0 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.55 CC(=O)CCCCC(C)C MCULE-8847308651 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.55 CC(=O)CCCCN(C)C MCULE-4549437072 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.55 CC(=O)NCCNC(=O)C MCULE-2725935578 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.55 CC(=O)NCCSC(=O)C MCULE-4148813739 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.55 CC(=O)OCCOC(=O)C MCULE-4333627796 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [0,0,0,0,0,0|2,0,0]=2 15 B9R0.55 CC(C)CCCCC(=O)N MCULE-5796308812 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [0,0,0,0,0,0|2,0,1]=3 17 B9R0.55 CC(C)CCOCC(=O)O MCULE-8263995178 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.55 CC(C)CCSCC(=O)O MCULE-6718693744 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.55 CC(C)CNCCC(=O)O MCULE-7021054047 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.55 CC(C)CNCCC(=O)O MCULE-7640501484 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.55 CC(C)COCCC(=O)O MCULE-6429199224 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.55 CC(C)CSCCC(=O)O MCULE-9529480904 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.55 CC(C)NCCCC(=O)O MCULE-4053268267 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.55 CC(C)NCCCC(=O)O MCULE-8505810240 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.55 CC(C)OCCCC(=O)O MCULE-8577811101 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.55 CC(C)SCCCC(=O)O MCULE-7082519548 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [0,0,0,0,0,0|2,0,1]=3 28 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [0,0,0,0,0,0|2,0,1]=3 29 B9R0.55 CN(C)CCCCC(=O)O MCULE-9080305665 [0,0,0,0,0,0|3,0,0]=3 30 B9R0.55 CN(C)CCCCC(=O)O MCULE-9325797900 [0,0,0,0,0,0|3,0,0]=3 31 B9R0.55 CN(C)CCNCC(=O)O MCULE-6551648059 [0,0,0,0,0,0|4,0,0]=4 32 B9R0.55 CN(C)CCNCC(=O)O MCULE-7040720736 [0,0,0,0,0,0|4,0,0]=4 33 B9R0.55 CN(C)CCOCC(=O)O MCULE-6117066964 [0,0,0,0,0,0|4,0,0]=4 34 B9R0.55 CN(C)CCSCC(=O)O MCULE-5970767298 [0,0,0,0,0,0|4,0,0]=4 35 B9R0.55 CN(C)CCSCC(=O)O MCULE-6364036095 [0,0,0,0,0,0|4,0,0]=4 36 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [0,0,0,0,0,0|3,0,0]=3 37 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [0,0,0,0,0,0|2,0,0]=2 38 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [0,0,0,0,0,0|1,0,0]=1 39 B9R0.55 NC(=O)CCCN=C(N)N MCULE-3216497199 [0,0,0,0,0,0|4,0,0]=4 40 B9R0.55 NC(=O)CCCN=C(N)N MCULE-6570668893 [0,0,0,0,0,0|4,0,0]=4 41 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [0,0,0,0,0,0|2,0,0]=2 43 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [0,0,0,0,0,0|2,0,0]=2 44 B9R0.55 O=C(Cl)CCCCC(=O)Cl MCULE-9846069486 [0,0,0,0,0,0|2,0,0]=2 45 B9R0.55 O=C(Cl)OCCOC(=O)Cl MCULE-1003608194 [0,0,0,0,0,0|4,0,0]=4 46 B9R0.55 O=C(O)/C=C/C=C/C(=O)O MCULE-6385818003 [0,0,0,0,0,0|0,0,4]=4 47 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [0,0,0,0,0,0|0,0,2]=2 48 B9R0.55 O=C(O)/C=C\C=C/C(=O)O MCULE-3782370049 [0,0,0,0,0,0|0,0,4]=4 49 B9R0.55 O=C(O)/C=C\C=C\C(=O)O MCULE-1285367069 [0,0,0,0,0,0|0,0,4]=4 50 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [0,0,0,0,0,0|0,0,2]=2 51 B9R0.55 O=C(O)C=CC=CC(=O)O MCULE-7565238801 [0,0,0,0,0,0|0,0,4]=4 52 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [0,0,0,0,0,0|0,0,2]=2 53 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [0,0,0,0,0,0|0,0,2]=2 54 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [0,0,0,0,0,0|0,0,0]=0 55 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [0,0,0,0,0,0|0,0,0]=0 56 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [0,0,0,0,0,0|0,0,0]=0 57 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [0,0,0,0,0,0|0,0,0]=0 58 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [0,0,0,0,0,0|0,0,0]=0 59 B9R0.55 O=C(O)CCCCC(F)F MCULE-4491962830 [0,0,0,0,0,0|2,0,1]=3 60 B9R0.55 O=C(O)CCOCC(F)F MCULE-5247096062 [0,0,0,0,0,0|3,0,1]=4 61 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [0,0,0,0,0,0|2,0,0]=2 62 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [0,0,0,0,0,0|2,0,0]=2 63 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [0,0,0,0,0,0|2,0,0]=2 64 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [0,0,0,0,0,0|0,0,1]=1 65 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [0,0,0,0,0,0|0,0,1]=1 66 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [0,0,0,0,0,0|0,0,1]=1 67 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [0,0,0,0,0,0|0,0,2]=2 68 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [0,0,0,0,0,0|0,0,2]=2 69 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [1,0,0,0,0,0|1,0,1]=3 70 B8R0.7 C#CCCOCC(=O)O MCULE-5200842540 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.7 C#CCOCCC(=O)O MCULE-9710662304 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.7 C=CCCCCB(O)O MCULE-5017277637 [1,0,0,0,0,0|2,0,1]=4 73 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [1,0,0,0,0,0|2,0,0]=3 74 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [1,0,0,0,0,0|1,0,0]=2 75 B8R0.7 C=CCCCCN(=O)=O MCULE-9629476544 [1,0,0,0,0,0|2,0,1]=4 76 B8R0.7 C=CCCCOC(=O)C MCULE-2972695808 [1,0,0,0,0,0|3,0,0]=4 77 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [1,0,0,0,0,0|2,0,0]=3 78 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [1,0,0,0,0,0|2,0,0]=3 79 B8R0.7 C=CCNCCC(=O)N MCULE-4087711448 [1,0,0,0,0,0|3,0,0]=4 80 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [1,0,0,0,0,0|2,0,0]=3 81 B8R0.7 CC#CCCCC(=O)O MCULE-2531382210 [1,0,0,0,0,0|1,0,2]=4 82 B8R0.7 CC(=O)CCCCC#N MCULE-2841814511 [1,0,0,0,0,0|2,0,1]=4 83 B8R0.7 CC(=O)CCCCCBr MCULE-8946921118 [1,0,0,0,0,0|2,0,1]=4 84 B8R0.7 CC(=O)CCCCCN MCULE-3568024595 [1,0,0,0,0,0|2,0,1]=4 85 B8R0.7 CC(=O)CCCCCN MCULE-9938894581 [1,0,0,0,0,0|2,0,1]=4 86 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [1,0,0,0,0,0|2,0,0]=3 87 B8R0.7 CC(=O)NCCCCO MCULE-5119895862 [1,0,0,0,0,0|2,0,1]=4 88 B8R0.7 CC(=O)OCCCCO MCULE-7064721476 [1,0,0,0,0,0|2,0,1]=4 89 B8R0.7 CC(C)CCCCC=O MCULE-9268976664 [1,0,0,0,0,0|2,0,1]=4 90 B8R0.7 CC=CCCCC(=O)C MCULE-7957571875 [1,0,0,0,0,0|2,0,1]=4 91 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [1,0,0,0,0,0|1,0,1]=3 92 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [1,0,0,0,0,0|2,0,1]=4 94 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [1,0,0,0,0,0|1,0,1]=3 96 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [1,0,0,0,0,0|1,0,2]=4 97 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [1,0,0,0,0,0|2,0,1]=4 98 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [1,0,0,0,0,0|2,0,1]=4 99 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [1,0,0,0,0,0|2,0,1]=4 100 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [1,0,0,0,0,0|2,0,1]=4 101 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [1,0,0,0,0,0|2,0,1]=4 102 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [1,0,0,0,0,0|2,0,1]=4 103 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [1,0,0,0,0,0|2,0,1]=4 104 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [1,0,0,0,0,0|2,0,1]=4 105 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [1,0,0,0,0,0|2,0,1]=4 106 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [1,0,0,0,0,0|2,0,1]=4 107 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [1,0,0,0,0,0|2,0,0]=3 108 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [1,0,0,0,0,0|2,0,0]=3 109 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [1,0,0,0,0,0|3,0,0]=4 110 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [1,0,0,0,0,0|2,0,0]=3 111 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [1,0,0,0,0,0|3,0,0]=4 112 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [1,0,0,0,0,0|3,0,0]=4 113 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [1,0,0,0,0,0|3,0,0]=4 114 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [1,0,0,0,0,0|3,0,0]=4 115 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [1,0,0,0,0,0|2,0,0]=3 116 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [1,0,0,0,0,0|3,0,0]=4 117 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [1,0,0,0,0,0|3,0,0]=4 118 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [1,0,0,0,0,0|3,0,0]=4 119 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [1,0,0,0,0,0|3,0,0]=4 120 B8R0.7 N#CCCCCC(=O)N MCULE-7791035164 [1,0,0,0,0,0|2,0,1]=4 121 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [1,0,0,0,0,0|1,0,1]=3 122 B8R0.7 N#CCCNCC(=O)O MCULE-9226456604 [1,0,0,0,0,0|2,0,1]=4 123 B8R0.7 N#N=NCCCC(=O)O MCULE-1397586704 [1,0,0,0,0,0|3,0,0]=4 124 B8R0.7 NC(=O)CCCCCBr MCULE-6938202710 [1,0,0,0,0,0|2,0,1]=4 125 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [1,0,0,0,0,0|1,0,1]=3 126 B8R0.7 NCCCCCC(=O)N MCULE-1692086577 [1,0,0,0,0,0|2,0,1]=4 127 B8R0.7 NCCCCCC(=O)N MCULE-2191237198 [1,0,0,0,0,0|2,0,1]=4 128 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [1,0,0,0,0,0|1,0,1]=3 129 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [1,0,0,0,0,0|1,0,1]=3 130 B8R0.7 NCCCCCC(=O)[O-] MCULE-7336458907 [1,0,0,0,0,0|1,0,2]=4 131 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [1,0,0,0,0,0|2,0,1]=4 132 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [1,0,0,0,0,0|2,0,1]=4 133 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [1,0,0,0,0,0|2,0,1]=4 134 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [1,0,0,0,0,0|2,0,1]=4 137 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [1,0,0,0,0,0|2,0,1]=4 138 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [1,0,0,0,0,0|2,0,0]=3 139 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [1,0,0,0,0,0|2,0,0]=3 140 B8R0.7 O=C(Cl)CCCCCBr MCULE-4314610726 [1,0,0,0,0,0|2,0,1]=4 141 B8R0.7 O=C(Cl)CCCCCCl MCULE-4526081631 [1,0,0,0,0,0|2,0,1]=4 142 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [1,0,0,0,0,0|1,0,1]=3 143 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [1,0,0,0,0,0|1,0,1]=3 144 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [1,0,0,0,0,0|1,0,1]=3 145 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [1,0,0,0,0,0|0,0,1]=2 146 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [1,0,0,0,0,0|0,1,1]=3 147 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [1,0,0,0,0,0|1,0,1]=3 148 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [1,0,0,0,0,0|2,0,1]=4 149 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [1,0,0,0,0,0|1,0,1]=3 150 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [1,0,0,0,0,0|1,1,1]=4 151 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [1,0,0,0,0,0|1,0,1]=3 152 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [1,0,0,0,0,0|2,0,1]=4 153 B8R0.7 O=C([O-])CCCCCCl MCULE-7341419838 [1,0,0,0,0,0|1,0,2]=4 154 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [1,0,0,0,0,0|0,0,2]=3 155 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [1,0,0,0,0,0|0,0,2]=3 156 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [1,0,0,0,0,0|0,0,0]=1 157 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [1,0,0,0,0,0|1,0,0]=2 158 B8R0.7 O=N(=O)CCCCCO MCULE-8742649710 [1,0,0,0,0,0|1,0,2]=4 159 B10R0.15 CC(=O)NCCCS(=O)(=O)O MCULE-7054277430 [0,1,0,0,0,0|3,0,0]=4 160 B10R0.15 CC(C)(C)CCCCC(=O)O MCULE-8286567269 [0,1,0,0,0,0|2,0,1]=4 161 B10R0.15 CS(=O)(=O)NCCCC(=O)O MCULE-9615507449 [0,1,0,0,0,0|2,0,1]=4 162 B10R0.15 CS(=O)(=S)OCCCC(=O)O MCULE-1884275676 [0,1,0,0,0,0|2,1,0]=4 163 B10R0.15 C[Si](C)(C)CCCCC(=O)O MCULE-8618985909 [0,1,0,0,0,0|2,1,0]=4 164 B10R0.15 NC(=O)CNCCS(=O)(=O)O MCULE-4191456438 [0,1,0,0,0,0|3,0,0]=4 165 B10R0.15 NS(=O)(=O)NCCCC(=O)O MCULE-4104736072 [0,1,0,0,0,0|2,0,1]=4 166 B10R0.15 O=C(O)CCCCC(F)(F)F MCULE-8060628423 [0,1,0,0,0,0|2,0,1]=4 167 B10R0.15 O=C(O)CCCCP(=O)(O)O MCULE-9230270330 [0,1,0,0,0,0|1,0,0]=2 168 B10R0.55 C=CC(=O)NCCCC(=O)O MCULE-4876378657 [0,1,0,0,0,0|2,0,0]=3 169 B10R0.55 CCC(=O)CCCCC(=O)O MCULE-8497826453 [0,1,0,0,0,0|1,0,0]=2 170 B10R0.55 CCC(=O)NCCCC(=O)O MCULE-4434353680 [0,1,0,0,0,0|2,0,0]=3 171 B10R0.55 CCC(C)CCCCC(=O)O MCULE-5735580085 [0,1,0,0,0,0|2,0,1]=4 172 B10R0.55 CNC(=O)CCCCC(=O)O MCULE-3369426299 [0,1,0,0,0,0|1,0,0]=2 173 B10R0.55 COC(=O)CCCCC(=O)C MCULE-8144817566 [0,1,0,0,0,0|1,0,0]=2 174 B10R0.55 COC(=O)CCCCC(=O)Cl MCULE-8505175389 [0,1,0,0,0,0|1,0,0]=2 175 B10R0.55 COC(=O)CCCCC(=O)O MCULE-2104484744 [0,1,0,0,0,0|0,0,0]=1 176 B10R0.55 COC(=O)CCCCN(=O)=O MCULE-6729844099 [0,1,0,0,0,0|1,0,1]=3 177 B10R0.55 COC(=O)CSCCC(=S)N MCULE-7692304295 [0,1,0,0,0,0|2,1,0]=4 178 B10R0.55 COC(=O)NCCCC(=O)O MCULE-4986877538 [0,1,0,0,0,0|1,0,0]=2 179 B10R0.55 NCC(=O)NCCCC(=O)O MCULE-6161493754 [0,1,0,0,0,0|2,0,0]=3 180 B10R0.55 O=C(O)CCCNC(=O)CCl MCULE-4514491154 [0,1,0,0,0,0|2,0,0]=3 181 B10R0.96 CC(=O)CC(=O)CCC(=O)O MCULE-6445854186 [0,1,0,0,0,0|1,0,1]=3 182 B10R0.96 CC(=O)CC(=O)NCC(=O)O MCULE-8793325864 [0,1,0,0,0,0|2,0,1]=4 183 B10R0.96 CC(C)CCC(C)CC(=O)O MCULE-4888752092 [0,1,0,0,0,0|2,0,1]=4 184 B10R0.96 CC(CCC(=O)O)CC(=O)O MCULE-7386549049 [0,1,0,0,0,0|0,0,0]=1 185 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-1721699813 [0,1,0,0,0,0|0,0,0]=1 186 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-7525360323 [0,1,0,0,0,0|0,0,0]=1 187 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-3003314518 [0,1,0,0,0,0|1,0,0]=2 188 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-7683510788 [0,1,0,0,0,0|1,0,0]=2 189 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8316748928 [0,1,0,0,0,0|1,0,0]=2 190 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8667775229 [0,1,0,0,0,0|1,0,0]=2 191 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-2836546299 [0,1,0,0,0,0|1,0,0]=2 192 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4298371176 [0,1,0,0,0,0|1,0,0]=2 193 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4441176096 [0,1,0,0,0,0|1,0,0]=2 194 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-5599562900 [0,1,0,0,0,0|1,0,0]=2 195 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8155260586 [0,1,0,0,0,0|0,0,0]=1 196 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8574900055 [0,1,0,0,0,0|0,0,0]=1 197 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-5068946859 [0,1,0,0,0,0|0,0,0]=1 198 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8151605170 [0,1,0,0,0,0|0,0,0]=1 199 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8505675120 [0,1,0,0,0,0|0,0,0]=1 200 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-9871725008 [0,1,0,0,0,0|0,0,0]=1 201 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-3923729315 [0,1,0,0,0,0|0,0,0]=1 202 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-6851763365 [0,1,0,0,0,0|0,0,0]=1 203 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,1,0,0,0,0|1,0,0]=2 204 B10R0.98 CC(=O)N(C)CCCC(=O)O MCULE-1764265267 [0,1,0,0,0,0|2,0,0]=3 205 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,1,0,0,0,0|2,0,0]=3 206 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,1,0,0,0,0|2,0,0]=3 207 B10R0.98 CC(=O)OCCC(Cl)C(=O)C MCULE-5825336009 [0,1,0,0,0,0|3,0,0]=4 208 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,1,0,0,0,0|2,0,0]=3 209 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,1,0,0,0,0|2,0,0]=3 210 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,1,0,0,0,0|2,0,0]=3 211 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,1,0,0,0,0|2,0,0]=3 212 B10R0.98 CC(C)CCCC(C)C(=O)O MCULE-3667108752 [0,1,0,0,0,0|2,0,1]=4 213 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-5699505174 [0,1,0,0,0,0|2,0,1]=4 214 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-8151358815 [0,1,0,0,0,0|2,0,1]=4 215 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-3341158972 [0,1,0,0,0,0|2,0,1]=4 216 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-6452147303 [0,1,0,0,0,0|2,0,1]=4 217 B10R0.98 CC(CCCC(=O)Cl)C(=O)Cl MCULE-7532082954 [0,1,0,0,0,0|2,0,0]=3 218 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-5130020295 [0,1,0,0,0,0|2,0,1]=4 219 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-6070288614 [0,1,0,0,0,0|2,0,1]=4 220 B10R0.98 CN(C)CCC[C@H](N)C(=O)O MCULE-9481059271 [0,1,0,0,0,0|3,0,0]=4 221 