|1,0,1]=4 617 B8R0.1 C\C=C\C(=O)OCCN Amb24476692 [2,0,0,0,0,0|1,0,1]=4 618 B8R0.1 C\C=C\C(=O)OCCO Amb25332335 [2,0,0,0,0,0|1,0,1]=4 619 B8R0.5 CC(=C)CC(=O)CCC Amb24377405 [2,0,0,0,0,0|1,0,0]=3 620 B8R0.5 CC(=C)CC(=O)CCN Amb24496397 [2,0,0,0,0,0|2,0,0]=4 621 B8R0.5 CC(=C)CC(=O)COC Amb25142356 [2,0,0,0,0,0|2,0,0]=4 622 B8R0.5 CC(=C)NC(=O)OCC Amb25324994 [2,0,0,0,0,0|2,0,0]=4 623 B8R0.5 CC(=O)C=C(N)CCC Amb25145980 [2,0,0,0,0,0|1,0,1]=4 624 B8R0.5 CC(=O)C=C(N)OCC Amb24561013 [2,0,0,0,0,0|1,0,1]=4 625 B8R0.5 CC(=O)CC(=N)OCC Amb24103656 [2,0,0,0,0,0|1,0,0]=3 626 B8R0.5 CC(=O)CC(=O)CC#N Amb24456593 [2,0,0,0,0,0|1,0,1]=4 627 B8R0.5 CC(=O)CC(=O)CCC Amb22347230 [2,0,0,0,0,0|0,0,0]=2 628 B8R0.5 CC(=O)CC(=O)CCO Amb25685471 [2,0,0,0,0,0|1,0,0]=3 629 B8R0.5 CC(=O)CC(=O)NOC Amb24096697 [2,0,0,0,0,0|2,0,0]=4 630 B8R0.5 CC(=O)CC(=O)OCC Amb22360190 [2,0,0,0,0,0|0,0,0]=2 631 B8R0.5 CC(=O)CC(=O)OOC Amb24096083 [2,0,0,0,0,0|1,0,0]=3 632 B8R0.5 CC(=O)CC(=O)\C=C\C Amb25807638 [2,0,0,0,0,0|0,0,2]=4 633 B8R0.5 CC(=O)CC(=S)OCC Amb25282821 [2,0,0,0,0,0|0,1,0]=3 634 B8R0.5 CC(=O)C\C(\Cl)=C/CC Amb24334261 [2,0,0,0,0,0|1,0,1]=4 635 B8R0.5 CC(=O)C\C(\Cl)=C\CC Amb25370634 [2,0,0,0,0,0|1,0,1]=4 636 B8R0.5 CC(=O)NC(=O)CCBr Amb25188997 [2,0,0,0,0,0|2,0,0]=4 637 B8R0.5 CC(=O)NC(=O)CCC Amb25324995 [2,0,0,0,0,0|1,0,0]=3 638 B8R0.5 CC(=O)NC(=O)CNC Amb24593410 [2,0,0,0,0,0|2,0,0]=4 639 B8R0.5 CC(=O)NC(=S)OCC Amb24356625 [2,0,0,0,0,0|1,1,0]=4 640 B8R0.5 CC(=O)\C=C(/N)\OCC Amb24451604 [2,0,0,0,0,0|1,0,1]=4 641 B8R0.5 CC(=O)\C=C(\Cl)/CCC Amb24339441 [2,0,0,0,0,0|1,0,1]=4 642 B8R0.5 CC(=S)NC(=O)CCC Amb25783781 [2,0,0,0,0,0|1,1,0]=4 643 B8R0.5 CCCC(=C)CC(O)=O Amb18642622 [2,0,0,0,0,0|2,0,0]=4 644 B8R0.5 CCCC(=O)CC(C)Br Amb25232584 [2,0,0,0,0,0|1,0,1]=4 645 B8R0.5 CCCC(=O)CC(C)O Amb24676902 [2,0,0,0,0,0|0,0,2]=4 646 B8R0.5 CCCC(=O)C[C@@H](C)O Amb24645371 [2,0,0,0,0,0|0,0,2]=4 647 B8R0.5 CCCC(=O)C[C@H](C)O Amb25767694 [2,0,0,0,0,0|0,0,2]=4 648 B8R0.5 CCCC(C)CC(C)=O Amb22229841 [2,0,0,0,0,0|1,0,1]=4 649 B8R0.5 CCCC(CC(=O)C)O Amb17593376 [2,0,0,0,0,0|0,0,2]=4 650 B8R0.5 CCCS(=O)CC(=O)O Amb10608037 [2,0,0,0,0,0|2,0,0]=4 651 B8R0.5 CCC[C@@H](O)CC(C)=O Amb25190233 [2,0,0,0,0,0|0,0,2]=4 652 B8R0.5 CCC\C(\C)=C/C(C)=O Amb24676836 [2,0,0,0,0,0|1,0,1]=4 653 B8R0.5 CCC\C(\C)=C\C(C)=O Amb25735089 [2,0,0,0,0,0|1,0,1]=4 654 B8R0.5 CCNC(=O)CC(=O)O Amb17399821 [2,0,0,0,0,0|2,0,0]=4 655 B8R0.5 CCOC(=O)CC(=N)Cl Amb25847101 [2,0,0,0,0,0|2,0,0]=4 656 B8R0.5 CCOC(=O)CC(=S)N Amb1154429 [2,0,0,0,0,0|1,1,0]=4 657 B8R0.5 CCOC(=O)CC(C)=C Amb17940814 [2,0,0,0,0,0|1,0,0]=3 658 B8R0.5 CCOC(=O)CC(C)Br Amb17940889 [2,0,0,0,0,0|1,0,1]=4 659 B8R0.5 CCOC(=O)CC(C)S Amb19515282 [2,0,0,0,0,0|0,1,1]=4 660 B8R0.5 CCOC(=O)CC(O)=O Amb22360654 [2,0,0,0,0,0|1,0,0]=3 661 B8R0.5 CCOC(=O)CC([13CH3])=O Amb22366911 [2,0,0,0,0,0|0,0,0]=2 662 B8R0.5 CCOC(=O)CN(=O)=O Amb17781240 [2,0,0,0,0,0|2,0,0]=4 663 B8R0.5 CCOC(=O)CS(C)=O Amb18177141 [2,0,0,0,0,0|1,0,0]=3 664 B8R0.5 CCOC(=O)CS(C)C Amb22351352 [2,0,0,0,0,0|2,0,0]=4 665 B8R0.5 CCOC(=O)C[13C](C)=O Amb22336363 [2,0,0,0,0,0|0,0,0]=2 666 B8R0.5 CCOC(=O)C[13C]([13CH3])=O Amb22351420 [2,0,0,0,0,0|0,0,0]=2 667 B8R0.5 CCOC(=O)C[C@H](C)Cl Amb24479960 [2,0,0,0,0,0|1,0,1]=4 668 B8R0.5 CCOC(=O)NC(N)=O Amb19884044 [2,0,0,0,0,0|2,0,0]=4 669 B8R0.5 CCOC(=O)OC(N)=O Amb25809405 [2,0,0,0,0,0|2,0,0]=4 670 B8R0.5 CCOC(=O)[13CH2]C([13CH3])=O Amb22362626 [2,0,0,0,0,0|0,0,0]=2 671 B8R0.5 CCOC(C)CC(C)=O Amb25291783 [2,0,0,0,0,0|1,0,1]=4 672 B8R0.5 CCO[13C](=O)[13CH2]C(C)=O Amb22353575 [2,0,0,0,0,0|0,0,0]=2 673 B8R0.5 CCO[13C](=O)[13CH2][13C](=O)O Amb17618079 [2,0,0,0,0,0|1,0,0]=3 674 B8R0.5 CCO[13C](=O)[13CH2][13C]([13CH3])=O Amb22351473 [2,0,0,0,0,0|0,0,0]=2 675 B8R0.5 CCO[C@@H](O)CC(C)=O Amb25051240 [2,0,0,0,0,0|0,0,2]=4 676 B8R0.5 CC\C=C(/C)\CC(C)=O Amb24751417 [2,0,0,0,0,0|1,0,1]=4 677 B8R0.5 CC\C=C(\C)/CC(C)=O Amb25314826 [2,0,0,0,0,0|1,0,1]=4 678 B8R0.5 CC\N=C(\C)/CC(C)=O Amb25838829 [2,0,0,0,0,0|2,0,0]=4 679 B8R0.5 COCC(=O)CC(=O)C Amb15701314 [2,0,0,0,0,0|1,0,0]=3 680 B8R0.5 COCC(=O)CC(O)=O Amb24093174 [2,0,0,0,0,0|2,0,0]=4 681 B8R0.5 COCC(=O)CS(C)=O Amb25736407 [2,0,0,0,0,0|2,0,0]=4 682 B8R0.5 C[13C](=O)C[13C](=O)OCC Amb22336726 [2,0,0,0,0,0|0,0,0]=2 683 B8R0.5 C\C(=C/C(C)=O)\OCC Amb25373030 [2,0,0,0,0,0|1,0,1]=4 684 B8R0.5 C\C(=C\C(C)=O)\OCC Amb25147210 [2,0,0,0,0,0|1,0,1]=4 685 B8R0.5 C\C(\Cl)=C\C(=O)CCC Amb25179508 [2,0,0,0,0,0|1,0,1]=4 686 B8R0.5 C\C(\I)=C/C(=O)OCC Amb22503728 [2,0,0,0,0,0|1,0,1]=4 687 B8R0.5 C\C(\I)=C\C(=O)OCC Amb25790655 [2,0,0,0,0,0|1,0,1]=4 688 B8R0.5 C\C(\N)=C\C(=O)CCC Amb25059647 [2,0,0,0,0,0|1,0,1]=4 689 B8R0.5 C\C(\[O-])=C\C(=O)OCC Amb22053734 [2,0,0,0,0,0|0,0,2]=4 690 B8R0.5 C\C(\[O-])=C\C(=O)OCC Amb22456709 [2,0,0,0,0,0|0,0,2]=4 691 B8R0.5 C\C(\[O-])=C\C(=O)OCC Amb22733216 [2,0,0,0,0,0|0,0,2]=4 692 B8R0.5 [O-]C(=O)CC(=O)OCC Amb2221978 [2,0,0,0,0,0|1,0,0]=3 693 B8R0.7 CC(=O)CCOCCN Amb18628609 [2,0,0,0,0,0|1,0,1]=4 694 B8R0.7 CC(=O)CCOCCO Amb24691100 [2,0,0,0,0,0|1,0,1]=4 695 B8R0.7 CC(=O)C\C=C\CCBr Amb24357455 [2,0,0,0,0,0|2,0,0]=4 696 B8R0.7 CC(=O)C\C=C\CCCl Amb25729220 [2,0,0,0,0,0|2,0,0]=4 697 B8R0.7 CC(=O)\C=C\OCCO Amb25318892 [2,0,0,0,0,0|1,0,1]=4 698 B8R0.7 CC(C)CCCCC=O Amb18642674 [2,0,0,0,0,0|1,0,1]=4 699 B8R0.7 CC(C)CC\C=C\C=O Amb18642445 [2,0,0,0,0,0|1,0,1]=4 700 B8R0.7 CC(C)CNOCC=O Amb25839254 [2,0,0,0,0,0|2,0,0]=4 701 B8R0.7 CC(C)CO\C=C\C=O Amb18642618 [2,0,0,0,0,0|0,0,1]=3 702 B8R0.7 CC(O)COCCC=O Amb18642881 [2,0,0,0,0,0|1,0,1]=4 703 B8R0.7 CCCC\C=C\C(C)=O Amb22043236 [2,0,0,0,0,0|1,0,1]=4 704 B8R0.7 CCCNCCC(C)=O Amb24700442 [2,0,0,0,0,0|1,0,1]=4 705 B8R0.7 CCCN\C=C/C(C)=O Amb25749455 [2,0,0,0,0,0|1,0,1]=4 706 B8R0.7 CCCN\C=C\C(C)=O Amb25254846 [2,0,0,0,0,0|1,0,1]=4 707 B8R0.7 CCCONCC(C)=C Amb25708080 [2,0,0,0,0,0|2,0,0]=4 708 B8R0.7 CCCONCC(N)=O Amb24678243 [2,0,0,0,0,0|2,0,0]=4 709 B8R0.7 CCCO\C=C\C(C)=O Amb24647800 [2,0,0,0,0,0|0,0,1]=3 710 B8R0.7 CCCO\C=C\C(O)=O Amb18642782 [2,0,0,0,0,0|1,0,1]=4 711 B8R0.7 CCC\C=C\CC(C)=O Amb24736384 [2,0,0,0,0,0|1,0,0]=3 712 B8R0.7 CCC\C=C\CC(N)=O Amb25328428 [2,0,0,0,0,0|2,0,0]=4 713 B8R0.7 CCC\C=C\CC(O)=O Amb18642602 [2,0,0,0,0,0|2,0,0]=4 714 B8R0.7 CCC\C=C\NC(C)=O Amb25785327 [2,0,0,0,0,0|2,0,0]=4 715 B8R0.7 COCOCCC(C)=O Amb25809981 [2,0,0,0,0,0|1,0,1]=4 716 B8R0.7 COC\C=C\CC(C)=O Amb24621937 [2,0,0,0,0,0|2,0,0]=4 717 B8R0.9 BrCC(=O)NCC(C)C Amb10608023 [2,0,0,0,0,0|2,0,0]=4 718 B8R0.9 CC(=C)COC(=O)CC Amb25345772 [2,0,0,0,0,0|0,0,2]=4 719 B8R0.9 CC(=O)COC(=O)C=O Amb18642738 [2,0,0,0,0,0|1,0,1]=4 720 B8R0.9 CC(Br)COC(=O)CCl Amb25301888 [2,0,0,0,0,0|2,0,0]=4 721 B8R0.9 CC(Br)COC(=O)CS Amb24680305 [2,0,0,0,0,0|1,1,0]=4 722 B8R0.9 CC(C)CCC(=O)C=C Amb25341966 [2,0,0,0,0,0|1,0,1]=4 723 B8R0.9 CC(C)CCC(=O)CBr Amb24374602 [2,0,0,0,0,0|2,0,0]=4 724 B8R0.9 CC(C)CCC(=O)CCl Amb20668816 [2,0,0,0,0,0|2,0,0]=4 725 B8R0.9 CC(C)CCC(=O)CO Amb25053147 [2,0,0,0,0,0|1,0,1]=4 726 B8R0.9 CC(C)CNC(=O)CI Amb23447333 [2,0,0,0,0,0|2,0,0]=4 727 B8R0.9 CC(C)COC(=C)CCl Amb24394716 [2,0,0,0,0,0|2,0,0]=4 728 B8R0.9 CC(C)COC(=O)CBr Amb22036611 [2,0,0,0,0,0|1,0,0]=3 729 B8R0.9 CC(C)COC(=O)CN Amb19011993 [2,0,0,0,0,0|1,0,0]=3 730 B8R0.9 CC(C)COC(=O)NN Amb25145008 [2,0,0,0,0,0|2,0,0]=4 731 B8R0.9 CC(C)COC(=O)NO Amb24481916 [2,0,0,0,0,0|1,0,1]=4 732 B8R0.9 CC(C)C\C=C(/C)\C=O Amb25055531 [2,0,0,0,0,0|2,0,0]=4 733 