0 B10R0.97 C=C(Br)CCCCCC(=O)O Amb6299586 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.97 C=C(C)CCCCCC(=O)O Amb6299589 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.97 C=C(Cl)CCCCCC(=O)O Amb6299582 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.97 C=C(F)CCCCCC(=O)O Amb22641493 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.97 CC(=O)CCCCCC(=O)O Amb3939939 [0,0,0,0,0,0|2,0,0]=2 5 B10R0.97 CC(=O)NCCCCC(=O)O Amb22330473 [0,0,0,0,0,0|3,0,0]=3 6 B10R0.97 CC(=O)NCCOCC(=O)O Amb24271178 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.97 CC(=O)NCSCCC(=O)O Amb3941448 [0,0,0,0,0,0|2,0,0]=2 8 B10R0.97 CC(=O)SCC#CCC(=O)O Amb27650559 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.97 CC(C)CCCCCC(=O)O Amb16232096 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.97 CC(C)CCNCCC(=O)O Amb1110986 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.97 CC(O)CCCCCC(=O)O Amb24117232 [0,0,0,0,0,0|2,0,1]=3 12 B10R0.97 CN(C)CCCCCC(=O)O Amb31307243 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.97 CN(C)CCCCCC(=O)O Amb32410704 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.97 CN(C)CCNCCC(=O)O Amb7755723 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.97 CN(C)CCOCCC(=O)O Amb33483275 [0,0,0,0,0,0|3,1,0]=4 16 B10R0.97 CN(C)CCOCCC(=O)O Amb33607443 [0,0,0,0,0,0|3,1,0]=4 17 B10R0.97 C[C@H](O)CC#CCCC(=O)O Amb27241370 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.97 N=C(N)NCCCCC(=O)O Amb23523074 [0,0,0,0,0,0|4,0,0]=4 19 B10R0.97 NC(=O)CCSCCC(N)=O Amb2724673 [0,0,0,0,0,0|2,0,0]=2 20 B10R0.97 NC(=O)NCCCCC(=O)O Amb1154252 [0,0,0,0,0,0|3,0,0]=3 21 B10R0.97 O=C(Cl)CCCCCC(=O)Cl Amb13777316 [0,0,0,0,0,0|3,0,0]=3 22 B10R0.97 O=C(O)CCCCCB(O)O Amb32661475 [0,0,0,0,0,0|2,0,1]=3 23 B10R0.97 O=C(O)CCCCCC(=O)O Amb2720869 [0,0,0,0,0,0|1,0,0]=1 24 B10R0.97 O=C(O)CCCSCC(=O)O Amb17501146 [0,0,0,0,0,0|2,0,0]=2 25 B10R0.97 O=C(O)CCNCCC(=O)O Amb2694954 [0,0,0,0,0,0|1,0,0]=1 26 B10R0.97 O=C(O)CCOCCC(=O)O Amb24057717 [0,0,0,0,0,0|0,1,0]=1 27 B10R0.97 O=C(O)CCSCCC(=O)O Amb4138554 [0,0,0,0,0,0|0,0,0]=0 28 B10R0.97 O=C(O)CSCSCC(=O)O Amb1144944 [0,0,0,0,0,0|3,0,0]=3 29 B10R0.97 O=C(O)\C=C\C=C\CC(=O)O Amb27990006 [0,0,0,0,0,0|1,0,3]=4 30 B9R0.2 C#CCCCCCC(=O)O Amb22232010 [1,0,0,0,0,0|2,0,1]=4 31 B9R0.2 C#CCCNCCC(=O)O Amb9326411 [1,0,0,0,0,0|2,0,1]=4 32 B9R0.2 C#CCCOCCC(=O)O Amb27406242 [1,0,0,0,0,0|1,1,1]=4 33 B9R0.2 C#CCCSCCC(N)=O Amb27846787 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.2 C=CCCCCCC(=O)O Amb6299579 [1,0,0,0,0,0|2,0,0]=3 35 B9R0.2 C=CCCCCCC(C)=O Amb33544200 [1,0,0,0,0,0|3,0,0]=4 36 B9R0.2 C=CCCCNCC(=O)O Amb28119977 [1,0,0,0,0,0|3,0,0]=4 37 B9R0.2 C=CCCCOCC(=O)O Amb27217276 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.2 C=CCCCSCC(=O)O Amb27838988 [1,0,0,0,0,0|3,0,0]=4 39 B9R0.2 C=CCCNCCC(=O)O Amb27839020 [1,0,0,0,0,0|2,0,0]=3 40 B9R0.2 C=CCCOCCC(N)=O Amb27394496 [1,0,0,0,0,0|2,1,0]=4 41 B9R0.2 C=CCCSCCC(=O)O Amb28201215 [1,0,0,0,0,0|1,0,0]=2 42 B9R0.2 C=CCC\C=C\CC(=O)O Amb18643551 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.2 C=CCOCCCC(=O)O Amb33531507 [1,0,0,0,0,0|3,0,0]=4 44 B9R0.2 C=CCSCCCC(=O)O Amb27392354 [1,0,0,0,0,0|3,0,0]=4 45 B9R0.2 C=CC\C=C\CCC(=O)O Amb18643540 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.2 CC(=O)CNCCCC=O Amb24664343 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.2 CC(=O)NCCCCC=O Amb24524516 [1,0,0,0,0,0|3,0,0]=4 48 B9R0.2 CC(=O)OCCCCC=O Amb26505388 [1,0,0,0,0,0|3,0,0]=4 49 B9R0.2 CC(=O)SCCCCC=O Amb27432569 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.2 CC(C)CCSCCC=O Amb27589044 [1,0,0,0,0,0|2,0,1]=4 51 B9R0.2 CCCCCCCC(=O)O Amb3940371 [1,0,0,0,0,0|2,0,1]=4 52 B9R0.2 CCCCNCCC(=O)O Amb7755713 [1,0,0,0,0,0|2,0,1]=4 53 B9R0.2 CCCCSCCC(=O)O Amb1032992 [1,0,0,0,0,0|1,0,1]=3 54 B9R0.2 CCOCSCCC(=O)O Amb27447358 [1,0,0,0,0,0|2,0,1]=4 55 B9R0.2 CN(C)CCSCCC=O Amb27837824 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.2 CNCCOCCC(=O)O Amb18111840 [1,0,0,0,0,0|2,1,0]=4 57 B9R0.2 CNCCSCCC(=O)O Amb27442544 [1,0,0,0,0,0|2,0,0]=3 58 B9R0.2 COCCCCCC(=O)O Amb10607872 [1,0,0,0,0,0|3,0,0]=4 59 B9R0.2 COCCNCCC(=O)O Amb33527038 [1,0,0,0,0,0|3,0,0]=4 60 B9R0.2 COCCNCCC(=O)O Amb7755691 [1,0,0,0,0,0|3,0,0]=4 61 B9R0.2 COCCOCCC(=O)O Amb6268336 [1,0,0,0,0,0|2,1,0]=4 62 B9R0.2 CSCCCCCC(=O)O Amb27444761 [1,0,0,0,0,0|3,0,0]=4 63 B9R0.2 CSCCNCCC(=O)O Amb25055507 [1,0,0,0,0,0|3,0,0]=4 64 B9R0.2 C[NH2+]CCCCCC(=O)O Amb9791271 [1,0,0,0,0,0|3,0,0]=4 65 B9R0.2 C\C=C\CCCCC(=O)O Amb18643887 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.2 N#CCCCCCC(=O)O Amb18643705 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.2 N#CCCNCCC(=O)O Amb17315318 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.2 N#CCCSCCC(=O)O Amb18927741 [1,0,0,0,0,0|1,0,1]=3 69 B9R0.2 N#CCCSCCC(N)=O Amb27655950 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.2 N=C(N)CCSCCCO Amb28349035 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.2 NC(=O)CCCCNC=O Amb27232578 [1,0,0,0,0,0|3,0,0]=4 72 B9R0.2 NC(=O)CCNCCCO Amb19959936 [1,0,0,0,0,0|2,0,1]=4 73 B9R0.2 NC(=O)CCNCCCO Amb9243308 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.2 NC(=O)CCSCCCCl Amb27217057 [1,0,0,0,0,0|2,0,1]=4 75 B9R0.2 NC(=O)CCSCCCF Amb27756832 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.2 NC(=O)CCSCCCO Amb27615089 [1,0,0,0,0,0|1,0,1]=3 77 B9R0.2 NC(=O)CCSCCCS Amb27779781 [1,0,0,0,0,0|1,1,1]=4 78 B9R0.2 NCCCCCCC(=O)O Amb1151254 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.2 NCCCCCCC(=O)O Amb16232099 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.2 NCCCNCCC(=O)O Amb27959846 [1,0,0,0,0,0|2,0,1]=4 81 B9R0.2 NCCCOCCC(=O)O Amb18111494 [1,0,0,0,0,0|1,1,1]=4 82 B9R0.2 NCCCSCCC(=O)O Amb24496605 [1,0,0,0,0,0|1,0,1]=3 83 B9R0.2 NCCCSCCC(N)=O Amb28077685 [1,0,0,0,0,0|2,0,1]=4 84 B9R0.2 NCCSSCCC(=O)O Amb17608062 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.2 NOCCCCCC(=O)O Amb32708458 [1,0,0,0,0,0|3,0,0]=4 86 B9R0.2 NOCCSCCC(N)=O Amb27475291 [1,0,0,0,0,0|3,0,0]=4 87 B9R0.2 O=C(O)CCCCCCBr Amb10071514 [1,0,0,0,0,0|2,0,1]=4 88 B9R0.2 O=C(O)CCCCCCCl Amb17594087 [1,0,0,0,0,0|2,0,1]=4 89 B9R0.2 O=C(O)CCCCCCF Amb25132501 [1,0,0,0,0,0|2,0,1]=4 90 B9R0.2 O=C(O)CCCCCCO Amb9787028 [1,0,0,0,0,0|1,0,1]=3 91 B9R0.2 O=C(O)CCCCCCS Amb24710334 [1,0,0,0,0,0|1,1,1]=4 92 B9R0.2 O=C(O)CCCCCNBr Amb28054088 [1,0,0,0,0,0|3,0,0]=4 93 B9R0.2 O=C(O)CCCC\C=C\Br Amb26542054 [1,0,0,0,0,0|2,0,1]=4 94 B9R0.2 O=C(O)CCCNCCO Amb9333522 [1,0,0,0,0,0|2,0,1]=4 95 B9R0.2 O=C(O)CCCOCCO Amb6680919 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.2 O=C(O)CCCSCCO Amb9481728 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.2 O=C(O)CCNCCCF Amb28049536 [1,0,0,0,0,0|2,0,1]=4 98 B9R0.2 O=C(O)CCNCCCO Amb9239888 [1,0,0,0,0,0|1,0,1]=3 99 B9R0.2 O=C(O)CCNC\C=C\Cl Amb9326418 [1,0,0,0,0,0|2,0,1]=4 100 B9R0.2 O=C(O)CCOCCCO Amb24476864 [1,0,0,0,0,0|0,1,1]=3 101 B9R0.2 O=C(O)CCSCCCCl Amb26421708 [1,0,0,0,0,0|1,0,1]=3 102 B9R0.2 O=C(O)CCSCCCF Amb27251653 [1,0,0,0,0,0|1,0,1]=3 103 B9R0.2 O=C(O)CCSSCCO Amb17615366 [1,0,0,0,0,0|1,0,1]=3 104 B9R0.2 O=C(O)CNCCCCO Amb28063278 [1,0,0,0,0,0|2,0,1]=4 105 B9R0.2 O=C(O)COCCCCO Amb27465121 [1,0,0,0,0,0|2,0,1]=4 106 B9R0.2 O=C=NCCCCC(=O)O Amb24505309 [1,0,0,0,0,0|2,0,1]=4 107 B9R0.2 O=CCCCCCC(=O)O Amb26548890 [1,0,0,0,0,0|1,0,0]=2 108 B9R0.2 O=CNCCSCC(=O)O Amb28399802 [1,0,0,0,0,0|3,0,0]=4 109 B9R0.2 O=COC\C=C\CC(=O)O Amb27619648 [1,0,0,0,0,0|2,0,1]=4 110 B11R0.29 CC(=O)C(C)CCCCC(=O)O Amb20668227 [0,1,0,0,0,0|2,0,0]=3 111 B11R0.29 CC(=O)CCCCC(N)C(=O)O Amb33065945 [0,1,0,0,0,0|2,0,0]=3 112 B11R0.29 CC(=O)CCCCC(N)C(N)=O Amb33308578 [0,1,0,0,0,0|3,0,0]=4 113 B11R0.29 CC(=O)CCCC[C@@H](N)C(=O)O Amb33066091 [0,1,0,0,0,0|2,0,0]=3 114 B11R0.29 CC(=O)CCCC[C@H](N)C(=O)O Amb33037049 [0,1,0,0,0,0|2,0,0]=3 115 B11R0.29 CC(=O)CCSCC(=O)C(=O)O Amb33069924 [0,1,0,0,0,0|1,0,1]=3 116 B11R0.29 CC(=O)N(C)CCCCC(=O)O Amb32683389 [0,1,0,0,0,0|3,0,0]=4 117 B11R0.29 CC(=O)NCSCC(N)C(=O)O Amb30623754 [0,1,0,0,0,0|2,0,0]=3 118 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O Amb22745261 [0,1,0,0,0,0|2,0,0]=3 119 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O Amb23438964 [0,1,0,0,0,0|2,0,0]=3 120 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O Amb22349445 [0,1,0,0,0,0|2,0,0]=3 121 B11R0.29 CC(C)=CCSCC(N)C(=O)O Amb9726238 [0,1,0,0,0,0|2,0,1]=4 122 B11R0.29 CC(C)=CCSC[C@H](N)C(=O)O Amb30584848 [0,1,0,0,0,0|2,0,1]=4 123 B11R0.29 CC(O)CCSCC(=O)C(=O)O Amb33069719 [0,1,0,0,0,0|1,0,2]=4 124 B11R0.29 CC(SCCCC(=O)O)C(=O)O Amb17503620 [0,1,0,0,0,0|2,0,0]=3 125 B11R0.29 N=C(N)CCSCC(=O)C(=O)O Amb33069781 [0,1,0,0,0,0|2,0,1]=4 126 B11R0.29 NC(=O)CCSCC(=O)C(=O)O Amb33069777 [0,1,0,0,0,0|1,0,1]=3 127 B11R0.29 NC(=O)NCCCC(N)C(=O)O Amb3499394 [0,1,0,0,0,0|3,0,0]=4 128 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Amb8629519 [0,1,0,0,0,0|3,0,0]=4 129 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb22169596 [0,1,0,0,0,0|3,0,0]=4 130 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb2718751 [0,1,0,0,0,0|3,0,0]=4 131 B11R0.29 NC(CCCCC(=O)O)C(=O)O Amb2760482 [0,1,0,0,0,0|1,0,0]=2 132 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb32660941 [0,1,0,0,0,0|2,0,0]=3 133 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb33552542 [0,1,0,0,0,0|2,0,0]=3 134 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb32686887 [0,1,0,0,0,0|1,0,2]=4 135 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb33470155 [0,1,0,0,0,0|1,0,2]=4 136 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O Amb22746360 [0,1,0,0,0,0|1,0,0]=2 137 B11R0.29 O=C(O)CCCCC(=O)C(=O)O Amb33470212 [0,1,0,0,0,0|1,0,1]=3 138 B11R0.29 O=C(O)CCSCC(=O)C(=O)O Amb33069682 [0,1,0,0,0,0|0,0,1]=2 139 B11R0.29 O=C(O)\C=C\SCC(=O)C(=O)O Amb33069699 [0,1,0,0,0,0|0,0,3]=4 140 B11R0.31 NS(=O)(=O)CCCCCC(=O)O Amb28653063 [0,1,0,0,0,0|2,0,1]=4 141 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb16187108 [0,1,0,0,0,0|1,0,0]=2 142 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb24117217 [0,1,0,0,0,0|1,0,0]=2 143 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb32664379 [0,1,0,0,0,0|1,0,0]=2 144 B11R0.85 NC(CCC(=O)O)CCC(=O)O Amb33473618 [0,1,0,0,0,0|1,0,0]=2 145 B11R0.85 O=C(O)CCC(=O)CCC(=O)O Amb6296610 [0,1,0,0,0,0|1,0,0]=2 146 B11R0.85 O=C(O)CCC(=O)CC[N+](=O)[O-] Amb9782877 [0,1,0,0,0,0|2,0,1]=4 147 B11R0.85 O=C(O)CCC(=O)NCC(=O)O Amb17940408 [0,1,0,0,0,0|2,0,0]=3 148 B11R0.85 O=C(O)CCS(=O)CCC(=O)O Amb4086179 [0,1,0,0,0,0|0,0,1]=2 149 B11R0.85 O=C(O)CSC(=S)SCC(=O)O Amb2613075 [0,1,0,0,0,0|3,0,0]=4 150 B11R0.111 CCC(=O)CCCCCC(=O)O Amb6305228 [0,1,0,0,0,0|2,0,0]=3 151 B11R0.111 COC(=O)CCCCCC(=O)O Amb13887311 [0,1,0,0,0,0|1,0,0]=2 152 B11R0.111 COC(=O)CCCCCC(=O)[O-] Amb34915140 [0,1,0,0,0,0|1,0,1]=3 153 B11R0.111 COC(=O)CCCCCS(=O)Cl Amb32720463 [0,1,0,0,0,0|3,0,0]=4 154 B11R0.111 COC(=O)CCCCCS(=O)[O-] Amb32754397 [0,1,0,0,0,0|2,0,1]=4 155 B11R0.111 COC(=O)CCCCCS(N)=O Amb32720464 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.75 C=C1CCN(CCC(=O)O)C1 Amb30028136 [0,0,0,1,0,0|3,0,0]=4 157 B11R1.75 CC(=O)CCC1CCC(=O)C1 Amb25984891 [0,0,0,1,0,0|3,0,0]=4 158 B11R1.75 CC(=O)CCC1CCC(=O)N1 Amb27438091 [0,0,0,1,0,0|3,0,0]=4 159 B11R1.75 CC(=O)CCC1CCC(=O)O1 Amb27750716 [0,0,0,1,0,0|2,0,0]=3 160 B11R1.75 CC(O)CCC1CCC(=O)O1 Amb27484707 [0,0,0,1,0,0|2,0,1]=4 161 B11R1.75 CC1CCC(CCC(=O)O)O1 Amb20623187 [0,0,0,1,0,0|2,0,1]=4 162 B11R1.75 C[C@@H]1CCC(CCC(=O)O)O1 Amb33423436 [0,0,0,1,0,0|2,0,1]=4 163 B11R1.75 C[C@H]1CC[C@@H](CCC(=O)O)O1 Amb27637655 [0,0,0,1,0,0|2,0,1]=4 164 B11R1.75 O=C(O)CCC1CCC(=O)N1 Amb551261 [0,0,0,1,0,0|2,0,0]=3 165 B11R1.75 O=C(O)CCC1CCC(=O)O1 Amb18126095 [0,0,0,1,0,0|1,0,0]=2 166 B11R1.75 O=C(O)CCC1CNC(=O)N1 Amb27955291 [0,0,0,1,0,0|3,0,0]=4 167 B11R1.75 O=C(O)CCC1COC(=O)N1 Amb24358987 [0,0,0,1,0,0|3,0,0]=4 168 B11R1.75 O=C(O)CCC1NC(=O)CS1 Amb27758647 [0,0,0,1,0,0|3,0,0]=4 169 B11R1.75 O=C(O)CCN1CC[C@H](O)C1 Amb28287639 [0,0,0,1,0,0|2,0,1]=4 170 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)N1 Amb27622656 [0,0,0,1,0,0|2,0,0]=3 171 B11R1.75 O=C(O)CC[C@H]1CCC(=O)N1 Amb27627802 [0,0,0,1,0,0|2,0,0]=3 172 B11R1.75 O=C(O)CC[C@H]1COC(=O)C1 Amb28123271 [0,0,0,1,0,0|3,0,0]=4 173 B11R1.75 O=C(O)CSC1CCC(=O)N1 Amb2428430 [0,0,0,1,0,0|3,0,0]=4 174 B11R1.154 O=C(O)CCCC1CC(=O)N1 Amb27988472 [0,0,0,1,0,0|2,0,0]=3 175 B11R1.154 O=C(O)CCNC1CC(O)C1 Amb27269322 [0,0,0,1,0,0|2,0,1]=4 176 B11R1.154 O=C(O)CCSC1CC(=O)N1 Amb27990259 [0,0,0,1,0,0|1,0,0]=2 177 B11R1.154 O=C(O)\C=C\SC1CC(=O)N1 Amb27863588 [0,0,0,1,0,0|1,0,2]=4 178 B11R1.157 CC(=O)CC1CCCC(=O)N1 Amb24634713 [0,0,0,1,0,0|3,0,0]=4 179 B11R1.157 CC(O)CC1CCCC(=O)O1 Amb28065238 [0,0,0,1,0,0|2,0,1]=4 180 B11R1.157 CC1=C[C@H](CC(=O)O)CCC1 Amb27823732 [0,0,0,1,0,0|3,0,0]=4 181 B11R1.157 CC1CCCC(CC(=O)O)O1 Amb18126127 [0,0,0,1,0,0|2,0,1]=4 182 B11R1.157 C[C@@H](O)C[C@H]1CCCC(=O)O1 Amb27213971 [0,0,0,1,0,0|2,0,1]=4 183 B11R1.157 C[C@@H]1CCC[C@H](CC(=O)O)O1 Amb27657703 [0,0,0,1,0,0|2,0,1]=4 184 B11R1.157 C[C@H](O)C[C@@H]1CCCC(=O)O1 Amb27218939 [0,0,0,1,0,0|2,0,1]=4 185 B11R1.157 NC(=O)CC1CCCC(=O)N1 Amb19515424 [0,0,0,1,0,0|3,0,0]=4 186 B11R1.157 O=C(O)CC1C=C(Cl)CCC1 Amb27407075 [0,0,0,1,0,0|3,0,0]=4 187 B11R1.157 O=C(O)CC1CCCC(=O)C1 Amb8487121 [0,0,0,1,0,0|2,0,0]=3 188 B11R1.157 O=C(O)CC1CCCC(=O)N1 Amb18200018 [0,0,0,1,0,0|2,0,0]=3 189 B11R1.157 O=C(O)CC1CCCC(O)C1 Amb18645020 [0,0,0,1,0,0|2,0,1]=4 190 B11R1.157 O=C(O)CC1CCNC(=O)C1 Amb18200020 [0,0,0,1,0,0|3,0,0]=4 191 B11R1.157 O=C(O)CC1CNCC(=O)N1 Amb25800398 [0,0,0,1,0,0|3,0,0]=4 192 B11R1.157 O=C(O)CN1CCCC(=O)C1 Amb18200026 [0,0,0,1,0,0|3,0,0]=4 193 B11R1.157 O=C(O)C[C@@H]1CCCC(=O)N1 Amb27397390 [0,0,0,1,0,0|2,0,0]=3 194 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 Amb28289879 [0,0,0,1,0,0|2,0,0]=3 195 B11R1.157 O=C(O)C[C@H]1CCCC(=O)N1 Amb27983727 [0,0,0,1,0,0|2,0,0]=3 196 B11R1.177 CC(=O)[C@@H]1CSCC[C@@]1(C)O Amb28253617 [0,0,0,1,0,0|2,0,1]=4 197 B11R1.177 C[C@@]1(O)CCCC[C@H]1C(=O)O Amb35664180 [0,0,0,1,0,0|2,0,1]=4 198 B11R1.177 O=C(O)C1CCCCS1(=O)=O Amb20669083 [0,0,0,1,0,0|2,0,1]=4 199 B11R1.178 CC(=O)C1CCCC1C(=O)O Amb28120981 [0,0,0,1,0,0|2,0,0]=3 200 B11R1.178 CC(=O)C1CCCC1C(C)=O Amb25792934 [0,0,0,1,0,0|3,0,0]=4 201 B11R1.178 CC(=O)C1CNCC1C(=O)O Amb2694843 [0,0,0,1,0,0|2,0,0]=3 202 B11R1.178 CC(=O)N1CCCC1C(=O)O Amb9745654 [0,0,0,1,0,0|3,0,0]=4 203 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Amb10072246 [0,0,0,1,0,0|3,0,0]=4 204 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Amb1154281 [0,0,0,1,0,0|3,0,0]=4 205 B11R1.178 CC(=O)N1COCC1C(=O)O Amb27237614 [0,0,0,1,0,0|2,1,0]=4 206 B11R1.178 CC(=O)N1CSCC1C(=O)O Amb9723702 [0,0,0,1,0,0|2,0,0]=3 207 B11R1.178 CC(=O)N1CSCC1C(N)=O Amb27662068 [0,0,0,1,0,0|3,0,0]=4 208 B11R1.178 CC(=O)N1CSC[C@@H]1C(=O)O Amb18795582 [0,0,0,1,0,0|2,0,0]=3 209 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O Amb17608078 [0,0,0,1,0,0|2,0,0]=3 210 B11R1.178 CC(=O)[C@@H]1CCC[C@H]1C(C)=O Amb25270242 [0,0,0,1,0,0|3,0,0]=4 211 B11R1.178 CS(=O)N1CSCC1C(=O)O Amb27220675 [0,0,0,1,0,0|3,0,0]=4 212 B11R1.178 NC(=O)C1CCCC1C(=O)O Amb25714211 [0,0,0,1,0,0|2,0,0]=3 213 B11R1.178 NC(=O)C1CCCC1C(N)=O Amb4418382 [0,0,0,1,0,0|3,0,0]=4 214 B11R1.178 NC(=O)C1CNCC1C(N)=O Amb28723640 [0,0,0,1,0,0|3,0,0]=4 215 B11R1.178 NC(=O)C1OCCC1C(=O)O Amb35649185 [0,0,0,1,0,0|3,0,0]=4 216 B11R1.178 NC(=O)N1CCCC1C(=O)O Amb9745667 [0,0,0,1,0,0|3,0,0]=4 217 B11R1.178 NC(=O)N1CCC[C@@H]1C(=O)O Amb18787750 [0,0,0,1,0,0|3,0,0]=4 218 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Amb6893269 [0,0,0,1,0,0|3,0,0]=4 219 B11R1.178 NC(=O)N1CSCC1C(=O)O Amb6263476 [0,0,0,1,0,0|2,0,0]=3 220 B11R1.178 NC(=O)[C@@H]1CCC[C@H]1C(N)=O Amb25218558 [0,0,0,1,0,0|3,0,0]=4 221 B11R1.178 NC(=O)[C@H]1CCC[C@H]1C(=O)O Amb28142020 [0,0,0,1,0,0|2,0,0]=3 222 B11R1.178 NC(=O)[C@H]1CNC[C@@H]1C(=O)O Amb28435442 [0,0,0,1,0,0|2,0,0]=3 223 B11R1.178 O=C(O)C1=C(C(=O)O)CCC1 Amb4007521 [0,0,0,1,0,0|1,0,2]=4 224 B11R1.178 O=C(O)C1=C(C(=O)O)CNC1 Amb27760780 [0,0,0,1,0,0|1,0,2]=4 225 B11R1.178 O=C(O)C1=C(C(=O)O)COC1 Amb22356371 [0,0,0,1,0,0|0,1,2]=4 226 B11R1.178 O=C(O)C1=C(C(=O)O)CSC1 Amb18647803 [0,0,0,1,0,0|0,0,2]=3 227 B11R1.178 O=C(O)C1=NNCC1C(=O)O Amb28343196 [0,0,0,1,0,0|2,0,1]=4 228 B11R1.178 O=C(O)C1C=CCC1C(=O)O Amb28365373 [0,0,0,1,0,0|1,0,1]=3 229 B11R1.178 O=C(O)C1CCCC1C(=O)Cl Amb27876458 [0,0,0,1,0,0|2,0,0]=3 230 B11R1.178 O=C(O)C1CCCC1C(=O)O Amb2732979 [0,0,0,1,0,0|1,0,0]=2 231 B11R1.178 O=C(O)C1CCCC1[N+](=O)[O-] Amb27211214 [0,0,0,1,0,0|2,0,1]=4 232 B11R1.178 O=C(O)C1CCCN1C(=O)O Amb24060622 [0,0,0,1,0,0|2,0,0]=3 233 B11R1.178 O=C(O)C1CCNC1C(=O)O Amb22741053 [0,0,0,1,0,0|2,0,0]=3 234 B11R1.178 O=C(O)C1CNCC1C(=O)O Amb22495455 [0,0,0,1,0,0|1,0,0]=2 235 B11R1.178 O=C(O)C1CNCC1C(=O)O Amb32666021 [0,0,0,1,0,0|1,0,0]=2 236 B11R1.178 O=C(O)C1CNCC1C(O)O Amb28281392 [0,0,0,1,0,0|1,0,2]=4 237 B11R1.178 O=C(O)C1COCC1C(=O)O Amb23571987 [0,0,0,1,0,0|0,1,0]=2 238 B11R1.178 O=C(O)C1SCSC1C(=O)O Amb27408556 [0,0,0,1,0,0|3,0,0]=4 239 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)Cl Amb24407327 [0,0,0,1,0,0|3,0,0]=4 240 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O Amb6299712 [0,0,0,1,0,0|1,0,0]=2 241 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O Amb2695693 [0,0,0,1,0,0|1,0,0]=2 242 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Amb25200351 [0,0,0,1,0,0|1,0,0]=2 243 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Amb32664021 [0,0,0,1,0,0|1,0,0]=2 244 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O Amb26847108 [0,0,0,1,0,0|0,1,0]=2 245 B11R1.178 O=C(O)[C@@H]1CSC[C@H]1C(=O)O Amb28193749 [0,0,0,1,0,0|0,0,0]=1 246 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O Amb13890829 [0,0,0,1,0,0|1,0,0]=2 