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-2234773343 [0,1,0,0,0,0|3,0,0]=4 222 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-9635728361 [0,1,0,0,0,0|3,0,0]=4 223 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-5360635274 [0,1,0,0,0,0|3,0,0]=4 224 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-7633853490 [0,1,0,0,0,0|3,0,0]=4 225 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,1,0,0,0,0|0,0,0]=1 226 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,1,0,0,0,0|0,0,0]=1 227 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,1,0,0,0,0|0,0,0]=1 228 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,1,0,0,0,0|1,0,0]=2 229 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,1,0,0,0,0|0,0,0]=1 230 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,1,0,0,0,0|0,0,0]=1 231 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,1,0,0,0,0|1,0,0]=2 232 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,1,0,0,0,0|1,0,0]=2 233 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,1,0,0,0,0|0,0,0]=1 234 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,1,0,0,0,0|0,0,0]=1 235 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,1,0,0,0,0|0,0,1]=2 236 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,1,0,0,0,0|0,0,0]=1 237 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,1,0,0,0,0|0,0,0]=1 238 B10R0.98 O=C(O)CONC(=O)C(=O)O MCULE-7932028761 [0,1,0,0,0,0|2,0,1]=4 239 B10R0.98 O=C([O-])CCCC(O)C(=O)[O-] MCULE-7990606586 [0,1,0,0,0,0|0,0,2]=3 240 B10R1.54 CC(=O)CC1CCC(=O)N1 MCULE-5590242632 [0,0,0,1,0,0|2,0,0]=3 241 B10R1.54 CC1=NN(CC1)CC(=O)O MCULE-8783102670 [0,0,0,1,0,0|3,0,0]=4 242 B10R1.54 CC1=NN(CC1)CC(=O)O MCULE-9676954551 [0,0,0,1,0,0|3,0,0]=4 243 B10R1.54 CC1CCC(C1)CC(=O)O MCULE-2712956835 [0,0,0,1,0,0|2,0,1]=4 244 B10R1.54 CC1CCC(O1)CC(=O)O MCULE-8857014749 [0,0,0,1,0,0|1,0,1]=3 245 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-6518175603 [0,0,0,1,0,0|3,0,0]=4 246 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-7858558191 [0,0,0,1,0,0|3,0,0]=4 247 B10R1.54 O=C(O)CC1=NC(=O)CS1 MCULE-1484851404 [0,0,0,1,0,0|2,0,1]=4 248 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-7161298106 [0,0,0,1,0,0|2,0,1]=4 249 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-8476180516 [0,0,0,1,0,0|2,0,1]=4 250 B10R1.54 O=C(O)CC1CCC(=O)C1 MCULE-8065311815 [0,0,0,1,0,0|1,0,0]=2 251 B10R1.54 O=C(O)CC1CCC(=O)N1 MCULE-4378271581 [0,0,0,1,0,0|1,0,0]=2 252 B10R1.54 O=C(O)CC1CCC(=O)O1 MCULE-3722776234 [0,0,0,1,0,0|0,0,0]=1 253 B10R1.54 O=C(O)CC1CCC(C1)O MCULE-1306554926 [0,0,0,1,0,0|1,0,1]=3 254 B10R1.54 O=C(O)CC1CNC(=O)C1 MCULE-1228415378 [0,0,0,1,0,0|2,0,0]=3 255 B10R1.54 O=C(O)CC1COC(=O)C1 MCULE-9024324984 [0,0,0,1,0,0|2,0,0]=3 256 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-1558139461 [0,0,0,1,0,0|2,0,0]=3 257 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-6202445610 [0,0,0,1,0,0|2,0,0]=3 258 B10R1.54 O=C(O)CN1CCC(C1)O MCULE-7707471649 [0,0,0,1,0,0|2,0,1]=4 259 B10R1.54 O=C(O)CN1CCC(C1)O MCULE-8936002282 [0,0,0,1,0,0|2,0,1]=4 260 B10R1.54 O=C(O)CN1CC[C@@H](C1)O MCULE-1249814394 [0,0,0,1,0,0|2,0,1]=4 261 B10R1.54 O=C(O)CN1CC[C@@H](C1)O MCULE-2140738871 [0,0,0,1,0,0|2,0,1]=4 262 B10R1.54 O=C(O)CN1CC[C@H](C1)O MCULE-4416769889 [0,0,0,1,0,0|2,0,1]=4 263 B10R1.54 O=C(O)CN1CC[C@H](C1)O MCULE-4926367147 [0,0,0,1,0,0|2,0,1]=4 264 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-5520496479 [0,0,0,1,0,0|2,0,1]=4 265 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-9606256613 [0,0,0,1,0,0|2,0,1]=4 266 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-2294433482 [0,0,0,1,0,0|1,0,0]=2 267 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-6637712682 [0,0,0,1,0,0|1,0,0]=2 268 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](C1)O MCULE-2394601749 [0,0,0,1,0,0|1,0,1]=3 269 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-1516021519 [0,0,0,1,0,0|2,0,1]=4 270 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-4246846585 [0,0,0,1,0,0|2,0,1]=4 271 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-5090681884 [0,0,0,1,0,0|2,0,1]=4 272 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-6554402545 [0,0,0,1,0,0|2,0,1]=4 273 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-8720083389 [0,0,0,1,0,0|2,0,1]=4 274 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-9359661762 [0,0,0,1,0,0|2,0,1]=4 275 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-1700675888 [0,0,0,1,0,0|1,0,0]=2 276 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-3179723751 [0,0,0,1,0,0|1,0,0]=2 277 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-1080082151 [0,0,0,1,0,0|1,0,0]=2 278 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-2947978966 [0,0,0,1,0,0|1,0,0]=2 279 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 MCULE-1807368276 [0,0,0,1,0,0|2,0,0]=3 280 B10R1.54 O=C1CCC(C1)CN(=O)=O MCULE-6321532833 [0,0,0,1,0,0|2,0,1]=4 281 B10R1.82 CC1CC(C1)CCC(=O)O MCULE-4964737509 [0,0,0,1,0,0|2,0,1]=4 282 B10R1.82 O=C(O)CCC1CC(=O)C1 MCULE-8509527472 [0,0,0,1,0,0|1,0,0]=2 283 B10R1.113 CC(=O)C1CCNC(=O)C1 MCULE-9774471516 [0,0,0,1,0,0|3,0,0]=4 284 B10R1.113 CC(=O)N1CCCC(=O)C1 MCULE-7455044173 [0,0,0,1,0,0|3,0,0]=4 285 B10R1.113 CC1=CCCC(C1)C(=O)O MCULE-1528958679 [0,0,0,1,0,0|2,0,1]=4 286 B10R1.113 CC1=NCCC(N1)C(=O)O MCULE-8417553503 [0,0,0,1,0,0|3,0,0]=4 287 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-2656568536 [0,0,0,1,0,0|3,0,0]=4 288 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-4918579312 [0,0,0,1,0,0|3,0,0]=4 289 B10R1.113 CC1CCCC(C1)C(=O)O MCULE-1709216331 [0,0,0,1,0,0|2,0,1]=4 290 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-2752928027 [0,0,0,1,0,0|2,0,1]=4 291 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7361502591 [0,0,0,1,0,0|2,0,1]=4 292 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7906995060 [0,0,0,1,0,0|2,0,1]=4 293 B10R1.113 CC1CCCC(O1)C(=O)O MCULE-2545962496 [0,0,0,1,0,0|1,0,1]=3 294 B10R1.113 CC1CNCC(O1)C(=O)O MCULE-4851002529 [0,0,0,1,0,0|2,0,1]=4 295 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-2577677138 [0,0,0,1,0,0|3,0,0]=4 296 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-9093982856 [0,0,0,1,0,0|3,0,0]=4 297 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3472059995 [0,0,0,1,0,0|3,0,0]=4 298 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3661518240 [0,0,0,1,0,0|3,0,0]=4 299 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-4244061094 [0,0,0,1,0,0|3,0,0]=4 300 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-1368409828 [0,0,0,1,0,0|3,0,0]=4 301 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-2079226353 [0,0,0,1,0,0|3,0,0]=4 302 B10R1.113 C[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-4534640450 [0,0,0,1,0,0|2,0,1]=4 303 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6827473516 [0,0,0,1,0,0|2,0,1]=4 304 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6916060172 [0,0,0,1,0,0|2,0,1]=4 305 B10R1.113 C[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2658835025 [0,0,0,1,0,0|2,0,1]=4 306 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-1640808929 [0,0,0,1,0,0|2,0,1]=4 307 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-5152957457 [0,0,0,1,0,0|2,0,1]=4 308 B10R1.113 C[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2151963828 [0,0,0,1,0,0|2,0,1]=4 309 B10R1.113 C[C@H]1CCC[C@H](C1)C(=O)O MCULE-9191189376 [0,0,0,1,0,0|2,0,1]=4 310 B10R1.113 NC(=O)C1CCCC(=O)C1 MCULE-3502536681 [0,0,0,1,0,0|2,0,0]=3 311 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-1721377644 [0,0,0,1,0,0|2,0,1]=4 312 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-3598251126 [0,0,0,1,0,0|2,0,1]=4 313 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5563204448 [0,0,0,1,0,0|2,0,1]=4 314 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5798146682 [0,0,0,1,0,0|2,0,1]=4 315 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-8105249419 [0,0,0,1,0,0|2,0,1]=4 316 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-9161171059 [0,0,0,1,0,0|2,0,1]=4 317 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2713838733 [0,0,0,1,0,0|2,0,1]=4 318 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2810146308 [0,0,0,1,0,0|2,0,1]=4 319 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-3141762073 [0,0,0,1,0,0|2,0,1]=4 320 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-6970045085 [0,0,0,1,0,0|2,0,1]=4 321 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-3283868687 [0,0,0,1,0,0|2,0,1]=4 322 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-5009823003 [0,0,0,1,0,0|2,0,1]=4 323 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-6716939610 [0,0,0,1,0,0|2,0,1]=4 324 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-8264766500 [0,0,0,1,0,0|2,0,1]=4 325 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-1016300044 [0,0,0,1,0,0|2,0,1]=4 326 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-2730367375 [0,0,0,1,0,0|2,0,1]=4 327 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3326410223 [0,0,0,1,0,0|2,0,1]=4 328 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3370817462 [0,0,0,1,0,0|2,0,1]=4 329 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3467671648 [0,0,0,1,0,0|2,0,1]=4 330 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-7929171022 [0,0,0,1,0,0|2,0,1]=4 331 B10R1.113 O=C(O)C1=CC(CCC1)O MCULE-3053514968 [0,0,0,1,0,0|1,0,2]=4 332 B10R1.113 O=C(O)C1=CS(=O)CCC1 MCULE-4974730957 [0,0,0,1,0,0|2,0,1]=4 333 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-2758341308 [0,0,0,1,0,0|2,0,1]=4 334 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-7585455422 [0,0,0,1,0,0|2,0,1]=4 335 B10R1.113 O=C(O)C1CCCC(C1)F MCULE-2589850350 [0,0,0,1,0,0|2,0,1]=4 336 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,0,0,1,0,0|1,0,1]=3 337 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-1307689360 [0,0,0,1,0,0|2,0,1]=4 338 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-6671293935 [0,0,0,1,0,0|2,0,1]=4 339 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-2725116552 [0,0,0,1,0,0|3,0,0]=4 340 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-7493333189 [0,0,0,1,0,0|3,0,0]=4 341 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,0,0,1,0,0|1,0,1]=3 342 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,0,0,1,0,0|1,0,1]=3 343 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,0,0,1,0,0|1,0,1]=3 344 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,0,0,1,0,0|1,0,1]=3 345 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-1390000123 [0,0,0,1,0,0|2,0,1]=4 346 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-5873942206 [0,0,0,1,0,0|2,0,1]=4 347 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O MCULE-5317131791 [0,0,0,1,0,0|2,0,1]=4 348 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,0,0,1,0,0|1,0,1]=3 349 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,0,0,1,0,0|1,0,1]=3 350 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,0,0,1,0,0|1,0,1]=3 351 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,0,0,1,0,0|1,0,1]=3 352 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1474484031 [0,0,0,1,0,0|2,0,1]=4 353 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1820373402 [0,0,0,1,0,0|2,0,1]=4 354 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4771226737 [0,0,0,1,0,0|2,0,1]=4 355 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4907773186 [0,0,0,1,0,0|2,0,1]=4 356 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-8175624129 [0,0,0,1,0,0|2,0,1]=4 357 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-4751772547 [0,0,0,1,0,0|2,0,1]=4 358 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-6686826243 [0,0,0,1,0,0|2,0,1]=4 359 B10R1.113 O=C1C=C(CCC1)C(=O)O MCULE-6477437107 [0,0,0,1,0,0|1,0,1]=3 360 B10R1.113 O=C1C=CCC(C1)C(=O)O MCULE-3511234259 [0,0,0,1,0,0|1,0,2]=4 361 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [0,0,0,1,0,0|2,0,0]=3 362 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-4653652849 [0,0,0,1,0,0|3,0,0]=4 363 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-5555795045 [0,0,0,1,0,0|3,0,0]=4 364 B10R1.113 O=C1CCCC(C1)B(O)O MCULE-4346596975 [0,0,0,1,0,0|2,0,1]=4 365 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,0,0,1,0,0|1,0,0]=2 366 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,0,0,1,0,0|1,0,0]=2 367 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,0,0,1,0,0|1,0,0]=2 368 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,0,0,1,0,0|1,0,0]=2 369 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,0,0,1,0,0|1,0,0]=2 370 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,0,0,1,0,0|1,0,0]=2 371 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,0,0,1,0,0|1,0,0]=2 372 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,0,0,1,0,0|1,0,0]=2 373 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,0,0,1,0,0|1,0,0]=2 374 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,0,0,1,0,0|2,0,0]=3 375 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,0,0,1,0,0|2,0,0]=3 376 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,0,0,1,0,0|2,0,0]=3 377 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,0,0,1,0,0|2,0,0]=3 378 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,0,0,1,0,0|2,0,0]=3 379 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,0,0,1,0,0|2,0,0]=3 380 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [0,0,0,1,0,0|2,0,0]=3 381 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [0,0,0,1,0,0|2,0,0]=3 382 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [0,0,0,1,0,0|2,0,0]=3 383 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [0,0,0,1,0,0|2,0,0]=3 384 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [0,0,0,1,0,0|2,0,0]=3 385 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [0,0,0,1,0,0|2,0,0]=3 386 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [0,0,0,1,0,0|2,0,0]=3 387 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [0,0,0,1,0,0|2,0,0]=3 388 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,0,0,1,0,0|2,0,0]=3 389 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [0,0,0,1,0,0|2,0,0]=3 390 B10R1.113 O=C1NCCC(O1)C(=O)O MCULE-1272116406 [0,0,0,1,0,0|1,0,0]=2 391 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,0,0,1,0,0|2,0,0]=3 392 B10R1.113 [C@@H]1(CCCC(N1)C)C(=O)O MCULE-7930307305 [0,0,0,1,0,0|2,0,1]=4 393 B10R1.113 [C@H]1(CCCN(C1)C)C(=O)O MCULE-4364645223 [0,0,0,1,0,0|3,0,0]=4 394 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-2539251802 [0,0,0,1,0,0|2,0,1]=4 395 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-4407634771 [0,0,0,1,0,0|2,0,1]=4 396 B10R1.126 O=C(O)CCCCC1CC1 MCULE-2606424315 [0,0,0,1,0,0|2,0,1]=4 397 B10R1.128 CC1(CCCC1C(=O)O)C MCULE-4580682391 [0,0,0,1,0,0|2,0,1]=4 398 B10R1.128 CC1(CCCC1C(=O)O)N MCULE-6959799055 [0,0,0,1,0,0|2,0,1]=4 399 B10R1.128 CC1(CCCC1C(=O)O)N MCULE-7529713765 [0,0,0,1,0,0|2,0,1]=4 400 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N MCULE-2638855066 [0,0,0,1,0,0|2,0,1]=4 401 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N MCULE-7472901526 [0,0,0,1,0,0|2,0,1]=4 402 B10R1.128 C[N+]1(CCCC1C(=O)O)C MCULE-4111590223 [0,0,0,1,0,0|3,0,0]=4 403 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C MCULE-8126384491 [0,0,0,1,0,0|3,0,0]=4 404 B10R1.128 O=C(O)C1CCCC1(F)F MCULE-3687597013 [0,0,0,1,0,0|2,0,1]=4 405 B10R1.128 O=C(O)C1CCCS1(=O)=O MCULE-6333477940 [0,0,0,1,0,0|1,0,1]=3 406 B10R1.352 CC1(CC1CCC(=O)O)C MCULE-6164876776 [0,0,0,1,0,0|2,0,1]=4 407 B10R1.352 O=C(O)CCC1CC1(Cl)Cl MCULE-9473215932 [0,0,0,1,0,0|2,0,1]=4 408 B10R1.352 O=C(O)CCC1CC1(F)F MCULE-8332200330 [0,0,0,1,0,0|2,0,1]=4 409 B10R1.361 CC(=O)N1CCC1C(=O)O MCULE-4216069349 [0,0,0,1,0,0|2,0,0]=3 410 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O MCULE-3086147567 [0,0,0,1,0,0|2,0,0]=3 411 B10R1.361 NC(=O)C1CCC1C(=O)O MCULE-3903818494 [0,0,0,1,0,0|1,0,0]=2 412 B10R1.361 NC(=O)[C@H]1CC[C@H]1C(=O)N MCULE-7732298882 [0,0,0,1,0,0|2,0,0]=3 413 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [0,0,0,1,0,0|0,0,0]=1 414 