B8R0.9 CC(C)C\C=C(/F)\C=O Amb24631174 [2,0,0,0,0,0|2,0,0]=4 734 B8R0.9 CC(C)C\C=C(\C)/C=O Amb24573481 [2,0,0,0,0,0|2,0,0]=4 735 B8R0.9 CC(Cl)COC(=O)CCl Amb24710935 [2,0,0,0,0,0|2,0,0]=4 736 B8R0.9 CC(Cl)COC(=O)CS Amb25061264 [2,0,0,0,0,0|1,1,0]=4 737 B8R0.9 CC(O)COC(=O)CBr Amb25253067 [2,0,0,0,0,0|2,0,0]=4 738 B8R0.9 CCC(=N)NCC(C)C Amb25749440 [2,0,0,0,0,0|2,0,0]=4 739 B8R0.9 CCC(=O)C#CC(C)C Amb25320012 [2,0,0,0,0,0|1,0,1]=4 740 B8R0.9 CCC(=O)CCC(C)Cl Amb24571703 [2,0,0,0,0,0|2,0,0]=4 741 B8R0.9 CCC(=O)CCN(C)C Amb24444934 [2,0,0,0,0,0|2,0,0]=4 742 B8R0.9 CCC(=O)NCC(C)C Amb17798304 [2,0,0,0,0,0|1,0,0]=3 743 B8R0.9 CCC(=O)NCC(C)N Amb18631378 [2,0,0,0,0,0|2,0,0]=4 744 B8R0.9 CCC(=O)NC[C@@H](C)O Amb25297640 [2,0,0,0,0,0|2,0,0]=4 745 B8R0.9 CCC(=O)NOC(C)C Amb24614549 [2,0,0,0,0,0|2,0,0]=4 746 B8R0.9 CCC(=O)OCC(C)Cl Amb24729543 [2,0,0,0,0,0|1,0,0]=3 747 B8R0.9 CCC(=O)SCC(C)Br Amb24398920 [2,0,0,0,0,0|1,1,0]=4 748 B8R0.9 CCC(=O)\C=C\C(C)C Amb24627284 [2,0,0,0,0,0|1,0,1]=4 749 B8R0.9 CCC(=O)\C=N\C(C)C Amb24339763 [2,0,0,0,0,0|2,0,0]=4 750 B8R0.9 CCC(=S)NCC(C)C Amb25840022 [2,0,0,0,0,0|1,1,0]=4 751 B8R0.9 CCS(=O)CCC(C)C Amb24448788 [2,0,0,0,0,0|2,0,0]=4 752 B8R0.9 CCS(=O)NCC(C)C Amb24597114 [2,0,0,0,0,0|2,0,0]=4 753 B8R0.9 CNC(=O)NCC(C)C Amb2132759 [2,0,0,0,0,0|2,0,0]=4 754 B8R0.9 CNC(=O)SCC(C)C Amb24454948 [2,0,0,0,0,0|1,1,0]=4 755 B8R0.9 COC(=O)NCC(C)C Amb17861777 [2,0,0,0,0,0|2,0,0]=4 756 B8R0.9 COC(=O)OCC(C)C Amb24416487 [2,0,0,0,0,0|1,0,0]=3 757 B8R0.9 CSC(=O)CCC(C)C Amb25743840 [2,0,0,0,0,0|2,0,0]=4 758 B8R0.9 CSC(=O)NCC(C)C Amb24476657 [2,0,0,0,0,0|2,0,0]=4 759 B8R0.9 C[C@@H](N)COC(=O)CN Amb25848264 [2,0,0,0,0,0|2,0,0]=4 760 B8R0.9 C[C@H](O)COC(=O)C=C Amb25284367 [2,0,0,0,0,0|1,0,1]=4 761 B8R0.9 ClCC(=O)NCC(C)C Amb1160207 [2,0,0,0,0,0|2,0,0]=4 762 B8R0.9 NCC(=O)NCC(C)C Amb13951745 [2,0,0,0,0,0|2,0,0]=4 763 B10R0.6 CC(=O)CC(=O)NCCC#N Amb18787497 [1,1,0,0,0,0|1,0,1]=4 764 B10R0.6 CC(=O)CC(=O)NOCC#C Amb24765364 [1,1,0,0,0,0|0,0,2]=4 765 B10R0.6 CC(=O)CC(=O)OCCC#N Amb18125823 [1,1,0,0,0,0|0,0,1]=3 766 B10R0.6 CC(=O)NC(=O)CCCCBr Amb25383772 [1,1,0,0,0,0|2,0,0]=4 767 B10R0.6 CC(=O)NC(=O)CCCCC Amb25383542 [1,1,0,0,0,0|2,0,0]=4 768 B10R0.6 CC(=O)NC(=O)\C=C\CCC Amb24574686 [1,1,0,0,0,0|2,0,0]=4 769 B10R0.6 CC(=O)NC(=S)OCCCC Amb25384459 [1,1,0,0,0,0|1,1,0]=4 770 B10R0.6 CCCCCC(=O)CC(=O)C Amb10807435 [1,1,0,0,0,0|1,0,0]=3 771 B10R0.6 CCCCOC(=O)CC(=O)C Amb2412117 [1,1,0,0,0,0|0,0,0]=2 772 B10R0.6 CCCCOC(=O)CC(C)C Amb22002354 [1,1,0,0,0,0|1,0,1]=4 773 B10R0.6 COCCOC(=O)NC(N)=O Amb17940285 [1,1,0,0,0,0|2,0,0]=4 774 B10R0.6 NC(=O)NC(=O)OCCCCl Amb13952172 [1,1,0,0,0,0|2,0,0]=4 775 B10R0.18 CCC(=O)NC(=O)OCCCl Amb25386348 [1,1,0,0,0,0|2,0,0]=4 776 B10R0.18 CCC(=O)NC(=O)SCCC Amb25384555 [1,1,0,0,0,0|1,1,0]=4 777 B10R0.18 CCCCC(=O)CC(=O)OC Amb15692765 [1,1,0,0,0,0|1,0,0]=3 778 B10R0.18 CCCCC(=O)NC(=O)CCl Amb25384872 [1,1,0,0,0,0|2,0,0]=4 779 B10R0.18 CCCNC(=O)NC(=O)CBr Amb24509542 [1,1,0,0,0,0|2,0,0]=4 780 B10R0.18 CCCOC(=O)NC(=O)CF Amb25384735 [1,1,0,0,0,0|1,0,0]=3 781 B10R0.18 COC(=N)NC(=O)OCCC Amb25384667 [1,1,0,0,0,0|2,0,0]=4 782 B10R0.18 COC(=O)CC(=O)COCC Amb22495523 [1,1,0,0,0,0|2,0,0]=4 783 B10R0.18 COCCC(=O)CC(=O)OC Amb17739713 [1,1,0,0,0,0|2,0,0]=4 784 B10R0.28 CCCOC(=O)C[N+](C)(C)C Amb16205281 [1,1,0,0,0,0|2,0,0]=4 785 B10R0.44 CC(=O)CC(=O)NC(=O)CC Amb25309618 [1,1,0,0,0,0|1,0,1]=4 786 B10R0.44 CC(=O)CC(=O)NC(C)CO Amb18787834 [1,1,0,0,0,0|2,0,0]=4 787 B10R0.44 CC(=O)CC(=O)N[C@@H](C)CC Amb25385720 [1,1,0,0,0,0|1,0,0]=3 788 B10R0.44 CC(=O)CC(=O)N[C@@H](C)CO Amb25385975 [1,1,0,0,0,0|2,0,0]=4 789 B10R0.44 CC(=O)CC(=O)N[C@H](C)CC Amb25385719 [1,1,0,0,0,0|1,0,0]=3 790 B10R0.44 CC(=O)CC(=O)N[C@H](C)CO Amb24766671 [1,1,0,0,0,0|2,0,0]=4 791 B10R0.44 CC(=O)CC(=O)OC(C)C#C Amb24765350 [1,1,0,0,0,0|0,0,2]=4 792 B10R0.44 CC(=O)CC(=O)O\C(\C)=C\C Amb24765372 [1,1,0,0,0,0|0,0,2]=4 793 B10R0.44 CC(NC(=O)CC(=O)O)CC Amb17400042 [1,1,0,0,0,0|2,0,0]=4 794 B10R0.44 CCC(OC(=O)C=C(C)C)C Amb16192098 [1,1,0,0,0,0|1,0,1]=4 795 B10R0.44 CCC(OC(=O)CC(=O)C)C Amb17593953 [1,1,0,0,0,0|0,0,0]=2 796 B10R0.81 CC(C)=C(C)C(=O)OCCC Amb24755887 [1,1,0,0,0,0|1,0,1]=4 797 B10R0.81 CC(C)=C(F)C(=O)OCCC Amb24755888 [1,1,0,0,0,0|1,0,1]=4 798 B10R0.81 CCCNC(=O)C(C)C(O)=O Amb25385238 [1,1,0,0,0,0|2,0,0]=4 799 B10R0.81 CCCNC(=O)C(N)C(N)=O Amb24764745 [1,1,0,0,0,0|2,0,0]=4 800 B10R0.26 CC(C)C(C)NC(=O)CCC Amb25379493 [1,1,0,0,0,0|1,0,1]=4 801 B10R0.26 CC(C)C(C)NC(=O)COC Amb23329653 [1,1,0,0,0,0|2,0,0]=4 802 B10R0.26 CC(C)C(C)NC(=O)\C=C\C Amb25822494 [1,1,0,0,0,0|1,0,1]=4 803 B10R0.57 CC(C)CNC(=O)[C@@H](N)CC Amb25380501 [1,1,0,0,0,0|1,0,1]=4 804 B10R0.57 CC(C)CNC(=O)[C@H](C)NC Amb25382210 [1,1,0,0,0,0|2,0,0]=4 805 B10R0.57 CC(C)COC(=O)C(C)CC Amb24074112 [1,1,0,0,0,0|0,0,1]=3 806 B10R0.57 C\C(=C/C)\C(=O)OCC(C)C Amb24764651 [1,1,0,0,0,0|0,0,1]=3 807 B10R0.57 C\C(=C\C)\C(=O)OCC(C)C Amb22351313 [1,1,0,0,0,0|0,0,1]=3 808 B10R0.78 C=CCNC(=O)NCC(C)C Amb16948217 [1,1,0,0,0,0|1,0,1]=4 809 B10R0.78 CC#CCC(=O)CCC(C)C Amb18796683 [1,1,0,0,0,0|1,0,1]=4 810 B10R0.78 CC(C)CNC(=O)CNC=O Amb25385284 [1,1,0,0,0,0|1,0,0]=3 811 B10R0.78 CC(C)COC(=N)NNC=O Amb25383855 [1,1,0,0,0,0|2,0,0]=4 812 B10R0.78 CC(C)COC(=O)CCCCl Amb19960306 [1,1,0,0,0,0|0,0,1]=3 813 B10R0.78 CC(C)COC(=O)NCC#C Amb18799575 [1,1,0,0,0,0|0,0,2]=4 814 B10R0.78 CC(C)COC(=O)NCC#N Amb18179641 [1,1,0,0,0,0|1,0,1]=4 815 B10R0.78 CCCCC(=O)CCC(C)C Amb18182144 [1,1,0,0,0,0|1,0,1]=4 816 B10R0.78 CCCCC(=O)OCC(C)C Amb22230766 [1,1,0,0,0,0|0,0,1]=3 817 B10R0.78 CNCCC(=O)NCC(C)C Amb18797387 [1,1,0,0,0,0|1,0,1]=4 818 B10R0.108 CCC(C)COC(=O)NC=C Amb25384759 [1,1,0,0,0,0|1,0,1]=4 819 B10R0.108 CNC(C)CNC(=O)\C=C\C Amb24755126 [1,1,0,0,0,0|1,0,1]=4 820 B10R0.108 CNCC(=O)NCC(C)CC Amb18797406 [1,1,0,0,0,0|2,0,0]=4 821 B10R0.108 C\C=C\C(=O)NCC(C)CC Amb25382019 [1,1,0,0,0,0|1,0,1]=4 822 B10R0.108 C\C=C\C(=O)NCC(C)CO Amb24754653 [1,1,0,0,0,0|1,0,1]=4 823 B10R0.109 CCCC(=O)NCC(C)(C)C Amb23247457 [1,1,0,0,0,0|1,0,1]=4 824 B10R0.109 CNCC(=O)NCC(C)(C)C Amb18305509 [1,1,0,0,0,0|2,0,0]=4 825 B10R0.109 CNCC(=O)NCC(C)(C)N Amb25382607 [1,1,0,0,0,0|2,0,0]=4 826 B10R0.109 C\C=C\C(=O)CCC(C)(C)C Amb25382326 [1,1,0,0,0,0|1,0,1]=4 827 B10R0.109 C\C=C\C(=O)OC[Si](C)(C)C Amb25372056 [1,1,0,0,0,0|0,1,1]=4 828 B10R0.15 CC(=O)CCOCC(C)(C)N Amb18110610 [1,1,0,0,0,0|0,0,1]=3 829 B10R0.15 CC(=O)C\C=C\CC(C)(C)C Amb24766962 [1,1,0,0,0,0|1,0,0]=3 830 B10R0.15 CC(=O)C\C=C\C[Si](C)(C)C Amb24766953 [1,1,0,0,0,0|1,1,0]=4 831 B10R0.15 CC(C)(C)C\C=C\CC(O)=O Amb18644853 [1,1,0,0,0,0|2,0,0]=4 832 B10R0.15 CC(C)(N)COCCC(O)=O Amb18625821 [1,1,0,0,0,0|1,0,1]=4 833 B10R0.15 CC(C)(N)C\C=C\CC(O)=O Amb25385205 [1,1,0,0,0,0|2,0,0]=4 834 B10R0.55 CC(C)COCCC(=O)NN Amb20076063 [1,1,0,0,0,0|1,0,1]=4 835 B10R0.55 CC(C)C\C=C/C=C(\C)/C=O Amb24765097 [1,1,0,0,0,0|1,0,1]=4 836 B10R0.55 CC(C)C\C=C\C=C(/C)\C=O Amb24765098 [1,1,0,0,0,0|1,0,1]=4 837 B10R0.55 CC(C)C\C=C\C=C(C)C=O Amb24764979 [1,1,0,0,0,0|1,0,1]=4 838 B10R0.55 CCC(CCCCC(=O)C)C Amb17619474 [1,1,0,0,0,0|1,0,1]=4 839 B10R0.55 CNC(=O)O\C=C/CC(C)C Amb24766669 [1,1,0,0,0,0|2,0,0]=4 840 B10R0.55 COC(=O)CCCCC(C)C Amb22887139 [1,1,0,0,0,0|1,0,1]=4 841 B10R0.98 CC(=O)\C(\Cl)=C/CCC(C)C Amb25384241 [1,1,0,0,0,0|1,0,1]=4 842 B10R0.98 CC(C)C(O)C\C=C\C(C)=O Amb24764994 [1,1,0,0,0,0|1,0,1]=4 843 B10R0.98 CC(C)C\C=C\C(C)C(O)=O Amb25385206 [1,1,0,0,0,0|2,0,0]=4 844 B10R0.98 C\C(=C/CCC(C)C)\C(C)=O Amb24758035 [1,1,0,0,0,0|1,0,1]=4 845 B10R0.98 C\C(=C\NCC(C)C)\C(C)=O Amb25218196 [1,1,0,0,0,0|1,0,1]=4 846 B10R0.12 CC(C)COC(=O)C(C)(C)C Amb24755769 [0,1,0,0,1,0|1,0,1]=4 847 B10R0.12 CC(C)COC(=O)C(C)(C)F Amb24755770 [0,1,0,0,1,0|1,0,1]=4 848 B10R0.12 CC(C)COC(=O)C(C)(C)N Amb18306037 [0,1,0,0,1,0|1,0,1]=4 849 B10R0.12 CC(C)COC(=O)C(C)(C)O Amb24756201 [0,1,0,0,1,0|0,0,2]=4 850 B10R0.13 CC(=O)C(=O)C(=O)OC(C)C Amb24766827 [0,1,0,0,1,0|2,0,0]=4 851 B10R0.13 CC(C)CC(C)C(=O)C(O)=O Amb18645040 [0,1,0,0,1,0|2,0,0]=4 852 B10R0.13 C\C(=C(\O)/CC(C)C)\C(C)=O Amb25128239 [0,1,0,0,1,0|2,0,0]=4 853 B10R0.82 CC(=C)C(=O)OCC(Br)CBr Amb17934016 [0,1,0,0,1,0|2,0,0]=4 854 B10R0.82 CC(=C)C(=O)OCC(C)CC Amb17934098 [0,1,0,0,1,0|1,0,0]=3 855 B10R0.82 CC(=C)C(=O)OCC(O)CO Amb17934056 [0,1,0,0,1,0|2,0,0]=4 856 B10R0.82 CC(=O)C(=O)NCC(C)C#N Amb25344383 [0,1,0,0,1,0|1,0,1]=4 857 B10R0.82 CC(CNC(=O)C(O)=O)CO Amb24756213 [0,1,0,0,1,0|2,0,0]=4 858 B10R0.82 CCC(C)CNC(=O)C(O)=O Amb18313744 [0,1,0,0,1,0|2,0,0]=4 859 B10R0.84 CC(=O)\C(\CCC(C)C)=N\O Amb24766934 [0,1,0,0,1,0|1,0,1]=4 860 B10R0.84 CC(C)=C(C=O)SCC(C)C Amb25385884 [0,1,0,0,1,0|1,1,0]=4 861 B10R0.92 CC(=C)C(=O)OCC(C)(C)C Amb17933947 [0,1,0,0,1,0|1,0,0]=3 862 B10R0.92 CC(=C)C(=O)OCC(C)(C)O Amb25384281 [0,1,0,0,1,0|1,0,0]=3 863 B10R0.92 CC(=C)C(=O)OC[Ge](C)(C)C Amb19930273 [0,1,0,0,1,0|1,1,0]=4 864 B10R0.92 CC(=C)C(=O)OC[Si](C)(C)C Amb17934176 [0,1,0,0,1,0|1,1,0]=4 865 B10R0.92 CC(=CCC(C)(C)C)C(C)=O Amb24512773 [0,1,0,0,1,0|2,0,0]=4 866 B10R0.92 CC(=NCC(C)(C)O)C(C)=O Amb25347491 [0,1,0,0,1,0|2,0,0]=4 867 B10R0.92 CC(=O)C(=O)OCC(F)(F)F Amb24765014 [0,1,0,0,1,0|2,0,0]=4 868 B10R0.92 CC(C)(C)CCC(=O)C(O)=O Amb24105501 [0,1,0,0,1,0|2,0,0]=4 869 B10R0.92 CC(C)(C)CNC(=O)C(O)=O Amb18972522 [0,1,0,0,1,0|2,0,0]=4 870 B10R0.92 CC(C)(C)COC(=O)C(=O)Cl Amb22231307 [0,1,0,0,1,0|1,0,0]=3 871 B10R0.92 CC(C)(C)COC(=O)C(O)=O Amb25386231 [0,1,0,0,1,0|1,0,0]=3 872 B10R0.92 CC(C)(N)CNC(=O)C(O)=O Amb24751786 [0,1,0,0,1,0|2,0,0]=4 873 B10R0.92 CC(C)(O)CNC(=O)C(O)=O Amb18563509 [0,1,0,0,1,0|2,0,0]=4 874 B10R0.92 CC(OCC(C)(C)N)C(C)=O Amb18625839 [0,1,0,0,1,0|1,0,1]=4 875 B10R0.92 C\C(=N\CC(C)(C)O)\C(C)=O Amb25723185 [0,1,0,0,1,0|2,0,0]=4 876 B10R0.93 CC(=C)C(=O)OC(C)C(C)C Amb17934095 [0,1,0,0,1,0|1,0,0]=3 877 B10R0.93 CC(=O)C(=O)NC(C)C(C)C Amb24386823 [0,1,0,0,1,0|1,0,0]=3 878 B10R0.93 CC(C)C(=O)OC(Cl)C(C)C Amb25386234 [0,1,0,0,1,0|1,0,1]=4 879 B10R0.93 CC(C)[C@H](C)OC(=O)[C@@H](C)N Amb25384059 [0,1,0,0,1,0|1,0,1]=4 880 B10R0.31 CC(=C)CC(=O)CC(C)(C)C Amb24761910 [0,1,0,0,1,0|1,0,0]=3 881 B10R0.31 CC(=C)CC(=O)NC(C)(C)C Amb25333162 [0,1,0,0,1,0|2,0,0]=4 882 B10R0.31 CC(=N)NC(=O)OC(C)(C)C Amb18150889 [0,1,0,0,1,0|2,0,0]=4 883 B10R0.31 CC(=O)CC(=C)CC(C)(C)C Amb24766950 [0,1,0,0,1,0|1,0,0]=3 884 B10R0.31 CC(=O)CC(=C)O[Si](C)(C)C Amb24765439 [0,1,0,0,1,0|1,1,0]=4 885 B10R0.31 CC(=O)CC(=O)OC([2H])([2H])[2H] Amb17617712 [0,1,0,0,1,0|2,0,0]=4 886 B10R0.31 CC(=O)CC(=O)SC(C)(C)C Amb22360781 [0,1,0,0,1,0|0,1,0]=3 887 B10R0.31 CC(=O)CC(O)CC(C)(C)C Amb24766875 [0,1,0,0,1,0|0,0,2]=4 888 B10R0.31 CC(=O)CN(C)CC(C)(C)C Amb18183220 [0,1,0,0,1,0|2,0,0]=4 889 B10R0.31 CC(=O)C\C(\N)=N\C(C)(C)C Amb24676780 [0,1,0,0,1,0|2,0,0]=4 890 B10R0.31 CC(=O)NC(=O)OC(C)(C)C Amb10604092 [0,1,0,0,1,0|1,0,0]=3 891 B10R0.31 CC(C)(C)CC(=C)CC(O)=O Amb18125997 [0,1,0,0,1,0|2,0,0]=4 892 B10R0.31 CC(C)(C)OC(=O)CC(N)=O Amb25385196 [0,1,0,0,1,0|1,0,0]=3 893 B10R0.31 CC(C)(C)OC(=O)C[N+]([O-])=O Amb20247759 [0,1,0,0,1,0|2,0,0]=4 894 B10R0.31 CC(C)(C)OC(=O)NC(=O)Cl Amb25189075 [0,1,0,0,1,0|2,0,0]=4 895 B10R0.31 CC(C)=CC(=O)CC(C)(C)C Amb25149282 [0,1,0,0,1,0|1,0,1]=4 896 B10R0.31 CC(C)=CC(=O)CC(C)(C)N Amb25366411 [0,1,0,0,1,0|1,0,1]=4 897 B10R0.31 CC(C)=CC(=O)CC(C)(C)O Amb24517566 [0,1,0,0,1,0|1,0,1]=4 898 B10R0.31 CC(C)=CC(=O)CC(C)(C)S Amb25767819 [0,1,0,0,1,0|1,0,1]=4 899 B10R0.31 CC(C)=CC(=O)OC(C)(C)C Amb24475810 [0,1,0,0,1,0|1,0,1]=4 900 B10R0.31 CC(C)CC(=O)CS(C)(=O)=O Amb18809097 [0,1,0,0,1,0|1,0,0]=3 901 B10R0.31 CC(C)NC(=O)CS(C)(=O)=O Amb25151394 [0,1,0,0,1,0|2,0,0]=4 902 B10R0.31 CC(C)OC(=O)CC(C)(C)N Amb25381607 [0,1,0,0,1,0|1,0,1]=4 903 B10R0.31 CC(C)OC(=O)CS(=O)(=O)Cl Amb19087649 [0,1,0,0,1,0|2,0,0]=4 904 B10R0.31 CC(C)OC(=O)CS(C)(=O)=O Amb18805028 [0,1,0,0,1,0|1,0,0]=3 905 B10R0.31 CC(C)OC(=O)CS(N)(=O)=O Amb18185006 [0,1,0,0,1,0|2,0,0]=4 906 B10R0.31 CC(CC(C)=O)=CC(C)(C)C Amb24548370 [0,1,0,0,1,0|1,0,1]=4 907 B10R0.31 CC(N)CC(=O)OC(C)(C)C Amb18797513 [0,1,0,0,1,0|1,0,1]=4 908 B10R0.31 CC(N)CC(=O)OC(C)(C)C Amb19373532 [0,1,0,0,1,0|1,0,1]=4 909 B10R0.31 CC(O)CC(=O)OC(C)(C)C Amb25385673 [0,1,0,0,1,0|0,0,2]=4 910 B10R0.31 CN(C)CC(=O)OC(C)(C)C Amb24755507 [0,1,0,0,1,0|2,0,0]=4 911 B10R0.31 CN(N)CC(=O)OC(C)(C)C Amb19958810 [0,1,0,0,1,0|2,0,0]=4 912 B10R0.31 CS(=O)CC(=O)OC(C)(C)C Amb25384207 [0,1,0,0,1,0|1,0,0]=3 913 B10R0.31 C[C@@H](N)CC(=O)OC(C)(C)C Amb22899115 [0,1,0,0,1,0|1,0,1]=4 914 B10R0.31 C[C@@H](O)CC(=O)OC(C)(C)C Amb22744772 [0,1,0,0,1,0|0,0,2]=4 915 B10R0.31 C[C@H](CC(C)=O)CC(C)(C)C Amb24766974 [0,1,0,0,1,0|1,0,1]=4 916 B10R0.31 C[N+](C)(C)CC(=O)CC([O-])=O Amb24765377 [0,1,0,0,1,0|2,0,0]=4 917 B10R0.31 C[Si](C)(C)OC(=O)CC(N)=O Amb24765231 [0,1,0,0,1,0|1,1,0]=4 918 B10R0.31 C[Si](C)(C)OC(=O)CC(O)=O Amb25385244 [0,1,0,0,1,0|1,1,0]=4 919 B10R0.31 C\C(\CC(C)(C)C)=C\C(C)=O Amb25263108 [0,1,0,0,1,0|1,0,1]=4 920 B10R0.31 C\C(\CC(C)=O)=C/C(C)(C)C Amb25151435 [0,1,0,0,1,0|1,0,1]=4 921 B10R0.31 C\C(\N)=N\C(=O)OC(C)(C)C Amb18862529 [0,1,0,0,1,0|2,0,0]=4 922 B10R0.31 C\C(\S)=C\C(=O)CC(C)(C)C Amb25718314 [0,1,0,0,1,0|0,1,1]=4 923 B10R0.31 O=C(OC(C)(C)C)CC(=S)N Amb10610100 [0,1,0,0,1,0|1,1,0]=4 924 B10R0.70 CC(=O)C\C(=C\C(C)C)\OC Amb24764959 [0,1,0,0,1,0|0,0,2]=4 925 B10R0.70 CC(=O)\C=C(\CC(C)C)/OC Amb24766781 [0,1,0,0,1,0|0,0,2]=4 926 B10R0.70 CC(C)CC(C=O)NC(C)=O Amb24765252 [0,1,0,0,1,0|1,0,1]=4 927 B10R0.70 CC(C)C[C@@H](C=O)NC(C)=O Amb25385704 [0,1,0,0,1,0|1,0,1]=4 928 B10R0.165 CC(C)NS(=O)(=O)CC(C)=O Amb24766611 [0,1,0,0,1,0|2,0,0]=4 929 B12R0.240 COC(=O)CC(=O)NCCC(C)C Amb17401123 [0,1,0,0,0,1|1,0,0]=3 930 B12R0.240 COC(=O)CC(=O)NCCN(C)C Amb17401170 [0,1,0,0,0,1|2,0,0]=4 931 B12R0.240 ClCC(=O)NC(=O)NCCC(C)C Amb2265264 [0,1,0,0,0,1|2,0,0]=4 932 B12R0.139 CC(=O)NNC(=O)NC(C)C(C)C Amb25829702 [0,1,0,0,0,1|2,0,0]=4 933 B12R0.139 CC(CNC(=O)N[C@H](C(=O)O)C)C Amb17042512 [0,1,0,0,0,1|2,0,0]=4 934 B12R0.189 COC(=O)CCC(=O)CCC(C)C Amb15693441 [0,1,0,0,0,1|1,0,0]=3 935 B12R0.189 COC(=O)CCC(=O)NCC(C)C Amb17401127 [0,1,0,0,0,1|1,0,0]=3 936 B12R0.189 COC(=O)CNC(=O)NCC(C)C Amb21895807 [0,1,0,0,0,1|1,0,0]=3 937 B12R0.189 COC(C)COC(C)COC(C)=O Amb22733099 [0,1,0,0,0,1|1,0,1]=4 938 B12R0.390 CC(=O)NCC(=O)ONC(C)(C)C Amb24096430 [0,1,0,0,0,1|1,0,0]=3 939 B12R0.390 CC(=O)NNC(=O)NCC(C)(C)C Amb25136764 [0,1,0,0,0,1|2,0,0]=4 940 B12R0.390 CC(COC(=O)CCS(=O)(=O)Cl)C Amb17572174 [0,1,0,0,0,1|2,0,0]=4 941 B12R0.283 CCOC(=O)CC(=O)CCC(C)C Amb19070024 [0,2,0,0,0,0|1,0,0]=3 942 B12R0.283 N#CCC(=O)NC(=O)NCC(C)C Amb17611427 [0,2,0,0,0,0|2,0,0]=4 943 B12R0.484 CC(C)(C)CNC(=O)NC(=O)CCl Amb25702168 [0,2,0,0,0,0|2,0,0]=4 944 B10R1.8 CC1=CC(=O)CC(CC)O1 Amb25370580 [1,0,0,1,0,0|1,0,1]=4 945 B10R1.8 CC1CC(=O)CC(CC)O1 Amb24736207 [1,0,0,1,0,0|1,0,1]=4 946 B10R1.8 CCC1CC(=O)CC(=O)C1 Amb1105770 [1,0,0,1,0,0|1,0,0]=3 947 B10R1.8 CCC1CC(O)CC(=O)O1 