247 B11R1.178 O=C(O)[C@H]1CCN[C@@H]1C(=O)O Amb27422064 [0,0,0,1,0,0|2,0,0]=3 248 B11R1.178 O=C(O)[C@H]1CCN[C@H]1C(=O)O Amb27791852 [0,0,0,1,0,0|2,0,0]=3 249 B11R1.178 O=C(O)[C@H]1CNC[C@@H]1C(=O)O Amb25945306 [0,0,0,1,0,0|1,0,0]=2 250 B11R1.178 O=C(O)[C@H]1CNC[C@@H]1C(=O)O Amb28664288 [0,0,0,1,0,0|1,0,0]=2 251 B11R1.234 CC1(C)CCSC1CC(=O)O Amb28396658 [0,0,0,1,0,0|2,0,1]=4 252 B11R1.234 O=C(O)CC1CCCS1(=O)=O Amb24703496 [0,0,0,1,0,0|2,0,1]=4 253 B11R1.497 CC(=O)C1CCCCC(=O)N1 Amb27873410 [0,0,0,1,0,0|3,0,0]=4 254 B11R1.497 NC(=O)C1CCCCC(=O)N1 Amb26852005 [0,0,0,1,0,0|3,0,0]=4 255 B11R1.497 NC(=O)C1CSCCC(=O)N1 Amb21943337 [0,0,0,1,0,0|2,0,0]=3 256 B11R1.497 O=C1CCCCC(C(=O)O)C1 Amb10603800 [0,0,0,1,0,0|2,0,0]=3 257 B11R1.497 O=C1CCCCC(C(=O)O)N1 Amb19515429 [0,0,0,1,0,0|2,0,0]=3 258 B11R1.497 O=C1CCOCC(C(=O)O)C1 Amb27414004 [0,0,0,1,0,0|1,1,0]=3 259 B11R1.497 O=C1CCOC[C@H](C(=O)O)N1 Amb27483038 [0,0,0,1,0,0|1,1,0]=3 260 B11R1.497 O=C1CCSCC(C(=O)O)N1 Amb21937059 [0,0,0,1,0,0|1,0,0]=2 261 B11R1.497 O=C1CCSCC(C(O)O)N1 Amb27646488 [0,0,0,1,0,0|1,0,2]=4 262 B11R1.497 O=C1NCCCC(C(=O)O)N1 Amb27657613 [0,0,0,1,0,0|3,0,0]=4 263 B11R1.497 O=C1NCCC[C@H](C(=O)O)N1 Amb27803711 [0,0,0,1,0,0|3,0,0]=4 264 B11R1.708 CC(=O)C1CCC1CC(=O)O Amb25918239 [0,0,0,1,0,0|2,0,0]=3 265 B11R1.708 CC(=O)SC1CCC1C(=O)O Amb27201581 [0,0,0,1,0,0|3,0,0]=4 266 B11R1.708 NC(=O)C1CCN1CC(=O)O Amb33251341 [0,0,0,1,0,0|3,0,0]=4 267 B11R1.708 O=C(O)CC1CNC1C(=O)O Amb28384932 [0,0,0,1,0,0|2,0,0]=3 268 B11R1.708 O=C(O)C[C@@H]1CN[C@H]1C(=O)O Amb19131121 [0,0,0,1,0,0|2,0,0]=3 269 B11R1.708 O=C(O)C[C@H]1CN[C@H]1C(=O)O Amb27863455 [0,0,0,1,0,0|2,0,0]=3 270 B11R1.711 CC(=O)C1CC1CCC(=O)O Amb27990217 [0,0,0,1,0,0|2,0,0]=3 271 B11R1.711 CC(=O)CCC1CC1C(=O)O Amb25384585 [0,0,0,1,0,0|2,0,0]=3 272 B11R1.711 CC(=O)CC[C@@H]1C[C@@H]1C(=O)O Amb25384133 [0,0,0,1,0,0|2,0,0]=3 273 B11R1.711 CC(=O)CC[C@H]1C[C@H]1C(=O)O Amb25383057 [0,0,0,1,0,0|2,0,0]=3 274 B11R1.711 CC(=O)NCC1CC1C(=O)O Amb27872119 [0,0,0,1,0,0|3,0,0]=4 275 B11R1.711 CC(=O)NC[C@@H]1C[C@@H]1C(=O)O Amb28244758 [0,0,0,1,0,0|3,0,0]=4 276 B11R1.711 CC(=O)OC[C@@H]1C[C@H]1C(=O)O Amb26659372 [0,0,0,1,0,0|3,0,0]=4 277 B11R1.740 O=C(O)CC1CC1CC(=O)O Amb4015364 [0,0,0,1,0,0|1,0,0]=2 278 B9R0.55 C=C(Br)CCCCC(N)=O Amb27449194 [0,0,0,0,1,0|3,0,0]=4 279 B9R0.55 C=C(C)CCSCC(C)=O Amb27469207 [0,0,0,0,1,0|3,0,0]=4 280 B9R0.55 C=C(C)COCCC(=O)O Amb27882463 [0,0,0,0,1,0|2,1,0]=4 281 B9R0.55 C=C(Cl)CNCCC(=O)O Amb9326413 [0,0,0,0,1,0|3,0,0]=4 282 B9R0.55 C=C(F)CCCCC(=O)O Amb27949889 [0,0,0,0,1,0|2,0,0]=3 283 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [0,0,0,0,1,0|1,0,0]=2 284 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [0,0,0,0,1,0|2,0,0]=3 285 B9R0.55 CC(=O)CCCCC(C)O Amb27838002 [0,0,0,0,1,0|2,0,1]=4 286 B9R0.55 CC(=O)CCCCS(C)=O Amb27412643 [0,0,0,0,1,0|3,0,0]=4 287 B9R0.55 CC(=O)CCCNC(C)=O Amb28194645 [0,0,0,0,1,0|3,0,0]=4 288 B9R0.55 CC(=O)CCCOC(C)=O Amb1033031 [0,0,0,0,1,0|3,0,0]=4 289 B9R0.55 CC(=O)CCNCC(=O)O Amb32675828 [0,0,0,0,1,0|2,0,0]=3 290 B9R0.55 CC(=O)CCOCC(=O)O Amb27241199 [0,0,0,0,1,0|1,1,0]=3 291 B9R0.55 CC(=O)CCSCC(=O)O Amb24443138 [0,0,0,0,1,0|1,0,0]=2 292 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,1,0|1,0,2]=4 293 B9R0.55 CC(=O)CSCCC(N)=S Amb17503258 [0,0,0,0,1,0|2,1,0]=4 294 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [0,0,0,0,1,0|2,0,0]=3 295 B9R0.55 CC(=O)NOCCC(=O)O Amb27252126 [0,0,0,0,1,0|2,1,0]=4 296 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [0,0,0,0,1,0|2,0,0]=3 297 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [0,0,0,0,1,0|2,0,0]=3 298 B9R0.55 CC(C)CCCCC(=O)O Amb10576144 [0,0,0,0,1,0|2,0,1]=4 299 B9R0.55 CC(C)CCSCC(=O)O Amb1137397 [0,0,0,0,1,0|2,0,1]=4 300 B9R0.55 CC(C)CSCCC(=O)O Amb6278798 [0,0,0,0,1,0|2,0,1]=4 301 B9R0.55 CC(F)CCSCC(=O)O Amb27777659 [0,0,0,0,1,0|2,0,1]=4 302 B9R0.55 CC(N)CCCCC(=O)O Amb18644199 [0,0,0,0,1,0|2,0,1]=4 303 B9R0.55 CC(N)CCCCC(=O)O Amb19515386 [0,0,0,0,1,0|2,0,1]=4 304 B9R0.55 CC(N)CCSCC(=O)O Amb27436369 [0,0,0,0,1,0|2,0,1]=4 305 B9R0.55 CC(O)CSCCC(=O)O Amb18792572 [0,0,0,0,1,0|1,0,1]=3 306 B9R0.55 CC(O)CSCCC(N)=O Amb27976132 [0,0,0,0,1,0|2,0,1]=4 307 B9R0.55 CN(C)CCCCC(=O)O Amb19275569 [0,0,0,0,1,0|3,0,0]=4 308 B9R0.55 CN(C)CCCCC(=O)O Amb7783201 [0,0,0,0,1,0|3,0,0]=4 309 B9R0.55 CN(C)CCSCC(=O)O Amb1138164 [0,0,0,0,1,0|3,0,0]=4 310 B9R0.55 CN(C)CCSCC(=O)O Amb33329916 [0,0,0,0,1,0|3,0,0]=4 311 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [0,0,0,0,1,0|2,0,0]=3 312 B9R0.55 CS(=O)CCSCC(=O)O Amb27236300 [0,0,0,0,1,0|2,0,0]=3 313 B9R0.55 C[C@@H](N)CCCCC(=O)O Amb25877255 [0,0,0,0,1,0|2,0,1]=4 314 B9R0.55 C[C@@H](O)CSCCC(N)=O Amb27795743 [0,0,0,0,1,0|2,0,1]=4 315 B9R0.55 C[C@H](O)CSCCC(N)=O Amb28195669 [0,0,0,0,1,0|2,0,1]=4 316 B9R0.55 C\C(Br)=C/CCCC(=O)O Amb27798317 [0,0,0,0,1,0|2,0,1]=4 317 B9R0.55 C\C(Cl)=C/CSCC(=O)O Amb27865640 [0,0,0,0,1,0|2,0,1]=4 318 B9R0.55 N=C(N)CSCCC(N)=O Amb27469951 [0,0,0,0,1,0|3,0,0]=4 319 B9R0.55 N=C(N)NCCCC(=O)O Amb9813713 [0,0,0,0,1,0|3,0,0]=4 320 B9R0.55 NC(=O)CCCCC(=O)O Amb9391119 [0,0,0,0,1,0|1,0,0]=2 321 B9R0.55 NC(=O)CCCCC(N)=O Amb2793081 [0,0,0,0,1,0|2,0,0]=3 322 B9R0.55 NC(=O)CONCC(=O)O Amb27215866 [0,0,0,0,1,0|2,1,0]=4 323 B9R0.55 NC(=O)CSCCC(=O)O Amb6664956 [0,0,0,0,1,0|1,0,0]=2 324 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [0,0,0,0,1,0|2,0,0]=3 325 B9R0.55 NC(=O)NCNCC(=O)O Amb27446531 [0,0,0,0,1,0|3,0,0]=4 326 B9R0.55 NC(=S)NCCCC(=O)O Amb27649643 [0,0,0,0,1,0|2,1,0]=4 327 B9R0.55 O=C(Cl)CCCCC(=O)Cl Amb3940243 [0,0,0,0,1,0|2,0,0]=3 328 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [0,0,0,0,1,0|0,0,2]=3 329 B9R0.55 O=C(O)CCCC=C(F)F Amb27831187 [0,0,0,0,1,0|2,0,1]=4 330 B9R0.55 O=C(O)CCCCC(=O)Cl Amb27614847 [0,0,0,0,1,0|1,0,0]=2 331 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [0,0,0,0,1,0|0,0,0]=1 332 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [0,0,0,0,1,0|0,0,0]=1 333 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [0,0,0,0,1,0|0,0,0]=1 334 B9R0.55 O=C(O)CCCCC(O)O Amb28143854 [0,0,0,0,1,0|0,0,2]=3 335 B9R0.55 O=C(O)CCCCN(F)F Amb27985922 [0,0,0,0,1,0|3,0,0]=4 336 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [0,0,0,0,1,0|1,0,0]=2 337 B9R0.55 O=C(O)CNNCC(=O)O Amb23438062 [0,0,0,0,1,0|2,0,0]=3 338 B9R0.55 O=C(O)CSSCC(=O)O Amb8395267 [0,0,0,0,1,0|1,0,0]=2 339 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [0,0,0,0,1,0|0,0,2]=3 340 B9R0.55 O=C(O)C\N=N/CC(=O)O Amb28188728 [0,0,0,0,1,0|2,0,0]=3 341 B9R0.55 O=C(O)C\N=N\CC(=O)O Amb27882019 [0,0,0,0,1,0|2,0,0]=3 342 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [0,0,0,0,1,0|0,0,2]=3 343 B9R0.55 O=C(O)\C=C\SCC(=O)O Amb18645625 [0,0,0,0,1,0|0,0,2]=3 344 B9R0.55 O=C([O-])CCCCC(=O)[O-] Amb22168121 [0,0,0,0,1,0|0,0,2]=3 345 B11R0.30 C=C(Cl)CCCCCCC(=O)O Amb6299583 [0,0,0,0,0,1|3,0,0]=4 346 B11R0.30 CC(=O)CCCCCCC(=O)O Amb28653044 [0,0,0,0,0,1|2,0,0]=3 347 B11R0.30 CC(=O)CCCCCCC(C)=O Amb21962685 [0,0,0,0,0,1|3,0,0]=4 348 B11R0.30 CC(=O)NCCCCCC(=O)O Amb1208026 [0,0,0,0,0,1|2,0,0]=3 349 B11R0.30 CC(=O)NCCCCCC(=O)O Amb33513104 [0,0,0,0,0,1|2,0,0]=3 350 B11R0.30 CC(=O)NCCCCCC(N)=O Amb8998167 [0,0,0,0,0,1|3,0,0]=4 351 B11R0.30 N=C(N)NCCCCCC(=O)O Amb20621391 [0,0,0,0,0,1|3,0,0]=4 352 B11R0.30 N=C(N)NCCCCCC(=O)O Amb31291051 [0,0,0,0,0,1|3,0,0]=4 353 B11R0.30 NC(=O)CCSSCCC(N)=O Amb2405304 [0,0,0,0,0,1|2,0,0]=3 354 B11R0.30 NC(=O)NCCCCCC(=O)O Amb440324 [0,0,0,0,0,1|2,0,0]=3 355 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl Amb8514533 [0,0,0,0,0,1|3,0,0]=4 356 B11R0.30 O=C(Cl)CCSSCCC(=O)Cl Amb24090125 [0,0,0,0,0,1|2,0,0]=3 357 B11R0.30 O=C(O)CCCCCCC(=O)O Amb533225 [0,0,0,0,0,1|1,0,0]=2 358 B11R0.30 O=C(O)CCCSCCC(=O)O Amb17501237 [0,0,0,0,0,1|0,0,0]=1 359 B11R0.30 O=C(O)CCSSCCC(=O)O Amb3941592 [0,0,0,0,0,1|0,0,0]=1 360 B11R0.30 O=C(O)CC\C=C\CCC(=O)O Amb33986633 [0,0,0,0,0,1|1,0,0]=2 361 B11R0.30 O=C(O)CNCCNCC(=O)O Amb8513678 [0,0,0,0,0,1|2,0,0]=3 362 B11R0.30 O=C(O)COCCOCC(=O)O Amb6608730 [0,0,0,0,0,1|2,0,0]=3 363 B11R0.30 O=C(O)CSCCSCC(=O)O Amb6366454 [0,0,0,0,0,1|2,0,0]=3 364 B8R0.4 C=CCCCCCC=O Amb26017982 [2,0,0,0,0,0|2,0,0]=4 365 B8R0.4 C=CCCOCCC=O Amb28341311 [2,0,0,0,0,0|1,1,0]=4 366 B8R0.4 C=CCCSCCC=O Amb27424727 [2,0,0,0,0,0|1,0,0]=3 367 B8R0.4 COCCSCCC=O Amb27837422 [2,0,0,0,0,0|2,0,0]=4 368 B8R0.4 CSCCSCCC=O Amb27956184 [2,0,0,0,0,0|2,0,0]=4 369 B8R0.4 O=CCCCCNC=O Amb27841683 [2,0,0,0,0,0|2,0,0]=4 370 B8R0.4 O=CCCOCCCO Amb28428559 [2,0,0,0,0,0|0,1,1]=4 371 B8R0.7 C#CCCCCC(=O)O Amb2721485 [2,0,0,0,0,0|1,0,1]=4 372 B8R0.7 C=C(Br)CCCCC=O Amb28200066 [2,0,0,0,0,0|2,0,0]=4 373 B8R0.7 C=C(C)CCCCC=O Amb27750320 [2,0,0,0,0,0|2,0,0]=4 374 B8R0.7 C=CCCCCC(=O)O Amb6299578 [2,0,0,0,0,0|1,0,0]=3 375 B8R0.7 C=CCCCCC(C)=O Amb24546961 [2,0,0,0,0,0|2,0,0]=4 376 B8R0.7 C=CCCCCC(N)=O Amb27236725 [2,0,0,0,0,0|2,0,0]=4 377 B8R0.7 C=CCCOCC(=O)O