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [0,0,0,1,0,0|0,0,0]=1 415 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [0,0,0,1,0,0|0,0,0]=1 416 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [0,0,0,1,0,0|0,0,0]=1 417 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [0,0,0,1,0,0|0,0,0]=1 418 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [0,0,0,1,0,0|0,0,0]=1 419 B10R1.361 [C@@H]1(CC[C@@H]1C(=O)O)C(=O)O MCULE-4637916300 [0,0,0,1,0,0|0,0,0]=1 420 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O MCULE-7367162008 [0,0,0,1,0,0|2,0,1]=4 421 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,0,0,1,0|2,0,0]=3 422 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,1,0|2,0,0]=3 423 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,0,0,1,0|2,0,0]=3 424 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,1,0|2,0,1]=4 425 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,0,0,1,0|1,0,2]=4 426 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,0,0,0,1,0|2,0,0]=3 427 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,1,0|2,0,0]=3 428 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,1,0|1,0,0]=2 429 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,0,0,0,1,0|3,0,0]=4 430 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,0,0,0,1,0|3,0,0]=4 431 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,0,0,0,1,0|3,0,0]=4 432 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,1,0|2,0,0]=3 433 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,1,0|2,0,0]=3 434 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,0,0,0,1,0|3,0,0]=4 435 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,1,0|2,0,0]=3 436 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,0,0,0,1,0|2,0,1]=4 437 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,1,0|1,0,1]=3 438 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,0,0,0,1,0|1,0,2]=4 439 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,0,0,0,1,0|3,0,0]=4 440 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,0,0,0,1,0|3,0,0]=4 441 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,0,0,0,1,0|3,0,0]=4 442 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,0,0,0,1,0|3,0,0]=4 443 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,0,0,0,1,0|3,0,0]=4 444 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,0,0,0,1,0|2,1,0]=4 445 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,0,0,0,1,0|2,0,0]=3 446 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,1,0|1,0,0]=2 447 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [0,0,0,0,1,0|2,0,1]=4 448 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,0,0,0,1,0|3,0,0]=4 449 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,1,0|2,0,0]=3 450 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,1,0|2,0,0]=3 451 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,0,0,0,1,0|3,0,0]=4 452 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,1,0|2,0,0]=3 453 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,1,0|2,0,0]=3 454 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,0,0,1,0|2,1,0]=4 455 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,0,0,0,1,0|2,0,0]=3 456 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [0,0,0,0,1,0|3,0,0]=4 457 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,0,0,1,0|0,0,2]=3 458 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,0,0,1,0|0,0,2]=3 459 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,1,0|0,0,0]=1 460 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,0,0,0,1,0|2,0,1]=4 461 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,0,0,0,1,0|1,0,1]=3 462 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,1,0|1,0,0]=2 463 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,1,0|1,0,0]=2 464 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,1,0|1,0,0]=2 465 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,0,0,0,1,0|0,0,2]=3 466 B8R0.28 O=C([O-])CNCC(=O)[O-] MCULE-1067264838 [0,0,0,0,1,0|1,0,2]=4 467 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,1,0|1,0,1]=3 468 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,1,0|1,0,1]=3 469 B8R0.28 OC(=S)COCC(=S)O MCULE-1054878793 [0,0,0,0,1,0|1,2,0]=4 470 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [0,0,0,0,1,0|3,0,0]=4 471 B10R0.97 C=C(Br)CCCCCC(=O)O MCULE-1129581582 [0,0,0,0,0,1|2,0,0]=3 472 B10R0.97 C=C(C)CCCCCC(=O)O MCULE-6091105789 [0,0,0,0,0,1|2,0,0]=3 473 B10R0.97 C=C(Cl)CCCCCC(=O)O MCULE-6548751857 [0,0,0,0,0,1|2,0,0]=3 474 B10R0.97 CC(=CCCCCC(=O)O)C MCULE-6679290438 [0,0,0,0,0,1|2,0,0]=3 475 B10R0.97 CC(=O)CCCCCC(=O)Cl MCULE-9699420066 [0,0,0,0,0,1|2,0,0]=3 476 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [0,0,0,0,0,1|1,0,0]=2 477 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [0,0,0,0,0,1|1,0,0]=2 478 B10R0.97 CC(=O)NCCOCC(=O)O MCULE-8156973678 [0,0,0,0,0,1|2,0,0]=3 479 B10R0.97 CC(=O)NCSCCC(=O)O MCULE-1672994332 [0,0,0,0,0,1|2,0,0]=3 480 B10R0.97 CC(=O)OCCCCN(=O)=O MCULE-8216543774 [0,0,0,0,0,1|2,0,1]=4 481 B10R0.97 CC(=O)OCCCOC(=O)C MCULE-1867773731 [0,0,0,0,0,1|3,0,0]=4 482 B10R0.97 CC(C)CCCCCC(=O)O MCULE-6934503036 [0,0,0,0,0,1|2,0,1]=4 483 B10R0.97 CC(C)CCCOCC(=O)O MCULE-7389478050 [0,0,0,0,0,1|2,0,1]=4 484 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [0,0,0,0,0,1|1,0,1]=3 485 B10R0.97 CN(C)CCCCCC(=O)O MCULE-1002014230 [0,0,0,0,0,1|3,0,0]=4 486 B10R0.97 CN(C)CCCCCC(=O)O MCULE-2670396647 [0,0,0,0,0,1|3,0,0]=4 487 B10R0.97 N=C(N)NCCCCC(=O)O MCULE-2807872503 [0,0,0,0,0,1|2,0,0]=3 488 B10R0.97 N=C(N)SCCCCC(=O)O MCULE-6602460811 [0,0,0,0,0,1|2,0,0]=3 489 B10R0.97 NC(=O)CCSCCC(=O)N MCULE-6169485438 [0,0,0,0,0,1|2,0,0]=3 490 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [0,0,0,0,0,1|1,0,0]=2 491 B10R0.97 NC(=[NH2+])SCCCCC(=O)O MCULE-4252972328 [0,0,0,0,0,1|2,0,0]=3 492 B10R0.97 O=C(Cl)CCCCCC(=O)Cl MCULE-6184277171 [0,0,0,0,0,1|2,0,0]=3 493 B10R0.97 O=C(O)CCCCCC(=O)O MCULE-9618389016 [0,0,0,0,0,1|0,0,0]=1 494 B10R0.97 O=C(O)CCCCCC(F)F MCULE-9302536317 [0,0,0,0,0,1|2,0,1]=4 495 B10R0.97 O=C(O)CCCCCN(=O)=O MCULE-4861594242 [0,0,0,0,0,1|1,0,1]=3 496 B10R0.97 O=C(O)CCCCON(=O)=O MCULE-6522646680 [0,0,0,0,0,1|1,0,1]=3 497 B10R0.97 O=C(O)CCNCCC(=O)O MCULE-9497656945 [0,0,0,0,0,1|0,0,0]=1 498 B10R0.97 O=C(O)CCOCCC(=O)O MCULE-3213537394 [0,0,0,0,0,1|0,0,0]=1 499 B10R0.97 O=C(O)CCSCCC(=O)O MCULE-1300073378 [0,0,0,0,0,1|0,0,0]=1 500 B10R0.97 O=C(O)CSCSCC(=O)O MCULE-7223873834 [0,0,0,0,0,1|1,0,0]=2 501 B7R0.1 C#CCCCCC=O MCULE-2019630243 [2,0,0,0,0,0|1,0,1]=4 502 B7R0.1 C=CCCCCC=C MCULE-9285021489 [2,0,0,0,0,0|2,0,0]=4 503 B7R0.1 C=CCCCCC=O MCULE-6786275827 [2,0,0,0,0,0|1,0,0]=3 504 B7R0.1 C=CCCCCCO MCULE-1200112990 [2,0,0,0,0,0|1,0,1]=4 505 B7R0.1 C=CCOCCC=O MCULE-3332311483 [2,0,0,0,0,0|2,0,0]=4 506 B7R0.1 CCCCCCC=O MCULE-5251820425 [2,0,0,0,0,0|1,0,1]=4 507 B7R0.1 O=CCCCCC=O MCULE-3751145550 [2,0,0,0,0,0|0,0,0]=2 508 B7R0.1 O=CCCCCCBr MCULE-7014516847 [2,0,0,0,0,0|1,0,1]=4 509 B7R0.1 O=CCCCCCCl MCULE-8269912560 [2,0,0,0,0,0|1,0,1]=4 510 B7R0.1 O=CCCCCCF MCULE-8174281286 [2,0,0,0,0,0|1,0,1]=4 511 B7R0.1 O=CCCCCCO MCULE-3978349845 [2,0,0,0,0,0|0,0,1]=3 512 B7R0.1 O=CCCCCCO MCULE-4997016680 [2,0,0,0,0,0|0,0,1]=3 513 B7R0.1 O=CNCCNC=O MCULE-8845509869 [2,0,0,0,0,0|2,0,0]=4 514 B7R0.1 O=COCCOC=O MCULE-6942322322 [2,0,0,0,0,0|2,0,0]=4 515 B7R0.1 OCCCCCCO MCULE-8817570517 [2,0,0,0,0,0|0,0,2]=4 516 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [2,0,0,0,0,0|0,0,2]=4 517 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [2,0,0,0,0,0|0,0,2]=4 518 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [2,0,0,0,0,0|1,0,1]=4 519 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [2,0,0,0,0,0|0,0,1]=3 520 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [2,0,0,0,0,0|1,0,1]=4 521 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [2,0,0,0,0,0|1,0,1]=4 522 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [2,0,0,0,0,0|1,0,1]=4 523 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [2,0,0,0,0,0|1,0,1]=4 524 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [2,0,0,0,0,0|2,0,0]=4 525 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [2,0,0,0,0,0|2,0,0]=4 526 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [2,0,0,0,0,0|1,0,0]=3 527 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [2,0,0,0,0,0|2,0,0]=4 528 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [2,0,0,0,0,0|2,0,0]=4 529 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [2,0,0,0,0,0|2,0,0]=4 530 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [2,0,0,0,0,0|2,0,0]=4 531 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [2,0,0,0,0,0|2,0,0]=4 532 B7R0.4 CC(O)CCCCO MCULE-3790969400 [2,0,0,0,0,0|1,0,1]=4 533 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [2,0,0,0,0,0|1,0,1]=4 534 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [2,0,0,0,0,0|1,0,1]=4 535 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [2,0,0,0,0,0|1,0,1]=4 536 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [2,0,0,0,0,0|1,0,1]=4 537 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [2,0,0,0,0,0|0,0,1]=3 538 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [2,0,0,0,0,0|0,0,2]=4 539 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [2,0,0,0,0,0|0,0,2]=4 540 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [2,0,0,0,0,0|1,0,1]=4 541 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [2,0,0,0,0,0|1,0,1]=4 542 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [2,0,0,0,0,0|1,0,1]=4 543 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [2,0,0,0,0,0|1,0,1]=4 544 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [2,0,0,0,0,0|1,0,1]=4 545 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [2,0,0,0,0,0|1,0,1]=4 546 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [2,0,0,0,0,0|1,0,1]=4 547 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [2,0,0,0,0,0|1,0,1]=4 548 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [2,0,0,0,0,0|1,0,1]=4 549 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [2,0,0,0,0,0|1,0,1]=4 550 B7R0.4 COCCCC(=O)O MCULE-3165881573 [2,0,0,0,0,0|1,0,1]=4 551 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [2,0,0,0,0,0|1,0,1]=4 552 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [2,0,0,0,0,0|1,0,1]=4 553 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [2,0,0,0,0,0|2,0,0]=4 554 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [2,0,0,0,0,0|2,0,0]=4 555 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [2,0,0,0,0,0|1,0,0]=3 556 B7R0.4 NC(=O)COCCO MCULE-3158372920 [2,0,0,0,0,0|2,0,0]=4 557 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [2,0,0,0,0,0|2,0,0]=4 558 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [2,0,0,0,0,0|2,0,0]=4 559 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [2,0,0,0,0,0|2,0,0]=4 560 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [2,0,0,0,0,0|2,0,0]=4 561 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [2,0,0,0,0,0|1,0,0]=3 562 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [2,0,0,0,0,0|1,0,0]=3 563 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [2,0,0,0,0,0|1,0,0]=3 564 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [2,0,0,0,0,0|1,0,0]=3 565 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [2,0,0,0,0,0|2,0,0]=4 566 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [2,0,0,0,0,0|2,0,0]=4 567 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [2,0,0,0,0,0|2,0,0]=4 568 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [2,0,0,0,0,0|2,0,0]=4 569 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [2,0,0,0,0,0|2,0,0]=4 570 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [2,0,0,0,0,0|2,0,0]=4 571 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [2,0,0,0,0,0|2,0,0]=4 572 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [2,0,0,0,0,0|2,0,0]=4 573 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [2,0,0,0,0,0|2,0,0]=4 574 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [2,0,0,0,0,0|2,0,0]=4 575 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [2,0,0,0,0,0|2,0,0]=4 576 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [2,0,0,0,0,0|0,0,2]=4 577 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [2,0,0,0,0,0|1,0,1]=4 578 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [2,0,0,0,0,0|1,0,0]=3 579 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [2,0,0,0,0,0|1,0,0]=3 580 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [2,0,0,0,0,0|0,0,0]=2 581 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [2,0,0,0,0,0|0,1,0]=3 582 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [2,0,0,0,0,0|1,0,0]=3 583 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [2,0,0,0,0,0|2,0,0]=4 584 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [2,0,0,0,0,0|2,0,0]=4 585 B7R0.4 O=C(O)COCCF MCULE-9820799514 [2,0,0,0,0,0|2,0,0]=4 586 B7R0.4 O=C(O)COCCO MCULE-8297137880 [2,0,0,0,0,0|1,0,0]=3 587 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [2,0,0,0,0,0|2,0,0]=4 588 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [2,0,0,0,0,0|1,0,0]=3 589 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [2,0,0,0,0,0|0,0,1]=3 590 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [2,0,0,0,0,0|1,0,1]=4 591 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [2,0,0,0,0,0|0,0,0]=2 592 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [2,0,0,0,0,0|1,0,1]=4 593 B9R0.1 CCC(C)CCCC(=O)O MCULE-5124776736 [1,1,0,0,0,0|1,0,1]=4 594 B9R0.1 CN(CCCC(=O)O)N=O MCULE-9429394767 [1,1,0,0,0,0|2,0,0]=4 595 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [1,1,0,0,0,0|0,0,1]=3 596 B9R0.2 C#CCCCCCC(=O)O MCULE-4594227399 [1,1,0,0,0,0|1,0,1]=4 597 B9R0.2 C=CCCCCCC(=O)C MCULE-7133840219 [1,1,0,0,0,0|2,0,0]=4 598 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [1,1,0,0,0,0|1,0,0]=3 599 B9R0.2 C=CCCCCOC(=O)C MCULE-4254881456 [1,1,0,0,0,0|2,0,0]=4 600 B9R0.2 C=CCOCCCC(=O)O MCULE-5276221892 [1,1,0,0,0,0|1,0,0]=3 601 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [1,1,0,0,0,0|1,0,1]=4 602 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [1,1,0,0,0,0|1,0,1]=4 603 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [1,1,0,0,0,0|1,0,1]=4 604 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [1,1,0,0,0,0|1,0,1]=4 605 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [1,1,0,0,0,0|1,0,1]=4 606 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [1,1,0,0,0,0|1,0,1]=4 607 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [1,1,0,0,0,0|1,0,1]=4 608 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [1,1,0,0,0,0|1,0,1]=4 609 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [1,1,0,0,0,0|1,0,1]=4 610 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [1,1,0,0,0,0|1,0,1]=4 611 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [1,1,0,0,0,0|2,0,0]=4 612 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [1,1,0,0,0,0|0,0,1]=3 613 B9R0.2 COCCCOCC(=O)O MCULE-7774967166 [1,1,0,0,0,0|1,0,1]=4 614 B9R0.2 COCCNCCC(=O)O MCULE-3571993123 [1,1,0,0,0,0|1,0,1]=4 615 B9R0.2 COCCOCCC(=O)O MCULE-5125891492 [1,1,0,0,0,0|1,0,1]=4 616 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [1,1,0,0,0,0|0,1,1]=4 617 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [1,1,0,0,0,0|1,0,1]=4 618 B9R0.2 N#CCCCCCC(=O)O MCULE-6510846674 [1,1,0,0,0,0|1,0,1]=4 619 B9R0.2 N#CCCNCCC(=O)O MCULE-5749626028 [1,1,0,0,0,0|1,0,1]=4 620 B9R0.2 N#N=NCCCCC(=O)O MCULE-6676414217 [1,1,0,0,0,0|2,0,0]=4 621 B9R0.2 NC(=O)CCCCCCO MCULE-7432797193 [1,1,0,0,0,0|1,0,1]=4 622 B9R0.2 NC(=O)CCNCCCO MCULE-1089880795 [1,1,0,0,0,0|1,0,1]=4 623 B9R0.2 NC(=O)CCNCCCO MCULE-8808474432 [1,1,0,0,0,0|1,0,1]=4 624 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [1,1,0,0,0,0|1,0,1]=4 625 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [1,1,0,0,0,0|1,0,1]=4 626 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [1,1,0,0,0,0|0,0,1]=3 627 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [1,1,0,0,0,0|0,0,1]=3 628 