Amb25739723 [1,0,0,1,0,0|0,0,2]=4 948 B10R1.8 CCC1NC(=O)CC(=O)N1 Amb24686154 [1,0,0,1,0,0|2,0,0]=4 949 B10R1.8 O=C1C[C@@H](CCl)OC(=O)C1 Amb25083525 [1,0,0,1,0,0|1,0,0]=3 950 B10R1.8 OCC1CC(=O)CC(=O)C1 Amb25312367 [1,0,0,1,0,0|2,0,0]=4 951 B10R1.8 OCC1CC(=O)CC(=O)N1 Amb24579181 [1,0,0,1,0,0|2,0,0]=4 952 B10R1.18 CC(=O)CC1CCCCO1 Amb25298544 [1,0,0,1,0,0|1,0,1]=4 953 B10R1.61 C=C1CCCCC1C(=O)C Amb17593515 [1,0,0,1,0,0|2,0,0]=4 954 B10R1.61 CC(=C)C1CCCCC1=O Amb25146856 [1,0,0,1,0,0|2,0,0]=4 955 B10R1.61 CC(=O)C1CCC=CC1=O Amb24478363 [1,0,0,1,0,0|1,0,1]=4 956 B10R1.61 CC(=O)C1CCCCC1=S Amb24363504 [1,0,0,1,0,0|1,1,0]=4 957 B10R1.61 CC(=O)C1CCCNC1=O Amb22491980 [1,0,0,1,0,0|1,0,0]=3 958 B10R1.61 CC(=O)C1CCCOC1=O Amb24631558 [1,0,0,1,0,0|0,0,0]=2 959 B10R1.61 CC(=O)C1CSCCC1=O Amb24079580 [1,0,0,1,0,0|2,0,0]=4 960 B10R1.61 CC(=O)C1SCCNC1=O Amb24478368 [1,0,0,1,0,0|2,0,0]=4 961 B10R1.61 CC(=O)C1SCCOC1=O Amb24406620 [1,0,0,1,0,0|1,0,0]=3 962 B10R1.61 CC(=O)N1CCCNC1=O Amb25147266 [1,0,0,1,0,0|2,0,0]=4 963 B10R1.61 CC(=S)C1CCCCC1=O Amb25286669 [1,0,0,1,0,0|1,1,0]=4 964 B10R1.61 CC1=CCCCC1C(C)=O Amb25735115 [1,0,0,1,0,0|2,0,0]=4 965 B10R1.61 NC(=O)C1CCCNC1=O Amb2226199 [1,0,0,1,0,0|2,0,0]=4 966 B10R1.61 O=C1CCCCC1C(=O)O Amb16230759 [1,0,0,1,0,0|2,0,0]=4 967 B10R1.61 O=C1CCCCC1C(=O)[Na] Amb25066428 [1,0,0,1,0,0|2,0,0]=4 968 B10R1.61 OC(=O)C1CCCNC1=O Amb15701225 [1,0,0,1,0,0|2,0,0]=4 969 B10R1.61 OC(=O)[C@@H]1CCCNC1=O Amb25795772 [1,0,0,1,0,0|2,0,0]=4 970 B10R1.77 C=C1CC(=O)CCCCC1 Amb24478348 [1,0,0,1,0,0|2,0,0]=4 971 B10R1.77 CC=1CC(=O)CCCCC1 Amb25146549 [1,0,0,1,0,0|2,0,0]=4 972 B10R1.77 O=C1CC(=O)CCCCC1 Amb22497156 [1,0,0,1,0,0|1,0,0]=3 973 B10R1.77 O=C1CC(=O)NCCCN1 Amb24479110 [1,0,0,1,0,0|2,0,0]=4 974 B10R1.110 CC(=C)CC(=O)C1CC1C Amb24381195 [1,0,0,1,0,0|2,0,0]=4 975 B10R1.110 CC(=O)CC(=O)C1C[C@H]1C Amb25114047 [1,0,0,1,0,0|1,0,0]=3 976 B10R1.130 CCCC1CC(=O)NC1=O Amb25069142 [1,0,0,1,0,0|2,0,0]=4 977 B10R1.130 CCCC1CC(=O)OC1=O Amb24460269 [1,0,0,1,0,0|2,0,0]=4 978 B10R1.130 CCCC1OC(=O)CC1=O Amb25830567 [1,0,0,1,0,0|2,0,0]=4 979 B10R1.130 CCCN1CC(=O)CC1=O Amb24624787 [1,0,0,1,0,0|1,0,0]=3 980 B10R1.130 CCON1CC(=O)CC1=O Amb25087299 [1,0,0,1,0,0|2,0,0]=4 981 B10R1.144 CC(=O)C1C=C1CCCC Amb25773405 [1,0,0,1,0,0|2,0,0]=4 982 B10R1.192 CC(=C)C1C(C)CCC1=O Amb25706357 [1,0,0,1,0,0|2,0,0]=4 983 B10R1.192 CC(=O)C1C(C)COC1=O Amb25146783 [1,0,0,1,0,0|0,0,0]=2 984 B10R1.192 CC(=O)C=1C(=O)OCC1C Amb25142673 [1,0,0,1,0,0|0,0,2]=4 985 B10R1.192 CC(=O)N1C(Cl)COC1=O Amb25321890 [1,0,0,1,0,0|2,0,0]=4 986 B10R1.192 C[C@H]1CNC(=O)C1C(O)=O Amb24660740 [1,0,0,1,0,0|2,0,0]=4 987 B10R1.192 C[C@H]1COC(=O)C1C(O)=O Amb24392506 [1,0,0,1,0,0|1,0,0]=3 988 B10R1.266 CC(=O)CC(=O)C1CCC1 Amb21960992 [1,0,0,1,0,0|1,0,0]=3 989 B10R1.266 OC(=O)CC(=O)N1CCC1 Amb24441920 [1,0,0,1,0,0|2,0,0]=4 990 B10R1.268 CC(=C)CC(=O)NC1CC1 Amb25027296 [1,0,0,1,0,0|2,0,0]=4 991 B10R1.268 CC(C)=CC(=O)OC1CC1 Amb25111376 [1,0,0,1,0,0|1,0,1]=4 992 B10R1.268 NC(=O)CC(=O)NC1CC1 Amb25795194 [1,0,0,1,0,0|2,0,0]=4 993 B10R1.268 NC(=O)NC(=O)OC1CC1 Amb25147494 [1,0,0,1,0,0|2,0,0]=4 994 B10R1.268 O=C(CC(=O)O)NC1CC1 Amb17399876 [1,0,0,1,0,0|2,0,0]=4 995 B10R1.293 CCCOC(=O)[C@@H]1C[C@@H]1F Amb24601833 [1,0,0,1,0,0|1,0,1]=4 996 B10R1.293 CCCOC(=O)[C@H]1C[C@H]1F Amb25292988 [1,0,0,1,0,0|1,0,1]=4 997 B10R1.293 C[C@H]1C[C@@H]1C(=O)OCCC Amb24633230 [1,0,0,1,0,0|1,0,1]=4 998 B10R1.330 CC=1CC(=O)CCC(C)C1 Amb24436317 [1,0,0,1,0,0|2,0,0]=4 999 B10R1.30 CC1CC(C=O)C(=O)NC1 Amb25130517 [1,0,0,1,0,0|1,0,0]=3 1000 B10R1.30 CC1CCC(=O)C(C1)CC Amb22059014 [1,0,0,1,0,0|1,0,1]=4 1001 B10R1.30 C\C=C/1\CC(C)CCC1=O Amb24523782 [1,0,0,1,0,0|1,0,1]=4 1002 B10R1.52 CC(C)[C@H]1NC(=O)[C@@H]1CC Amb24541366 [1,0,0,1,0,0|1,0,1]=4 1003 B10R1.59 CC(C)C1CC(=O)NC1=O Amb24640893 [1,0,0,1,0,0|2,0,0]=4 1004 B10R1.59 CC(C)C1NC(=O)CC1=O Amb23598533 [1,0,0,1,0,0|1,0,0]=3 1005 B10R1.59 CC(C)C1OC(=O)CC1O Amb25796429 [1,0,0,1,0,0|0,0,2]=4 1006 B10R1.59 CC(C)C1OC(=O)NC1=O Amb24346671 [1,0,0,1,0,0|1,0,0]=3 1007 B10R1.59 CC(C)C1OC(C)CC1=O Amb25768432 [1,0,0,1,0,0|1,0,1]=4 1008 B10R1.59 CC(C)C1OC(N)=CC1=O Amb23585284 [1,0,0,1,0,0|1,0,1]=4 1009 B10R1.59 CC(C)C1SC(=O)NC1=O Amb23558920 [1,0,0,1,0,0|1,1,0]=4 1010 B10R1.59 CC(C)[C@@H]1CC(=O)C[C@@H]1C Amb24676884 [1,0,0,1,0,0|1,0,1]=4 1011 B10R1.59 CC(C)[C@@H]1CC(=O)C[C@H]1C Amb24706947 [1,0,0,1,0,0|1,0,1]=4 1012 B10R1.59 CC(C)[C@@H]1NC(=O)CC1=O Amb18831766 [1,0,0,1,0,0|1,0,0]=3 1013 B10R1.59 CC(C)[C@@H]1NC(=O)C[C@H]1C Amb24763802 [1,0,0,1,0,0|1,0,1]=4 1014 B10R1.59 CC(C)[C@@H]1NC(=O)SC1=O Amb25070453 [1,0,0,1,0,0|2,0,0]=4 1015 B10R1.59 CC(C)[C@H]1NC(=O)CC1=O Amb25095104 [1,0,0,1,0,0|1,0,0]=3 1016 B10R1.59 CC(C)[C@H]1NC(=O)C[C@@H]1C Amb24515899 [1,0,0,1,0,0|1,0,1]=4 1017 B10R1.59 CC(C)[C@H]1NC(=O)NC1=O Amb25811385 [1,0,0,1,0,0|2,0,0]=4 1018 B10R1.59 CC(C)[C@H]1OC(=O)C[C@@H]1O Amb24748520 [1,0,0,1,0,0|0,0,2]=4 1019 B10R1.59 CC(C1NC(=O)NC1=O)C Amb1156653 [1,0,0,1,0,0|2,0,0]=4 1020 B10R1.59 CC(C1OC(=N)NC1=O)C Amb2222900 [1,0,0,1,0,0|2,0,0]=4 1021 B10R1.59 CC1=CC(=O)CC1C(C)C Amb25322916 [1,0,0,1,0,0|1,0,1]=4 1022 B10R1.59 CC1=CC(=O)C[C@@H]1C(C)C Amb24676907 [1,0,0,1,0,0|1,0,1]=4 1023 B10R1.59 CC1=CC(=O)O[C@H]1[C@H](C)O Amb24757645 [1,0,0,1,0,0|1,0,1]=4 1024 B10R1.59 C[C@@H]1CC(=O)O[C@H]1[C@H](C)Br Amb25239352 [1,0,0,1,0,0|1,0,1]=4 1025 B10R1.59 C[C@H]1CC(=O)O[C@H]1[C@H](C)O Amb25296426 [1,0,0,1,0,0|1,0,1]=4 1026 B10R1.63 CC1(C)CNC(=O)CC1=O Amb24120437 [1,0,0,1,0,0|1,0,0]=3 1027 B10R1.63 CC1(C)CNC(=O)NC1=O Amb25824370 [1,0,0,1,0,0|2,0,0]=4 1028 B10R1.63 CC1(C)CNC(=O)OC1=O Amb25147518 [1,0,0,1,0,0|2,0,0]=4 1029 B10R1.63 CC1(C)COC(=O)CC1=O Amb25706481 [1,0,0,1,0,0|0,0,0]=2 1030 B10R1.63 CC1(C)OCC(=O)CC1=O Amb25146857 [1,0,0,1,0,0|2,0,0]=4 1031 B10R1.63 CC1(C)SCC(=O)CC1=O Amb25759572 [1,0,0,1,0,0|2,0,0]=4 1032 B10R1.63 CC1=CC(=O)CCC1(C)C Amb25838736 [1,0,0,1,0,0|1,0,1]=4 1033 B10R1.63 CC1CC(=O)CCC1(C)C Amb24432280 [1,0,0,1,0,0|1,0,1]=4 1034 B10R1.63 C[C@H]1CC(=O)CCC1(C)C Amb24370158 [1,0,0,1,0,0|1,0,1]=4 1035 B10R1.63 O=C1NC(=O)CCC1(C)C Amb10552860 [1,0,0,1,0,0|2,0,0]=4 1036 B10R1.64 CC(C)CC1CCCC1=O Amb22228859 [1,0,0,1,0,0|1,0,1]=4 1037 B10R1.64 CC(C)CC1CSCC1=O Amb24688356 [1,0,0,1,0,0|2,0,0]=4 1038 B10R1.64 CC(C)CN1CNCC1=O Amb25675350 [1,0,0,1,0,0|2,0,0]=4 1039 B10R1.64 CC(C)C[C@H]1CCCC1=O Amb25126403 [1,0,0,1,0,0|1,0,1]=4 1040 B10R1.64 CC(CN1CCCC1=O)C Amb10564383 [1,0,0,1,0,0|1,0,1]=4 1041 B10R1.71 CC1CNC(=O)CCCC1 Amb25211773 [1,0,0,1,0,0|1,0,1]=4 1042 B10R1.71 C[C@H]1CNC(=O)CCCC1 Amb25239309 [1,0,0,1,0,0|1,0,1]=4 1043 B10R1.82 CC(C)COC1CC(=O)C1 Amb24467900 [1,0,0,1,0,0|1,0,1]=4 1044 B10R1.95 CC1(C)COC(CC=O)=N1 Amb24444886 [1,0,0,1,0,0|1,0,0]=3 1045 B10R1.95 CNCC1=NC(C)(C)CO1 Amb18062559 [1,0,0,1,0,0|2,0,0]=4 1046 B10R1.113 CC(C)C1C=CCC(=O)N1 Amb25772682 [1,0,0,1,0,0|1,0,1]=4 1047 B10R1.113 CC(C)C1CNCC(=O)N1 Amb24351593 [1,0,0,1,0,0|2,0,0]=4 1048 B10R1.113 CC(C)C1COCC(=O)N1 Amb21864801 [1,0,0,1,0,0|2,0,0]=4 1049 B10R1.113 CC(C)[C@@H]1CC(=O)CCC1 Amb24408361 [1,0,0,1,0,0|1,0,1]=4 1050 B10R1.113 CC(C)[C@@H]1COCC(=O)N1 Amb24398707 [1,0,0,1,0,0|2,0,0]=4 1051 B10R1.113 CC(C)[C@H]1CC(=O)CCC1 Amb25204978 [1,0,0,1,0,0|1,0,1]=4 1052 B10R1.113 CC(C)[C@H]1CNCC(=O)N1 Amb25146328 [1,0,0,1,0,0|2,0,0]=4 1053 B10R1.113 CC(C)[C@H]1COCC(=O)N1 Amb25064313 [1,0,0,1,0,0|2,0,0]=4 1054 B10R1.113 