Amb7793843 [2,0,0,0,0,0|1,1,0]=4 378 B8R0.7 C=CCCSCC(=O)O Amb27810806 [2,0,0,0,0,0|1,0,0]=3 379 B8R0.7 C=CCNCCC(=O)O Amb33527032 [2,0,0,0,0,0|1,0,1]=4 380 B8R0.7 C=CCNCCC(=O)O Amb7755724 [2,0,0,0,0,0|1,0,1]=4 381 B8R0.7 CC(=O)CCCCCO Amb27237283 [2,0,0,0,0,0|1,0,1]=4 382 B8R0.7 CC(=O)CCCOC=O Amb1033032 [2,0,0,0,0,0|2,0,0]=4 383 B8R0.7 CC(=O)CCNCCO Amb24481900 [2,0,0,0,0,0|2,0,0]=4 384 B8R0.7 CC(=O)SCCCC=O Amb22524698 [2,0,0,0,0,0|2,0,0]=4 385 B8R0.7 CCCCCCC(=O)O Amb34915914 [2,0,0,0,0,0|1,0,1]=4 386 B8R0.7 CCCCCCC(=O)O Amb3499439 [2,0,0,0,0,0|1,0,1]=4 387 B8R0.7 CCCCSCC(=O)O Amb1138789 [2,0,0,0,0,0|1,0,1]=4 388 B8R0.7 CCCNCCC(=O)O Amb18633174 [2,0,0,0,0,0|1,0,1]=4 389 B8R0.7 CCCNCCC(=O)O Amb2372065 [2,0,0,0,0,0|1,0,1]=4 390 B8R0.7 CCCOCCC(=O)O Amb8874502 [2,0,0,0,0,0|0,1,1]=4 391 B8R0.7 CCSSCCC(=O)O Amb27837279 [2,0,0,0,0,0|1,0,1]=4 392 B8R0.7 CNCCCCC(=O)O Amb10605773 [2,0,0,0,0,0|2,0,0]=4 393 B8R0.7 CNCCCCC(=O)O Amb24340485 [2,0,0,0,0,0|2,0,0]=4 394 B8R0.7 COCCCCC(=O)O Amb9207785 [2,0,0,0,0,0|2,0,0]=4 395 B8R0.7 COCCSCC(=O)O Amb6245777 [2,0,0,0,0,0|2,0,0]=4 396 B8R0.7 COCSCCC(=O)O Amb27263382 [2,0,0,0,0,0|1,0,1]=4 397 B8R0.7 CS(=O)CCCCC=O Amb27856287 [2,0,0,0,0,0|2,0,0]=4 398 B8R0.7 CSCCCCC(=O)O Amb17503764 [2,0,0,0,0,0|2,0,0]=4 399 B8R0.7 CSCCSCC(=O)O Amb27964765 [2,0,0,0,0,0|2,0,0]=4 400 B8R0.7 C[C@H](O)CCCCC=O Amb27793108 [2,0,0,0,0,0|1,0,1]=4 401 B8R0.7 C\C=C\CCCC(=O)O Amb18642615 [2,0,0,0,0,0|1,0,1]=4 402 B8R0.7 C\C=C\CSCC(=O)O Amb9727556 [2,0,0,0,0,0|1,0,1]=4 403 B8R0.7 N#CCCCCC(=O)O Amb17593332 [2,0,0,0,0,0|1,0,1]=4 404 B8R0.7 N#CCCSCC(=O)O Amb17502363 [2,0,0,0,0,0|1,0,1]=4 405 B8R0.7 N#CCSCCC(=O)O Amb6277440 [2,0,0,0,0,0|1,0,1]=4 406 B8R0.7 NC(=O)CCCCCO Amb22524369 [2,0,0,0,0,0|1,0,1]=4 407 B8R0.7 NC(=O)CCNCCO Amb4303499 [2,0,0,0,0,0|2,0,0]=4 408 B8R0.7 NC(=O)CCOCCO Amb28289325 [2,0,0,0,0,0|1,1,0]=4 409 B8R0.7 NC(=O)CCSCCBr Amb28367265 [2,0,0,0,0,0|2,0,0]=4 410 B8R0.7 NC(=O)CCSCCCl Amb27620677 [2,0,0,0,0,0|2,0,0]=4 411 B8R0.7 NC(=O)CSCCCO Amb27408312 [2,0,0,0,0,0|1,0,1]=4 412 B8R0.7 NCCCCCC(=O)O Amb17607928 [2,0,0,0,0,0|1,0,1]=4 413 B8R0.7 NCCCCCC(=O)O Amb1905625 [2,0,0,0,0,0|1,0,1]=4 414 B8R0.7 NCCCSCC(=O)O Amb17500676 [2,0,0,0,0,0|1,0,1]=4 415 B8R0.7 NCCNCCC(=O)O Amb20668304 [2,0,0,0,0,0|2,0,0]=4 416 B8R0.7 NCCNCCC(=O)O Amb22058790 [2,0,0,0,0,0|2,0,0]=4 417 B8R0.7 NCCOCCC(=O)O Amb18630461 [2,0,0,0,0,0|1,1,0]=4 418 B8R0.7 NCCOCCC(=O)O Amb33330744 [2,0,0,0,0,0|1,1,0]=4 419 B8R0.7 NCCSCCC(=O)O Amb21988844 [2,0,0,0,0,0|1,0,0]=3 420 B8R0.7 NCCSSCC(=O)O Amb27658690 [2,0,0,0,0,0|2,0,0]=4 421 B8R0.7 NOCCCCC(=O)O Amb27596055 [2,0,0,0,0,0|2,0,0]=4 422 B8R0.7 O=C(Cl)CCCCCO Amb28056558 [2,0,0,0,0,0|1,0,1]=4 423 B8R0.7 O=C(O)CCC#CCO Amb27949900 [2,0,0,0,0,0|1,0,1]=4 424 B8R0.7 O=C(O)CCCCCBr Amb2081955 [2,0,0,0,0,0|1,0,1]=4 425 B8R0.7 O=C(O)CCCCCCl Amb18796646 [2,0,0,0,0,0|1,0,1]=4 426 B8R0.7 O=C(O)CCCCCF Amb26063796 [2,0,0,0,0,0|1,0,1]=4 427 B8R0.7 O=C(O)CCCCCI Amb22736492 [2,0,0,0,0,0|1,0,1]=4 428 B8R0.7 O=C(O)CCCCCO Amb8515991 [2,0,0,0,0,0|0,0,1]=3 429 B8R0.7 O=C(O)CCCCNO Amb28410171 [2,0,0,0,0,0|1,0,0]=3 430 B8R0.7 O=C(O)CCNCCF Amb27954272 [2,0,0,0,0,0|2,0,0]=4 431 B8R0.7 O=C(O)CCNCCO Amb1110010 [2,0,0,0,0,0|1,0,0]=3 432 B8R0.7 O=C(O)CCNCCS Amb28285239 [2,0,0,0,0,0|1,1,0]=4 433 B8R0.7 O=C(O)CCOCCBr Amb24057757 [2,0,0,0,0,0|1,1,0]=4 434 B8R0.7 O=C(O)CCOCCF Amb27807548 [2,0,0,0,0,0|1,1,0]=4 435 B8R0.7 O=C(O)CCOCCO Amb6680916 [2,0,0,0,0,0|0,1,0]=3 436 B8R0.7 O=C(O)CCOCCS Amb27226892 [2,0,0,0,0,0|0,2,0]=4 437 B8R0.7 O=C(O)CCSCCBr Amb27468126 [2,0,0,0,0,0|1,0,0]=3 438 B8R0.7 O=C(O)CCSCCF Amb27172860 [2,0,0,0,0,0|1,0,0]=3 439 B8R0.7 O=C(O)CCSCCS Amb18126456 [2,0,0,0,0,0|0,1,0]=3 440 B8R0.7 O=C(O)CNCCCO Amb9325805 [2,0,0,0,0,0|1,0,1]=4 441 B8R0.7 O=C(O)COCCCO Amb28288633 [2,0,0,0,0,0|0,1,1]=4 442 B8R0.7 O=C(O)C\C=C/CCO Amb28410474 [2,0,0,0,0,0|1,0,1]=4 443 B8R0.7 O=C(O)C\C=C\CCO Amb27221056 [2,0,0,0,0,0|1,0,1]=4 444 B8R0.7 O=C(O)\C=C/SCCO Amb27430273 [2,0,0,0,0,0|0,0,2]=4 445 B8R0.7 O=C(O)\C=C\SCCO Amb28281149 [2,0,0,0,0,0|0,0,2]=4 446 B8R0.7 O=C([O-])CCCCCO Amb22491268 [2,0,0,0,0,0|0,0,2]=4 447 B8R0.7 O=C=NCCCC(=O)O Amb26014000 [2,0,0,0,0,0|1,0,1]=4 448 B8R0.7 O=CCCCCC(=O)O Amb18642763 [2,0,0,0,0,0|0,0,0]=2 449 B8R0.7 O=CCCCCC(O)O Amb28285175 [2,0,0,0,0,0|0,0,2]=4 450 B8R0.7 O=CC\C=C\CC(=O)O Amb25911988 [2,0,0,0,0,0|0,0,2]=4 451 B8R0.7 O=CNCCCC(=O)O Amb18305404 [2,0,0,0,0,0|1,0,0]=3 452 B8R0.7 O=COCCCC(=O)O Amb27217713 [2,0,0,0,0,0|1,0,0]=3 453 B8R0.7 O=C\C=C\CCC(=O)O Amb26920160 [2,0,0,0,0,0|0,0,2]=4 454 B8R0.7 O=[N+]([O-])CCSCCO Amb28045665 [2,0,0,0,0,0|1,0,1]=4 455 B8R0.7 OCCSCCB(O)O Amb27593951 [2,0,0,0,0,0|1,0,1]=4 456 B10R0.4 C=CCOCCCCC(=O)O Amb9208690 [1,1,0,0,0,0|2,0,0]=4 457 B10R0.4 CC(=O)NCCCCCC=O Amb24113371 [1,1,0,0,0,0|2,0,0]=4 458 B10R0.4 CCCCSCCCC(=O)O Amb9280591 [1,1,0,0,0,0|1,0,1]=4 459 B10R0.4 COCCCNCCC(=O)O Amb8841109 [1,1,0,0,0,0|1,0,1]=4 460 B10R0.4 COCCCOCCC(=O)O Amb18180046 [1,1,0,0,0,0|0,1,1]=4 461 B10R0.4 N#CCCSCCCC(=O)O Amb17502410 [1,1,0,0,0,0|1,0,1]=4 462 B10R0.4 NCCCSCCCC(=O)O Amb17500719 [1,1,0,0,0,0|1,0,1]=4 463 B10R0.4 O=C(O)CCCCCCCO Amb2688777 [1,1,0,0,0,0|1,0,1]=4 464 B10R0.4 O=C(O)CCCCOCCO Amb7782972 [1,1,0,0,0,0|1,0,1]=4 465 B10R0.4 O=C(O)CCCSCCCO Amb17502860 [1,1,0,0,0,0|0,0,1]=3 466 B10R0.4 O=C=NCCCCCC(=O)O Amb32667106 [1,1,0,0,0,0|1,0,1]=4 467 B10R0.74 COC(=O)CCCCCCO Amb13887312 [1,1,0,0,0,0|1,0,1]=4 468 B10R0.74 COC(=O)CCNCCCO Amb9243307 [1,1,0,0,0,0|1,0,1]=4 469 B10R0.74 COC(=O)CCSCCCN Amb9482011 [1,1,0,0,0,0|1,0,1]=4 470 B10R0.75 C=CCCCCC(N)C(=O)O Amb34184143 [1,1,0,0,0,0|2,0,0]=4 471 B10R0.75 C=CCCCC[C@@H](N)C(=O)O Amb22747247 [1,1,0,0,0,0|2,0,0]=4 472 B10R0.75 C=CCCCC[C@H](N)C(=O)O Amb22270014 [1,1,0,0,0,0|2,0,0]=4 473 B10R0.75 C=CCSSC[C@H](N)C(=O)O Amb33330242 [1,1,0,0,0,0|2,0,0]=4 474 B10R0.75 COCCSCC(N)C(=O)O Amb6258105 [1,1,0,0,0,0|2,0,0]=4 475 B10R0.75 NC(CCCCCO)C(=O)O Amb33037096 [1,1,0,0,0,0|1,0,1]=4 476 B10R0.75 NC(CSCCCO)C(=O)O Amb8390352 [1,1,0,0,0,0|0,0,1]=3 477 B10R0.75 NCCCSCC(N)C(=O)O Amb28652964 [1,1,0,0,0,0|1,0,1]=4 478 B10R0.75 NCCCSCC(N)C(=O)O Amb32652572 [1,1,0,0,0,0|1,0,1]=4 479 B10R0.75 N[C@@H](CCCCCO)C(=O)O Amb33308918 [1,1,0,0,0,0|1,0,1]=4 480 B10R0.75 N[C@@H](CSCCCO)C(=O)O Amb8390824 [1,1,0,0,0,0|0,0,1]=3 481 B10R0.75 N[C@H](CCCCCO)C(=O)O Amb33065614 [1,1,0,0,0,0|1,0,1]=4 482 B10R0.75 O=C(O)C(=O)CSCCCO Amb33069718 [1,1,0,0,0,0|0,0,2]=4 483 B10R0.75 O=CCCSCC(=O)C(=O)O Amb33069917 [1,1,0,0,0,0|0,0,1]=3 484 B10R0.15 CS(=O)(=O)CCCCC(=O)O Amb17503797 [0,1,0,0,1,0|1,0,1]=4 485 B10R0.15 O=C(O)CCCCP(=O)(O)O Amb3371884 [0,1,0,0,1,0|1,0,0]=3 486 B10R0.15 O=C(O)CCCCS(=O)(=O)O Amb32663857 [0,1,0,0,1,0|1,0,0]=3 487 B10R0.96 CC(=O)CC(C)CCC(=O)O Amb32667485 [0,1,0,0,1,0|1,0,0]=3 488 B10R0.96 CC(=O)CCC(C)CC(=O)O Amb32668383 [0,1,0,0,1,0|1,0,0]=3 489 B10R0.96 CC(=O)NC(C)CCC(=O)O Amb27492061 [0,1,0,0,1,0|2,0,0]=4 490 B10R0.96 CC(=O)NCC(O)CC(=O)O Amb28079665 [0,1,0,0,1,0|2,0,0]=4 491 B10R0.96 CC(CCC(=O)Cl)CC(=O)Cl Amb3940506 [0,1,0,0,1,0|2,0,0]=4 492 B10R0.96 CC(CCC(=O)O)CC(=O)O Amb6608722 [0,1,0,0,1,0|0,0,0]=2 493 B10R0.96 CC(CCC(=O)O)NC(N)=O Amb27492066 [0,1,0,0,1,0|2,0,0]=4 494 B10R0.96 CN(CCC(=O)O)CC(N)=O Amb8957129 [0,1,0,0,1,0|2,0,0]=4 495 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O Amb22746285 [0,1,0,0,1,0|1,0,0]=3 496 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O Amb22348459 [0,1,0,0,1,0|1,0,0]=3 497 B10R0.96 NC(=O)NCC(O)CC(=O)O Amb28079675 [0,1,0,0,1,0|2,0,0]=4 498 B10R0.96 NC(CCC(=O)O)CC(=O)O Amb8631356 [0,1,0,0,1,0|0,0,0]=2 499 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O Amb16232070 [0,1,0,0,1,0|0,0,0]=2 500 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O Amb22750585 [0,1,0,0,1,0|0,0,0]=2 501 B10R0.96 O=C(O)CCC(O)CC(=O)O Amb22727761 [0,1,0,0,1,0|0,0,0]=2 502 B10R0.96 O=C(O)CNC(=O)CC(=O)O Amb18800491 [0,1,0,0,1,0|1,0,1]=4 503 B10R0.98 CC(=O)CCCC(N)C(=O)O Amb33036722 [0,1,0,0,1,0|1,0,0]=3 504 B10R0.98 CC(=O)CCCC(N)C(N)=O Amb33308963 [0,1,0,0,1,0|2,0,0]=4 505 B10R0.98 CC(=O)CCC[C@@H](N)C(=O)O Amb32937025 [0,1,0,0,1,0|1,0,0]=3 506 B10R0.98 CC(=O)CCC[C@H](N)C(=O)O Amb32865922 [0,1,0,0,1,0|1,0,0]=3 507 B10R0.98 CC(=O)CCNC(C)C(=O)O Amb32675829 [0,1,0,0,1,0|2,0,0]=4 508 B10R0.98 CC(=O)CSCC(=O)C(=O)O Amb33069919 [0,1,0,0,1,0|1,0,1]=4 509 B10R0.98 CC(=O)N(C)CCCC(=O)O Amb9203971 [0,1,0,0,1,0|2,0,0]=4 510 B10R0.98 CC(=O)NCCC(C)C(=O)O Amb27270987 [0,1,0,0,1,0|2,0,0]=4 511 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O Amb26659493 [0,1,0,0,1,0|2,0,0]=4 512 B10R0.98 CC(=O)NCC[C@H](O)C(=O)O Amb27670710 [0,1,0,0,1,0|2,0,0]=4 513 B10R0.98 CC(CCNC(N)=O)C(=O)O Amb27270986 [0,1,0,0,1,0|2,0,0]=4 514 B10R0.98 CC(NCCC(=O)O)C(=O)O Amb18098310 [0,1,0,0,1,0|1,0,0]=3 515 B10R0.98 CC(O)CCCC(N)C(=O)O Amb32941153 [0,1,0,0,1,0|1,0,1]=4 516 B10R0.98 CC(O)CCC[C@@H](N)C(=O)O Amb33066250 [0,1,0,0,1,0|1,0,1]=4 517 B10R0.98 CC(O)CCC[C@H](N)C(=O)O Amb33127508 [0,1,0,0,1,0|1,0,1]=4 518 B10R0.98 CC(SCCC(=O)O)C(=O)O Amb17501234 [0,1,0,0,1,0|0,0,0]=2 519 B10R0.98 CC(SCCC(=O)O)C(N)=O Amb9202514 [0,1,0,0,1,0|1,0,0]=3 520 B10R0.98 CC(S\C=C\C(=O)O)C(=O)O Amb18647961 [0,1,0,0,1,0|0,0,2]=4 521 B10R0.98 NC(=O)CSCC(=O)C(=O)O Amb33069776 [0,1,0,0,1,0|1,0,1]=4 522 B10R0.98 NC(=O)NCCC(O)C(=O)O Amb27670719 [0,1,0,0,1,0|2,0,0]=4 523 B10R0.98 NC(=O)NCC[C@H](O)C(=O)O Amb27670720 [0,1,0,0,1,0|2,0,0]=4 524 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb22740152 [0,1,0,0,1,0|0,0,0]=2 525 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb6334822 [0,1,0,0,1,0|0,0,0]=2 526 B10R0.98 NC(CSCC(=O)O)C(=O)O Amb6740297 [0,1,0,0,1,0|0,0,0]=2 527 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O Amb6600090 [0,1,0,0,1,0|0,0,0]=2 528 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb16232500 [0,1,0,0,1,0|0,0,0]=2 529 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb6336477 [0,1,0,0,1,0|0,0,0]=2 530 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Amb8629031 [0,1,0,0,1,0|0,0,0]=2 531 B10R0.98 N[C@H](C\C=C\C(=O)O)C(=O)O Amb25383155 [0,1,0,0,1,0|0,0,2]=4 532 B10R0.98 O=C(O)CCCC(O)C(=O)O Amb21963897 [0,1,0,0,1,0|0,0,0]=2 533 B10R0.98 O=C(O)CSCC(=O)C(=O)O Amb33069681 [0,1,0,0,1,0|0,0,1]=3 534 B10R0.98 O=C([O-])CCCC(O)C(=O)[O-] Amb22284811 [0,1,0,0,1,0|0,0,2]=4 535 B12R0.42 CC(=O)CCCSCC(=O)C(=O)O Amb33069925 [0,1,0,0,0,1|1,0,1]=4 536 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O Amb24323525 [0,1,0,0,0,1|2,0,0]=4 537 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O Amb3499375 [0,1,0,0,0,1|2,0,0]=4 538 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O Amb6364971 [0,1,0,0,0,1|2,0,0]=4 539 B12R0.42 NC(=O)NCCCCC(N)C(=O)O Amb6340311 [0,1,0,0,0,1|2,0,0]=4 540 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O Amb16183831 [0,1,0,0,0,1|2,0,0]=4 541 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O Amb16184037 [0,1,0,0,0,1|2,0,0]=4 542 B12R0.42 NC(CCCCCC(=O)O)C(=O)O Amb10807509 [0,1,0,0,0,1|1,0,0]=3 543 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O Amb17678794 [0,1,0,0,0,1|1,0,0]=3 544 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O Amb33757551 [0,1,0,0,0,1|1,0,0]=3 545 B12R0.42 O=C(O)CCCSCC(=O)C(=O)O Amb33069687 [0,1,0,0,0,1|0,0,1]=3 546 B12R0.42 O=C(O)\C=C\CSCC(=O)C(=O)O Amb33069683 [0,1,0,0,0,1|0,0,2]=4 547 B12R0.44 CN(CCCC(=O)O)CCC(=O)O Amb17561253 [0,1,0,0,0,1|1,0,0]=3 548 B12R0.44 O=C(O)CCNC(=O)CCC(=O)O Amb19060266 [0,1,0,0,0,1|1,0,0]=3 549 B12R0.184 C=CC(=O)NCCCCCC(=O)O Amb6274811 [0,1,0,0,0,1|2,0,0]=4 550 B12R0.184 CCC(=O)NCCCCCC(=O)O Amb1137874 [0,1,0,0,0,1|2,0,0]=4 551 B12R0.184 COC(=O)CCCCCCC(=O)O Amb3940370 [0,1,0,0,0,1|1,0,0]=3 552 B12R0.184 O=C(O)CCCCCNC(=O)CCl Amb2282836 [0,1,0,0,0,1|2,0,0]=4 553 B12R0.258 N[C@@H](CC(=O)O)C(=O)NCC(=O)O Amb22745769 [0,2,0,0,0,0|2,0,0]=4 554 B12R0.687 CC(=O)CC(C)SCC(=O)C(=O)O Amb33069918 [0,2,0,0,0,0|1,0,1]=4 555 B12R0.687 CC(CC(=O)O)SCC(=O)C(=O)O Amb33069704 [0,2,0,0,0,0|0,0,1]=3 556 B12R0.687 O=C(O)CC(=O)SCC(=O)C(=O)O Amb33070036 [0,2,0,0,0,0|0,0,2]=4 557 B12R0.697 O=C(O)CCCS(=O)(=O)CC(=O)O Amb17503648 [0,2,0,0,0,0|2,0,0]=4 558 B12R0.86 COC(=O)C(N)CCCCC(C)=O Amb33308871 [0,2,0,0,0,0|2,0,0]=4 559 B12R0.139 O=C(O)CCS(=O)CC(=O)C(=O)O Amb33069708 [0,2,0,0,0,0|0,0,2]=4 560 B12R0.186 COC(=O)CCCCC(C)C(C)=O Amb20669329 [0,2,0,0,0,0|2,0,0]=4 561 B12R0.186 COC(=O)CCSCC(=O)C(=O)O Amb33069689 [0,2,0,0,0,0|0,0,1]=3 562 B12R0.186 NNC(=O)CCSCC(=O)C(=O)O Amb33069910 [0,2,0,0,0,0|1,0,1]=4 563 B12R0.186 N\C(CCSCC(=O)C(=O)O)=N/O Amb33069788 [0,2,0,0,0,0|1,0,1]=4 564 B12R0.238 CCC(SCCCC(=O)O)C(=O)O Amb17501368 [0,2,0,0,0,0|2,0,0]=4 565 B12R0.264 NC(CCCCS(=O)(=O)O)C(=O)O Amb33308590 [0,2,0,0,0,0|2,0,0]=4 566 B12R0.264 N[C@@H](CCCCS(=O)(=O)O)C(=O)O Amb33127544 [0,2,0,0,0,0|2,0,0]=4 567 B12R0.264 N[C@H](CCCCS(=O)(=O)O)C(=O)O Amb33066285 [0,2,0,0,0,0|2,0,0]=4 568 B12R0.627 C=C(CSCC(=O)C(=O)O)C(=O)O Amb33069701 [0,2,0,0,0,0|0,0,2]=4 569 B12R0.627 CC(CSCC(=O)C(=O)O)C(=O)O Amb33069694 [0,2,0,0,0,0|0,0,1]=3 570 B12R0.627 CC(CSC[C@@H](N)C(=O)O)C(=O)O Amb24117976 [0,2,0,0,0,0|0,0,0]=2 571 B12R0.627 NC(=O)C(N)CSCC(=O)C(=O)O Amb33069695 [0,2,0,0,0,0|1,0,1]=4 572 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O Amb533293 [0,2,0,0,0,0|1,0,0]=3 573 B12R0.627 NC(CSCC(=O)C(=O)O)C(=O)O Amb33069702 [0,2,0,0,0,0|0,0,1]=3 574 B12R0.627 N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O Amb33524015 [0,2,0,0,0,0|1,0,0]=3 575 B12R0.627 O=C(O)C(=O)CSCC(Cl)C(=O)O Amb33069705 [0,2,0,0,0,0|0,0,1]=3 576 B12R0.627 O=C(O)C(=O)CSCC(O)C(=O)O Amb33069688 [0,2,0,0,0,0|0,0,1]=3 577 B12R0.692 NC(=O)CCNCC(F)(F)C(=O)O Amb33170726 [0,2,0,0,0,0|2,0,0]=4 578 B12R0.692 NC(=O)CCSCC(F)(F)C(=O)O Amb33169295 [0,2,0,0,0,0|1,0,0]=3 579 B12R0.388 O=C(O)CCS(=O)(=O)CCC(=O)O Amb3318557 [0,2,0,0,0,0|0,0,1]=3 580 B12R0.183 COC(=O)CCCCCC(=O)OC Amb8513790 [0,2,0,0,0,0|1,0,0]=3 581 B12R0.183 COC(=O)CCCSCC(=O)OC Amb9482224 [0,2,0,0,0,0|2,0,0]=4 582 B12R0.183 COC(=O)CCNCCC(=O)OC Amb18324245 [0,2,0,0,0,0|1,0,0]=3 583 B12R0.183 COC(=O)CCSCCC(=O)OC Amb6891935 [0,2,0,0,0,0|0,0,0]=2 584 B12R0.183 NNC(=O)CCSCCC(=O)NN Amb1150527 [0,2,0,0,0,0|2,0,0]=4 585 B12R0.277 CCCC(=O)CCCCCC(=O)O Amb6305242 [0,2,0,0,0,0|2,0,0]=4 586 B12R0.277 CCOC(=O)CCCCCC(=O)O Amb2692048 [0,2,0,0,0,0|1,0,0]=3 587 B10R1.10 O=C1CCC[C@@H](CCO)O1 Amb28205971 [1,0,0,1,0,0|1,0,1]=4 588 B10R1.16 O=C1CCC(CCCO)O1 Amb27968758 [1,0,0,1,0,0|1,0,1]=4 589 B10R1.16 O=C1CC[C@H](CCCO)O1 Amb27205711 [1,0,0,1,0,0|1,0,1]=4 590 B10R1.18 O=C(O)CC1C=CCCC1 Amb18124573 [1,0,0,1,0,0|2,0,0]=4 591 B10R1.18 O=C(O)CC1CCCCO1 Amb1091980 [1,0,0,1,0,0|1,0,1]=4 592 B10R1.18 O=C(O)CC1CNCCS1 Amb27447972 [1,0,0,1,0,0|2,0,0]=4 593 B10R1.18 O=C(O)CC1CSCCS1 Amb28068478 [1,0,0,1,0,0|2,0,0]=4 594 B10R1.18 O=C(O)CC1NCCCS1 Amb18645532 [1,0,0,1,0,0|1,0,1]=4 595 B10R1.18 O=C(O)CC1OCCCO1 Amb26656959 [1,0,0,1,0,0|0,1,1]=4 596 B10R1.24 O=C1CC(CCCCO)O1 Amb28079077 [1,0,0,1,0,0|1,0,1]=4 597 B10R1.24 O=CCCCC1CC(=O)O1 Amb27854923 [1,0,0,1,0,0|1,0,0]=3 598 B10R1.39 CC(=O)C1CCCC1C=O Amb24611185 [1,0,0,1,0,0|2,0,0]=4 599 B10R1.39 O=C(O)C1CNCC1CO Amb2696581 [1,0,0,1,0,0|1,0,1]=4 600 B10R1.39 O=C(O)C1CSCC1CS Amb27872260 [1,0,0,1,0,0|0,1,1]=4 601 B10R1.39 O=CN1CCCC1C(=O)O Amb18944572 [1,0,0,1,0,0|2,0,0]=4 602 B10R1.39 O=CN1CCC[C@H]1C(=O)O Amb24053316 [1,0,0,1,0,0|2,0,0]=4 603 B10R1.39 O=C[C@@H]1CCC[C@@H]1C(=O)O Amb27643790 [1,0,0,1,0,0|1,0,0]=3 604 B10R1.39 O=NN1CSCC1C(=O)O Amb17618626 [1,0,0,1,0,0|2,0,0]=4 605 B10R1.39 O=NN1CSC[C@@H]1C(=O)O Amb27228625 [1,0,0,1,0,0|2,0,0]=4 606 B10R1.39 O=NN1CSC[C@H]1C(=O)O Amb17618627 [1,0,0,1,0,0|2,0,0]=4 607 B10R1.61 CC(=O)C1CCCCC1=O Amb422729 [1,0,0,1,0,0|2,0,0]=4 608 B10R1.61 CC(=O)C1COCCC1=O Amb27395668 [1,0,0,1,0,0|1,1,0]=4 609 B10R1.61 CC(=O)[C@H]1CSCC[C@H]1O Amb27230577 [1,0,0,1,0,0|1,0,1]=4 610 B10R1.61 CN1CCSCC1C(=O)O Amb27816216 [1,0,0,1,0,0|2,0,0]=4 611 B10R1.61 NC(=O)C1CCCCC1=O Amb590784 [1,0,0,1,0,0|2,0,0]=4 612 B10R1.61 NC(=O)C1CNCCC1=O Amb22728576 [1,0,0,1,0,0|2,0,0]=4 613 B10R1.61 O=C(O)C1CCCCC1=O Amb16230759 [1,0,0,1,0,0|1,0,0]=3 614 B10R1.61 O=C(O)C1CCCCC1=S Amb27657573 [1,0,0,1,0,0|1,1,0]=4 615 B10R1.61 O=C(O)C1CCCCC1O Amb2694762 [1,0,0,1,0,0|1,0,1]=4 616 B10R1.61 O=C(O)C1CCCCN1O Amb24445203 [1,0,0,1,0,0|2,0,0]=4 617 B10R1.61 O=C(O)C1CCCNC1=O Amb15701225 [1,0,0,1,0,0|2,0,0]=4 618 B10R1.61 O=C(O)C1COCCC1=O Amb25116475 [1,0,0,1,0,0|0,1,0]=3 619 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Amb16204296 [1,0,0,1,0,0|1,0,1]=4 620 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O Amb4022448 [1,0,0,1,0,0|1,0,1]=4 621 B10R1.64 CC(=O)CC1CCCC1=O Amb22363747 [1,0,0,1,0,0|2,0,0]=4 622 B10R1.64 NC(=O)CC1CCCC1=O Amb26013400 [1,0,0,1,0,0|2,0,0]=4 623 B10R1.64 O=C(O)CC1CCCC1=O Amb18643831 [1,0,0,1,0,0|1,0,0]=3 624 B10R1.64 O=C(O)CC1CCCC1O Amb18202404 [1,0,0,1,0,0|1,0,1]=4 625 B10R1.64 O=C(O)CC1CCNC1=O Amb18831604 [1,0,0,1,0,0|2,0,0]=4 626 B10R1.64 O=C(O)CC1CCOC1=O Amb18644064 [1,0,0,1,0,0|2,0,0]=4 627 B10R1.64 O=C(O)CC1CNCC1=O Amb27797524 [1,0,0,1,0,0|2,0,0]=4 628 B10R1.64 O=C(O)CC1OCOC1=O Amb27595868 [1,0,0,1,0,0|1,1,0]=4 629 B10R1.64 O=C(O)CN1CCCC1=O Amb1154197 [1,0,0,1,0,0|2,0,0]=4 630 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Amb25960224 [1,0,0,1,0,0|1,0,1]=4 631 B10R1.64 O=C(O)C[C@H]1CCC[C@H]1O Amb27489875 [1,0,0,1,0,0|1,0,1]=4 632 B10R1.64 O=C(O)C[C@H]1NCC[C@@H]1O Amb20242369 [1,0,0,1,0,0|1,0,1]=4 633 B10R1.64 O=C(O)C[C@H]1OCOC1=O Amb27882671 [1,0,0,1,0,0|1,1,0]=4 634 B10R1.66 O=C(O)CCC1CCCO1 Amb9776130 [1,0,0,1,0,0|1,0,1]=4 635 B10R1.66 O=C(O)CCN1CCCO1 Amb22586923 [1,0,0,1,0,0|1,0,1]=4 636 B10R1.66 O=C(O)CCN1CCCO1 Amb8009618 [1,0,0,1,0,0|1,0,1]=4 637 B10R1.77 O=C1CCCCCC(=O)C1 Amb22497156 [1,0,0,1,0,0|2,0,0]=4 638 B10R1.77 O=C1CCCCCC(=O)O1 Amb26512145 [1,0,0,1,0,0|1,0,0]=3 