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [1,1,0,0,0,0|0,0,1]=3 629 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [1,1,0,0,0,0|1,0,1]=4 630 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [1,1,0,0,0,0|1,0,1]=4 631 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [1,1,0,0,0,0|0,0,1]=3 632 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [1,1,0,0,0,0|0,1,1]=4 633 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [1,1,0,0,0,0|0,0,1]=3 634 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [1,1,0,0,0,0|0,0,1]=3 635 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [1,1,0,0,0,0|0,0,0]=2 636 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [1,1,0,0,0,0|1,0,0]=3 637 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [1,1,0,0,0,0|1,0,0]=3 638 B9R0.4 CC(CC(=O)O)NCCO MCULE-6990108869 [1,1,0,0,0,0|1,0,1]=4 639 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [1,1,0,0,0,0|1,0,1]=4 640 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [1,1,0,0,0,0|1,0,1]=4 641 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [1,1,0,0,0,0|1,0,1]=4 642 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [1,1,0,0,0,0|1,0,1]=4 643 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [1,1,0,0,0,0|1,0,1]=4 644 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [1,1,0,0,0,0|1,0,1]=4 645 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [1,1,0,0,0,0|1,0,1]=4 646 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [1,1,0,0,0,0|2,0,0]=4 647 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [1,1,0,0,0,0|2,0,0]=4 648 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [1,1,0,0,0,0|2,0,0]=4 649 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [1,1,0,0,0,0|2,0,0]=4 650 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [1,1,0,0,0,0|2,0,0]=4 651 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [1,1,0,0,0,0|2,0,0]=4 652 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [1,1,0,0,0,0|2,0,0]=4 653 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [1,1,0,0,0,0|2,0,0]=4 654 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [1,1,0,0,0,0|2,0,0]=4 655 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [1,1,0,0,0,0|2,0,0]=4 656 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [1,1,0,0,0,0|2,0,0]=4 657 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [1,1,0,0,0,0|1,0,1]=4 658 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [1,1,0,0,0,0|1,0,1]=4 659 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [1,1,0,0,0,0|1,0,1]=4 660 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [1,1,0,0,0,0|1,0,1]=4 661 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [1,1,0,0,0,0|1,0,1]=4 662 B9R0.46 C#CCCCCC(=O)OC MCULE-4261649689 [1,1,0,0,0,0|1,0,1]=4 663 B9R0.46 C=CCCCCC(=O)OC MCULE-7317556908 [1,1,0,0,0,0|1,0,0]=3 664 B9R0.46 C=CCCNCC(=O)OC MCULE-1793995699 [1,1,0,0,0,0|2,0,0]=4 665 B9R0.46 C=CCCNCC(=O)OC MCULE-4679984261 [1,1,0,0,0,0|2,0,0]=4 666 B9R0.46 C=CCNCCC(=O)OC MCULE-2549759040 [1,1,0,0,0,0|2,0,0]=4 667 B9R0.46 CCCCCCC(=O)NO MCULE-7308576516 [1,1,0,0,0,0|1,0,1]=4 668 B9R0.46 CCCCCCC(=O)OC MCULE-7883111323 [1,1,0,0,0,0|1,0,1]=4 669 B9R0.46 CNCCCCC(=O)OC MCULE-3479794664 [1,1,0,0,0,0|2,0,0]=4 670 B9R0.46 CNCCCCC(=O)OC MCULE-3875784281 [1,1,0,0,0,0|2,0,0]=4 671 B9R0.46 COC(=O)CCCCC=O MCULE-6810055406 [1,1,0,0,0,0|0,0,0]=2 672 B9R0.46 COC(=O)CCCCCBr MCULE-5661009403 [1,1,0,0,0,0|1,0,1]=4 673 B9R0.46 COC(=O)CCCCCCl MCULE-2967199349 [1,1,0,0,0,0|1,0,1]=4 674 B9R0.46 COC(=O)CCCCCI MCULE-6638103547 [1,1,0,0,0,0|1,0,1]=4 675 B9R0.46 COC(=O)CCCCCN MCULE-9013585398 [1,1,0,0,0,0|1,0,1]=4 676 B9R0.46 COC(=O)CCCCCN MCULE-9184696999 [1,1,0,0,0,0|1,0,1]=4 677 B9R0.46 COC(=O)CCCCCO MCULE-6405405706 [1,1,0,0,0,0|0,0,1]=3 678 B9R0.46 COC(=O)CCCCCS MCULE-3886120866 [1,1,0,0,0,0|0,1,1]=4 679 B9R0.46 COC(=O)CCNCCO MCULE-8673898296 [1,1,0,0,0,0|1,0,1]=4 680 B9R0.46 COC(=O)CCNCCO MCULE-9372452891 [1,1,0,0,0,0|1,0,1]=4 681 B9R0.46 COC(=O)CCOCCO MCULE-2103874995 [1,1,0,0,0,0|1,0,1]=4 682 B9R0.46 COCCCCC(=O)OC MCULE-9886328481 [1,1,0,0,0,0|2,0,0]=4 683 B9R0.46 NNC(=O)CCCCCO MCULE-7442906607 [1,1,0,0,0,0|1,0,1]=4 684 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [1,1,0,0,0,0|1,0,1]=4 685 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [1,1,0,0,0,0|1,0,1]=4 686 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [1,1,0,0,0,0|1,0,1]=4 687 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [1,1,0,0,0,0|1,0,1]=4 688 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [1,1,0,0,0,0|1,0,1]=4 689 B9R0.47 C=CCCCC(C)C(=O)C MCULE-3594332716 [1,1,0,0,0,0|2,0,0]=4 690 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [1,1,0,0,0,0|1,0,0]=3 691 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [1,1,0,0,0,0|1,0,0]=3 692 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [1,1,0,0,0,0|1,0,0]=3 693 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [1,1,0,0,0,0|1,0,0]=3 694 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [1,1,0,0,0,0|1,0,0]=3 695 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [1,1,0,0,0,0|1,0,0]=3 696 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [1,1,0,0,0,0|1,0,0]=3 697 B9R0.47 C=CCCNC(C)C(=O)O MCULE-2164423879 [1,1,0,0,0,0|2,0,0]=4 698 B9R0.47 C=CCCOC(C)C(=O)O MCULE-4921869592 [1,1,0,0,0,0|2,0,0]=4 699 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [1,1,0,0,0,0|2,0,0]=4 700 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [1,1,0,0,0,0|2,0,0]=4 701 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [1,1,0,0,0,0|2,0,0]=4 702 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [1,1,0,0,0,0|2,0,0]=4 703 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [1,1,0,0,0,0|2,0,0]=4 704 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [1,1,0,0,0,0|2,0,0]=4 705 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [1,1,0,0,0,0|2,0,0]=4 706 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [1,1,0,0,0,0|2,0,0]=4 707 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [1,1,0,0,0,0|1,0,1]=4 708 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [1,1,0,0,0,0|1,0,1]=4 709 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [1,1,0,0,0,0|1,0,1]=4 710 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [1,1,0,0,0,0|1,0,1]=4 711 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [1,1,0,0,0,0|1,0,1]=4 712 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [1,1,0,0,0,0|1,0,1]=4 713 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [1,1,0,0,0,0|1,0,1]=4 714 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [1,1,0,0,0,0|1,0,1]=4 715 B9R0.47 COCCCC(C)C(=O)O MCULE-7159772792 [1,1,0,0,0,0|2,0,0]=4 716 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [1,1,0,0,0,0|0,0,1]=3 717 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [1,1,0,0,0,0|1,0,1]=4 718 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [1,1,0,0,0,0|1,0,1]=4 719 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [1,1,0,0,0,0|1,0,1]=4 720 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [1,1,0,0,0,0|1,0,1]=4 721 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [1,1,0,0,0,0|1,0,1]=4 722 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [1,1,0,0,0,0|1,0,1]=4 723 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [1,1,0,0,0,0|1,0,1]=4 724 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [1,1,0,0,0,0|1,0,1]=4 725 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [1,1,0,0,0,0|1,0,1]=4 726 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [1,1,0,0,0,0|1,0,1]=4 727 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [1,1,0,0,0,0|1,0,1]=4 728 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [1,1,0,0,0,0|1,0,1]=4 729 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [1,1,0,0,0,0|1,0,1]=4 730 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [1,1,0,0,0,0|1,0,1]=4 731 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [1,1,0,0,0,0|1,0,1]=4 732 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [1,1,0,0,0,0|1,0,1]=4 733 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [1,1,0,0,0,0|1,0,1]=4 734 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [1,1,0,0,0,0|1,0,1]=4 735 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [1,1,0,0,0,0|1,0,1]=4 736 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [1,1,0,0,0,0|1,0,1]=4 737 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [1,1,0,0,0,0|1,0,1]=4 738 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [1,1,0,0,0,0|1,0,1]=4 739 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [1,1,0,0,0,0|0,0,1]=3 740 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [1,1,0,0,0,0|0,0,1]=3 741 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [1,1,0,0,0,0|1,0,0]=3 742 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [1,1,0,0,0,0|1,0,0]=3 743 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [1,1,0,0,0,0|1,0,0]=3 744 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [1,1,0,0,0,0|1,0,0]=3 745 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [1,1,0,0,0,0|2,0,0]=4 746 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [1,1,0,0,0,0|1,0,1]=4 747 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [1,1,0,0,0,0|1,0,1]=4 748 B9R0.47 O=C(O)C(Br)CCCCBr MCULE-9265332965 [1,1,0,0,0,0|1,0,1]=4 749 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [1,1,0,0,0,0|1,0,1]=4 750 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [1,1,0,0,0,0|1,0,1]=4 751 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [1,1,0,0,0,0|1,0,1]=4 752 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [1,1,0,0,0,0|1,0,1]=4 753 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [1,1,0,0,0,0|1,0,1]=4 754 B9R0.48 CN(CCO)CCC(=O)O MCULE-1755715725 [1,1,0,0,0,0|1,0,1]=4 755 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,1,0,0,1,0|0,0,1]=3 756 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,1,0,0,1,0|0,0,1]=3 757 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,1,0,0,1,0|1,0,0]=3 758 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,1,0,0,1,0|1,0,1]=4 759 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,1,0,0,1,0|2,0,0]=4 760 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,1,0,0,1,0|2,0,0]=4 761 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,1,0,0,1,0|2,0,0]=4 762 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,1,0,0,1,0|2,0,0]=4 763 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,1,0,0,1,0|2,0,0]=4 764 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,1,0,0,1,0|2,0,0]=4 765 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,1,0,0,1,0|2,0,0]=4 766 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,1,0,0,1,0|2,0,0]=4 767 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,1,0,0,1,0|2,0,0]=4 768 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,1,0,0,1,0|2,0,0]=4 769 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,1,0,0,1,0|2,0,0]=4 770 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,1,0,0,1,0|2,0,0]=4 771 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,1,0,0,1,0|2,0,0]=4 772 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,1,0,0,1,0|2,0,0]=4 773 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,1,0,0,1,0|2,0,0]=4 774 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,1,0,0,1,0|2,0,0]=4 775 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,1,0,0,1,0|2,0,0]=4 776 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,1,0,0,1,0|2,0,0]=4 777 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,1,0,0,1,0|2,0,0]=4 778 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,1,0,0,1,0|2,0,0]=4 779 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,1,0,0,1,0|0,0,0]=2 780 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,1,0,0,1,0|0,0,0]=2 781 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,1,0,0,1,0|2,0,0]=4 782 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,1,0,0,1,0|1,0,0]=3 783 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,1,0,0,1,0|1,0,0]=3 784 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,1,0,0,1,0|1,0,0]=3 785 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,1,0,0,1,0|2,0,0]=4 786 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,1,0,0,1,0|2,0,0]=4 787 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,1,0,0,1,0|2,0,0]=4 788 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,1,0,0,1,0|2,0,0]=4 789 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,1,0,0,1,0|2,0,0]=4 790 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,1,0,0,1,0|2,0,0]=4 791 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,1,0,0,1,0|0,0,0]=2 792 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,1,0,0,1,0|0,0,0]=2 793 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,1,0,0,1,0|0,0,0]=2 794 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,1,0,0,1,0|1,0,1]=4 795 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,1,0,0,1,0|1,0,0]=3 796 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,1,0,0,1,0|1,0,0]=3 797 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,1,0,0,1,0|1,0,0]=3 798 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,1,0,0,1,0|1,0,0]=3 799 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,1,0,0,1,0|1,0,0]=3 800 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,1,0,0,1,0|2,0,0]=4 801 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,1,0,0,1,0|2,0,0]=4 802 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,1,0,0,1,0|2,0,0]=4 803 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,1,0,0,1,0|2,0,0]=4 804 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,1,0,0,1,0|1,0,0]=3 805 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,1,0,0,1,0|1,0,0]=3 806 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,1,0,0,1,0|2,0,0]=4 807 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,1,0,0,1,0|2,0,0]=4 808 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,1,0,0,1,0|2,0,0]=4 809 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,1,0,0,1,0|2,0,0]=4 810 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,1,0,0,1,0|1,0,0]=3 811 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,1,0,0,1,0|1,0,0]=3 812 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,1,0,0,1,0|2,0,0]=4 813 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,1,0,0,1,0|2,0,0]=4 814 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,1,0,0,1,0|2,0,0]=4 815 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,1,0,0,1,0|2,0,0]=4 816 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,1,0,0,1,0|2,0,0]=4 817 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,1,0,0,1,0|2,0,0]=4 818 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,1,0,0,1,0|1,0,0]=3 819 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,1,0,0,1,0|1,0,0]=3 820 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,1,0,0,1,0|1,0,0]=3 821 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,1,0,0,1,0|1,0,0]=3 822 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,1,0,0,1,0|1,0,0]=3 823 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,1,0,0,1,0|1,0,0]=3 824 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,1,0,0,1,0|0,0,0]=2 825 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,1,0,0,1,0|0,0,0]=2 826 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,1,0,0,1,0|0,0,0]=2 827 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,1,0,0,1,0|0,0,1]=3 828 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,1,0,0,1,0|0,0,0]=2 829 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,1,0,0,1,0|0,0,0]=2 830 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,1,0,0,1,0|0,0,0]=2 831 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,1,0,0,1,0|0,0,0]=2 832 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,1,0,0,1,0|0,0,0]=2 833 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,1,0,0,1,0|0,0,1]=3 834 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,1,0,0,1,0|0,0,2]=4 835 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,1,0,0,1,0|0,0,1]=3 836 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,1,0,0,1,0|0,0,1]=3 