CC(O)C1CCCC(=O)O1 Amb25085417 [1,0,0,1,0,0|1,0,1]=4 1055 B10R1.113 C[C@@H](O)[C@@H]1CCCC(=O)O1 Amb24719597 [1,0,0,1,0,0|1,0,1]=4 1056 B10R1.113 C[C@H](O)[C@@H]1CCCC(=O)O1 Amb25283538 [1,0,0,1,0,0|1,0,1]=4 1057 B10R1.136 CC1CC1NC(=O)CNC Amb18298239 [1,0,0,1,0,0|2,0,0]=4 1058 B10R1.136 C[C@@H]1C[C@H]1NC(=O)CCC Amb25848102 [1,0,0,1,0,0|1,0,1]=4 1059 B10R1.136 C[C@@H]1C[C@H]1NC(=O)COC Amb25338412 [1,0,0,1,0,0|2,0,0]=4 1060 B10R1.136 C[C@@H]1C[C@H]1NC(=O)\C=C\C Amb24751975 [1,0,0,1,0,0|1,0,1]=4 1061 B10R1.138 C=CCC(=O)CCC1CC1 Amb24668492 [1,0,0,1,0,0|1,0,1]=4 1062 B10R1.138 CCCC(=O)OCC1CC1 Amb25282896 [1,0,0,1,0,0|0,0,1]=3 1063 B10R1.138 CCCC(=O)OCC1CO1 Amb22002461 [1,0,0,1,0,0|1,0,1]=4 1064 B10R1.138 CCCC(=O)OC[C@H]1CO1 Amb19664807 [1,0,0,1,0,0|1,0,1]=4 1065 B10R1.138 CCNC(=O)OCC1CC1 Amb24431100 [1,0,0,1,0,0|1,0,1]=4 1066 B10R1.138 COCC(=O)OCC1CC1 Amb24397719 [1,0,0,1,0,0|1,0,0]=3 1067 B10R1.138 CSCC(=O)CCC1CC1 Amb25118594 [1,0,0,1,0,0|2,0,0]=4 1068 B10R1.138 CSCC(=O)NCC1CC1 Amb24752176 [1,0,0,1,0,0|2,0,0]=4 1069 B10R1.138 CSCC(=O)OCC1CC1 Amb25143728 [1,0,0,1,0,0|1,0,0]=3 1070 B10R1.138 C\C=C\C(=O)CCC1CC1 Amb25043881 [1,0,0,1,0,0|1,0,1]=4 1071 B10R1.138 C\C=C\C(=O)OCC1CC1 Amb24380432 [1,0,0,1,0,0|0,0,1]=3 1072 B10R1.138 N#CCC(=O)OCC1CC1 Amb24414548 [1,0,0,1,0,0|1,0,1]=4 1073 B10R1.138 NCCC(=O)OCC1CC1 Amb24374030 [1,0,0,1,0,0|1,0,1]=4 1074 B10R1.138 O=C(CCS)OCC1CC1 Amb24447384 [1,0,0,1,0,0|0,1,1]=4 1075 B10R1.138 O=C=NC(=O)OCC1CC1 Amb25758352 [1,0,0,1,0,0|1,0,1]=4 1076 B10R1.140 CC1CC(C1)C(=O)CCC Amb24554710 [1,0,0,1,0,0|1,0,1]=4 1077 B10R1.140 CCCC(=O)N1CC(C)C1 Amb24482707 [1,0,0,1,0,0|1,0,1]=4 1078 B10R1.140 CSCC(=O)N1CC(C)C1 Amb25717394 [1,0,0,1,0,0|2,0,0]=4 1079 B10R1.302 CC1(C)CC=CC(=O)CC1 Amb22356963 [1,0,0,1,0,0|1,0,1]=4 1080 B10R1.302 CC1(C)CCCC(=O)CC1 Amb25843855 [1,0,0,1,0,0|1,0,1]=4 1081 B10R1.302 CC1(C)CNC(=O)CCC1 Amb25147325 [1,0,0,1,0,0|1,0,1]=4 1082 B10R1.302 CC1(C)CNCC(=O)NC1 Amb25704823 [1,0,0,1,0,0|2,0,0]=4 1083 B10R1.302 CC1(C)COC(=O)C=CN1 Amb24377088 [1,0,0,1,0,0|1,0,1]=4 1084 B10R1.400 CCCC(=O)C1CC1(C)C Amb24480836 [1,0,0,1,0,0|1,0,1]=4 1085 B10R1.128 CC(=O)C1=CCCC1(C)C Amb25118522 [1,0,0,1,0,0|1,0,1]=4 1086 B10R1.128 CC(=O)C1CCCC1(C)C Amb24467802 [1,0,0,1,0,0|1,0,1]=4 1087 B10R1.128 CC(=O)C1COCC1(C)C Amb25113527 [1,0,0,1,0,0|0,0,1]=3 1088 B10R1.128 CC(=O)N1COCC1(C)C Amb25130351 [1,0,0,1,0,0|1,0,1]=4 1089 B10R1.128 CC1(C)COCC1C(O)=O Amb25088497 [1,0,0,1,0,0|1,0,1]=4 1090 B10R1.352 CC(=O)CCC1CC1(C)C Amb24380872 [1,0,0,1,0,0|1,0,1]=4 1091 B10R1.368 CC(C)CC1CC1C(C)=O Amb24456697 [1,0,0,1,0,0|1,0,1]=4 1092 B10R1.13 CC(=O)C=1CC[C@@H](C)CC1 Amb24570357 [0,0,0,1,1,0|2,0,0]=4 1093 B10R1.58 CC(C)C1CC(=O)C(=O)O1 Amb25146630 [0,0,0,1,1,0|0,0,0]=2 1094 B10R1.58 CC(C)C1CC(=O)C(Cl)=C1 Amb24584550 [0,0,0,1,1,0|2,0,0]=4 1095 B10R1.58 CC(C)C1CC(=O)C(O)=C1 Amb25066374 [0,0,0,1,1,0|1,0,1]=4 1096 B10R1.58 CC(C)C1CC(N)C(=O)O1 Amb25200018 [0,0,0,1,1,0|1,0,1]=4 1097 B10R1.58 CC(C)[C@H]1CC(=C)C(=O)N1 Amb24479107 [0,0,0,1,1,0|2,0,0]=4 1098 B10R1.58 CC(C)[C@H]1CC(=O)C(Cl)=C1 Amb25735114 [0,0,0,1,1,0|2,0,0]=4 1099 B10R1.58 CC1=CC(NC1=O)C(C)C Amb25194687 [0,0,0,1,1,0|2,0,0]=4 1100 B10R1.58 CC1=C[C@H](OC1=O)[C@@H](C)Br Amb24519817 [0,0,0,1,1,0|2,0,0]=4 1101 B10R1.58 C[C@H](O)[C@@H]1CC(=C)C(=O)O1 Amb25215763 [0,0,0,1,1,0|2,0,0]=4 1102 B10R1.147 CC1(C)COC(=O)C(Br)C1 Amb22289139 [0,0,0,1,1,0|1,0,1]=4 1103 B10R1.147 CC1(C)COC(=O)C(O)C1 Amb22289187 [0,0,0,1,1,0|0,0,2]=4 1104 B10R1.147 CC1=CC(C)(C)CCC1=O Amb20623773 [0,0,0,1,1,0|2,0,0]=4 1105 B10R1.147 CC1=NC(C)(C)CNC1=O Amb25774771 [0,0,0,1,1,0|2,0,0]=4 1106 B10R1.190 CC(=O)C(=O)NC1CC1C Amb25057505 [0,0,0,1,1,0|1,0,0]=3 1107 B10R1.190 CC1CC1NC(=O)C(O)=O Amb18961547 [0,0,0,1,1,0|2,0,0]=4 1108 B10R1.205 CC(=C)C(=O)OCC1CO1 Amb10789131 [0,0,0,1,1,0|2,0,0]=4 1109 B10R1.205 CC(=O)C(=O)NCC1CC1 Amb24482822 [0,0,0,1,1,0|1,0,0]=3 1110 B10R1.205 CC(N)C(=O)OCC1CC1 Amb18305245 [0,0,0,1,1,0|1,0,1]=4 1111 B10R1.205 CC(O)C(=O)OCC1CC1 Amb24465994 [0,0,0,1,1,0|0,0,2]=4 1112 B10R1.205 CC(S)C(=O)OCC1CC1 Amb25342050 [0,0,0,1,1,0|0,1,1]=4 1113 B10R1.205 C[C@@H](N)C(=O)OCC1CC1 Amb25349857 [0,0,0,1,1,0|1,0,1]=4 1114 B10R1.205 C[C@H](O)C(=O)OCC1CC1 Amb25688533 [0,0,0,1,1,0|0,0,2]=4 1115 B10R1.359 CC(=O)C1CC(C)(C)CO1 Amb25194641 [0,0,0,1,1,0|1,0,1]=4 1116 B10R1.360 CC(C)C1OC1(C)C(C)=O Amb25146519 [0,0,0,1,1,0|1,0,1]=4 1117 B10R1.360 CC(C)C1OC1(Cl)C(C)=O Amb25207115 [0,0,0,1,1,0|1,0,1]=4 1118 B10R1.272 CC1(C)CC(=O)CC1(C)C Amb24584649 [0,0,0,1,1,0|1,0,1]=4 1119 B10R1.282 CC(C)C=1C(C1C)C(C)=O Amb25831089 [0,0,0,1,1,0|1,0,1]=4 1120 B10R1.310 CC(C)=C1C(=O)CC1(C)C Amb25146737 [0,0,0,1,1,0|1,0,1]=4 1121 B10R1.310 CC(C)C1C(=O)CC1(C)C Amb25735176 [0,0,0,1,1,0|1,0,1]=4 1122 B10R1.329 CC1(C)CC(=O)C=C(N)C1 Amb22490824 [0,0,0,1,1,0|1,0,1]=4 1123 B10R1.329 CC1(C)CC(=O)CC(=S)N1 Amb25115501 [0,0,0,1,1,0|1,1,0]=4 1124 B10R1.329 CC1(C)CC(=O)NC(=O)N1 Amb24081518 [0,0,0,1,1,0|2,0,0]=4 1125 B10R1.329 CC1(C)CC(=S)CC(=O)C1 Amb24448996 [0,0,0,1,1,0|0,1,0]=3 1126 B10R1.329 CC1(C)CC(Br)=CC(=O)C1 Amb25697572 [0,0,0,1,1,0|1,0,1]=4 1127 B10R1.329 CC1(C)CC(Cl)=CC(=O)C1 Amb21892556 [0,0,0,1,1,0|1,0,1]=4 1128 B10R1.329 CC1(C)CC(F)CC(=O)C1 Amb24742732 [0,0,0,1,1,0|1,0,1]=4 1129 B10R1.329 CC1CC(=O)CC(C)(C)N1 Amb18643755 [0,0,0,1,1,0|1,0,1]=4 1130 B10R1.329 CC1CC(=O)CC(C)(C)O1 Amb25821913 [0,0,0,1,1,0|0,0,2]=4 1131 B10R1.329 CC1CC(=O)CC(C)(O)C1 Amb24356969 [0,0,0,1,1,0|0,0,2]=4 1132 B10R1.329 CC=1CC(=O)CC(C)(C)C1 Amb25146253 [0,0,0,1,1,0|1,0,0]=3 1133 B10R1.329 CC=1CC(=O)OC(C)(C)C1 Amb19944700 [0,0,0,1,1,0|1,0,0]=3 1134 B10R1.329 C[N+]1(C)CC(=O)NC(=O)C1 Amb25055197 [0,0,0,1,1,0|2,0,0]=4 1135 B10R1.329 NC1=CC(=O)CC(C1)(C)C Amb1154153 [0,0,0,1,1,0|1,0,1]=4 1136 B10R1.329 O=C1CC(=O)NC(C1)(C)C Amb15690724 [0,0,0,1,1,0|1,0,0]=3 1137 B10R1.329 O=C1CC(=O)OC(O1)(C)C Amb2553266 [0,0,0,1,1,0|1,0,0]=3 1138 B10R1.329 O=C1[13CH2]C(=O)OC(O1)(C)C Amb17616736 [0,0,0,1,1,0|1,0,0]=3 1139 B10R1.443 CC1(C)CC1(C)CC(C)=O Amb24633876 [0,0,0,1,1,0|1,0,1]=4 1140 B12R1.101 CC(C)CC1=CC(=O)CC(=O)O1 Amb25807578 [0,0,0,1,0,1|0,0,1]=3 1141 B12R1.101 CC(C)CC1CC(=O)CC(=O)N1 Amb24090274 [0,0,0,1,0,1|1,0,0]=3 1142 B12R1.101 CC(C)CC1CC(=O)NC(=O)C1 Amb20669161 [0,0,0,1,0,1|2,0,0]=4 1143 B12R1.101 CC(C)CC1CC(=O)NC(=O)N1 Amb25790439 [0,0,0,1,0,1|2,0,0]=4 1144 B12R1.101 CC(C)CC1CC(=O)OC(=O)C1 Amb22728839 [0,0,0,1,0,1|2,0,0]=4 1145 B12R1.101 CC(C)CN1CC(=O)OC(=O)C1 Amb25063942 [0,0,0,1,0,1|2,0,0]=4 1146 B12R1.101 CC(C)C[C@H]1CC(=O)NC(=O)N1 Amb25055198 [0,0,0,1,0,1|2,0,0]=4 1147 B12R1.101 CC(CN1CC(=O)NC(=O)C1)C Amb17334805 [0,0,0,1,0,1|2,0,0]=4 1148 B12R1.103 CC(=C)CC(=O)C1COC(C)C1 Amb25825783 [0,0,0,1,0,1|2,0,0]=4 1149 B12R1.103 CC(=C)CC(=O)N1CC(C)CC1 Amb24362474 [0,0,0,1,0,1|2,0,0]=4 1150 B12R1.103 CC(=O)CC(=O)N1CC(C)CC1 Amb18788984 [0,0,0,1,0,1|1,0,0]=3 1151 B12R1.103 CC(=O)CC(=O)N1CC(O)CC1 Amb18789436 [0,0,0,1,0,1|2,0,0]=4 1152 B12R1.103 CC1CN(CC1)C(=O)CC(N)=O Amb25343473 [0,0,0,1,0,1|2,0,0]=4 1153 B12R1.103 CC1CN(CC1)C(=O)CC(O)=O Amb18959580 [0,0,0,1,0,1|2,0,0]=4 1154 B12R1.389 CC(=O)Cc1[n]c([n]o1)C(C)C Amb18826582 [0,0,0,1,0,1|1,0,1]=4 1155 B12R1.498 CC(=O)N1[C@H](COC1=O)C(C)C Amb22231271 [0,0,0,1,0,1|1,0,0]=3 1156 B12R1.498 CC(=O)[C@@H]1[C@@H](COC1=O)C(C)C Amb25175023 [0,0,0,1,0,1|0,0,0]=2 1157 B12R1.498 CC(=O)[C@H]1[C@@H](COC1=O)C(C)C Amb24634664 [0,0,0,1,0,1|0,0,0]=2 