639 B10R1.77 O=C1CCNCCC(=O)N1 Amb27760001 [1,0,0,1,0,0|2,0,0]=4 640 B10R1.117 O=C(O)CCN1CCC1=O Amb27782123 [1,0,0,1,0,0|1,0,0]=3 641 B10R1.126 NC(=O)CCSC[C@@H]1CO1 Amb27473496 [1,0,0,1,0,0|1,0,1]=4 642 B10R1.126 NC(=O)CCSC[C@H]1CO1 Amb28346471 [1,0,0,1,0,0|1,0,1]=4 643 B10R1.126 O=C(O)CCSCC1CC1 Amb9422823 [1,0,0,1,0,0|1,0,1]=4 644 B10R1.156 CC(=O)CC[C@H]1C[C@H]1C=O Amb28437132 [1,0,0,1,0,0|2,0,0]=4 645 B10R1.162 O=C1CCCCC(CO)O1 Amb27663769 [1,0,0,1,0,0|1,0,1]=4 646 B10R1.348 O=C(O)C1CCCCCO1 Amb28294213 [1,0,0,1,0,0|1,0,1]=4 647 B10R1.348 O=C(O)C1CNCCCO1 Amb17739810 [1,0,0,1,0,0|1,0,1]=4 648 B10R1.348 O=C(O)C1CNCCSC1 Amb27813931 [1,0,0,1,0,0|2,0,0]=4 649 B10R1.348 O=C(O)[C@@H]1CSCCCN1 Amb28121128 [1,0,0,1,0,0|1,0,1]=4 650 B10R1.54 CC(=O)CC1CCC(=O)C1 Amb28122070 [0,0,0,1,1,0|2,0,0]=4 651 B10R1.54 CC(=O)CC1CCC(=O)N1 Amb18831756 [0,0,0,1,1,0|2,0,0]=4 652 B10R1.54 CC1CCC(CC(=O)O)O1 Amb24715878 [0,0,0,1,1,0|1,0,1]=4 653 B10R1.54 C[C@@H]1CCC(CC(=O)O)O1 Amb33423873 [0,0,0,1,1,0|1,0,1]=4 654 B10R1.54 C[C@@H]1CC[C@H](CC(=O)O)O1 Amb27969185 [0,0,0,1,1,0|1,0,1]=4 655 B10R1.54 O=C(Cl)CC1CCC(=O)C1 Amb27614921 [0,0,0,1,1,0|2,0,0]=4 656 B10R1.54 O=C(O)CC1=CC(=O)CC1 Amb27813115 [0,0,0,1,1,0|1,0,1]=4 657 B10R1.54 O=C(O)CC1=NC(=O)CS1 Amb9774271 [0,0,0,1,1,0|1,0,1]=4 658 B10R1.54 O=C(O)CC1CC(=O)CN1 Amb27860610 [0,0,0,1,1,0|2,0,0]=4 659 B10R1.54 O=C(O)CC1CCC(=O)C1 Amb18643816 [0,0,0,1,1,0|1,0,0]=3 660 B10R1.54 O=C(O)CC1CCC(=O)N1 Amb2372619 [0,0,0,1,1,0|1,0,0]=3 661 B10R1.54 O=C(O)CC1CCC(=O)O1 Amb6316138 [0,0,0,1,1,0|0,0,0]=2 662 B10R1.54 O=C(O)CC1CCC(O)C1 Amb33545095 [0,0,0,1,1,0|1,0,1]=4 663 B10R1.54 O=C(O)CC1CNC(=O)C1 Amb18831602 [0,0,0,1,1,0|2,0,0]=4 664 B10R1.54 O=C(O)CC1COC(=O)C1 Amb20669416 [0,0,0,1,1,0|2,0,0]=4 665 B10R1.54 O=C(O)CC1COC(=O)N1 Amb27838109 [0,0,0,1,1,0|2,0,0]=4 666 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 Amb28314258 [0,0,0,1,1,0|0,0,2]=4 667 B10R1.54 O=C(O)C[C@@H]1CCC(=O)C1 Amb24480441 [0,0,0,1,1,0|1,0,0]=3 668 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 Amb22587587 [0,0,0,1,1,0|1,0,0]=3 669 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](O)C1 Amb33716084 [0,0,0,1,1,0|1,0,1]=4 670 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 Amb27654242 [0,0,0,1,1,0|1,0,1]=4 671 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 Amb24410373 [0,0,0,1,1,0|2,0,0]=4 672 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 Amb22898751 [0,0,0,1,1,0|1,0,0]=3 673 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 Amb22587585 [0,0,0,1,1,0|1,0,0]=3 674 B10R1.54 O=C(O)C[C@H]1CCC(=O)O1 Amb26025159 [0,0,0,1,1,0|0,0,0]=2 675 B10R1.54 O=C(O)C[C@H]1CC[C@@H](O)C1 Amb28197757 [0,0,0,1,1,0|1,0,1]=4 676 B10R1.54 O=C(O)C[C@H]1CC[C@H](O)C1 Amb27221654 [0,0,0,1,1,0|1,0,1]=4 677 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 Amb26611732 [0,0,0,1,1,0|2,0,0]=4 678 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 Amb25744486 [0,0,0,1,1,0|2,0,0]=4 679 B10R1.54 O=C(O)\C=C1\CCC(=O)O1 Amb27850176 [0,0,0,1,1,0|0,0,2]=4 680 B10R1.71 O=C1CCCCC(=O)CC1 Amb4035103 [0,0,0,1,1,0|2,0,0]=4 681 B10R1.82 O=C(O)CCC1CC(=O)C1 Amb25770415 [0,0,0,1,1,0|1,0,0]=3 682 B10R1.113 CC(=O)C1CCCC(=O)O1 Amb24662042 [0,0,0,1,1,0|1,0,0]=3 683 B10R1.113 CC(=O)[C@@H]1CCCC(=O)C1 Amb27974638 [0,0,0,1,1,0|2,0,0]=4 684 B10R1.113 CC1=CC(C(=O)O)CCC1 Amb27252115 [0,0,0,1,1,0|2,0,0]=4 685 B10R1.113 CC1CCCC(C(=O)O)O1 Amb24529278 [0,0,0,1,1,0|1,0,1]=4 686 B10R1.113 NC(=O)C1CCCC(=O)C1 Amb24470598 [0,0,0,1,1,0|2,0,0]=4 687 B10R1.113 NC(=O)[C@@H]1CCCC(=O)N1 Amb24753146 [0,0,0,1,1,0|2,0,0]=4 688 B10R1.113 NC1=N[C@H](C(=O)O)CSC1 Amb28384073 [0,0,0,1,1,0|2,0,0]=4 689 B10R1.113 O=C(O)C1CCCC(O)C1 Amb33544783 [0,0,0,1,1,0|1,0,1]=4 690 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 Amb22899464 [0,0,0,1,1,0|1,0,1]=4 691 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 Amb28059041 [0,0,0,1,1,0|1,0,1]=4 692 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 Amb22899465 [0,0,0,1,1,0|1,0,1]=4 693 B10R1.113 O=C1C=C(C(=O)O)CCC1 Amb10789564 [0,0,0,1,1,0|1,0,1]=4 694 B10R1.113 O=C1CC(C(=O)O)CCN1 Amb33531218 [0,0,0,1,1,0|2,0,0]=4 695 B10R1.113 O=C1CCCC(C(=O)O)C1 Amb6305244 [0,0,0,1,1,0|1,0,0]=3 696 B10R1.113 O=C1CCCC(C(=O)O)N1 Amb2697230 [0,0,0,1,1,0|1,0,0]=3 697 B10R1.113 O=C1CCCC(C(=O)O)O1 Amb27969173 [0,0,0,1,1,0|0,0,0]=2 698 B10R1.113 O=C1CCC[C@@H](C(=O)O)C1 Amb28050152 [0,0,0,1,1,0|1,0,0]=3 699 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 Amb10576327 [0,0,0,1,1,0|1,0,0]=3 700 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 Amb8631220 [0,0,0,1,1,0|1,0,0]=3 701 B10R1.113 O=C1CCNC(C(=O)O)C1 Amb13889088 [0,0,0,1,1,0|2,0,0]=4 702 B10R1.113 O=C1CCNC(C(=O)O)C1 Amb13889089 [0,0,0,1,1,0|2,0,0]=4 703 B10R1.113 O=C1CCN[C@@H](C(=O)O)C1 Amb27977165 [0,0,0,1,1,0|2,0,0]=4 704 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 Amb13889084 [0,0,0,1,1,0|2,0,0]=4 705 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 Amb2699956 [0,0,0,1,1,0|2,0,0]=4 706 B10R1.113 O=C1CCOC(C(=O)O)C1 Amb22496784 [0,0,0,1,1,0|1,1,0]=4 707 B10R1.113 O=C1CNCC(C(=O)O)C1 Amb27244770 [0,0,0,1,1,0|2,0,0]=4 708 B10R1.113 O=C1CNC[C@H](C(=O)O)N1 Amb27398104 [0,0,0,1,1,0|2,0,0]=4 709 B10R1.113 O=C1COCC(C(=O)O)N1 Amb18862478 [0,0,0,1,1,0|1,1,0]=4 710 B10R1.113 O=C1COCC(C(=O)O)O1 Amb27209316 [0,0,0,1,1,0|0,1,0]=3 711 B10R1.113 O=C1COC[C@@H](C(=O)O)N1 Amb27164013 [0,0,0,1,1,0|1,1,0]=4 712 B10R1.113 O=C1CSCC(C(=O)O)N1 Amb2693036 [0,0,0,1,1,0|1,0,0]=3 713 B10R1.113 O=C1CSC[C@@H](C(=O)O)N1 Amb26516534 [0,0,0,1,1,0|1,0,0]=3 714 B10R1.113 O=C1CSC[C@H](C(=O)O)N1 Amb27667984 [0,0,0,1,1,0|1,0,0]=3 715 B10R1.113 O=C1NC(C(=O)O)CCO1 Amb28121893 [0,0,0,1,1,0|2,0,0]=4 716 B10R1.113 O=C1NC(C(=O)O)CCS1 Amb28342373 [0,0,0,1,1,0|2,0,0]=4 717 B10R1.128 CC1(O)CCCC1C(=O)O Amb27617025 [0,0,0,1,1,0|1,0,1]=4 718 B10R1.128 C[P@@]1(=O)CCC[C@@H]1C(=O)O Amb28457431 [0,0,0,1,1,0|2,0,0]=4 719 B10R1.128 O=C(O)C1CCCS1(=O)=O Amb22886525 [0,0,0,1,1,0|1,0,1]=4 720 B10R1.351 O=C(O)CC1CCS1(=O)=O Amb28435286 [0,0,0,1,1,0|1,0,1]=4 721 B10R1.361 CC(=O)C1CCC1C(N)=O Amb26003688 [0,0,0,1,1,0|2,0,0]=4 722 B10R1.361 CC(=O)N1CCC1C(=O)O Amb24077473 [0,0,0,1,1,0|2,0,0]=4 723 B10R1.361 CC(=O)[C@H]1CC[C@@H]1C(=O)O Amb28252580 [0,0,0,1,1,0|1,0,0]=3 724 B10R1.361 CC(=O)[C@H]1CC[C@@H]1C(N)=O Amb27436143 [0,0,0,1,1,0|2,0,0]=4 725 B10R1.361 CC(=O)[C@H]1CC[C@H]1C(C)=O Amb28461217 [0,0,0,1,1,0|2,0,0]=4 726 B10R1.361 NC(=O)C1CCC1C(=O)O Amb26027341 [0,0,0,1,1,0|1,0,0]=3 727 B10R1.361 NC(=O)C1CCC1C(N)=O Amb25211720 [0,0,0,1,1,0|2,0,0]=4 728 B10R1.361 NC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb27216173 [0,0,0,1,1,0|1,0,0]=3 729 B10R1.361 NC(=O)[C@@H]1CC[C@H]1C(=O)O Amb24366239 [0,0,0,1,1,0|1,0,0]=3 730 B10R1.361 O=C(Cl)C1CCC1C(=O)Cl Amb22230444 [0,0,0,1,1,0|2,0,0]=4 731 B10R1.361 O=C(O)C1=C(C(=O)O)CC1 Amb24615623 [0,0,0,1,1,0|0,0,2]=4 732 B10R1.361 O=C(O)C1CCC1C(=O)Cl Amb24753887 [0,0,0,1,1,0|1,0,0]=3 733 B10R1.361 O=C(O)C1CCC1C(=O)O Amb19373431 [0,0,0,1,1,0|0,0,0]=2 734 B10R1.361 O=C(O)[C@@H]1C=C[C@H]1C(=O)O Amb27469606 [0,0,0,1,1,0|0,0,2]=4 735 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Amb2609028 [0,0,0,1,1,0|0,0,0]=2 736 B10R1.361 O=C(O)[C@@H]1CN[C@H]1C(=O)O Amb25956288 [0,0,0,1,1,0|1,0,0]=3 737 B10R1.361 O=C(O)[C@H]1C=C[C@H]1C(=O)O Amb27831905 [0,0,0,1,1,0|0,0,2]=4 738 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O Amb25267014 [0,0,0,1,1,0|0,0,0]=2 739 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O Amb16230761 [0,0,0,1,1,0|0,0,0]=2 740 B10R1.361 O=C(O)[C@H]1CN[C@@H]1C(=O)O Amb25225066 [0,0,0,1,1,0|1,0,0]=3 741 B10R1.361 O=C(O)[C@H]1NC[C@H]1C(=O)O Amb26967619 [0,0,0,1,1,0|1,0,0]=3 742 B10R1.368 CC(=O)NC1CC1C(=O)O Amb18831601 [0,0,0,1,1,0|2,0,0]=4 743 B10R1.368 O=C(O)CC1OC1C(=O)O Amb28146420 [0,0,0,1,1,0|0,1,0]=3 744 B10R1.368 O=C(O)C[C@@H]1O[C@@H]1C(=O)O Amb27254162 [0,0,0,1,1,0|0,1,0]=3 745 B10R1.368 O=C(O)\C=C1\CC1C(=O)O Amb27216810 [0,0,0,1,1,0|0,0,2]=4 746 B12R1.105 O=C(O)CCCC1CCC(=O)N1 Amb18825449 [0,0,0,1,0,1|2,0,0]=4 747 B12R1.226 O=C(O)CCC1=CC(=O)CCC1 Amb27444607 [0,0,0,1,0,1|2,0,0]=4 748 B12R1.226 O=C(O)CCC1CCCC(=O)C1 Amb18647388 [0,0,0,1,0,1|2,0,0]=4 749 B12R1.226 O=C(O)CCC1CCCC(=O)N1 Amb18825448 [0,0,0,1,0,1|2,0,0]=4 750 B12R1.226 O=C(O)CCN1CCNC(=O)C1 Amb6615282 [0,0,0,1,0,1|2,0,0]=4 751 B12R1.261 CC(=O)C1CCCCC1C(=O)O Amb25966565 [0,0,0,1,0,1|2,0,0]=4 752 B12R1.261 CC(=O)N1CCCCC1C(=O)O Amb9703955 [0,0,0,1,0,1|2,0,0]=4 753 B12R1.261 CC(=O)N1CCCC[C@@H]1C(=O)O Amb25715695 [0,0,0,1,0,1|2,0,0]=4 754 B12R1.261 CC(=O)N1CCOCC1C(=O)O Amb33547760 [0,0,0,1,0,1|1,1,0]=4 755 B12R1.261 CC(=O)N1CCSCC1C(N)=O Amb27802053 [0,0,0,1,0,1|2,0,0]=4 756 B12R1.261 CC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O Amb27848568 [0,0,0,1,0,1|2,0,0]=4 757 B12R1.261 CC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Amb27632423 [0,0,0,1,0,1|2,0,0]=4 758 B12R1.261 CC(=O)[C@H]1CC=CC[C@@H]1C(=O)O Amb28129545 [0,0,0,1,0,1|2,0,0]=4 759 B12R1.261 CC(=O)[C@H]1CCCC[C@@H]1C(=O)O Amb27965025 [0,0,0,1,0,1|2,0,0]=4 760 B12R1.261 CS(=O)N1CCSCC1C(=O)O Amb27431930 [0,0,0,1,0,1|2,0,0]=4 761 B12R1.261 NC(=O)C1CCCCC1C(=O)O Amb2732939 [0,0,0,1,0,1|2,0,0]=4 762 B12R1.261 NC(=O)N1CCCCC1C(=O)O Amb9705058 [0,0,0,1,0,1|2,0,0]=4 763 B12R1.261 NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O Amb27944862 [0,0,0,1,0,1|2,0,0]=4 764 B12R1.261 NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O Amb22737175 [0,0,0,1,0,1|2,0,0]=4 765 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Amb25225612 [0,0,0,1,0,1|2,0,0]=4 766 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O Amb22737172 [0,0,0,1,0,1|2,0,0]=4 767 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O Amb22737173 [0,0,0,1,0,1|2,0,0]=4 768 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O Amb28052093 [0,0,0,1,0,1|2,0,0]=4 769 B12R1.261 O=C(O)C1=CCCCC1C(=O)O Amb28436879 [0,0,0,1,0,1|1,0,1]=4 770 B12R1.261 O=C(O)C1CC=CCC1C(=O)O Amb4006794 [0,0,0,1,0,1|1,0,0]=3 771 B12R1.261 O=C(O)C1CCCCC1C(=O)O Amb2555292 [0,0,0,1,0,1|1,0,0]=3 772 B12R1.261 O=C(O)C1CCCC[C@@H]1C(=O)O Amb27445486 [0,0,0,1,0,1|1,0,0]=3 773 B12R1.261 O=C(O)C1CCCC[C@H]1C(=O)O Amb25329514 [0,0,0,1,0,1|1,0,0]=3 774 B12R1.261 O=C(O)C1CCCNC1C(=O)O Amb8393086 [0,0,0,1,0,1|1,0,0]=3 775 B12R1.261 O=C(O)C1CCNCC1C(=O)O Amb26371620 [0,0,0,1,0,1|1,0,0]=3 776 B12R1.261 O=C(O)C1CCNCC1C(=O)O Amb28653060 [0,0,0,1,0,1|1,0,0]=3 777 B12R1.261 O=C(O)C1CCSCC1C(=O)O Amb27445067 [0,0,0,1,0,1|0,0,0]=2 778 B12R1.261 O=C(O)C1OCCOC1C(=O)O Amb17594456 [0,0,0,1,0,1|2,0,0]=4 779 B12R1.261 O=C(O)[C@@H]1CC=CC[C@H]1C(=O)O Amb10606861 [0,0,0,1,0,1|1,0,0]=3 780 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O Amb30628538 [0,0,0,1,0,1|1,0,0]=3 781 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O Amb33523567 [0,0,0,1,0,1|1,0,0]=3 782 B12R1.261 O=C(O)[C@@H]1CCNC[C@@H]1C(=O)O Amb27477788 [0,0,0,1,0,1|1,0,0]=3 783 B12R1.261 O=C(O)[C@@H]1NCCN[C@H]1C(=O)O Amb8389051 [0,0,0,1,0,1|2,0,0]=4 784 B12R1.261 O=C(O)[C@H]1CC=CC[C@H]1C(=O)O Amb9826884 [0,0,0,1,0,1|1,0,0]=3 785 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O Amb3941630 [0,0,0,1,0,1|1,0,0]=3 786 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O Amb4012860 [0,0,0,1,0,1|1,0,0]=3 787 B12R1.261 O=C(O)[C@H]1CCCN[C@H]1C(=O)O Amb22800779 [0,0,0,1,0,1|1,0,0]=3 788 B12R1.261 O=C(O)[C@H]1NCCC[C@H]1C(=O)O Amb8631044 [0,0,0,1,0,1|1,0,0]=3 789 B12R1.261 O=C(O)[C@H]1OCCO[C@H]1C(=O)O Amb27407708 [0,0,0,1,0,1|2,0,0]=4 790 B12R1.392 CC(=O)C1CNCC1CC(=O)O Amb25674207 [0,0,0,1,0,1|2,0,0]=4 791 B12R1.392 CC(=O)C[C@@H]1CCCC1C(=O)O Amb28119794 [0,0,0,1,0,1|2,0,0]=4 792 B12R1.392 CC(=O)N[C@@H]1CCC[C@@H]1C(=O)O Amb26570377 [0,0,0,1,0,1|2,0,0]=4 793 B12R1.392 NC(=O)CN1CSCC1C(N)=O Amb27660292 [0,0,0,1,0,1|2,0,0]=4 794 B12R1.392 NC(=O)N[C@@H]1CCC[C@@H]1C(=O)O Amb30040185 [0,0,0,1,0,1|2,0,0]=4 795 B12R1.392 O=C(O)CC1=C(C(=O)O)CCC1 Amb24697653 [0,0,0,1,0,1|1,0,1]=4 796 B12R1.392 O=C(O)CC1CCCC1C(=O)O Amb26371587 [0,0,0,1,0,1|1,0,0]=3 797 B12R1.392 O=C(O)CN1CCCC1C(=O)O Amb24537597 [0,0,0,1,0,1|1,0,0]=3 798 B12R1.392 O=C(O)CN1CCC[C@@H]1C(=O)O Amb27854156 [0,0,0,1,0,1|1,0,0]=3 799 B12R1.392 O=C(O)C[C@@H]1CNN[C@H]1C(=O)O Amb27858487 [0,0,0,1,0,1|2,0,0]=4 800 B12R1.392 O=C(O)C[C@H]1CCN[C@H]1C(=O)O Amb27659001 [0,0,0,1,0,1|1,0,0]=3 801 B12R1.874 O=C(O)CC1CCCCC(=O)N1 Amb26051590 [0,0,0,1,0,1|2,0,0]=4 802 B12R1.874 O=C(O)CC1CCCNC(=O)C1 Amb25322054 [0,0,0,1,0,1|2,0,0]=4 803 B12R1.1011 O=C1CCCCCC(C(=O)O)C1 Amb25187509 [0,0,0,1,0,1|2,0,0]=4 804 B12R1.1011 O=C1CCSCCC(C(=O)O)N1 Amb27166504 [0,0,0,1,0,1|1,0,0]=3 805 B12R1.1011 O=C1CCSCC[C@H](C(=O)O)N1 Amb28198021 [0,0,0,1,0,1|1,0,0]=3 806 B12R1.1804 NC(=O)C1CCN1CCC(=O)O Amb33251344 [0,0,0,1,0,1|2,0,0]=4 807 B12R1.389 CC(=O)CC1N[C@H](C(=O)O)CS1 Amb27865572 [0,1,0,1,0,0|1,0,0]=3 808 B12R1.389 O=C(O)CC1CCC(C(=O)O)N1 Amb27794812 [0,1,0,1,0,0|1,0,0]=3 809 B12R1.389 O=C(O)CC1CNC(C(=O)O)C1 Amb27777232 [0,1,0,1,0,0|2,0,0]=4 810 B12R1.389 O=C(O)CC1NC[C@@H](C(=O)O)N1 Amb27664056 [0,1,0,1,0,0|1,0,0]=3 811 B12R1.389 O=C(O)C[C@@H]1CC[C@H](C(=O)O)O1 Amb27210580 [0,1,0,1,0,0|1,0,0]=3 812 B12R1.389 O=C(O)C[C@@H]1CN[C@@H](C(=O)O)C1 Amb28074205 [0,1,0,1,0,0|2,0,0]=4 813 B12R1.389 O=C(O)C[C@@H]1CN[C@H](C(=O)O)C1 Amb27248428 [0,1,0,1,0,0|2,0,0]=4 814 B12R1.389 O=C(O)C[C@H]1CN[C@@H](C(=O)O)C1 Amb27783409 [0,1,0,1,0,0|2,0,0]=4 815 B12R1.389 O=C(O)C[C@H]1CN[C@H](C(=O)O)C1 Amb24606860 [0,1,0,1,0,0|2,0,0]=4 816 B12R1.498 CC(=O)N1C(C)SC[C@H]1C(=O)O Amb27484063 [0,1,0,1,0,0|2,0,0]=4 817 B12R1.498 CC(=O)[C@@H]1CC[C@@H](C)[C@@H]1C(=O)O Amb27858687 [0,1,0,1,0,0|2,0,0]=4 818 B12R1.498 CC(=O)[C@@H]1CC[C@@H](C)[C@H]1C(=O)O Amb27419921 [0,1,0,1,0,0|2,0,0]=4 819 B12R1.498 CC1SCC(C(=O)O)C1C(=O)O Amb28251154 [0,1,0,1,0,0|0,0,0]=2 820 B12R1.498 CC1SC[C@H](C(=O)O)[C@@H]1C(=O)O Amb27983746 [0,1,0,1,0,0|0,0,0]=2 821 B12R1.498 C[C@@H]1CC[C@@H](C(=O)O)[C@@H]1C(=O)O Amb27212341 [0,1,0,1,0,0|1,0,0]=3 822 B12R1.498 C[C@H]1CC[C@H](C(=O)O)[C@H]1C(=O)O Amb27637694 [0,1,0,1,0,0|1,0,0]=3 823 B12R1.1257 CC1(CC(=O)O)CCCC(=O)C1 Amb18647356 [0,1,0,1,0,0|2,0,0]=4 824 B12R1.1257 C[C@@]1(CC(=O)O)CCCC(=O)C1 Amb25144060 [0,1,0,1,0,0|2,0,0]=4 825 B12R1.1825 CC(=O)C1CCC1(C)CC(=O)O Amb25100970 [0,1,0,1,0,0|2,0,0]=4 826 B12R1.1825 CC(=O)[C@H]1CC[C@@]1(C)CC(=O)O Amb27634818 [0,1,0,1,0,0|2,0,0]=4 827 B12R1.19 CC1CCC(CC(=O)O)CC1=O Amb27392274 [0,1,0,1,0,0|2,0,0]=4 828 B12R1.110 CC1N=C(CCC(=O)O)OC1=O Amb26060571 [0,1,0,1,0,0|2,0,0]=4 829 B12R1.110 CN1CC(CCC(=O)O)OC1=O Amb28369715 [0,1,0,1,0,0|2,0,0]=4 830 B12R1.110 O=C(O)CCC1CC(=O)C(=O)O1 Amb27657618 [0,1,0,1,0,0|1,0,1]=4 831 B12R1.110 O=C(O)CCC1CC(O)C(=O)N1 Amb27985830 [0,1,0,1,0,0|2,0,0]=4 832 B12R1.225 CC(C(=O)O)N1CCCC(=O)O1 Amb28195213 [0,1,0,1,0,0|2,0,0]=4 833 B12R1.225 NC(C(=O)O)C1CCCC(=O)C1 Amb25310755 [0,1,0,1,0,0|2,0,0]=4 834 B12R1.225 N[C@@H](C(=O)O)C1CCCC(=O)C1 Amb26505072 [0,1,0,1,0,0|2,0,0]=4 835 B12R1.225 N[C@H](C(=O)O)C1CCCC(=O)C1 Amb28244348 [0,1,0,1,0,0|2,0,0]=4 836 B12R1.258 CC(=O)C1CCCC(C(=O)O)C1 Amb27864031 [0,1,0,1,0,0|2,0,0]=4 837 B12R1.258 NC(=O)C1CCCC(C(=O)O)C1 Amb33541891 [0,1,0,1,0,0|2,0,0]=4 838 B12R1.258 O=C(O)C1=CC(C(=O)O)CCC1 Amb25065304 [0,1,0,1,0,0|1,0,1]=4 839 B12R1.258 O=C(O)C1=CSCC(C(=O)O)N1 Amb2786677 [0,1,0,1,0,0|0,0,2]=4 840 B12R1.258 O=C(O)C1C=CCC(C(=O)O)C1 Amb25108620 [0,1,0,1,0,0|1,0,1]=4 841 B12R1.258 O=C(O)C1CCCC(C(=O)O)C1 Amb6456609 [0,1,0,1,0,0|1,0,0]=3 842 B12R1.258 O=C(O)C1CCCC(C(=O)O)N1 Amb5717460 [0,1,0,1,0,0|1,0,0]=3 843 B12R1.258 O=C(O)C1CNCC(C(=O)O)C1 Amb13885741 [0,1,0,1,0,0|1,0,0]=3 844 B12R1.258 O=C(O)C1CSCC(C(=O)O)N1 Amb18129889 [0,1,0,1,0,0|0,0,0]=2 845 B12R1.258 O=C(O)C1CSCC(C(=O)O)S1 Amb27947445 [0,1,0,1,0,0|0,0,0]=2 846 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](C(=O)O)C1 Amb24725578 [0,1,0,1,0,0|1,0,0]=3 847 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](C(=O)O)O1 Amb27853122 [0,1,0,1,0,0|1,0,0]=3 848 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C(=O)O)N1 Amb27165212 [0,1,0,1,0,0|1,0,0]=3 849 B12R1.258 O=C(O)[C@@H]1C[C@H](C(=O)O)CCN1 Amb13885721 [0,1,0,1,0,0|2,0,0]=4 850 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C(=O)O)C1 Amb6357922 [0,1,0,1,0,0|1,0,0]=3 851 B12R1.258 O=C(O)[C@H]1CCC[C@H](C(=O)O)C1 Amb22899260 [0,1,0,1,0,0|1,0,0]=3 852 B12R1.258 O=C(O)[C@H]1CCN[C@@H](C(=O)O)C1 Amb24672560 [0,1,0,1,0,0|2,0,0]=4 853 B12R1.258 O=C(O)[C@H]1CCN[C@H](C(=O)O)C1 Amb27204652 [0,1,0,1,0,0|2,0,0]=4 854 B12R1.258 O=C(O)[C@H]1CSC[C@H](C(=O)O)N1 Amb27984949 [0,1,0,1,0,0|0,0,0]=2 855 B12R1.1382 N[C@H](C(=O)O)C1CCC1C(=O)O Amb27756465 [0,1,0,1,0,0|1,0,0]=3 856 B12R1.1382 N[C@H](C(=O)O)[C@H]1CC[C@@H]1C(=O)O Amb28320747 [0,1,0,1,0,0|1,0,0]=3 857 B12R1.1382 O=C(O)C(=O)C1CCC1C(=O)O Amb27407841 [0,1,0,1,0,0|1,0,1]=4 858 B12R1.1388 CC1(C(=O)O)CCCC1C(=O)O Amb27444960 [0,1,0,1,0,0|1,0,0]=3 859 B12R1.1388 CC1(C(=O)O)CCNC1C(=O)O Amb28318757 [0,1,0,1,0,0|2,0,0]=4 860 B12R1.1388 C[C@]1(C(=O)O)CCN[C@@H]1C(=O)O Amb27808706 [0,1,0,1,0,0|2,0,0]=4 861 B12R1.1388 N[C@]1(C(=O)O)CCC[C@@H]1C(=O)O Amb27236998 [0,1,0,1,0,0|1,0,0]=3 862 B12R1.1388 N[C@]1(C(=O)O)CCC[C@H]1C(=O)O Amb25089845 [0,1,0,1,0,0|1,0,0]=3 863 B12R1.1388 O=C(O)C1CNCC1(F)C(=O)O Amb33231765 [0,1,0,1,0,0|1,0,0]=3 864 B12R1.2709 CC1(C(=O)O)CCCCC(=O)N1 Amb22641232 [0,1,0,1,0,0|2,0,0]=4 865 B12R1.263 O=C(O)C1CCCC1S(=O)(=O)O Amb35705408 [0,1,0,1,0,0|2,0,0]=4 866 B12R1.21 O=C(O)CCC1=NN=C(O)CC1 Amb19864608 [0,1,0,1,0,0|2,0,0]=4 867 B12R1.21 O=C(O)CCC1=NNC(=O)CC1 Amb656849 [0,1,0,1,0,0|2,0,0]=4 868 B12R1.21 O=C(O)CCC1CCC(=O)CC1 Amb23453163 [0,1,0,1,0,0|2,0,0]=4 869 B12R1.21 O=C(O)CCC1CCC(=O)NC1 Amb16233457 [0,1,0,1,0,0|2,0,0]=4 870 B12R1.127 CC1CCC(=O)CC1CC(=O)O Amb26841119 [0,1,0,1,0,0|2,0,0]=4 871 B12R1.127 O=C(O)CC1CC(=O)CCC1O