837 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,1,0,0,1,0|0,0,0]=2 838 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,1,0,0,1,0|0,0,0]=2 839 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,1,0,0,1,0|0,0,1]=3 840 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,1,0,0,1,0|0,0,2]=4 841 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,1,0,0,1,0|0,0,0]=2 842 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,1,0,0,1,0|0,0,0]=2 843 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,1,0,0,1,0|0,0,0]=2 844 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,1,0,0,1,0|0,0,0]=2 845 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,1,0,0,1,0|0,0,0]=2 846 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,1,0,0,1,0|0,0,0]=2 847 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,1,0,0,1,0|0,0,0]=2 848 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,1,0,0,1,0|0,0,0]=2 849 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,1,0,0,1,0|1,0,1]=4 850 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,1,0,0,1,0|0,0,2]=4 851 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,1,0,0,1,0|0,0,2]=4 852 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,1,0,0,1,0|0,0,2]=4 853 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,1,0,0,1,0|0,0,2]=4 854 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,1,0,0,1,0|0,0,2]=4 855 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,1,0,0,1,0|0,0,2]=4 856 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,1,0,0,1,0|0,0,2]=4 857 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,1,0,0,1,0|0,0,2]=4 858 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,1,0,0,1,0|1,0,0]=3 859 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,1,0,0,1,0|1,0,0]=3 860 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,1,0,0,1,0|0,0,0]=2 861 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,1,0,0,1,0|2,0,0]=4 862 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,1,0,0,1,0|0,0,0]=2 863 B9R0.7 [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-6350748495 [0,1,0,0,1,0|0,0,2]=4 864 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,1,0,0,1,0|0,0,2]=4 865 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,1,0,0,1,0|0,0,2]=4 866 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,1,0,0,1,0|2,0,0]=4 867 B9R0.53 CC(CC(=O)N)CC(=O)N MCULE-8411499627 [0,1,0,0,1,0|2,0,0]=4 868 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,1,0,0,1,0|0,0,0]=2 869 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,1,0,0,1,0|2,0,0]=4 870 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,1,0,0,1,0|1,0,0]=3 871 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,1,0,0,1,0|1,0,0]=3 872 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,1,0,0,1,0|0,0,0]=2 873 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,1,0,0,1,0|0,0,0]=2 874 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,1,0,0,1,0|1,0,0]=3 875 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [0,1,0,0,1,0|0,0,2]=4 876 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,1,0,0,1,0|0,0,1]=3 877 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,1,0,0,1,0|0,0,0]=2 878 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,1,0,0,1,0|1,0,0]=3 879 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [0,1,0,0,1,0|1,0,1]=4 880 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [0,1,0,0,1,0|1,0,1]=4 881 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [0,1,0,0,1,0|1,0,0]=3 882 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [0,1,0,0,1,0|2,0,0]=4 883 B11R0.6 CC(=CCCC(C)CC(=O)O)C MCULE-3455137708 [0,1,0,0,0,1|2,0,0]=4 884 B11R0.6 CC(=CCC[C@@H](C)CC(=O)O)C MCULE-1765346802 [0,1,0,0,0,1|2,0,0]=4 885 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C MCULE-2400113823 [0,1,0,0,0,1|2,0,0]=4 886 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C MCULE-9691367682 [0,1,0,0,0,1|2,0,0]=4 887 B11R0.6 [C@@H](C)(CCC=C(C)C)CC(=O)O MCULE-1438242882 [0,1,0,0,0,1|2,0,0]=4 888 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5358658112 [0,1,0,0,0,1|2,0,0]=4 889 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5606810596 [0,1,0,0,0,1|2,0,0]=4 890 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-7980342928 [0,1,0,0,0,1|2,0,0]=4 891 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8195408633 [0,1,0,0,0,1|2,0,0]=4 892 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8216004356 [0,1,0,0,0,1|2,0,0]=4 893 B11R0.29 CC(=O)C(C)CCCCC(=O)O MCULE-7016988868 [0,1,0,0,0,1|1,0,0]=3 894 B11R0.29 CC(=O)NCCCC(N)C(=O)O MCULE-5671867593 [0,1,0,0,0,1|1,0,0]=3 895 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-1987849167 [0,1,0,0,0,1|1,0,0]=3 896 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-5655137268 [0,1,0,0,0,1|1,0,0]=3 897 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-1709640374 [0,1,0,0,0,1|2,0,0]=4 898 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-3550759506 [0,1,0,0,0,1|2,0,0]=4 899 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-6373295824 [0,1,0,0,0,1|2,0,0]=4 900 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7013130042 [0,1,0,0,0,1|2,0,0]=4 901 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7188611038 [0,1,0,0,0,1|2,0,0]=4 902 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-8606728410 [0,1,0,0,0,1|2,0,0]=4 903 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O MCULE-2695923449 [0,1,0,0,0,1|2,0,0]=4 904 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-3125760737 [0,1,0,0,0,1|2,0,0]=4 905 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-5122302808 [0,1,0,0,0,1|2,0,0]=4 906 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-6153263942 [0,1,0,0,0,1|2,0,0]=4 907 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-9072241723 [0,1,0,0,0,1|2,0,0]=4 908 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-1262352579 [0,1,0,0,0,1|2,0,0]=4 909 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-3838347198 [0,1,0,0,0,1|2,0,0]=4 910 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-8676148534 [0,1,0,0,0,1|2,0,0]=4 911 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-9872369459 [0,1,0,0,0,1|2,0,0]=4 912 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-1290049418 [0,1,0,0,0,1|2,0,0]=4 913 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-4214642097 [0,1,0,0,0,1|2,0,0]=4 914 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-5108123240 [0,1,0,0,0,1|2,0,0]=4 915 B11R0.29 N=C(N)NCCC[C@H](O)C(=O)O MCULE-5530430751 [0,1,0,0,0,1|2,0,0]=4 916 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-4923497703 [0,1,0,0,0,1|2,0,0]=4 917 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-6690848404 [0,1,0,0,0,1|2,0,0]=4 918 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-8512874772 [0,1,0,0,0,1|2,0,0]=4 919 B11R0.29 NC(=NCCC[C@H](N)C(=O)O)N MCULE-6159466147 [0,1,0,0,0,1|2,0,0]=4 920 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-3107139098 [0,1,0,0,0,1|1,0,0]=3 921 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9077514633 [0,1,0,0,0,1|1,0,0]=3 922 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9892421890 [0,1,0,0,0,1|1,0,0]=3 923 B11R0.29 NC(=O)NCCCC(N)C(=O)S MCULE-6427757419 [0,1,0,0,0,1|1,1,0]=4 924 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-7003128917 [0,1,0,0,0,1|1,0,0]=3 925 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-9135693560 [0,1,0,0,0,1|1,0,0]=3 926 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-2081339988 [0,1,0,0,0,1|1,0,0]=3 927 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5380647071 [0,1,0,0,0,1|1,0,0]=3 928 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5746772887 [0,1,0,0,0,1|1,0,0]=3 929 B11R0.29 NC(=S)NCCC[C@H](N)C(=O)O MCULE-9458174752 [0,1,0,0,0,1|1,1,0]=4 930 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,1,0,0,0,1|0,0,0]=2 931 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-7425052021 [0,1,0,0,0,1|1,0,1]=4 932 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-8991194580 [0,1,0,0,0,1|1,0,1]=4 933 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,1,0,0,0,1|0,0,0]=2 934 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-3187192569 [0,1,0,0,0,1|1,0,1]=4 935 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7635800556 [0,1,0,0,0,1|1,0,1]=4 936 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7716159403 [0,1,0,0,0,1|1,0,1]=4 937 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-8309654000 [0,1,0,0,0,1|1,0,1]=4 938 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,1,0,0,0,1|0,0,0]=2 939 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,1,0,0,0,1|0,0,0]=2 940 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-1378566517 [0,1,0,0,0,1|1,0,1]=4 941 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-2158139364 [0,1,0,0,0,1|1,0,1]=4 942 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8839722581 [0,1,0,0,0,1|1,0,1]=4 943 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8903543883 [0,1,0,0,0,1|1,0,1]=4 944 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,1,0,0,0,1|0,0,0]=2 945 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,1,0,0,0,1|0,0,0]=2 946 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,1,0,0,0,1|0,0,0]=2 947 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,1,0,0,0,1|0,0,0]=2 948 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,1,0,0,0,1|0,0,0]=2 949 B11R0.29 O=C(O)CCCCC(=O)C(=O)O MCULE-2399783714 [0,1,0,0,0,1|0,0,0]=2 950 B11R0.29 [C@H](N)(CCCNC(=N)N)C(=O)O MCULE-3794564775 [0,1,0,0,0,1|2,0,0]=4 951 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-5543687296 [0,1,0,0,0,1|2,0,0]=4 952 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-9668621656 [0,1,0,0,0,1|2,0,0]=4 953 B11R0.29 [C@H]([NH3+])(CSCNC(=O)C)C(=O)O MCULE-9323832704 [0,1,0,0,0,1|2,0,0]=4 954 B11R0.31 NS(=O)(=O)CCCCCC(=O)O MCULE-7600274441 [0,1,0,0,0,1|1,0,1]=4 955 B11R0.31 O=C(O)CCCCCP(=O)(O)O MCULE-8946955517 [0,1,0,0,0,1|1,0,0]=3 956 B11R0.85 CC(=O)CCC(=O)CCC(=O)O MCULE-5526835762 [0,1,0,0,0,1|1,0,0]=3 957 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-6422087692 [0,1,0,0,0,1|0,0,0]=2 958 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-9753433782 [0,1,0,0,0,1|0,0,0]=2 959 B11R0.85 NC(=O)CCS(=O)CCC(=O)N MCULE-8007819304 [0,1,0,0,0,1|2,0,0]=4 960 B11R0.85 NC(=O)CNC(=O)CCC(=O)O MCULE-2519011568 [0,1,0,0,0,1|1,0,1]=4 961 B11R0.85 NC(CCC(=O)O)CCC(=O)O MCULE-1718560114 [0,1,0,0,0,1|0,0,0]=2 962 B11R0.85 O=C(O)CCC(=O)CCC(=O)O MCULE-2914369907 [0,1,0,0,0,1|0,0,0]=2 963 B11R0.85 O=C(O)CCC(=O)CCN(=O)=O MCULE-2588325470 [0,1,0,0,0,1|1,0,1]=4 964 B11R0.85 O=C(O)CCC(=O)NCC(=O)O MCULE-7360241516 [0,1,0,0,0,1|0,0,1]=3 965 B11R0.85 O=C(O)CCS(=O)CCC(=O)O MCULE-6732412360 [0,1,0,0,0,1|0,0,0]=2 966 B11R0.85 O=C(O)CSC(=S)SCC(=O)O MCULE-1853026961 [0,1,0,0,0,1|1,0,1]=4 967 B11R0.111 CCC(=O)CCCCCC(=O)O MCULE-8603570043 [0,1,0,0,0,1|1,0,0]=3 968 B11R0.111 COC(=O)CCCCCC(=O)O MCULE-7307151830 [0,1,0,0,0,1|0,0,0]=2 969 B11R0.111 COC(=O)CCCCCN(=O)=O MCULE-7934969106 [0,1,0,0,0,1|1,0,1]=4 970 B11R0.111 COC(=O)COCCCN(=O)=O MCULE-9815504635 [0,1,0,0,0,1|1,0,1]=4 971 B11R0.111 O=C(O)CCCSCC(O)CO MCULE-6771933903 [0,1,0,0,0,1|0,0,2]=4 972 B11R0.114 COC(=O)CCCCS(=O)(=O)Cl MCULE-7437734055 [0,2,0,0,0,0|1,0,1]=4 973 B11R0.114 COC(=O)CCCCS(=O)(=O)[O-] MCULE-2085704087 [0,2,0,0,0,0|1,0,1]=4 974 B11R0.114 COC(=O)CCCCS(=O)(=O)[O-] MCULE-2843891121 [0,2,0,0,0,0|1,0,1]=4 975 B11R0.127 CCS(=O)(=O)CCCCC(=O)O MCULE-3501340985 [0,2,0,0,0,0|1,0,1]=4 976 B11R0.199 O=P(O)(O)CCCCP(=O)(O)O MCULE-8065281274 [0,2,0,0,0,0|2,0,0]=4 977 B11R0.199 O=S(=O)(O)CCCCS(=O)(=O)O MCULE-7847577739 [0,2,0,0,0,0|2,0,0]=4 978 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O MCULE-8623591326 [0,2,0,0,0,0|1,0,0]=3 979 B11R0.318 NC(CCCP(=O)(O)O)C(=O)[O-] MCULE-1190482144 [0,2,0,0,0,0|1,0,1]=4 980 B11R0.318 NC(CCCP(=O)([O-])O)C(=O)O MCULE-7628102703 [0,2,0,0,0,0|1,0,0]=3 981 B11R0.318 N[C@@H](CCCP(=O)(O)O)C(=O)O MCULE-4298011103 [0,2,0,0,0,0|1,0,0]=3 982 B11R0.318 N[C@@H](CCCP(=O)([O-])O)C(=O)O MCULE-2274115416 [0,2,0,0,0,0|1,0,0]=3 983 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-4903649245 [0,2,0,0,0,0|1,0,0]=3 984 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-6840301080 [0,2,0,0,0,0|1,0,0]=3 985 B11R0.318 [NH3+][C@@H](CCCP(=O)(O)O)C(=O)[O-] MCULE-2958965934 [0,2,0,0,0,0|1,0,1]=4 986 B11R0.106 COC(=N)CCCCC(=N)OC MCULE-5835726389 [0,2,0,0,0,0|2,0,0]=4 987 B11R0.106 COC(=N)CCCCC(=N)OC MCULE-6640927860 [0,2,0,0,0,0|2,0,0]=4 988 B11R0.106 COC(=O)/C=C/CCC(=O)OC MCULE-7603966348 [0,2,0,0,0,0|0,0,2]=4 989 B11R0.106 COC(=O)C/C=C/CC(=O)OC MCULE-2565179854 [0,2,0,0,0,0|0,0,2]=4 990 B11R0.106 COC(=O)C=CCCC(=O)OC MCULE-4437090003 [0,2,0,0,0,0|0,0,2]=4 991 B11R0.106 COC(=O)CC=CCC(=O)OC MCULE-5284222775 [0,2,0,0,0,0|0,0,2]=4 992 B11R0.106 COC(=O)CCCCC(=O)OC MCULE-2088809384 [0,2,0,0,0,0|0,0,0]=2 993 B11R0.106 COC(=O)CCCNC(=O)CCl MCULE-9273834433 [0,2,0,0,0,0|2,0,0]=4 994 B11R0.106 COC(=O)CCNCC(=O)OC MCULE-6614299594 [0,2,0,0,0,0|1,0,0]=3 995 B11R0.106 COC(=O)CCSCC(=O)OC MCULE-4546186976 [0,2,0,0,0,0|1,0,0]=3 996 B11R0.106 COC(=O)CNNCC(=O)OC MCULE-2588849029 [0,2,0,0,0,0|2,0,0]=4 997 B11R0.106 COC(=O)CNNCC(=O)OC MCULE-6454499548 [0,2,0,0,0,0|2,0,0]=4 998 B11R0.106 COC(=O)NCCNC(=O)OC MCULE-2891333708 [0,2,0,0,0,0|2,0,0]=4 999 B11R0.106 COC(=O)OCCOC(=O)OC MCULE-1925126036 [0,2,0,0,0,0|2,0,0]=4 1000 B11R0.106 N=C(CCCCC(=N)NO)NO MCULE-1197943787 [0,2,0,0,0,0|2,0,0]=4 1001 B11R0.106 NNC(=O)CCCCC(=O)NN MCULE-3799591323 [0,2,0,0,0,0|2,0,0]=4 1002 B11R0.106 O=C(CBr)CCCCC(=O)CBr MCULE-3580782975 [0,2,0,0,0,0|2,0,0]=4 1003 B11R0.106 [NH2+]=C(CCCCC(=[NH2+])OC)OC MCULE-3554974398 [0,2,0,0,0,0|2,0,0]=4 1004 B11R0.107 COC(=O)CCC(=O)CC(=O)C MCULE-3104868399 [0,2,0,0,0,0|1,0,1]=4 1005 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-6525672180 [0,2,0,0,0,0|0,0,0]=2 1006 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-9595280451 [0,2,0,0,0,0|0,0,0]=2 1007 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-3482420480 [0,2,0,0,0,0|0,0,0]=2 1008 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-4023404585 [0,2,0,0,0,0|0,0,0]=2 1009 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-7929391321 [0,2,0,0,0,0|0,0,0]=2 1010 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-8630961555 [0,2,0,0,0,0|0,0,0]=2 1011 B11R0.109 N/C(=N\CCC(N)C(=O)O)/NO MCULE-3317847954 [0,2,0,0,0,0|2,0,0]=4 1012 B11R0.109 N/C(=N\O)/NCC[C@H](N)C(=O)O MCULE-6818477347 [0,2,0,0,0,0|2,0,0]=4 1013 B11R0.109 N=C(NO)NCCC(N)C(=O)O MCULE-1136835208 [0,2,0,0,0,0|2,0,0]=4 1014 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-1084312846 [0,2,0,0,0,0|2,0,0]=4 1015 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-4376787249 [0,2,0,0,0,0|2,0,0]=4 1016 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-5014640829 [0,2,0,0,0,0|2,0,0]=4 1017 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-5651762446 [0,2,0,0,0,0|2,0,0]=4 1018 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-6461612970 [0,2,0,0,0,0|2,0,0]=4 1019 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-9060251744 [0,2,0,0,0,0|2,0,0]=4 1020 B11R0.145 COC(=O)N(C)CCCC(=O)O MCULE-2774035598 [0,2,0,0,0,0|1,0,0]=3 1021 B11R0.176 C=C(Br)CCCCC(=O)OCC MCULE-9044201965 [0,2,0,0,0,0|2,0,0]=4 1022 B11R0.176 C=C(C)CCCCC(=O)OCC MCULE-7155352281 [0,2,0,0,0,0|2,0,0]=4 1023 B11R0.176 C=C(Cl)CCCCC(=O)OCC MCULE-3800259211 [0,2,0,0,0,0|2,0,0]=4 1024 B11R0.176 CC=CC(=O)NCCCC(=O)O MCULE-8337980447 [0,2,0,0,0,0|2,0,0]=4 1025 B11R0.176 CCCC(=O)CCCCC(=O)O MCULE-8623857142 [0,2,0,0,0,0|1,0,0]=3 1026 B11R0.176 CCOC(=O)CCCCC(=O)Cl MCULE-7603618670 [0,2,0,0,0,0|1,0,0]=3 1027 B11R0.176 CCOC(=O)CCCCC(=O)N MCULE-5102294443 [0,2,0,0,0,0|1,0,0]=3 1028 B11R0.176 CCOC(=O)CCCCC(=O)O MCULE-2798201385 [0,2,0,0,0,0|0,0,0]=2 1029 B11R0.176 CCOC(=O)CCCCN(=O)=O MCULE-9723347370 [0,2,0,0,0,0|1,0,1]=4 1030 B11R0.176 CCOC(=O)NCCCC(=O)O MCULE-4728011360 [0,2,0,0,0,0|1,0,0]=3 1031 B11R0.176 O=C(O)CCCCC(O)CCO MCULE-6457534836 [0,2,0,0,0,0|0,0,2]=4 1032 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O