1158 B12R1.498 CC(C)C1CN=C(C)C1C(C)=O Amb25674183 [0,0,0,1,0,1|2,0,0]=4 1159 B12R1.498 CC(C)C1CNC(=O)C1C(O)=O Amb21937048 [0,0,0,1,0,1|2,0,0]=4 1160 B12R1.498 CC(C)C1COC(=O)C1C(O)=O Amb24355952 [0,0,0,1,0,1|1,0,0]=3 1161 B12R1.861 CC(C)=CCN1CC(=O)CC1=O Amb25361701 [0,0,0,1,0,1|1,0,1]=4 1162 B12R1.861 CC(C)CCC1CC(=O)OC1=O Amb24591276 [0,0,0,1,0,1|2,0,0]=4 1163 B12R1.861 CC(C)CCC1NC(=O)CC1=O Amb24411948 [0,0,0,1,0,1|2,0,0]=4 1164 B12R1.861 CC(C)CCN1CC(=O)CC1=O Amb24385679 [0,0,0,1,0,1|1,0,0]=3 1165 B12R1.861 CC(C)CCN1CC(=O)NC1=O Amb25050563 [0,0,0,1,0,1|2,0,0]=4 1166 B12R1.861 CC=1CC(=O)N(CCC(C)C)N1 Amb18793095 [0,0,0,1,0,1|2,0,0]=4 1167 B12R1.1061 CC(=O)CC(=O)NC1CN(C)C1 Amb25335597 [0,0,0,1,0,1|2,0,0]=4 1168 B12R1.1061 CC1CC(C1)NC(=O)CC(N)=O Amb24533592 [0,0,0,1,0,1|2,0,0]=4 1169 B12R1.1061 CC1CC(C1)NC(=O)CC(O)=O Amb24492838 [0,0,0,1,0,1|2,0,0]=4 1170 B12R1.1218 CC(C)C1COC(=O)CC(C)C1 Amb24441636 [0,0,0,1,0,1|1,0,1]=4 1171 B12R1.1218 CC(C)[C@H]1COC(=O)C[C@H](C)C1 Amb25313601 [0,0,0,1,0,1|1,0,1]=4 1172 B12R1.1258 CC(=O)C1C(=C)CCCC1(C)C Amb25093751 [0,0,0,1,0,1|2,0,0]=4 1173 B12R1.1258 CC(=O)C1C(=O)CCCC1(C)C Amb24693781 [0,0,0,1,0,1|1,0,0]=3 1174 B12R1.1258 CC(=O)C1C(=O)CCOC1(C)C Amb25370734 [0,0,0,1,0,1|1,0,0]=3 1175 B12R1.2685 CC(=O)CC(=O)NC1CC1(C)C Amb18806127 [0,0,0,1,0,1|1,0,0]=3 1176 B12R1.2685 CC1(C)CC1NC(=O)CC(N)=O Amb24718141 [0,0,0,1,0,1|2,0,0]=4 1177 B12R1.2685 CC1(C)CC1NC(=O)CC(O)=O Amb18987338 [0,0,0,1,0,1|2,0,0]=4 1178 B12R1.21 CC(=O)COC=1CCC(C)CC1 Amb25370724 [0,0,0,1,0,1|2,0,0]=4 1179 B12R1.21 CC(C)COC1CCC(=O)CC1 Amb24388625 [0,0,0,1,0,1|1,0,1]=4 1180 B12R1.127 CC(=C)CC1CC(C)CCC1=O Amb18798685 [0,0,0,1,0,1|2,0,0]=4 1181 B12R1.127 CC(=O)CN1CC(C)CCC1=O Amb25218007 [0,0,0,1,0,1|1,0,0]=3 1182 B12R1.127 CC(=O)OC1CC(C)CCC1=O Amb24532708 [0,0,0,1,0,1|1,0,0]=3 1183 B12R1.127 CC(=O)O[C@@H]1C[C@@H](C)CCC1=O Amb24631563 [0,0,0,1,0,1|1,0,0]=3 1184 B12R1.127 CC(C)=CC1CC(C)CCC1=O Amb25282843 [0,0,0,1,0,1|2,0,0]=4 1185 B12R1.127 CC(C)=C[C@@H]1C[C@@H](C)CCC1=O Amb24614262 [0,0,0,1,0,1|2,0,0]=4 1186 B12R1.127 CC(C)CC1=NC(=O)CNC1=O Amb25159560 [0,0,0,1,0,1|2,0,0]=4 1187 B12R1.127 CC(C)CC1NC(=O)CSC1=O Amb24453764 [0,0,0,1,0,1|2,0,0]=4 1188 B12R1.127 CC(C)CN1CC(=O)CCC1=O Amb25158238 [0,0,0,1,0,1|1,0,0]=3 1189 B12R1.127 CC(C)C[C@@H]1NC(=O)CNC1=O Amb22757063 [0,0,0,1,0,1|2,0,0]=4 1190 B12R1.127 CC(CC1NC(=O)CNC1=O)C Amb1821337 [0,0,0,1,0,1|2,0,0]=4 1191 B12R1.127 CC1CC(CC(O)=O)C(=O)CC1 Amb18647358 [0,0,0,1,0,1|2,0,0]=4 1192 B12R1.147 CC(=C)CNC(=O)NC1CC1C Amb25188014 [0,0,0,1,0,1|2,0,0]=4 1193 B12R1.147 CC(=O)NNC(=O)CC1CC1C Amb25188072 [0,0,0,1,0,1|2,0,0]=4 1194 B12R1.147 CC1CC1NC(=O)CNC(N)=O Amb25204886 [0,0,0,1,0,1|2,0,0]=4 1195 B12R1.147 CC1CC1NC(=O)CNC(O)=O Amb24613731 [0,0,0,1,0,1|2,0,0]=4 1196 B12R1.147 CC1CC1NC(=O)NCC(O)=O Amb18990746 [0,0,0,1,0,1|2,0,0]=4 1197 B12R1.213 CC(=O)OC1C(NC1=O)C(C)C Amb24419966 [0,0,0,1,0,1|1,0,0]=3 1198 B12R1.213 CC(C)CC1C(OC1=O)C(O)=O Amb24734945 [0,0,0,1,0,1|2,0,0]=4 1199 B12R1.221 CC(=O)NCC(=O)N1CC(F)C1 Amb25106719 [0,0,0,1,0,1|2,0,0]=4 1200 B12R1.221 CC(=O)NNC(=O)C1CC(C)C1 Amb25355684 [0,0,0,1,0,1|2,0,0]=4 1201 B12R1.221 CC(C)CNC(=O)C1CC(=O)C1 Amb24675199 [0,0,0,1,0,1|1,0,0]=3 1202 B12R1.221 CC(O)CNC(=O)C1CC(=O)C1 Amb25802564 [0,0,0,1,0,1|2,0,0]=4 1203 B12R1.221 CC1CC(C1)C(=O)NCC(N)=O Amb25222017 [0,0,0,1,0,1|2,0,0]=4 1204 B12R1.221 CC1CC(C1)C(=O)NCC(O)=O Amb25295764 [0,0,0,1,0,1|2,0,0]=4 1205 B12R1.221 C[C@@H](O)CNC(=O)C1CC(=O)C1 Amb25712034 [0,0,0,1,0,1|2,0,0]=4 1206 B12R1.221 C[C@H](O)CNC(=O)C1CC(=O)C1 Amb25307288 [0,0,0,1,0,1|2,0,0]=4 1207 B12R1.850 CC(=C)C1OC(=O)NC1C(C)C Amb25276550 [0,0,0,1,0,1|2,0,0]=4 1208 B12R1.850 CC(=C)[C@@H]1OC(=O)N[C@H]1C(C)C Amb25174814 [0,0,0,1,0,1|2,0,0]=4 1209 B12R1.850 CC(=O)C1OC(=O)NC1C(C)C Amb25858249 [0,0,0,1,0,1|1,0,0]=3 1210 B12R1.850 CC(C)C1NC(=O)CC1C(O)=O Amb25322227 [0,0,0,1,0,1|2,0,0]=4 1211 B12R1.850 CC(C)C1OC(=O)NC1C(O)=O Amb18127009 [0,0,0,1,0,1|1,0,0]=3 1212 B12R1.850 CC(C)[C@@H]1CC(=O)N[C@H]1C(O)=O Amb24650014 [0,0,0,1,0,1|2,0,0]=4 1213 B12R1.850 CC(C)[C@@H]1NC(=O)C[C@H]1C(O)=O Amb18198654 [0,0,0,1,0,1|2,0,0]=4 1214 B12R1.850 CC(C)[C@@H]1NC(=O)N[C@@H]1C(N)=O Amb25046327 [0,0,0,1,0,1|2,0,0]=4 1215 B12R1.850 CC(C)[C@@H]1NC(=O)N[C@H]1C(N)=O Amb24601826 [0,0,0,1,0,1|2,0,0]=4 1216 B12R1.850 CC(C)[C@@H]1OC(=O)N[C@H]1C(O)=O Amb25362133 [0,0,0,1,0,1|1,0,0]=3 1217 B12R1.850 CC(C)[C@H]1NC(=O)C[C@@H]1C(O)=O Amb24605104 [0,0,0,1,0,1|2,0,0]=4 1218 B12R1.850 CC(C)[C@H]1NC(=O)N[C@@H]1C(N)=O Amb24760571 [0,0,0,1,0,1|2,0,0]=4 1219 B12R1.1219 CC(C)C1CC(C)CCC(=O)O1 Amb25780659 [0,0,0,1,0,1|1,0,1]=4 1220 B12R1.1219 CC(C)C1CC(C)COC(=O)C1 Amb24488772 [0,0,0,1,0,1|1,0,1]=4 1221 B12R1.1220 CC1(C)COC(=O)CCC(=O)N1 Amb25137111 [0,0,0,1,0,1|1,0,0]=3 1222 B12R1.1282 CC(=O)N1CC(=O)NCC1(C)C Amb25285293 [0,0,0,1,0,1|1,0,0]=3 1223 B12R1.1282 CC(C)C1OC(=O)OCC1(C)C Amb24359880 [0,0,0,1,0,1|1,0,1]=4 1224 B12R1.1282 CC(C)N1CC(=O)OCC1(C)C Amb24429972 [0,0,0,1,0,1|1,0,1]=4 1225 B12R1.1282 CC1(C)CCC(=O)NC1C(O)=O Amb25751189 [0,0,0,1,0,1|2,0,0]=4 1226 B12R1.1806 CC(=O)CCC1=NC(C)(C)CO1 Amb25767058 [0,0,0,1,0,1|1,0,0]=3 1227 B12R1.1806 CC(=O)CCC1=NCC(C)(C)O1 Amb24706876 [0,0,0,1,0,1|1,0,1]=4 1228 B12R1.2242 CC(=C)CNC(=O)C1CC1(C)C Amb25082914 [0,0,0,1,0,1|2,0,0]=4 1229 B12R1.2242 CC(=O)CNC(=O)C1CC1(C)C Amb25725207 [0,0,0,1,0,1|1,0,0]=3 1230 B12R1.2242 CC(=O)NNC(=O)[C@H]1CC1(C)C Amb24371743 [0,0,0,1,0,1|2,0,0]=4 1231 B12R1.2242 CC1(C)C[C@@H]1C(=O)NCC(N)=O Amb25852709 [0,0,0,1,0,1|2,0,0]=4 1232 B12R1.3805 CC(=O)NC1C(=O)OCC1(C)C Amb25739001 [0,0,0,1,0,1|0,0,0]=2 1233 B12R1.3805 CC(=O)NC1C(=O)SCC1(C)C Amb24537934 [0,0,0,1,0,1|0,1,0]=3 1234 B12R1.3805 CC(=O)NC1C(=O)SSC1(C)C Amb16763249 [0,0,0,1,0,1|1,1,0]=4 1235 B12R1.3805 CC(=O)OC1C(=O)C=CC1(C)C Amb25370758 [0,0,0,1,0,1|1,0,1]=4 1236 B12R1.3805 CC(=O)O[C@H]1C(=O)OCC1(C)C Amb25741967 [0,0,0,1,0,1|0,0,0]=2 1237 B12R1.3805 CC(=O)\C=C/1\C(=O)OCC1(C)C Amb25807592 [0,0,0,1,0,1|0,0,1]=3 1238 B12R1.3805 CC(=O)\C=C\1/C(=O)OCC1(C)C Amb24422431 [0,0,0,1,0,1|0,0,1]=3 1239 B12R1.3805 CC/1(C)COC(=O)\C1=C/C(O)=O Amb24425556 [0,0,0,1,0,1|1,0,1]=4 1240 B12R1.3805 CC1(C)CCC(=O)C1CC(O)=O Amb25138781 [0,0,0,1,0,1|2,0,0]=4 1241 B12R1.111 CC(=O)C1CC(CC1=O)C(C)C Amb25110025 [0,1,0,1,0,0|1,0,0]=3 1242 B12R1.111 CC(=O)C1CC(OC1=O)C(C)C Amb23455750 [0,1,0,1,0,0|0,0,0]=2 1243 B12R1.111 CC(=O)C1C[C@H](CC1=O)C(C)C Amb25751403 [0,1,0,1,0,0|1,0,0]=3 1244 B12R1.152 CC(=O)CC(=O)NC1CCC1C Amb25123040 [0,1,0,1,0,0|1,0,0]=3 1245 B12R1.232 CC1CC(C(=O)C=C1C)C(C)=O Amb25263587 [0,1,0,1,0,0|1,0,1]=4 1246 B12R1.851 CC(=O)C1C(=O)OC(C)C1(C)C Amb25683368 [0,1,0,1,0,0|0,0,0]=2 1247 B12R1.851 CC(=O)[C@@H]1C(=O)O[C@@H](C)C1(C)C Amb25766040 [0,1,0,1,0,0|0,0,0]=2 1248 B12R1.864 CC=1CC(=O)N(N1)C(C)C(C)C Amb24661029 [0,1,0,1,0,0|2,0,0]=4 1249 B12R1.984 CC(C)=CC(=O)OC1(C)CC1C Amb25792026 [0,1,0,1,0,0|1,0,1]=4 1250 B12R1.2897 CC(=O)C1C(=O)OC1(C)C(C)C Amb25674210 [0,1,0,1,0,0|0,0,0]=2 1251 B12R1.2897 CC(=O)[C@H]1C(=O)O[C@@]1(C)C(C)C Amb25320833 [0,1,0,1,0,0|0,0,0]=2 1252 B12R1.844 CC(=O)CC1=CC(C)(C)CC1=O Amb24752468 [0,1,0,1,0,0|2,0,0]=4 1253 B12R1.990 CC1CC1NC(=O)CS(C)(=O)=O Amb24474927 [0,1,0,1,0,0|2,0,0]=4 1254 B12R1.1049 CC1CN(C1)C(=O)CS(C)(=O)=O Amb25845160 [0,1,0,1,0,0|2,0,0]=4 1255 B12R1.11 CC(C)C1CC(=O)C=C(O1)OC Amb25347512 [0,1,0,1,0,0|0,0,2]=4 1256 B12R1.11 