Amb28343109 [0,1,0,1,0,0|2,0,0]=4 872 B12R1.850 C=C1CC(C(=O)O)C(C(=O)O)C1 Amb8395539 [0,1,0,1,0,0|1,0,0]=3 873 B12R1.850 C=C1C[C@@H](C(=O)O)[C@H](C(=O)O)C1 Amb27776829 [0,1,0,1,0,0|1,0,0]=3 874 B12R1.850 CC1CC(C(=O)O)C(C(=O)O)C1 Amb25246178 [0,1,0,1,0,0|1,0,0]=3 875 B12R1.850 CN1C[C@H](C(=O)O)[C@@H](C(=O)O)C1 Amb29848535 [0,1,0,1,0,0|1,0,0]=3 876 B12R1.850 C[C@@H]1C[C@H](C(=O)O)[C@@H](C(=O)O)N1 Amb28256740 [0,1,0,1,0,0|2,0,0]=4 877 B12R1.850 C[C@H]1C[C@@H](C(=O)O)[C@@H](C(=O)O)N1 Amb27437188 [0,1,0,1,0,0|2,0,0]=4 878 B12R1.850 O=C(O)[C@@H]1CC(O)C[C@H]1C(=O)O Amb28193731 [0,1,0,1,0,0|1,0,0]=3 879 B12R1.850 O=C(O)[C@@H]1CS(=O)C[C@H]1C(=O)O Amb27789840 [0,1,0,1,0,0|0,0,1]=3 880 B12R1.850 O=C1CC(C(=O)O)C(C(=O)O)C1 Amb8395543 [0,1,0,1,0,0|1,0,0]=3 881 B12R1.850 O=C1CC(C(=O)O)C(C(=O)O)O1 Amb17678843 [0,1,0,1,0,0|2,0,0]=4 882 B12R1.850 O=C1CC(C(=O)O)[C@H](C(=O)O)C1 Amb27793186 [0,1,0,1,0,0|1,0,0]=3 883 B12R1.850 O=C1CC(C(=O)O)[C@H](C(=O)O)N1 Amb28343140 [0,1,0,1,0,0|2,0,0]=4 884 B12R1.850 O=C1C[C@@H](C(=O)O)[C@H](C(=O)O)C1 Amb25168932 [0,1,0,1,0,0|1,0,0]=3 885 B12R1.3799 CC1(CCC(=O)O)CCC(=O)N1 Amb18647481 [0,1,0,1,0,0|2,0,0]=4 886 B12R1.50 COC(=O)CC1CCCC(=O)C1 Amb4006028 [0,1,0,1,0,0|2,0,0]=4 887 B12R1.368 CCC(=O)N1CSCC1C(=O)O Amb9716718 [0,1,0,1,0,0|2,0,0]=4 888 B12R1.368 CCC(=O)N1CSC[C@@H]1C(=O)O Amb10086463 [0,1,0,1,0,0|2,0,0]=4 889 B12R1.368 CCC(=O)N1CSC[C@H]1C(=O)O Amb25187487 [0,1,0,1,0,0|2,0,0]=4 890 B12R1.368 CCC(=O)[C@H]1CCC[C@H]1C(=O)O Amb28052142 [0,1,0,1,0,0|2,0,0]=4 891 B12R1.368 CNC(=O)C1CCCC1C(=O)O Amb27853307 [0,1,0,1,0,0|2,0,0]=4 892 B12R1.368 CNC(=O)[C@@H]1CCC[C@@H]1C(=O)O Amb27951176 [0,1,0,1,0,0|2,0,0]=4 893 B12R1.368 COC(=O)C1CCCC1C(=O)Cl Amb25233070 [0,1,0,1,0,0|2,0,0]=4 894 B12R1.368 COC(=O)C1CCCC1C(=O)O Amb18647593 [0,1,0,1,0,0|1,0,0]=3 895 B12R1.368 COC(=O)C1CCOC1C(=O)O Amb26883139 [0,1,0,1,0,0|2,0,0]=4 896 B12R1.368 COC(=O)C1COCC1C(=O)O Amb27456477 [0,1,0,1,0,0|0,1,0]=3 897 B12R1.368 COC(=O)C1CSCN1C(=O)Cl Amb24066680 [0,1,0,1,0,0|2,0,0]=4 898 B12R1.368 COC(=O)C1CSCN1C(C)=O Amb24430948 [0,1,0,1,0,0|2,0,0]=4 899 B12R1.368 COC(=O)N1CCCC1C(=O)O Amb9735787 [0,1,0,1,0,0|2,0,0]=4 900 B12R1.368 COC(=O)N1CCC[C@@H]1C(=O)O Amb18789948 [0,1,0,1,0,0|2,0,0]=4 901 B12R1.368 COC(=O)N1CCC[C@H]1C(=O)O Amb24736753 [0,1,0,1,0,0|2,0,0]=4 902 B12R1.368 COC(=O)N1CSC[C@@H]1C(=O)O Amb29848858 [0,1,0,1,0,0|1,0,0]=3 903 B12R1.368 COC(=O)[C@@H]1CCC[C@@H]1C(=O)O Amb33524017 [0,1,0,1,0,0|1,0,0]=3 904 B12R1.368 COC(=O)[C@@H]1CCC[C@H]1C(=O)O Amb6299715 [0,1,0,1,0,0|1,0,0]=3 905 B12R1.368 COC(=O)[C@@H]1CCN[C@@H]1C(=O)O Amb27489094 [0,1,0,1,0,0|2,0,0]=4 906 B12R1.368 COC(=O)[C@@H]1CSCN1C(=O)Cl Amb24539381 [0,1,0,1,0,0|2,0,0]=4 907 B12R1.368 COC(=O)[C@H]1CCC[C@@H]1C(=O)O Amb26397442 [0,1,0,1,0,0|1,0,0]=3 908 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)Cl Amb26586217 [0,1,0,1,0,0|2,0,0]=4 909 B12R1.368 COC(=O)[C@H]1CNC[C@@H]1C(=O)O Amb28457484 [0,1,0,1,0,0|1,0,0]=3 910 B12R1.368 O=C(O)C1CCCN1C(=O)CO Amb27754187 [0,1,0,1,0,0|2,0,0]=4 911 B12R1.368 O=C(O)C1CSCN1C(=O)CCl Amb26595073 [0,1,0,1,0,0|2,0,0]=4 912 B12R1.870 CN1C(=O)CCC1CCC(=O)O Amb8010014 [0,1,0,1,0,0|2,0,0]=4 913 B12R1.870 CN1C(=O)CCN1CCC(=O)O Amb27612974 [0,1,0,1,0,0|2,0,0]=4 914 B12R1.876 CN1C(=O)CCCCC1C(=O)O Amb23590304 [0,1,0,1,0,0|2,0,0]=4 915 B12R1.1657 COC(=O)C1CCCCC(=O)C1 Amb21962582 [0,1,0,1,0,0|2,0,0]=4 916 B12R1.1657 COC(=O)C1COCCC(=O)N1 Amb27658822 [0,1,0,1,0,0|1,1,0]=4 917 B12R1.1657 COC(=O)C1CSCCC(=O)N1 Amb28239453 [0,1,0,1,0,0|1,0,0]=3 918 B12R1.1657 COC(=O)[C@@H]1COCCC(=O)N1 Amb28399275 [0,1,0,1,0,0|1,1,0]=4 919 B12R1.1657 O=C1CCCCC(C(=O)NO)N1 Amb27660364 [0,1,0,1,0,0|2,0,0]=4 920 B12R2.606 O=C1CCC2OC(=O)CC2C1 Amb17593843 [0,0,0,2,0,0|2,0,0]=4 921 B12R2.617 O=C(O)C1CC2CCC(=O)N21 Amb27617494 [0,0,0,2,0,0|2,0,0]=4 922 B12R2.617 O=C(O)[C@@H]1C[C@@H]2CCC(=O)N21 Amb27645336 [0,0,0,2,0,0|2,0,0]=4 923 B12R2.617 O=C(O)[C@@H]1C[C@H]2CCC(=O)N12 Amb28436870 [0,0,0,2,0,0|2,0,0]=4 924 B12R2.1080 O=C1CC2C(CC2C(=O)O)O1 Amb27184088 [0,0,0,2,0,0|1,0,0]=3 925 B12R2.1145 O=C(O)C1CC2CC(=O)C1C2 Amb22372042 [0,0,0,2,0,0|2,0,0]=4 926 B12R2.1145 O=C(O)C1CC2CC1C(=O)O2 Amb24443016 [0,0,0,2,0,0|1,0,0]=3 927 B12R2.1145 O=C(O)C1C[C@@H]2CC(=O)[C@H]1C2 Amb26479994 [0,0,0,2,0,0|2,0,0]=4 928 B12R2.1145 O=C(O)C1C[C@H]2CC(=O)[C@@H]1C2 Amb26982409 [0,0,0,2,0,0|2,0,0]=4 929 B12R2.1145 O=C(O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 Amb23439478 [0,0,0,2,0,0|1,0,0]=3 930 B12R2.1145 O=C(O)[C@H]1C[C@@H]2C[C@H]1C(=O)O2 Amb22262945 [0,0,0,2,0,0|1,0,0]=3 931 B12R2.1145 O=C(O)[C@H]1C[C@H]2C[C@@H]1C(=O)O2 Amb27237451 [0,0,0,2,0,0|1,0,0]=3 932 B12R2.1168 O=C1CCC2(CCC(=O)O2)O1 Amb3940409 [0,0,0,2,0,0|1,0,0]=3 933 B12R2.2930 O=C1CC[C@@]2(C[C@H]2C(=O)O)N1 Amb27231515 [0,0,0,2,0,0|2,0,0]=4 934 B12R2.2456 O=C(O)C1CCC2CC(=O)C21 Amb16233344 [0,0,0,2,0,0|2,0,0]=4 935 B12R2.2456 O=C(O)C1COC2CC(=O)N21 Amb28250921 [0,0,0,2,0,0|1,1,0]=4 936 B12R2.2456 O=C(O)C1CSC2CC(=O)C21 Amb28384984 [0,0,0,2,0,0|1,0,0]=3 937 B12R2.2456 O=C(O)[C@H]1CC[C@@H]2CC(=O)[C@H]12 Amb25198926 [0,0,0,2,0,0|2,0,0]=4 938 B12R2.1085 O=C(O)C1C2CCCC(=O)C21 Amb27816456 [0,0,0,2,0,0|2,0,0]=4 939 B12R2.1085 O=C(O)[C@@H]1[C@H]2C(=O)CCC[C@@H]12 Amb26907624 [0,0,0,2,0,0|2,0,0]=4 940 B12R2.1085 O=C(O)[C@@H]1[C@H]2CCCC(=O)[C@H]21 Amb35745886 [0,0,0,2,0,0|2,0,0]=4 941 B12R2.1129 O=C(O)C1C2CC[C@@H]1C(=O)C2 Amb27407063 [0,0,0,2,0,0|2,0,0]=4 942 B12R2.1129 O=C(O)[C@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb27433899 [0,0,0,2,0,0|2,0,0]=4 943 B12R2.214 O=C1NC2CSCC1NC2=O Amb27173697 [0,0,0,2,0,0|2,0,0]=4 944 B12R2.214 O=C1N[C@H]2CSC[C@@H]1NC2=O Amb27850587 [0,0,0,2,0,0|2,0,0]=4 945 B12R2.765 O=C1N[C@@H](C(=O)O)[C@@H]2CC[C@H]12 Amb33803655 [0,0,0,2,0,0|2,0,0]=4 946 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [0,0,0,0,2,0|2,0,0]=4 947 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [0,0,0,0,2,0|2,0,0]=4 948 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [0,0,0,0,2,0|2,0,0]=4 949 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,0,0,0,2,0|1,0,0]=3 950 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [0,0,0,0,2,0|2,0,0]=4 951 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [0,0,0,0,2,0|2,0,0]=4 952 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [0,0,0,0,2,0|1,0,0]=3 953 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [0,0,0,0,2,0|1,0,1]=4 954 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [0,0,0,0,2,0|2,0,0]=4 955 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [0,0,0,0,2,0|2,0,0]=4 956 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [0,0,0,0,2,0|1,1,0]=4 957 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [0,0,0,0,2,0|2,0,0]=4 958 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [0,0,0,0,2,0|1,0,0]=3 959 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [0,0,0,0,2,0|1,0,1]=4 960 B8R0.28 CC(O)CSCC(=O)O Amb19005278 [0,0,0,0,2,0|1,0,1]=4 961 B8R0.28 N=C(N)CSCC(=O)O Amb28040821 [0,0,0,0,2,0|2,0,0]=4 962 B8R0.28 N=C(N)SCCC(=O)O Amb1043190 [0,0,0,0,2,0|2,0,0]=4 963 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [0,0,0,0,2,0|1,0,0]=3 964 B8R0.28 NC(=O)CCSC(N)=O Amb28045967 [0,0,0,0,2,0|2,0,0]=4 965 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [0,0,0,0,2,0|1,1,0]=4 966 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,0,0,0,2,0|1,0,0]=3 967 B8R0.28 NC(=O)CSCC(N)=O Amb6374270 [0,0,0,0,2,0|2,0,0]=4 968 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [0,0,0,0,2,0|2,0,0]=4 969 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [0,0,0,0,2,0|1,0,0]=3 970 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [0,0,0,0,2,0|1,1,0]=4 971 B8R0.28 NC(=S)SCCC(=O)O Amb4007391 [0,0,0,0,2,0|1,1,0]=4 972 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [0,0,0,0,2,0|2,0,0]=4 973 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [0,0,0,0,2,0|0,0,0]=2 974 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [0,0,0,0,2,0|1,0,1]=4 975 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [0,0,0,0,2,0|1,0,0]=3 976 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [0,0,0,0,2,0|0,1,0]=3 977 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [0,0,0,0,2,0|0,0,0]=2 978 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [0,0,0,0,2,0|0,0,2]=4 979 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [0,0,0,0,2,0|0,0,2]=4 980 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [0,0,0,0,2,0|0,1,1]=4 981 B12R0.268 CC(=O)CCCCCCCC(=O)O Amb17938671 [0,0,0,0,0,2|2,0,0]=4 982 B12R0.268 CC(=O)CCCCC\C=C\C(=O)O Amb2610938 [0,0,0,0,0,2|2,0,0]=4 983 B12R0.268 O=C(O)CCCCCCCC(=O)O Amb33550139 [0,0,0,0,0,2|1,0,0]=3 984 B12R0.268 O=C(O)CCCNCCCC(=O)O Amb30988047 [0,0,0,0,0,2|1,0,0]=3 985 B12R0.268 O=C(O)CCSCSCCC(=O)O Amb2725404 [0,0,0,0,0,2|0,0,0]=2 986 B12R0.268 O=C(O)CNCCCNCC(=O)O Amb22733453 [0,0,0,0,0,2|1,0,0]=3