MCULE-8617510469 [0,2,0,0,0,0|0,0,0]=2 1033 B11R0.232 CC(=O)OCC(C)(C)CC(=O)O MCULE-2188358813 [0,2,0,0,0,0|2,0,0]=4 1034 B11R0.232 CC(C)(CCC(=O)O)CC(=O)O MCULE-6179333060 [0,2,0,0,0,0|0,0,0]=2 1035 B11R0.150 CC(=O)C(O)CCC(O)C(=O)C MCULE-6415142077 [0,2,0,0,0,0|2,0,0]=4 1036 B11R0.150 CC(CCC(C)C(=O)O)C(=O)O MCULE-5912549588 [0,2,0,0,0,0|0,0,0]=2 1037 B11R0.150 CC(SSC(C)C(=O)O)C(=O)O MCULE-4166467242 [0,2,0,0,0,0|2,0,0]=4 1038 B11R0.150 NC(=O)C(Br)CCC(Br)C(=O)N MCULE-2705075437 [0,2,0,0,0,0|2,0,0]=4 1039 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,2,0,0,0,0|0,0,0]=2 1040 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,2,0,0,0,0|0,0,0]=2 1041 B11R0.150 NC(CNC(=O)C(=O)O)C(=O)O MCULE-4369517479 [0,2,0,0,0,0|1,0,1]=4 1042 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [0,2,0,0,0,0|0,0,0]=2 1043 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [0,2,0,0,0,0|0,0,0]=2 1044 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [0,2,0,0,0,0|0,0,0]=2 1045 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [0,2,0,0,0,0|0,0,0]=2 1046 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-6891448368 [0,2,0,0,0,0|1,0,1]=4 1047 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-8386372368 [0,2,0,0,0,0|1,0,1]=4 1048 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [0,2,0,0,0,0|0,0,0]=2 1049 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O MCULE-1364640997 [0,2,0,0,0,0|0,0,0]=2 1050 B11R0.150 O=C(O)C(O)SSC(O)C(=O)O MCULE-1628840134 [0,2,0,0,0,0|2,0,0]=4 1051 B9R1.2 C=CC1CCCC(=O)C1 MCULE-4962666890 [1,0,0,1,0,0|2,0,0]=4 1052 B9R1.2 O=C1CCCC(C1)CO MCULE-5732276352 [1,0,0,1,0,0|1,0,1]=4 1053 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [1,0,0,1,0,0|1,0,1]=4 1054 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [1,0,0,1,0,0|1,0,1]=4 1055 B9R1.2 O=C1CCC[C@H](C1)CO MCULE-7659844168 [1,0,0,1,0,0|1,0,1]=4 1056 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [1,0,0,1,0,0|1,0,1]=4 1057 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [1,0,0,1,0,0|1,0,1]=4 1058 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [1,0,0,1,0,0|1,0,1]=4 1059 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [1,0,0,1,0,0|2,0,0]=4 1060 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [1,0,0,1,0,0|1,0,1]=4 1061 B9R1.6 O=C(Cl)C1CCCCO1 MCULE-2871405989 [1,0,0,1,0,0|1,0,1]=4 1062 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [1,0,0,1,0,0|1,0,0]=3 1063 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [1,0,0,1,0,0|1,0,1]=4 1064 B9R1.6 O=C(O)C1CCC=CO1 MCULE-6447977583 [1,0,0,1,0,0|0,0,1]=3 1065 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [1,0,0,1,0,0|1,0,1]=4 1066 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [1,0,0,1,0,0|1,0,1]=4 1067 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [1,0,0,1,0,0|1,0,1]=4 1068 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [1,0,0,1,0,0|1,0,1]=4 1069 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [1,0,0,1,0,0|1,0,1]=4 1070 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [1,0,0,1,0,0|0,0,1]=3 1071 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [1,0,0,1,0,0|0,1,1]=4 1072 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [1,0,0,1,0,0|2,0,0]=4 1073 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [1,0,0,1,0,0|2,0,0]=4 1074 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [1,0,0,1,0,0|2,0,0]=4 1075 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [1,0,0,1,0,0|2,0,0]=4 1076 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [1,0,0,1,0,0|2,0,0]=4 1077 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [1,0,0,1,0,0|2,0,0]=4 1078 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [1,0,0,1,0,0|2,0,0]=4 1079 B9R1.6 O=C(O)C1CNCCO1 MCULE-1106448255 [1,0,0,1,0,0|1,0,1]=4 1080 B9R1.6 O=C(O)C1CNCCO1 MCULE-5402647836 [1,0,0,1,0,0|1,0,1]=4 1081 B9R1.6 O=C(O)C1CNCCO1 MCULE-5647993069 [1,0,0,1,0,0|1,0,1]=4 1082 B9R1.6 O=C(O)C1CNCCO1 MCULE-6949638629 [1,0,0,1,0,0|1,0,1]=4 1083 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [1,0,0,1,0,0|1,0,1]=4 1084 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [1,0,0,1,0,0|1,0,1]=4 1085 B9R1.6 O=C(O)C1OCCCO1 MCULE-6505925267 [1,0,0,1,0,0|1,0,1]=4 1086 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [1,0,0,1,0,0|1,0,1]=4 1087 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [1,0,0,1,0,0|1,0,1]=4 1088 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [1,0,0,1,0,0|1,0,1]=4 1089 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [1,0,0,1,0,0|1,0,1]=4 1090 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [1,0,0,1,0,0|1,0,1]=4 1091 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [1,0,0,1,0,0|1,0,1]=4 1092 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [1,0,0,1,0,0|0,0,1]=3 1093 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [1,0,0,1,0,0|0,0,1]=3 1094 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [1,0,0,1,0,0|2,0,0]=4 1095 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [1,0,0,1,0,0|2,0,0]=4 1096 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [1,0,0,1,0,0|2,0,0]=4 1097 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [1,0,0,1,0,0|2,0,0]=4 1098 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [1,0,0,1,0,0|2,0,0]=4 1099 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [1,0,0,1,0,0|2,0,0]=4 1100 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [1,0,0,1,0,0|2,0,0]=4 1101 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [1,0,0,1,0,0|2,0,0]=4 1102 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [1,0,0,1,0,0|2,0,0]=4 1103 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-3078161658 [1,0,0,1,0,0|1,0,1]=4 1104 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-4550123668 [1,0,0,1,0,0|1,0,1]=4 1105 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7218215777 [1,0,0,1,0,0|1,0,1]=4 1106 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7983160968 [1,0,0,1,0,0|1,0,1]=4 1107 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [1,0,0,1,0,0|1,0,1]=4 1108 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [1,0,0,1,0,0|1,0,1]=4 1109 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [1,0,0,1,0,0|1,0,1]=4 1110 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [1,0,0,1,0,0|1,0,1]=4 1111 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [1,0,0,1,0,0|1,0,1]=4 1112 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [1,0,0,1,0,0|1,0,1]=4 1113 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [1,0,0,1,0,0|1,0,1]=4 1114 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [1,0,0,1,0,0|1,0,1]=4 1115 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [1,0,0,1,0,0|0,0,1]=3 1116 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [1,0,0,1,0,0|0,0,1]=3 1117 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [1,0,0,1,0,0|2,0,0]=4 1118 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [1,0,0,1,0,0|2,0,0]=4 1119 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [1,0,0,1,0,0|2,0,0]=4 1120 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [1,0,0,1,0,0|2,0,0]=4 1121 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [1,0,0,1,0,0|2,0,0]=4 1122 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [1,0,0,1,0,0|2,0,0]=4 1123 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [1,0,0,1,0,0|2,0,0]=4 1124 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [1,0,0,1,0,0|2,0,0]=4 1125 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [1,0,0,1,0,0|2,0,0]=4 1126 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-1051281674 [1,0,0,1,0,0|1,0,1]=4 1127 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-2477891803 [1,0,0,1,0,0|1,0,1]=4 1128 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-5182952887 [1,0,0,1,0,0|1,0,1]=4 1129 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-6051376580 [1,0,0,1,0,0|1,0,1]=4 1130 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [1,0,0,1,0,0|1,0,1]=4 1131 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [1,0,0,1,0,0|1,0,1]=4 1132 B9R1.6 O=C([O-])C1CCC=CO1 MCULE-8478897142 [1,0,0,1,0,0|0,0,2]=4 1133 B9R1.7 C=CCC1CCC(=O)C1 MCULE-2799866455 [1,0,0,1,0,0|2,0,0]=4 1134 B9R1.7 CCCC1CCC(=O)O1 MCULE-7682573247 [1,0,0,1,0,0|1,0,1]=4 1135 B9R1.7 O=C1CCC(N1)CCO MCULE-8691061986 [1,0,0,1,0,0|1,0,1]=4 1136 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-7396523836 [1,0,0,1,0,0|1,0,1]=4 1137 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-8307506069 [1,0,0,1,0,0|1,0,1]=4 1138 B9R1.9 C=CCCC1CC(=O)N1 MCULE-8287193989 [1,0,0,1,0,0|2,0,0]=4 1139 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [1,0,0,1,0,0|1,0,1]=4 1140 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [1,0,0,1,0,0|1,0,1]=4 1141 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [1,0,0,1,0,0|2,0,0]=4 1142 B9R1.13 CC(=O)CC1C=CCC1 MCULE-6918580278 [1,0,0,1,0,0|2,0,0]=4 1143 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [1,0,0,1,0,0|1,0,1]=4 1144 B9R1.13 O=C(Cl)CC1CCCO1 MCULE-6649417514 [1,0,0,1,0,0|1,0,1]=4 1145 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [1,0,0,1,0,0|1,0,0]=3 1146 B9R1.13 O=C(O)CC1CC=CC1 MCULE-8417475923 [1,0,0,1,0,0|1,0,1]=4 1147 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [1,0,0,1,0,0|1,0,1]=4 1148 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [1,0,0,1,0,0|1,0,1]=4 1149 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [1,0,0,1,0,0|1,0,1]=4 1150 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [1,0,0,1,0,0|0,0,1]=3 1151 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [1,0,0,1,0,0|2,0,0]=4 1152 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [1,0,0,1,0,0|2,0,0]=4 1153 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [1,0,0,1,0,0|2,0,0]=4 1154 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [1,0,0,1,0,0|2,0,0]=4 1155 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [1,0,0,1,0,0|1,1,0]=4 1156 B9R1.13 O=C(O)CC1OCCO1 MCULE-2253063465 [1,0,0,1,0,0|1,0,1]=4 1157 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [1,0,0,1,0,0|1,0,1]=4 1158 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [1,0,0,1,0,0|1,0,1]=4 1159 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [1,0,0,1,0,0|1,0,1]=4 1160 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [1,0,0,1,0,0|0,0,1]=3 1161 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [1,0,0,1,0,0|2,0,0]=4 1162 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [1,0,0,1,0,0|2,0,0]=4 1163 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [1,0,0,1,0,0|2,0,0]=4 1164 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [1,0,0,1,0,0|2,0,0]=4 1165 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [1,0,0,1,0,0|2,0,0]=4 1166 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [1,0,0,1,0,0|2,0,0]=4 1167 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [1,0,0,1,0,0|1,0,1]=4 1168 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [1,0,0,1,0,0|1,0,1]=4 1169 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [1,0,0,1,0,0|1,0,1]=4 1170 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [1,0,0,1,0,0|1,0,1]=4 1171 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [1,0,0,1,0,0|2,0,0]=4 1172 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [1,0,0,1,0,0|2,0,0]=4 1173 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [1,0,0,1,0,0|2,0,0]=4 1174 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [1,0,0,1,0,0|2,0,0]=4 1175 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [1,0,0,1,0,0|2,0,0]=4 1176 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [1,0,0,1,0,0|2,0,0]=4 1177 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [1,0,0,1,0,0|1,0,1]=4 1178 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [1,0,0,1,0,0|2,0,0]=4 1179 B9R1.41 CC(=O)C1CCCC1=O MCULE-8152440536 [1,0,0,1,0,0|1,0,0]=3 1180 B9R1.41 CC(=O)C1CCOC1=O MCULE-4236075888 [1,0,0,1,0,0|2,0,0]=4 1181 B9R1.41 CC(=O)N1CCCC1=O MCULE-3328735907 [1,0,0,1,0,0|2,0,0]=4 1182 B9R1.41 CC1=C(CCC1)C(=O)O MCULE-4166872703 [1,0,0,1,0,0|1,0,1]=4 1183 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [1,0,0,1,0,0|1,0,1]=4 1184 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [1,0,0,1,0,0|2,0,0]=4 1185 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [1,0,0,1,0,0|2,0,0]=4 1186 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [1,0,0,1,0,0|2,0,0]=4 1187 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [1,0,0,1,0,0|2,0,0]=4 1188 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [1,0,0,1,0,0|2,0,0]=4 1189 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [1,0,0,1,0,0|2,0,0]=4 1190 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [1,0,0,1,0,0|2,0,0]=4 1191 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [1,0,0,1,0,0|2,0,0]=4 1192 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [1,0,0,1,0,0|2,0,0]=4 1193 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [1,0,0,1,0,0|2,0,0]=4 1194 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [1,0,0,1,0,0|2,0,0]=4 1195 B9R1.41 NC(=O)C1CCCC1=O MCULE-2399127943 [1,0,0,1,0,0|1,0,0]=3 1196 B9R1.41 NC(=O)C1CSCC1=O MCULE-9294547014 [1,0,0,1,0,0|2,0,0]=4 1197 B9R1.41 NC(=O)N1CCCC1=O MCULE-5194166141 [1,0,0,1,0,0|2,0,0]=4 1198 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O MCULE-7290076922 [1,0,0,1,0,0|1,0,1]=4 1199 B9R1.41 NC1=C(CCC1)C(=O)O MCULE-9287668193 [1,0,0,1,0,0|1,0,1]=4 1200 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [1,0,0,1,0,0|1,0,1]=4 1201 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [1,0,0,1,0,0|1,0,1]=4 1202 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [1,0,0,1,0,0|2,0,0]=4 1203 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [1,0,0,1,0,0|1,0,1]=4 1204 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [1,0,0,1,0,0|1,0,1]=4 1205 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [1,0,0,1,0,0|1,0,1]=4 1206 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [1,0,0,1,0,0|1,0,1]=4 1207 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [1,0,0,1,0,0|1,0,1]=4 1208 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [1,0,0,1,0,0|1,0,1]=4 1209 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [1,0,0,1,0,0|1,0,1]=4 1210 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [1,0,0,1,0,0|1,0,1]=4 1211 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [1,0,0,1,0,0|1,0,1]=4 1212 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [1,0,0,1,0,0|1,0,1]=4 1213 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [1,0,0,1,0,0|1,0,1]=4 1214 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [1,0,0,1,0,0|1,0,1]=4 1215 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [1,0,0,1,0,0|1,0,1]=4 1216 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [1,0,0,1,0,0|1,0,1]=4 1217 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [1,0,0,1,0,0|1,0,1]=4 1218 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [1,0,0,1,0,0|1,0,1]=4 1219 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [1,0,0,1,0,0|1,0,1]=4 1220 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [1,0,0,1,0,0|1,0,1]=4 1221 B9R1.41 O=C(Cl)C1CCCC1=O MCULE-1186628152 [1,0,0,1,0,0|1,0,0]=3 1222 B9R1.41 O=C(Cl)N1CCCC1=O MCULE-4360774967 [1,0,0,1,0,0|2,0,0]=4 1223 B9R1.41 O=C(O)C1=C(CCC1)Cl MCULE-4349801654 [1,0,0,1,0,0|1,0,1]=4 1224 B9R1.41 O=C(O)C1CCCC1=O MCULE-9500236289 [1,0,0,1,0,0|0,0,0]=2 1225 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [1,0,0,1,0,0|0,0,1]=3 1226 B9R1.41 O=C(O)C1CCNC1=O MCULE-3110303122 [1,0,0,1,0,0|1,0,0]=3 1227 B9R1.41 O=C(O)C1CCOC1=O MCULE-1545162383 [1,0,0,1,0,0|1,0,0]=3 1228 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [1,0,0,1,0,0|1,0,1]=4 1229 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [1,0,0,1,0,0|1,0,1]=4 1230 B9R1.41 O=C(O)C1CSCC1=O MCULE-2401489071 [1,0,0,1,0,0|1,0,0]=3 1231 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [1,0,0,1,0,0|1,0,1]=4 1232 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [1,0,0,1,0,0|1,0,1]=4 1233 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [1,0,0,1,0,0|1,0,1]=4 1234 B9R1.41 O=C(O)N1CCNC1=O