CC(C)C1CC(=O)CC(O1)OC Amb24531586 [0,1,0,1,0,0|0,0,2]=4 1257 B12R1.11 CC(C)[C@@H]1CC(=O)C=C(CC)O1 Amb24722856 [0,1,0,1,0,0|1,0,1]=4 1258 B12R1.11 CC(C)[C@H]1CC(=O)C=C(CC)O1 Amb25729151 [0,1,0,1,0,0|1,0,1]=4 1259 B12R1.226 CC(C)COC=1CC(=O)CCC1 Amb24740113 [0,1,0,1,0,0|1,0,0]=3 1260 B12R1.233 CC(=O)CN1CCC(C)CC1=O Amb25178934 [0,1,0,1,0,0|2,0,0]=4 1261 B12R1.233 CC(C)CC1CCC(=O)CC1=O Amb24668789 [0,1,0,1,0,0|1,0,0]=3 1262 B12R1.233 CC(C)CC1CCC(=O)NC1=O Amb20241854 [0,1,0,1,0,0|2,0,0]=4 1263 B12R1.233 CC(C)CC1CNC(=O)CC1=O Amb24497098 [0,1,0,1,0,0|1,0,0]=3 1264 B12R1.233 CC(C)CC1NCC(=O)NC1=O Amb24483519 [0,1,0,1,0,0|2,0,0]=4 1265 B12R1.303 CC1CC1NC(=O)NC(=O)CCl Amb19073206 [0,1,0,1,0,0|2,0,0]=4 1266 B12R1.307 CNC(=O)CC(=O)N1CC(C)C1 Amb25372591 [0,1,0,1,0,0|1,0,0]=3 1267 B12R1.307 CNC(=O)CC(=O)N1CC(O)C1 Amb25092698 [0,1,0,1,0,0|2,0,0]=4 1268 B12R1.354 CC1CCC(=O)C(C1)C(=O)CC Amb18799099 [0,1,0,1,0,0|1,0,0]=3 1269 B12R1.354 CC1CCC(=O)C(C1)C(=O)OC Amb25764671 [0,1,0,1,0,0|1,0,0]=3 1270 B12R1.354 COC(=O)C1CN(C)CCC1=O Amb1048130 [0,1,0,1,0,0|2,0,0]=4 1271 B12R1.354 COC(=O)C1CN(C)CCC1=O Amb1980776 [0,1,0,1,0,0|2,0,0]=4 1272 B12R1.511 CC(C)C1OC(=O)CC(=O)C1C Amb24707075 [0,1,0,1,0,0|0,0,0]=2 1273 B12R1.511 CC(C)[C@@H]1OC(=O)C[C@H](C)[C@H]1O Amb24749647 [0,1,0,1,0,0|0,0,2]=4 1274 B12R1.511 CC1=CC(=O)C(C)C(O1)C(C)C Amb24537919 [0,1,0,1,0,0|1,0,1]=4 1275 B12R1.511 CC1=CC(=O)OC(C1Cl)C(C)C Amb25275154 [0,1,0,1,0,0|1,0,1]=4 1276 B12R1.511 CC1=CC(=O)O[C@H]([C@@H]1O)C(C)C Amb24618774 [0,1,0,1,0,0|0,0,2]=4 1277 B12R1.511 CC1=CC(=O)O[C@H]([C@H]1Cl)C(C)C Amb24626631 [0,1,0,1,0,0|1,0,1]=4 1278 B12R1.854 CC(C)CC1C(=O)CC(=O)N1C Amb25233738 [0,1,0,1,0,0|1,0,0]=3 1279 B12R1.854 CC(C)C[C@H]1C(=O)CC(=O)N1C Amb25093690 [0,1,0,1,0,0|1,0,0]=3 1280 B12R1.1673 CCC(=O)CC1=NC(C)(C)CO1 Amb24633502 [0,1,0,1,0,0|1,0,0]=3 1281 B12R1.1712 COC(=O)C1C(=O)CCC1(C)C Amb24724076 [0,1,0,1,0,0|1,0,0]=3 1282 B12R1.1712 COC(=O)C1C(=O)NCC1(C)C Amb25704385 [0,1,0,1,0,0|1,0,0]=3 1283 B12R1.1712 COC(=O)C1C(=O)OCC1(C)C Amb25224975 [0,1,0,1,0,0|0,0,0]=2 1284 B12R1.1718 CC(C)C1OC(=O)C1C(O)CC Amb24672690 [0,1,0,1,0,0|0,0,2]=4 1285 B12R1.1852 CC(C)CN1CC(CC1=O)C=O Amb23449564 [0,1,0,1,0,0|1,0,1]=4 1286 B12R1.1852 CC(C)CN1N=C(CN)CC1=O Amb18908782 [0,1,0,1,0,0|2,0,0]=4 1287 B12R1.358 CC(=CCl)C1CC(=O)CC(=O)O1 Amb25060742 [0,1,0,1,0,0|0,0,2]=4 1288 B12R1.358 CC(CC)C1CC(O)CC(=O)O1 Amb25817265 [0,1,0,1,0,0|0,0,2]=4 1289 B12R1.358 COC(=O)C1CC(=O)CC(=O)O1 Amb25714274 [0,1,0,1,0,0|1,0,1]=4 1290 B12R1.358 C[C@@H](CC)[C@@H]1C[C@H](O)CC(=O)O1 Amb24588278 [0,1,0,1,0,0|0,0,2]=4 1291 B12R1.453 CC(=O)C1CC(CCC1=O)CC Amb18799100 [0,1,0,1,0,0|1,0,0]=3 1292 B12R1.453 CC(=O)C1CC(CCC1=O)OC Amb25060183 [0,1,0,1,0,0|1,0,0]=3 1293 B12R1.453 CC(=O)C1CN(CCC1=O)CC Amb20413993 [0,1,0,1,0,0|2,0,0]=4 1294 B12R1.453 CCC1CC(C(C)=CC1)C(C)=O Amb25371939 [0,1,0,1,0,0|2,0,0]=4 1295 B12R1.532 CC(CC1CC(=O)NC1=O)CC Amb25821679 [0,1,0,1,0,0|2,0,0]=4 1296 B12R1.532 CCC(C)CN1CC(=O)CC1=O Amb25739296 [0,1,0,1,0,0|1,0,0]=3 1297 B12R1.532 COC(C)CN1CC(=O)CC1=O Amb24653186 [0,1,0,1,0,0|1,0,0]=3 1298 B12R1.532 COC(C)CN1CC(=O)NC1=O Amb25110549 [0,1,0,1,0,0|2,0,0]=4 1299 B12R1.532 CSC(C)CN1CC(=O)CC1=O Amb25302544 [0,1,0,1,0,0|1,0,0]=3 1300 B12R1.1236 CC(=O)N1CCC(C)CCC1=O Amb25042925 [0,1,0,1,0,0|2,0,0]=4 1301 B12R1.46 CC(=O)C1CC(C)CNC1=NO Amb25351665 [0,1,0,1,0,0|1,0,1]=4 1302 B12R1.974 CC(=O)CN1CCC(C)(C)C1=O Amb24591144 [0,1,0,1,0,0|2,0,0]=4 1303 B12R1.1024 CC(C)CN1CC(C1=O)C(O)=O Amb18862853 [0,1,0,1,0,0|2,0,0]=4 1304 B12R1.2680 CC(=O)CC(=O)N1CC(C)(C)C1 Amb25136999 [0,1,0,1,0,0|1,0,0]=3 1305 B12R1.2680 CC(=O)CC(=O)N1CC(C)(O)C1 Amb24572444 [0,1,0,1,0,0|1,0,0]=3 1306 B12R1.2680 CC1(C)CN(C1)C(=O)CC(O)=O Amb24554290 [0,1,0,1,0,0|2,0,0]=4 1307 B12R1.2680 CC1(O)CN(C1)C(=O)CC(O)=O Amb24614658 [0,1,0,1,0,0|2,0,0]=4 1308 B12R1.148 CC1CC1NC(=O)C(C)C(O)=O Amb25272036 [0,1,0,1,0,0|2,0,0]=4 1309 B12R1.350 CC(=C)C1OC(C)(C)CCC1=O Amb24725351 [0,1,0,1,0,0|2,0,0]=4 1310 B12R1.350 CC(=O)C1=CC(C)(C)COC1=O Amb25053032 [0,1,0,1,0,0|0,0,1]=3 1311 B12R1.350 CC(=O)C1CC(C)(C)CCC1=O Amb24424662 [0,1,0,1,0,0|1,0,0]=3 1312 B12R1.350 CC1(C)COC(=O)C(=C1)C(O)=O Amb18647289 [0,1,0,1,0,0|1,0,1]=4 1313 B12R1.1005 CC(C)C1CC(O)C(C)C(=O)O1 Amb25048542 [0,1,0,1,0,0|0,0,2]=4 1314 B12R1.1276 CC1=NN(CC(C)C)C(=O)C1C Amb18793089 [0,1,0,1,0,0|2,0,0]=4 1315 B12R1.1276 CC1=NN(CC(C)C)C(=O)C1F Amb25154594 [0,1,0,1,0,0|2,0,0]=4 1316 B12R1.3010 CC1C(=O)NCC(C)(C)CC1=O Amb25242988 [0,1,0,1,0,0|1,0,0]=3 1317 B12R1.102 CC(C)(C)C1CC(=O)NC(=O)C1 Amb25208898 [0,1,0,1,0,0|2,0,0]=4 1318 B12R1.102 CC(C)(C)C1CC(=O)NC(=O)N1 Amb24356760 [0,1,0,1,0,0|2,0,0]=4 1319 B12R1.102 CC(C)(C)C1CC(O)CC(=O)O1 Amb25296179 [0,1,0,1,0,0|0,0,2]=4 1320 B12R1.102 CC(C)(C)[C@@H]1CC(O)CC(=O)O1 Amb25092111 [0,1,0,1,0,0|0,0,2]=4 1321 B12R1.102 CC(C)(C)[C@@H]1C[C@H](O)CC(=O)O1 Amb25175190 [0,1,0,1,0,0|0,0,2]=4 1322 B12R1.102 CC1=CC(=O)OC(O1)C(C)(C)C Amb25772955 [0,1,0,1,0,0|0,0,2]=4 1323 B12R1.102 CC1=CC(=O)O[C@@H](O1)C(C)(C)C Amb22225181 [0,1,0,1,0,0|0,0,2]=4 1324 B12R1.102 CC1CC(=O)OC(O1)C(C)(C)C Amb25159645 [0,1,0,1,0,0|0,0,2]=4 1325 B12R1.102 CC1CC(=O)O[C@@H](O1)C(C)(C)C Amb16226893 [0,1,0,1,0,0|0,0,2]=4 1326 B12R1.102 C[C@@H]1CC(=O)O[C@@H](O1)C(C)(C)C Amb22353063 [0,1,0,1,0,0|0,0,2]=4 1327 B12R2.212 CC1COC2CC(=O)CC1O2 Amb25143350 [0,0,0,2,0,0|0,0,2]=4 1328 B12R2.212 C[C@@H]1CO[C@H]2CC(=O)C[C@@H]1O2 Amb24545685 [0,0,0,2,0,0|0,0,2]=4 1329 B12R2.606 C[C@H]1C[C@@H]2CC(=O)C=C2OC1 Amb24583012 [0,0,0,2,0,0|1,0,1]=4 1330 B12R2.789 CC1C[C@H]2[C@@H]1NC(=O)NC2=O Amb24627953 [0,0,0,2,0,0|2,0,0]=4 1331 B12R2.1137 CC1(C)C2C(=C)CC1CC2=O Amb25373028 [0,0,0,2,0,0|2,0,0]=4 1332 B12R2.2294 O=C1CC(CC(=O)C1)C2CC2 Amb24676058 [0,0,0,2,0,0|1,0,0]=3 1333 B12R2.2294 O=C1CC(CC(=O)N1)C2CC2 Amb25123615 [0,0,0,2,0,0|2,0,0]=4 1334 B12R2.2294 O=C1CC(NC(=O)C1)C2CC2 Amb25189205 [0,0,0,2,0,0|1,0,0]=3 1335 B12R2.2294 O=C1CC(NC(=O)N1)C2CC2 Amb25150191 [0,0,0,2,0,0|2,0,0]=4 1336 B12R2.2298 O=C1CC(CC1)OCC2CC2 Amb25844366 [0,0,0,2,0,0|1,0,1]=4 1337 B12R2.2455 CC1=CC2C1C(=O)CC2(C)C Amb25723263 [0,0,0,2,0,0|2,0,0]=4 1338 B12R2.1203 CC12COC(=O)C1(C2)C(C)=O Amb25729188 [0,0,0,2,0,0|0,0,0]=2 1339 B12R2.2911 CC12CC(C(=O)N1)C(=O)CC2 Amb23596867 [0,0,0,2,0,0|2,0,0]=4 1340 B12R2.2911 CC1=CC2(C)CC1C(=O)CC2 Amb24722938 [0,0,0,2,0,0|2,0,0]=4 1341 B12R2.2911 CC1=CC[C@]2(C)C[C@H]1C(=O)C2 Amb24599021 [0,0,0,2,0,0|2,0,0]=4 1342 B12R2.2310 O=C1CC(CC2CC2)C(=O)N1 Amb24612746 [0,0,0,2,0,0|2,0,0]=4 1343 B12R2.1064 CC1=CC2CC(C)(C)C1C2=O Amb25150162 [0,0,0,2,0,0|2,0,0]=4 1344 B12R2.5342 CC1CC2C(C1)C(=O)NC2=O Amb24685408 [0,0,0,2,0,0|2,0,0]=4 1345 B12R2.5342 CC1CC2C(C1)C(=O)OC2=O Amb25244470 [0,0,0,2,0,0|2,0,0]=4 1346 B12R2.1201 CC12CCC(=C)C1C(=O)CC2 Amb24570437 [0,0,0,2,0,0|2,0,0]=4 1347 B12R2.1201 CC1=CC[C@@]2(C)CCC(=O)[C@H]21 Amb24573446 [0,0,0,2,0,0|2,0,0]=4 1348 B8R0.8 CC(=C)C(=O)OCCBr Amb17933963 [1,0,0,0,1,0|2,0,0]=4 1349 B8R0.8 CC(=C)C(=O)OCCC Amb17933169 [1,0,0,0,1,0|1,0,0]=3 1350 B8R0.8 CC(=C)C(=O)OCCCl Amb17933973 [1,0,0,0,1,0|2,0,0]=4 1351 B8R0.8 CC(=C)C(=O)OCCF Amb10839749 [1,0,0,0,1,0|2,0,0]=4 1352 B8R0.8 CC(=C)C(=O)OCCO Amb24061252 [1,0,0,0,1,0|2,0,0]=4 1353 B8R0.8 CC(=O)C(=C)OCCN Amb22015303 [1,0,0,0,1,0|2,0,0]=4 1354 B8R0.8 CC(=O)C(=O)CSCC Amb24378469 [1,0,0,0,1,0|2,0,0]=4 1355 B8R0.8 CC(=O)C(=O)NCCO Amb25803555 [1,0,0,0,1,0|2,0,0]=4 1356 B8R0.8 