MCULE-2423498210 [1,0,0,1,0,0|2,0,0]=4 1235 B9R1.41 O=C(O)N1CCOC1=O MCULE-1134006173 [1,0,0,1,0,0|2,0,0]=4 1236 B9R1.41 O=C(O)[C@@H]1CCNC1=O MCULE-2092808645 [1,0,0,1,0,0|1,0,0]=3 1237 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [1,0,0,1,0,0|1,0,1]=4 1238 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [1,0,0,1,0,0|1,0,1]=4 1239 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [1,0,0,1,0,0|1,0,1]=4 1240 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [1,0,0,1,0,0|1,0,1]=4 1241 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [1,0,0,1,0,0|1,0,1]=4 1242 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [1,0,0,1,0,0|1,0,1]=4 1243 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [1,0,0,1,0,0|1,0,1]=4 1244 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [1,0,0,1,0,0|1,0,1]=4 1245 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [1,0,0,1,0,0|1,0,1]=4 1246 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [1,0,0,1,0,0|1,0,1]=4 1247 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [1,0,0,1,0,0|0,0,1]=3 1248 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [1,0,0,1,0,0|1,0,1]=4 1249 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [1,0,0,1,0,0|1,0,1]=4 1250 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [1,0,0,1,0,0|1,0,1]=4 1251 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [1,0,0,1,0,0|1,0,1]=4 1252 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [1,0,0,1,0,0|1,0,1]=4 1253 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [1,0,0,1,0,0|1,0,1]=4 1254 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [1,0,0,1,0,0|1,0,1]=4 1255 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [1,0,0,1,0,0|1,0,1]=4 1256 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [1,0,0,1,0,0|1,0,1]=4 1257 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [1,0,0,1,0,0|1,0,1]=4 1258 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [1,0,0,1,0,0|1,0,1]=4 1259 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [1,0,0,1,0,0|1,0,1]=4 1260 B9R1.48 CC1=CC(=O)CCCC1 MCULE-5466118884 [1,0,0,1,0,0|2,0,0]=4 1261 B9R1.48 O=C1CCCCC(=O)C1 MCULE-7105668998 [1,0,0,1,0,0|1,0,0]=3 1262 B9R1.48 O=C1CCCCC(=O)N1 MCULE-4575266335 [1,0,0,1,0,0|1,0,0]=3 1263 B9R1.48 O=C1CCCCC(=O)O1 MCULE-7893102377 [1,0,0,1,0,0|0,0,0]=2 1264 B9R1.48 O=C1CCCCC(=S)N1 MCULE-9950295037 [1,0,0,1,0,0|1,1,0]=4 1265 B9R1.48 O=C1CCCCC(N1)O MCULE-6756895418 [1,0,0,1,0,0|1,0,1]=4 1266 B9R1.48 O=C1CCCNC(=O)C1 MCULE-3387303399 [1,0,0,1,0,0|2,0,0]=4 1267 B9R1.50 O=C1CCCCCCO1 MCULE-5149380112 [1,0,0,1,0,0|1,0,1]=4 1268 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [1,0,0,1,0,0|1,0,1]=4 1269 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [1,0,0,1,0,0|1,0,1]=4 1270 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [1,0,0,1,0,0|1,0,1]=4 1271 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [1,0,0,1,0,0|1,0,1]=4 1272 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O MCULE-9183962958 [1,0,0,1,0,0|2,0,0]=4 1273 B9R1.67 CC(=O)OC1CCC1=O MCULE-2752800385 [1,0,0,1,0,0|2,0,0]=4 1274 B9R1.67 CC(O)CC1CCC1=O MCULE-5157418140 [1,0,0,1,0,0|1,0,1]=4 1275 B9R1.84 O=C(O)CCC1CCC1 MCULE-5780532364 [1,0,0,1,0,0|1,0,1]=4 1276 B9R1.85 O=C(O)CCCC1CC1 MCULE-4019156455 [1,0,0,1,0,0|1,0,1]=4 1277 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [1,0,0,1,0,0|1,0,1]=4 1278 B9R1.96 N#CC1CCC1C(=O)O MCULE-1939970378 [1,0,0,1,0,0|1,0,1]=4 1279 B9R1.96 O=C(O)C1CCC1CO MCULE-9648982851 [1,0,0,1,0,0|0,0,1]=3 1280 B9R1.96 O=C([O-])C1CCC1CO MCULE-8666321081 [1,0,0,1,0,0|0,0,2]=4 1281 B9R1.96 O=NN1CCC1C(=O)O MCULE-4855920103 [1,0,0,1,0,0|2,0,0]=4 1282 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,1,0|1,0,0]=3 1283 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,1,1,0|0,0,0]=2 1284 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,0,0,1,1,0|2,0,0]=4 1285 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,0,0,1,1,0|1,0,0]=3 1286 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,1,1,0|2,0,0]=4 1287 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,1,1,0|2,0,0]=4 1288 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,0,0,1,1,0|1,0,1]=4 1289 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,0,0,1,1,0|1,0,1]=4 1290 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,0,0,1,1,0|1,0,1]=4 1291 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [0,0,0,1,1,0|2,0,0]=4 1292 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [0,0,0,1,1,0|2,0,0]=4 1293 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [0,0,0,1,1,0|2,0,0]=4 1294 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,1,1,0|1,0,1]=4 1295 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,1,1,0|1,0,1]=4 1296 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,1,1,0|1,0,1]=4 1297 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,1,1,0|1,0,1]=4 1298 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,1,1,0|1,0,1]=4 1299 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,1,1,0|1,0,1]=4 1300 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,1,1,0|1,0,1]=4 1301 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,0,0,1,1,0|1,0,1]=4 1302 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,0,0,1,1,0|2,0,0]=4 1303 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,1,1,0|2,0,0]=4 1304 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,0,0,1,1,0|2,0,0]=4 1305 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,1,0|1,0,0]=3 1306 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [0,0,0,1,1,0|2,0,0]=4 1307 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,1,1,0|1,0,0]=3 1308 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,1,1,0|1,0,0]=3 1309 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [0,0,0,1,1,0|1,0,1]=4 1310 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,1,1,0|0,0,0]=2 1311 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,1,1,0|0,1,0]=3 1312 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,1,0|1,0,0]=3 1313 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,1,0|1,0,0]=3 1314 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,1,1,0|1,0,0]=3 1315 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,1,1,0|1,0,0]=3 1316 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [0,0,0,1,1,0|1,0,0]=3 1317 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,1,1,0|0,0,0]=2 1318 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,1,1,0|0,0,0]=2 1319 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,1,0|1,0,0]=3 1320 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,1,0|1,0,0]=3 1321 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,1,1,0|1,0,0]=3 1322 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,1,1,0|1,0,0]=3 1323 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,1,1,0|1,0,0]=3 1324 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [0,0,0,1,1,0|1,0,1]=4 1325 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [0,0,0,1,1,0|1,0,1]=4 1326 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [0,0,0,1,1,0|1,0,0]=3 1327 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,1,1,0|0,0,0]=2 1328 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,1,1,0|0,0,0]=2 1329 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,1,1,0|0,1,0]=3 1330 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,0,0,1,1,0|2,0,0]=4 1331 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,0,0,1,1,0|2,0,0]=4 1332 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,0,0,1,1,0|2,0,0]=4 1333 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,0,0,1,1,0|2,0,0]=4 1334 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,0,0,1,1,0|2,0,0]=4 1335 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,0,0,1,1,0|2,0,0]=4 1336 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,0,0,1,1,0|2,0,0]=4 1337 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,0,0,1,1,0|2,0,0]=4 1338 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,0,0,1,1,0|2,0,0]=4 1339 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,0,0,1,1,0|2,0,0]=4 1340 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,0,0,1,1,0|2,0,0]=4 1341 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,0,0,1,1,0|2,0,0]=4 1342 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,0,0,1,1,0|2,0,0]=4 1343 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,0,0,1,1,0|2,0,0]=4 1344 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,1,1,0|2,0,0]=4 1345 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,0,0,1,1,0|2,0,0]=4 1346 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,0,0,1,1,0|2,0,0]=4 1347 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,0,0,1,1,0|1,0,0]=3 1348 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,0,0,1,1,0|2,0,0]=4 1349 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,0,0,1,1,0|2,0,0]=4 1350 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,0,0,1,1,0|2,0,0]=4 1351 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,0,0,1,1,0|2,0,0]=4 1352 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,0,0,1,1,0|1,0,0]=3 1353 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,0,0,1,1,0|1,0,0]=3 1354 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,1,1,0|2,0,0]=4 1355 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,1,1,0|2,0,0]=4 1356 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,0,0,1,1,0|2,0,0]=4 1357 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,0,0,1,1,0|2,0,0]=4 1358 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,1,1,0|2,0,0]=4 1359 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,1,1,0|2,0,0]=4 1360 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,0,0,1,1,0|2,0,0]=4 1361 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,1,1,0|1,0,0]=3 1362 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [0,0,0,1,1,0|2,0,0]=4 1363 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [0,0,0,1,1,0|1,0,0]=3 1364 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,0,0,1,1,0|1,0,0]=3 1365 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,0,0,1,1,0|1,0,0]=3 1366 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,0,0,1,1,0|0,0,0]=2 1367 B9R1.161 O=C(O)C1CC1N(=O)=O MCULE-4711426088 [0,0,0,1,1,0|1,0,1]=4 1368 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,0,0,1,1,0|1,0,0]=3 1369 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,0,0,1,1,0|0,0,0]=2 1370 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,0,0,1,1,0|0,0,0]=2 1371 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,0,0,1,1,0|0,0,0]=2 1372 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,0,0,1,1,0|1,0,0]=3 1373 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,0,0,1,1,0|1,0,0]=3 1374 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,0,0,1,1,0|0,0,0]=2 1375 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,0,0,1,1,0|0,0,0]=2 1376 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] MCULE-1350888359 [0,0,0,1,1,0|1,0,1]=4 1377 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,0,0,1,1,0|0,0,0]=2 1378 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,0,0,1,1,0|1,0,0]=3 1379 B9R1.166 O=C(O)C1CCS1(=O)=O MCULE-9812910264 [0,0,0,1,1,0|1,0,1]=4 1380 B11R1.75 CC1=NN(CC1)CCC(=O)O MCULE-4908327918 [0,0,0,1,0,1|2,0,0]=4 1381 B11R1.75 CC1CCC(O1)CCC(=O)O MCULE-5394626301 [0,0,0,1,0,1|1,0,1]=4 1382 B11R1.75 O=C(O)CCC1CCC(=O)C1 MCULE-4974585357 [0,0,0,1,0,1|1,0,0]=3 1383 B11R1.75 O=C(O)CCC1CCC(=O)N1 MCULE-5441119091 [0,0,0,1,0,1|1,0,0]=3 1384 B11R1.75 O=C(O)CCC1CCC(=O)O1 MCULE-8294926143 [0,0,0,1,0,1|0,0,0]=2 1385 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)O1 MCULE-3037208101 [0,0,0,1,0,1|0,0,0]=2 1386 B11R1.75 O=C(O)CSC1CCC(=O)N1 MCULE-5586941236 [0,0,0,1,0,1|1,0,0]=3 1387 B11R1.157 CC(=O)CC1CCCC(=O)N1 MCULE-4485387072 [0,0,0,1,0,1|2,0,0]=4 1388 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [0,0,0,1,0,1|1,0,0]=3 1389 B11R1.157 O=C(O)CC1CCCC(=O)N1 MCULE-7470301343 [0,0,0,1,0,1|1,0,0]=3 1390 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-3498688720 [0,0,0,1,0,1|1,0,0]=3 1391 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-8598228573 [0,0,0,1,0,1|1,0,0]=3 1392 B11R1.157 O=C(O)CN1CCCC(C1)O MCULE-4186047458 [0,0,0,1,0,1|1,0,1]=4 1393 B11R1.157 O=C(O)CN1CCC[C@@H](C1)O MCULE-3402932405 [0,0,0,1,0,1|1,0,1]=4 1394 B11R1.157 O=C(O)CN1CCC[C@H](C1)O MCULE-4870964189 [0,0,0,1,0,1|1,0,1]=4 1395 B11R1.157 O=C(O)CN1CCNC(=O)C1 MCULE-4021947928 [0,0,0,1,0,1|2,0,0]=4 1396 B11R1.157 O=C(O)CN1CCNC(=O)C1 MCULE-8867275494 [0,0,0,1,0,1|2,0,0]=4 1397 B11R1.157 O=C(O)CN1CCOC(=O)C1 MCULE-8468609722 [0,0,0,1,0,1|2,0,0]=4 1398 B11R1.178 CC(=O)N1CCCC1C(=O)N MCULE-3826239589 [0,0,0,1,0,1|2,0,0]=4 1399 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-1813411528 [0,0,0,1,0,1|1,0,0]=3 1400 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-9022800854 [0,0,0,1,0,1|1,0,0]=3 1401 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-1405603447 [0,0,0,1,0,1|1,0,0]=3 1402 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-9216589773 [0,0,0,1,0,1|1,0,0]=3 1403 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-2667654412 [0,0,0,1,0,1|2,0,0]=4 1404 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-3510789923 [0,0,0,1,0,1|2,0,0]=4 1405 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-1169221802 [0,0,0,1,0,1|1,0,0]=3 1406 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-9915147289 [0,0,0,1,0,1|1,0,0]=3 1407 B11R1.178 CC(=O)N1CCS[C@H]1C(=O)O MCULE-1643107830 [0,0,0,1,0,1|2,0,0]=4 1408 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-6153628068 [0,0,0,1,0,1|2,0,0]=4 1409 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-9095175540 [0,0,0,1,0,1|2,0,0]=4 1410 B11R1.178 CC(=O)N1CSC[C@@H]1C(=O)O MCULE-5248938328 [0,0,0,1,0,1|2,0,0]=4 1411 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-4068934366 [0,0,0,1,0,1|2,0,0]=4 1412 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-8624310818 [0,0,0,1,0,1|2,0,0]=4 1413 B11R1.178 N=C(N)N1CCCC1C(=O)O MCULE-4919079296 [0,0,0,1,0,1|2,0,0]=4 1414 B11R1.178 NC(=O)C1CCCC1C(=O)N MCULE-4017914562 [0,0,0,1,0,1|2,0,0]=4 1415 B11R1.178 NC(=O)N1CCCC1C(=O)O MCULE-2099814008 [0,0,0,1,0,1|1,0,0]=3 1416 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-1581234645 [0,0,0,1,0,1|1,0,0]=3 1417 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-2695707693 [0,0,0,1,0,1|1,0,0]=3 1418 B11R1.178 NC(=S)N1CCCC1C(=O)O MCULE-7138642484 [0,0,0,1,0,1|1,1,0]=4 1419 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O MCULE-7488890401 [0,0,0,1,0,1|0,0,1]=3 1420 B11R1.178 O=C(O)C1CCCC1C(=O)O MCULE-1370613174 [0,0,0,1,0,1|0,0,0]=2 1421 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-2316581520 [0,0,0,1,0,1|0,0,0]=2 1422 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-9331741117 [0,0,0,1,0,1|0,0,0]=2 1423 B11R1.178 O=C(O)C1COCC1C(=O)O MCULE-4469020347 [0,0,0,1,0,1|0,0,0]=2 1424 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)O MCULE-1970767326 [0,0,0,1,0,1|0,0,0]=2 1425 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-5772739452 [0,0,0,1,0,1|0,0,0]=2 1426 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-6923663809 [0,0,0,1,0,1|0,0,0]=2 1427 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O MCULE-7094844570 [0,0,0,1,0,1|0,0,0]=2 1428 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O MCULE-2959853524 [0,0,0,1,0,1|0,0,0]=2 1429 B11R1.178 O=C(O)[C@@H]1COC[C@H]1C(=O)O MCULE-9190757159 [0,0,0,1,0,1|0,0,0]=2 1430 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O MCULE-2898188373 [0,0,0,1,0,1|0,0,0]=2 1431 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-4154653911 [0,0,0,1,0,1|0,0,0]=2 1432 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-5321587208 [0,0,0,1,0,1|0,0,0]=2 1433 B11R1.234 O=C(O)CC1CCCS1(=O)=O MCULE-9153779974 [0,0,0,1,0,1|1,0,1]=4 1434 B11R1.234 O=C(O)CN1CCCS1(=O)=O MCULE-1444102239 [0,0,0,1,0,1|1,0,1]=4 1435 B11R1.497 CC(=O)C1CCCCC(=O)C1 MCULE-8090726810 [0,0,0,1,0,1|2,0,0]=4 1436 B11R1.497 NC(=O)C1CSCCC(=O)N1 MCULE-9167752507 [0,0,0,1,0,1|2,0,0]=4 1437 B11R1.497 