CC(=O)C(=O)OCC=C Amb24516175 [1,0,0,0,1,0|0,0,2]=4 1357 B8R0.8 CC(=O)C(=O)OCCC Amb25838665 [1,0,0,0,1,0|0,0,0]=2 1358 B8R0.8 CC(=O)\C(\Cl)=C\CCC Amb24388360 [1,0,0,0,1,0|2,0,0]=4 1359 B8R0.8 CCCCC(=O)C(O)=O Amb18642761 [1,0,0,0,1,0|2,0,0]=4 1360 B8R0.8 CCCCC(=O)C(O)=O Amb22348245 [1,0,0,0,1,0|2,0,0]=4 1361 B8R0.8 CCCNC(=O)C(=O)C Amb17399819 [1,0,0,0,1,0|1,0,0]=3 1362 B8R0.8 CCCOC(=C)C(O)=O Amb18642781 [1,0,0,0,1,0|2,0,0]=4 1363 B8R0.8 CCCOC(=O)C(C)Br Amb24351605 [1,0,0,0,1,0|1,0,1]=4 1364 B8R0.8 CCCOC(=O)C(N)=O Amb25146150 [1,0,0,0,1,0|1,0,0]=3 1365 B8R0.8 CCCOC(=O)N(C)O Amb24605999 [1,0,0,0,1,0|1,0,1]=4 1366 B8R0.8 CCCOC(=O)[C@@H](C)O Amb22746511 [1,0,0,0,1,0|0,0,2]=4 1367 B8R0.8 CCC\C=C(\C(=O)C)/C Amb17593317 [1,0,0,0,1,0|2,0,0]=4 1368 B8R0.8 O=C(Cl)C(=O)OCCCl Amb25363411 [1,0,0,0,1,0|2,0,0]=4 1369 B8R0.8 OC(=O)C(=O)OCCCl Amb25378823 [1,0,0,0,1,0|2,0,0]=4 1370 B8R0.28 CC(=O)CC=C=C(C)C Amb17593280 [1,0,0,0,1,0|0,0,2]=4 1371 B8R0.28 CC(=O)CCO[SiH](C)C Amb25233637 [1,0,0,0,1,0|0,1,1]=4 1372 B8R0.28 CC(=O)COCC(F)F Amb24396675 [1,0,0,0,1,0|2,0,0]=4 1373 B8R0.28 CC(=O)C\C=C/N(C)C Amb25335355 [1,0,0,0,1,0|1,0,1]=4 1374 B8R0.28 CC(=O)\C=C\CN(C)C Amb24557401 [1,0,0,0,1,0|1,0,1]=4 1375 B8R0.28 CC(Br)CCCC(C)=O Amb24340312 [1,0,0,0,1,0|1,0,1]=4 1376 B8R0.28 CC(C)/C=C/CC(O)=O Amb17844074 [1,0,0,0,1,0|1,0,1]=4 1377 B8R0.28 CC(C)=COCC(C)=O Amb24389019 [1,0,0,0,1,0|0,0,2]=4 1378 B8R0.28 CC(C)C=C=CC(C)=O Amb25834315 [1,0,0,0,1,0|1,0,1]=4 1379 B8R0.28 CC(C)CCCC(=O)Cl Amb24477882 [1,0,0,0,1,0|1,0,1]=4 1380 B8R0.28 CC(C)CCCC(C)=C Amb22228386 [1,0,0,0,1,0|1,0,1]=4 1381 B8R0.28 CC(C)CCCC(N)=O Amb24579456 [1,0,0,0,1,0|1,0,1]=4 1382 B8R0.28 CC(C)CCCS(C)=O Amb24577266 [1,0,0,0,1,0|1,0,1]=4 1383 B8R0.28 CC(C)CNCC(C)=O Amb25067661 [1,0,0,0,1,0|1,0,0]=3 1384 B8R0.28 CC(C)CNCC(O)=O Amb19373106 [1,0,0,0,1,0|2,0,0]=4 1385 B8R0.28 CC(C)COC[C@@H](C)O Amb24423772 [1,0,0,0,1,0|0,0,2]=4 1386 B8R0.28 CC(C)CONS(C)=O Amb24551950 [1,0,0,0,1,0|2,0,0]=4 1387 B8R0.28 CC(C)CSCC(C)=C Amb24371809 [1,0,0,0,1,0|1,1,0]=4 1388 B8R0.28 CC(C)CSCC(N)=O Amb25283648 [1,0,0,0,1,0|1,1,0]=4 1389 B8R0.28 CC(C)C\C=C\C(N)=O Amb25731688 [1,0,0,0,1,0|1,0,1]=4 1390 B8R0.28 CC(C)N=CCC(C)=O Amb25198123 [1,0,0,0,1,0|1,0,0]=3 1391 B8R0.28 CC(C)NOCC(C)=C Amb24539135 [1,0,0,0,1,0|2,0,0]=4 1392 B8R0.28 CC(C)OCCC(=O)Cl Amb24423336 [1,0,0,0,1,0|1,0,1]=4 1393 B8R0.28 CC(C)OCCC(C)=O Amb22229804 [1,0,0,0,1,0|0,0,1]=3 1394 B8R0.28 CC(C)OCCC(N)=O Amb25783535 [1,0,0,0,1,0|1,0,1]=4 1395 B8R0.28 CC(C)ONCC(C)=C Amb25279062 [1,0,0,0,1,0|2,0,0]=4 1396 B8R0.28 CC(C)ONCC(O)=O Amb24690245 [1,0,0,0,1,0|2,0,0]=4 1397 B8R0.28 CC(C)O\C=C\C(O)=O Amb25731158 [1,0,0,0,1,0|1,0,1]=4 1398 B8R0.28 CC(C)\C=C\NC(C)=O Amb24761262 [1,0,0,0,1,0|1,0,1]=4 1399 B8R0.28 CC(C)\N=C\CC(C)=O Amb25773461 [1,0,0,0,1,0|1,0,0]=3 1400 B8R0.28 CC(CNCC(=C)C)C Amb17308640 [1,0,0,0,1,0|2,0,0]=4 1401 B8R0.28 CC(CNCC(=O)N)C Amb1118171 [1,0,0,0,1,0|2,0,0]=4 1402 B8R0.28 CC(COCC(=O)N)C Amb2131093 [1,0,0,0,1,0|1,0,0]=3 1403 B8R0.28 CC(COCC(N)C)C Amb13952731 [1,0,0,0,1,0|1,0,1]=4 1404 B8R0.28 CC(CSCC(=O)O)C Amb1134811 [1,0,0,0,1,0|1,1,0]=4 1405 B8R0.28 CC(Cl)CCCC(C)=O Amb25724389 [1,0,0,0,1,0|1,0,1]=4 1406 B8R0.28 CC(Cl)COCC(O)=O Amb24480258 [1,0,0,0,1,0|2,0,0]=4 1407 B8R0.28 CC(F)COCC(C)=O Amb25178543 [1,0,0,0,1,0|1,0,0]=3 1408 B8R0.28 CC(N)COCC(O)=O Amb25368702 [1,0,0,0,1,0|2,0,0]=4 1409 B8R0.28 CC(O)CCCC(C)=O Amb24340114 [1,0,0,0,1,0|1,0,1]=4 1410 B8R0.28 CC(O)CNCC(C)=O Amb24589662 [1,0,0,0,1,0|2,0,0]=4 1411 B8R0.28 C[C@@H](N)COCC(O)=O Amb24641471 [1,0,0,0,1,0|2,0,0]=4 1412 B8R0.28 C[C@H](N)COCC(O)=O Amb25305053 [1,0,0,0,1,0|2,0,0]=4 1413 B8R0.23 CC(=C)C(=O)CC(C)C Amb25222433 [0,0,0,0,2,0|1,0,0]=3 1414 B8R0.23 CC(=C)C(=O)NC(C)C Amb20621998 [0,0,0,0,2,0|2,0,0]=4 1415 B8R0.23 CC(=C)C(=O)OC(C)C Amb17934142 [0,0,0,0,2,0|1,0,0]=3 1416 B8R0.23 CC(=C)C(=O)OC(C)Cl Amb25053937 [0,0,0,0,2,0|2,0,0]=4 1417 B8R0.23 CC(=C)C(=O)OC(C)O Amb25080076 [0,0,0,0,2,0|2,0,0]=4 1418 B8R0.23 CC(=O)C(=C)CC(C)C Amb22277685 [0,0,0,0,2,0|1,0,0]=3 1419 B8R0.23 CC(=O)C(=O)CC(C)=O Amb25806867 [0,0,0,0,2,0|1,0,1]=4 1420 B8R0.23 CC(=O)C(=O)CC(C)C Amb22489717 [0,0,0,0,2,0|0,0,0]=2 1421 B8R0.23 CC(=O)C(=O)CC(C)N Amb25769599 [0,0,0,0,2,0|1,0,0]=3 1422 B8R0.23 CC(=O)C(=O)CN(C)C Amb24694256 [0,0,0,0,2,0|1,0,0]=3 1423 B8R0.23 CC(=O)C(=O)OC(C)Br Amb24358081 [0,0,0,0,2,0|1,0,0]=3 1424 B8R0.23 CC(=O)C(=O)OC(C)C Amb22232277 [0,0,0,0,2,0|0,0,0]=2 1425 B8R0.23 CC(=O)C(Cl)=NC(C)C Amb24512410 [0,0,0,0,2,0|2,0,0]=4 1426 B8R0.23 CC(=O)\C(\Cl)=N\C(C)C Amb25086712 [0,0,0,0,2,0|2,0,0]=4 1427 B8R0.23 CC(C)C(=O)OC(C)C Amb22230769 [0,0,0,0,2,0|1,0,1]=4 1428 B8R0.23 CC(C)CC(=C)C(N)=O Amb24369675 [0,0,0,0,2,0|2,0,0]=4 1429 B8R0.23 CC(C)CC(=C)C(O)=O Amb18642603 [0,0,0,0,2,0|2,0,0]=4 1430 B8R0.23 CC(C)CC(=O)C(C)N Amb18832558 [0,0,0,0,2,0|1,0,1]=4 1431 B8R0.23 CC(C)CC(=O)C(C)O Amb25808608 [0,0,0,0,2,0|0,0,2]=4 1432 B8R0.23 CC(C)CC(=O)C(N)=N Amb24459793 [0,0,0,0,2,0|2,0,0]=4 1433 B8R0.23 CC(C)CC(=O)C([O-])=O Amb21962530 [0,0,0,0,2,0|1,0,0]=3 1434 B8R0.23 CC(C)CC(=O)C([O-])=O Amb22360647 [0,0,0,0,2,0|1,0,0]=3 1435 B8R0.23 CC(C)CC(=O)[13C]([O-])=O Amb22353494 [0,0,0,0,2,0|1,0,0]=3 1436 B8R0.23 CC(C)CC(=O)[C@@H](C)O Amb25713683 [0,0,0,0,2,0|0,0,2]=4 1437 B8R0.23 CC(C)CC(C)C(C)=O Amb24640121 [0,0,0,0,2,0|1,0,1]=4 1438 B8R0.23 CC(C)CC(N)C(C)=O Amb18203220 [0,0,0,0,2,0|1,0,1]=4 1439 B8R0.23 CC(C)CC(N)C(C)=O Amb22899479 [0,0,0,0,2,0|1,0,1]=4 1440 B8R0.23 CC(C)CN(C)C(C)=O Amb24545444 [0,0,0,0,2,0|2,0,0]=4 1441 B8R0.23 CC(C)NC(=O)C(=O)Cl Amb24746768 [0,0,0,0,2,0|2,0,0]=4 1442 B8R0.23 CC(C)OC(=O)C(C)Br Amb18090825 [0,0,0,0,2,0|1,0,1]=4 1443 B8R0.23 CC(C)OC(=O)C(C)O Amb17938644 [0,0,0,0,2,0|0,0,2]=4 1444 B8R0.23 CC(C)OC(=O)C(O)=O Amb25709215 [0,0,0,0,2,0|1,0,0]=3 1445 B8R0.23 CC(C)OC(=O)N(C)C Amb19515936 [0,0,0,0,2,0|2,0,0]=4 1446 B8R0.23 CC(C)OC(=O)[C@@H](C)N Amb22748656 [0,0,0,0,2,0|1,0,1]=4 1447 B8R0.23 CC(C)OC(=O)[C@@H](C)O Amb24117117 [0,0,0,0,2,0|0,0,2]=4 1448 B8R0.23 CC(C)OC(=O)[C@H](C)N Amb19930723 [0,0,0,0,2,0|1,0,1]=4 1449 B8R0.23 CC(C)[13CH2][13C](=O)[13C]([O-])=O Amb22055839 [0,0,0,0,2,0|1,0,0]=3 1450 B8R0.23 CC(CC(=O)C(C)C)C Amb17138370 [0,0,0,0,2,0|1,0,1]=4 1451 B8R0.23 CC(CC(=O)C(Cl)C)C Amb10602042 [0,0,0,0,2,0|1,0,1]=4 1452 B8R0.23 CC(NC(=O)C(=O)C)C Amb17399820 [0,0,0,0,2,0|1,0,0]=3 1453 B8R0.23 CC(O)CC(=O)C(O)=O Amb25789747 [0,0,0,0,2,0|2,0,0]=4 1454 B8R0.23 CC(OC(=O)[C@H](N)C)C Amb16233848 [0,0,0,0,2,0|1,0,1]=4 1455 B8R0.23 C[C@@H](O)CC(=O)C(O)=O Amb25239377 [0,0,0,0,2,0|2,0,0]=4 1456 B8R0.23 C[C@H](O)CC(=O)C(O)=O Amb25859340 [0,0,0,0,2,0|2,0,0]=4 1457 B8R0.23 C[S+](C)CC(=O)C(O)=O Amb24524581 [0,0,0,0,2,0|2,0,0]=4 1458 B8R0.23 C\C(=C\C(C)C)\C(C)=O Amb25679812 [0,0,0,0,2,0|1,0,1]=4 1459 B10R0.3 CC(C)CONC(=O)CC#C Amb24754745 [1,0,0,0,0,1|0,0,2]=4 1460 B10R0.3 COCC(=O)NCCC(C)C Amb23247529 [1,0,0,0,0,1|2,0,0]=4 1461 B10R0.3 C\C=C\C(=O)NOCC(C)C Amb25381662 [1,0,0,0,0,1|0,0,1]=3 1462 B10R0.3 C\C=C\C(=O)OCCC(C)C Amb22730896 [1,0,0,0,0,1|0,0,1]=3 1463 B10R0.3 N#CCC(=O)OCCC(C)C Amb17210508 [1,0,0,0,0,1|1,0,1]=4 1464 B10R0.97 CC(C)\C=C\C=CCC(C)=O Amb24764998 [1,0,0,0,0,1|1,0,1]=4 1465 B12R0.44 CC(CCNC(=O)CCC(=O)C)C Amb17335770 [0,0,0,0,0,2|1,0,0]=3 1466 B12R0.44 CC(CCNC(=O)CCC(=O)O)C Amb1803348 [0,0,0,0,0,2|2,0,0]=4 1467 B12R0.44 CN(CCNC(=O)CCC(=O)C)C Amb17335848 [0,0,0,0,0,2|2,0,0]=4