O=C(O)C1CCCCC(C1)O MCULE-8775414897 [0,0,0,1,0,1|1,0,1]=4 1438 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [0,0,0,1,0,1|1,0,0]=3 1439 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [0,0,0,1,0,1|1,0,0]=3 1440 B11R1.497 O=C1CCSCC(N1)C(=O)O MCULE-1237852498 [0,0,0,1,0,1|1,0,0]=3 1441 B11R1.740 O=C(O)CC1CC1CC(=O)O MCULE-8348402050 [0,0,0,1,0,1|0,0,0]=2 1442 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 MCULE-3738522082 [0,1,0,1,0,0|1,0,1]=4 1443 B11R1.710 O=C(O)CC1CCS(=O)(=O)N1 MCULE-2810155432 [0,1,0,1,0,0|1,0,1]=4 1444 B11R1.730 CC1(CCCC(O1)C(=O)O)C MCULE-6134883479 [0,1,0,1,0,0|1,0,1]=4 1445 B11R1.730 O=C(O)C1CCCS(=O)(=O)C1 MCULE-2941931058 [0,1,0,1,0,0|1,0,1]=4 1446 B11R1.20 O=C(O)CC1CCC(=O)CC1 MCULE-2016363878 [0,1,0,1,0,0|1,0,0]=3 1447 B11R1.20 O=C(O)CC1CCC(=O)NC1 MCULE-8185955859 [0,1,0,1,0,0|1,0,0]=3 1448 B11R1.20 O=C(O)CC1CCC(CC1)O MCULE-4327900578 [0,1,0,1,0,0|1,0,1]=4 1449 B11R1.20 O=C(O)CN1CCC(=O)CC1 MCULE-3025420805 [0,1,0,1,0,0|2,0,0]=4 1450 B11R1.20 O=C(O)CN1CCC(=O)CC1 MCULE-8201873344 [0,1,0,1,0,0|2,0,0]=4 1451 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O MCULE-4456637498 [0,1,0,1,0,0|1,0,1]=4 1452 B11R1.20 O=C(O)C[C@H]1CC[C@H](CC1)O MCULE-7150660975 [0,1,0,1,0,0|1,0,1]=4 1453 B11R1.23 COC(=O)C1=CC(=O)CCC1 MCULE-9379833788 [0,1,0,1,0,0|1,0,1]=4 1454 B11R1.23 COC(=O)C1CC(=O)CCN1 MCULE-2957789839 [0,1,0,1,0,0|2,0,0]=4 1455 B11R1.23 COC(=O)C1CC(=O)CCN1 MCULE-7628754673 [0,1,0,1,0,0|2,0,0]=4 1456 B11R1.23 COC(=O)C1CCCC(=O)C1 MCULE-4326233018 [0,1,0,1,0,0|1,0,0]=3 1457 B11R1.23 COC(=O)C1CCCC(=O)N1 MCULE-8690572370 [0,1,0,1,0,0|1,0,0]=3 1458 B11R1.23 COC(=O)C1CCCC(C1)O MCULE-7531952837 [0,1,0,1,0,0|1,0,1]=4 1459 B11R1.23 COC(=O)C1CCNC(=O)C1 MCULE-4250140902 [0,1,0,1,0,0|2,0,0]=4 1460 B11R1.23 COC(=O)C1CNCC(=O)N1 MCULE-4044240233 [0,1,0,1,0,0|2,0,0]=4 1461 B11R1.23 COC(=O)C1COCC(=O)C1 MCULE-9367979634 [0,1,0,1,0,0|2,0,0]=4 1462 B11R1.23 COC(=O)N1CCCC(=O)C1 MCULE-1429565297 [0,1,0,1,0,0|2,0,0]=4 1463 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 MCULE-2526553506 [0,1,0,1,0,0|2,0,0]=4 1464 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 MCULE-6095368090 [0,1,0,1,0,0|2,0,0]=4 1465 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 MCULE-6640888029 [0,1,0,1,0,0|1,0,0]=3 1466 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)O MCULE-2826570915 [0,1,0,1,0,0|1,0,1]=4 1467 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)O MCULE-5275681878 [0,1,0,1,0,0|1,0,1]=4 1468 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)O MCULE-1752010928 [0,1,0,1,0,0|1,0,1]=4 1469 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)O MCULE-3751397536 [0,1,0,1,0,0|1,0,1]=4 1470 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 MCULE-2739256690 [0,1,0,1,0,0|2,0,0]=4 1471 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 MCULE-5386964384 [0,1,0,1,0,0|2,0,0]=4 1472 B11R1.23 COC(=O)[C@@H]1COCC(=O)C1 MCULE-3601624499 [0,1,0,1,0,0|2,0,0]=4 1473 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 MCULE-1252511775 [0,1,0,1,0,0|1,0,0]=3 1474 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 MCULE-8974857056 [0,1,0,1,0,0|1,0,0]=3 1475 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)O MCULE-1036732191 [0,1,0,1,0,0|1,0,1]=4 1476 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)O MCULE-7022445698 [0,1,0,1,0,0|1,0,1]=4 1477 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)O MCULE-2298116384 [0,1,0,1,0,0|1,0,1]=4 1478 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)O MCULE-4413710460 [0,1,0,1,0,0|1,0,1]=4 1479 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)O MCULE-9938371951 [0,1,0,1,0,0|1,0,1]=4 1480 B11R1.23 COC(=O)[C@H]1CCNC(=O)C1 MCULE-9706628315 [0,1,0,1,0,0|2,0,0]=4 1481 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 MCULE-7434283814 [0,1,0,1,0,0|2,0,0]=4 1482 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 MCULE-9904980974 [0,1,0,1,0,0|2,0,0]=4 1483 B11R1.39 COC(=O)CC1CCC(=O)C1 MCULE-1837052174 [0,1,0,1,0,0|1,0,0]=3 1484 B11R1.39 COC(=O)CC1CCC(=O)N1 MCULE-6926927013 [0,1,0,1,0,0|1,0,0]=3 1485 B11R1.39 COC(=O)CC1CCC(C1)O MCULE-9379799773 [0,1,0,1,0,0|1,0,1]=4 1486 B11R1.39 COC(=O)CC1CNC(=O)C1 MCULE-3287539263 [0,1,0,1,0,0|2,0,0]=4 1487 B11R1.39 COC(=O)C[C@@H]1CCC(=O)C1 MCULE-7623889754 [0,1,0,1,0,0|1,0,0]=3 1488 B11R1.39 COC(=O)C[C@@H]1CCC(=O)N1 MCULE-5307570980 [0,1,0,1,0,0|1,0,0]=3 1489 B11R1.39 COC(=O)C[C@@H]1CC[C@@H](C1)O MCULE-6958645109 [0,1,0,1,0,0|1,0,1]=4 1490 B11R1.39 COC(=O)C[C@@H]1CC[C@H](C1)O MCULE-5743866291 [0,1,0,1,0,0|1,0,1]=4 1491 B11R1.39 COC(=O)C[C@@H]1CC[C@H](C1)O MCULE-9442451073 [0,1,0,1,0,0|1,0,1]=4 1492 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 MCULE-2951837540 [0,1,0,1,0,0|1,0,0]=3 1493 B11R1.39 COC(=O)C[C@H]1CC[C@H](C1)O MCULE-9303774221 [0,1,0,1,0,0|1,0,1]=4 1494 B11R1.43 O=C(O)CC1CCC(=NO)C1 MCULE-9991838441 [0,1,0,1,0,0|1,0,0]=3 1495 B11R1.159 CN1C(=O)CCCC1C(=O)O MCULE-2434427513 [0,1,0,1,0,0|1,0,0]=3 1496 B11R1.159 CN1C(=O)NCCC1C(=O)O MCULE-7085809876 [0,1,0,1,0,0|2,0,0]=4 1497 B11R1.159 O=C(O)C1CCCC(C1=O)Br MCULE-3186177717 [0,1,0,1,0,0|1,0,1]=4 1498 B11R1.224 COC(=O)CCC1CC(=O)C1 MCULE-9264058896 [0,1,0,1,0,0|1,0,0]=3 1499 B11R1.266 COC1CCCC(C1)C(=O)O MCULE-5456384162 [0,1,0,1,0,0|1,0,1]=4 1500 B11R1.266 CO[C@H]1CCC[C@H](C1)C(=O)O MCULE-4087120684 [0,1,0,1,0,0|1,0,1]=4 1501 B11R1.266 O=C(O)C1CCCC(=NO)C1 MCULE-8609222770 [0,1,0,1,0,0|1,0,0]=3 1502 B11R1.266 O=C(O)C1CCCC(C1)CO MCULE-5244716212 [0,1,0,1,0,0|1,0,1]=4 1503 B11R1.266 O=CN1CCCC(C1)C(=O)O MCULE-9603483269 [0,1,0,1,0,0|2,0,0]=4 1504 B11R1.313 CN1C(=O)CCC1CC(=O)O MCULE-1301520944 [0,1,0,1,0,0|1,0,0]=3 1505 B11R1.313 CN1CCC(C1=O)CC(=O)O MCULE-7401738554 [0,1,0,1,0,0|2,0,0]=4 1506 B11R1.565 O=C1CCC(CCN1)C(=O)O MCULE-3530109531 [0,1,0,1,0,0|2,0,0]=4 1507 B11R1.565 O=C1CCC(CCO1)C(=O)O MCULE-4871150325 [0,1,0,1,0,0|2,0,0]=4 1508 B11R1.565 O=C1CCCC(CC1)C(=O)O MCULE-9475795957 [0,1,0,1,0,0|1,0,0]=3 1509 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O MCULE-2958186568 [0,1,0,1,0,0|0,0,0]=2 1510 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O MCULE-6300691450 [0,1,0,1,0,0|0,0,0]=2 1511 B11R1.870 COC(=O)C1CCC1C(=O)O MCULE-1249439118 [0,1,0,1,0,0|0,0,0]=2 1512 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O MCULE-3410242661 [0,1,0,1,0,0|0,0,0]=2 1513 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O MCULE-6051976113 [0,1,0,1,0,0|0,0,0]=2 1514 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O MCULE-1075146717 [0,1,0,1,0,0|0,0,0]=2 1515 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O MCULE-3918400311 [0,1,0,1,0,0|0,0,0]=2 1516 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O MCULE-1475117037 [0,1,0,1,0,0|0,0,0]=2 1517 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O MCULE-5543248614 [0,1,0,1,0,0|0,0,0]=2 1518 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O MCULE-1277383047 [0,1,0,1,0,0|0,0,0]=2 1519 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O MCULE-1925715721 [0,1,0,1,0,0|0,0,0]=2 1520 B11R1.870 [C@@H]1(CC[C@H]1C(=O)O)C(=O)OC MCULE-6773676736 [0,1,0,1,0,0|0,0,0]=2 1521 B11R1.74 O=C1CC(=O)CC(C1)C(=O)O MCULE-2619134082 [0,1,0,1,0,0|1,0,1]=4 1522 B11R1.167 O=C1CCC(=O)[C@H](N1)C(=O)O MCULE-5858965627 [0,1,0,1,0,0|1,0,1]=4 1523 B11R1.21 CC1SCC(NC1=O)C(=O)O MCULE-5715274470 [0,1,0,1,0,0|2,0,0]=4 1524 B11R1.21 CN1CCC(CC1=O)C(=O)O MCULE-7427834297 [0,1,0,1,0,0|2,0,0]=4 1525 B11R1.21 CN1CC[C@@H](CC1=O)C(=O)O MCULE-5366315291 [0,1,0,1,0,0|2,0,0]=4 1526 B11R1.21 CN1CC[C@@H](CC1=O)C(=O)O MCULE-9736243500 [0,1,0,1,0,0|2,0,0]=4 1527 B11R1.21 N[C@H]1CC[C@H](C[C@@H]1O)C(=O)O MCULE-5165144051 [0,1,0,1,0,0|1,0,1]=4 1528 B11R1.21 N[C@H]1CC[C@H](C[C@@H]1O)C(=O)O MCULE-9735389419 [0,1,0,1,0,0|1,0,1]=4 1529 B11R1.80 CC(=O)CC1CC(C(=O)O1)C MCULE-9835948088 [0,1,0,1,0,0|1,0,0]=3 1530 B11R1.80 CN1CC(CC1=O)CC(=O)O MCULE-3885249901 [0,1,0,1,0,0|2,0,0]=4 1531 B11R1.175 CC(=O)N1CCC(C1)C(=O)O MCULE-5992331860 [0,1,0,1,0,0|2,0,0]=4 1532 B11R1.175 NC(=O)C1CCC(C1)C(=O)N MCULE-8767684892 [0,1,0,1,0,0|2,0,0]=4 1533 B11R1.175 NC(=O)C1CCC(C1)C(=O)O MCULE-6317737981 [0,1,0,1,0,0|1,0,0]=3 1534 B11R1.175 NC(=O)C1CCC(S1)C(=O)N MCULE-1885586090 [0,1,0,1,0,0|2,0,0]=4 1535 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9051441174 [0,1,0,1,0,0|1,0,0]=3 1536 B11R1.175 NC(=O)[C@@H]1CC[C@@H](S1)C(=O)N MCULE-2420598596 [0,1,0,1,0,0|2,0,0]=4 1537 B11R1.175 O=C(O)C1CCC(C1)C(=O)O MCULE-5582697343 [0,1,0,1,0,0|0,0,0]=2 1538 B11R1.175 O=C(O)C1CCC(O1)C(=O)O MCULE-3136124682 [0,1,0,1,0,0|0,0,0]=2 1539 B11R1.175 O=C(O)C1CNC(C1)C(=O)O MCULE-8937278367 [0,1,0,1,0,0|1,0,0]=3 1540 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [0,1,0,1,0,0|1,0,0]=3 1541 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [0,1,0,1,0,0|0,0,0]=2 1542 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-5651042358 [0,1,0,1,0,0|0,0,0]=2 1543 B11R1.175 O=C(O)[C@@H]1CC[C@H](C1)C(=O)O MCULE-4158551450 [0,1,0,1,0,0|0,0,0]=2 1544 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1390451256 [0,1,0,1,0,0|1,0,0]=3 1545 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7979026465 [0,1,0,1,0,0|1,0,0]=3 1546 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-9063795349 [0,1,0,1,0,0|1,0,0]=3 1547 B11R1.175 O=C(O)[C@@H]1CN[C@H](C1)C(=O)O MCULE-5420917584 [0,1,0,1,0,0|1,0,0]=3 1548 B11R1.175 O=C(O)[C@@H]1C[C@H](CN1)C(=O)O MCULE-2467535885 [0,1,0,1,0,0|1,0,0]=3 1549 B11R1.175 O=C(O)[C@H]1CC[C@@H](C1)C(=O)O MCULE-1705160233 [0,1,0,1,0,0|0,0,0]=2 1550 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O MCULE-9410279128 [0,1,0,1,0,0|0,0,0]=2 1551 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 MCULE-4842292622 [0,1,0,1,0,0|1,0,0]=3 1552 B11R1.667 CC1(CCNC(=O)C1)C(=O)O MCULE-9095450827 [0,1,0,1,0,0|2,0,0]=4 1553 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,1,0,1,0,0|0,0,0]=2 1554 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,1,0,1,0,0|0,0,0]=2 1555 B11R1.704 [C@@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-9452045165 [0,1,0,1,0,0|0,0,0]=2 1556 B11R1.704 [C@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-8026317060 [0,1,0,1,0,0|0,0,0]=2 1557 B11R1.1386 CC1(CCCS1(=O)=O)C(=O)O MCULE-5132755765 [0,1,0,1,0,0|1,0,1]=4 1558 B11R2.139 O=C1CC2CC(=O)CC2C1 MCULE-8927465013 [0,0,0,2,0,0|2,0,0]=4 1559 B11R2.530 O=C(O)C1C2C1C(=O)CC2 MCULE-6727222040 [0,0,0,2,0,0|1,0,0]=3 1560 B11R2.845 O=C(O)C1CC2CCC1O2 MCULE-9965391385 [0,0,0,2,0,0|1,0,1]=4 1561 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 MCULE-6313349669 [0,0,0,2,0,0|1,0,1]=4 1562 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 MCULE-3955948018 [0,0,0,2,0,0|1,0,1]=4 1563 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 MCULE-8797585481 [0,0,0,2,0,0|1,0,1]=4 1564 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@H]1O2 MCULE-4412449728 [0,0,0,2,0,0|1,0,1]=4 1565 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1O2 MCULE-5321903258 [0,0,0,2,0,0|1,0,1]=4 1566 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@H]1O2 MCULE-4984104670 [0,0,0,2,0,0|1,0,1]=4 1567 B11R2.845 [C@@H]12CC[C@@H](O1)[C@@H](C2)C(=O)O MCULE-7503285059 [0,0,0,2,0,0|1,0,1]=4 1568 B11R2.845 [C@@H]12CC[C@@H](O1)[C@H](C2)C(=O)O MCULE-4865345596 [0,0,0,2,0,0|1,0,1]=4 1569 B11R2.706 O=C(O)C1CC12CC(C2)O MCULE-2750457813 [0,0,0,2,0,0|1,0,1]=4 1570 B11R2.47 O=C1CC2CCC1CC2=O MCULE-3954884710 [0,0,0,2,0,0|2,0,0]=4 1571 B11R2.47 O=C1NC2CCC1NC2=O MCULE-2265765938 [0,0,0,2,0,0|2,0,0]=4 1572 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,2,0|2,0,0]=4 1573 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,2,0|2,0,0]=4 1574 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,2,0|2,0,0]=4 1575 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,2,0|2,0,0]=4 1576 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,2,0|2,0,0]=4 1577 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,2,0|1,0,0]=3 1578 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,2,0|1,0,1]=4 1579 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,2,0|2,0,0]=4 1580 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,2,0|2,0,0]=4 1581 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,2,0|2,0,0]=4 1582 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,2,0|1,0,1]=4 1583 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,2,0|2,0,0]=4 1584 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,2,0|2,0,0]=4 1585 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,2,0|1,0,0]=3 1586 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,2,0|2,0,0]=4 1587 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,2,0|2,0,0]=4 1588 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,0,0,0,2,0|2,0,0]=4 1589 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,2,0|0,0,2]=4 1590 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,2,0|0,0,2]=4 1591 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,2,0|0,0,2]=4 1592 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,2,0|0,0,2]=4 1593 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,2,0|0,0,2]=4 1594 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,2,0|0,0,2]=4 1595 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,2,0|0,0,2]=4 1596 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,2,0|0,0,2]=4 1597 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,2,0|0,0,2]=4 1598 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,2,0|1,0,1]=4 1599 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,2,0|0,0,0]=2 1600 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,2,0|0,0,0]=2 1601 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,2,0|1,0,1]=4 1602 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,2,0|2,0,0]=4 1603 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,2,0|0,0,1]=3 1604 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,0,0,0,2,0|0,0,2]=4 1605 B11R0.30 C=C(Br)CCCCCCC(=O)O MCULE-6895852201 [0,0,0,0,0,2|2,0,0]=4 1606 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [0,0,0,0,0,2|2,0,0]=4 1607 B11R0.30 C=C(Cl)CCCCCCC(=O)O MCULE-6082663554 [0,0,0,0,0,2|2,0,0]=4 1608 B11R0.30 CC(=O)CCCCCCC(=O)C MCULE-3854362746 [0,0,0,0,0,2|2,0,0]=4 1609 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [0,0,0,0,0,2|1,0,0]=3 1610 B11R0.30 CC(=O)NCCCCCC(=O)Cl MCULE-3079585004 [0,0,0,0,0,2|2,0,0]=4 1611 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [0,0,0,0,0,2|1,0,0]=3 1612 B11R0.30 CC(=O)NCCCCNC(=O)C MCULE-9435743413 [0,0,0,0,0,2|2,0,0]=4 1613 B11R0.30 CC(=O)OCCCCOC(=O)C MCULE-1931173171 [0,0,0,0,0,2|2,0,0]=4 1614 B11R0.30 CC(=O)SCCCCCC(=O)O MCULE-7058924302 [0,0,0,0,0,2|1,0,0]=3 1615 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [0,0,0,0,0,2|1,0,1]=4 1616 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-3719990664 [0,0,0,0,0,2|2,0,0]=4 1617 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-6681139380 [0,0,0,0,0,2|2,0,0]=4 1618 B11R0.30 NC(=O)CCSSCCC(=O)N MCULE-5939885983 [0,0,0,0,0,2|2,0,0]=4 1619 B11R0.30 NC(=O)NCCCCCC(=O)O MCULE-5723327422 [0,0,0,0,0,2|1,0,0]=3 1620 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl MCULE-1634153909 [0,0,0,0,0,2|2,0,0]=4 1621 B11R0.30 O=C(Cl)OCCCCOC(=O)Cl MCULE-2439516871 [0,0,0,0,0,2|2,0,0]=4 1622 B11R0.30 O=C(O)CC/C=C/CCC(=O)O MCULE-1948311077 [0,0,0,0,0,2|0,0,0]=2 1623 B11R0.30 O=C(O)CCC=CCCC(=O)O MCULE-2875946233 [0,0,0,0,0,2|0,0,0]=2 1624 B11R0.30 O=C(O)CCCCCCC(=O)O MCULE-1380155289 [0,0,0,0,0,2|0,0,0]=2 1625 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2095125616 [0,0,0,0,0,2|0,0,0]=2 1626 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2375984351 [0,0,0,0,0,2|0,0,0]=2 1627 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-6189914759 [0,0,0,0,0,2|0,0,0]=2 1628 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-8504773832 [0,0,0,0,0,2|0,0,0]=2 1629 B11R0.30 O=C(O)CCSSCCC(=O)O MCULE-3923810057 [0,0,0,0,0,2|0,0,0]=2 1630 B11R0.30 O=C(O)CNCCNCC(=O)O MCULE-1432102503 [0,0,0,0,0,2|0,0,0]=2 1631 B11R0.30 O=C(O)COCCOCC(=O)O MCULE-8327328188 [0,0,0,0,0,2|0,0,0]=2 1632 B11R0.30 O=C(O)CSCCSCC(=O)O MCULE-2894370528 [0,0,0,0,0,2|0,0,0]=2