0 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.28 C=C(C)CNCC(=C)C MCULE-9045522543 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.28 CC(O)CNCC(C)O MCULE-2715190259 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,0,0,0,0,0|4,0,0]=4 29 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,0,0,0,0,0|4,0,0]=4 30 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,0,0,0,0,0|4,0,0]=4 31 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,0,0,0,0,0|4,0,0]=4 32 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,0,0,0,0,0|3,1,0]=4 34 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,0,0|2,0,0]=2 36 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,0,0,0,0,0|2,0,0]=2 38 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,0,0|1,0,0]=1 39 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,0,0|2,0,0]=2 40 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,0,0,0,0,0|3,0,0]=3 41 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,0,0|2,0,0]=2 42 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,0,0|3,0,0]=3 44 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [0,0,0,0,0,0|2,0,2]=4 45 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,0,0,0,0|3,1,0]=4 46 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,0,0,0,0,0|3,0,0]=3 47 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,0,0,0,0|1,0,1]=2 49 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,0,0,0,0|1,0,1]=2 50 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,0,0|1,0,0]=1 51 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,0,0,0,0,0|2,0,1]=3 53 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,0,0|0,0,0]=0 54 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,0,0|1,0,0]=1 55 B8R0.28 O=C(O)COCC(F)F MCULE-2599944385 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,0,0|1,0,0]=1 57 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,0,0,0,0,0|1,0,2]=3 58 B8R0.28 O=C([O-])CNCC(=O)[O-] MCULE-1067264838 [0,0,0,0,0,0|0,0,2]=2 59 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,0,0|1,0,1]=2 60 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,0,0|1,0,1]=2 61 B8R0.28 OC(=S)COCC(=S)O MCULE-1054878793 [0,0,0,0,0,0|1,2,0]=3 62 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.4 C=CCNCC(=C)Br MCULE-1736421894 [1,0,0,0,0,0|3,0,0]=4 71 B7R0.4 C=CCNCC(=C)Br MCULE-1835425145 [1,0,0,0,0,0|3,0,0]=4 72 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,0,0,0,0,0|2,0,0]=3 75 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,0,0,0,0,0|2,0,1]=4 77 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.4 CC(O)CNCCO MCULE-4873845500 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,0,0,0,0,0|1,0,1]=3 85 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,0,0,0,0,0|1,0,1]=3 86 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,0,0,0,0,0|3,0,0]=4 89 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,0,0,0,0,0|3,0,0]=4 90 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,0,0,0,0,0|3,0,0]=4 91 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,0,0,0,0,0|3,0,0]=4 92 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.4 NC(=O)COCCO MCULE-3158372920 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,0,0,0,0,0|1,0,1]=3 102 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,0,0,0,0,0|1,0,1]=3 103 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,0,0,0,0,0|2,0,1]=4 104 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,0,0,0,0,0|2,0,1]=4 106 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,0,0,0,0,0|2,0,1]=4 107 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,0,0,0,0,0|3,0,0]=4 108 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,0,0,0,0,0|3,0,0]=4 109 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [1,0,0,0,0,0|1,0,2]=4 110 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,0,0,0,0,0|2,0,1]=4 111 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,0,0,0,0,0|1,0,1]=3 114 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,0,0,0,0,0|1,1,1]=4 115 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,0,0,0,0,0|0,0,1]=2 116 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,0,0,0,0,0|1,0,1]=3 120 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,0,0,0,0,0|2,0,1]=4 121 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,0,0,0,0,0|1,0,1]=3 122 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,0,0,0,0,0|1,0,2]=4 123 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [1,0,0,0,0,0|1,0,2]=4 124 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,0,0,0,0,0|1,0,0]=2 125 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [0,1,0,0,0,0|3,0,0]=4 126 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [0,1,0,0,0,0|3,0,0]=4 127 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,1,0,0,0,0|2,0,0]=3 128 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [0,1,0,0,0,0|3,0,0]=4 129 B9R0.1 CN(CCCC(=O)O)N=O MCULE-9429394767 [0,1,0,0,0,0|3,0,0]=4 130 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [0,1,0,0,0,0|2,0,0]=3 131 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [0,1,0,0,0,0|2,0,0]=3 132 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [0,1,0,0,0,0|3,0,0]=4 133 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [0,1,0,0,0,0|2,0,0]=3 134 B9R0.1 COC(=O)CCCC(=O)Cl MCULE-6036333168 [0,1,0,0,0,0|2,0,0]=3 135 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [0,1,0,0,0,0|1,0,0]=2 136 B9R0.1 COC(=O)CCCC(=S)N MCULE-8415864487 [0,1,0,0,0,0|2,1,0]=4 137 B9R0.1 COC(=O)CCCN(=O)=O MCULE-6885475719 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [0,1,0,0,0,0|3,0,0]=4 139 B9R0.1 COC(=O)CCNC(=O)N MCULE-9678867682 [0,1,0,0,0,0|3,0,0]=4 140 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [0,1,0,0,0,0|0,0,0]=1 141 B9R0.1 COC(=O)CNCC(C)C MCULE-6522627999 [0,1,0,0,0,0|2,0,1]=4 142 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [0,1,0,0,0,0|2,0,0]=3 143 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [0,1,0,0,0,0|1,0,0]=2 144 B9R0.1 COC(=O)CSCC(=O)C MCULE-7264442650 [0,1,0,0,0,0|2,0,0]=3 145 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [0,1,0,0,0,0|1,0,0]=2 146 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [0,1,0,0,0,0|2,0,0]=3 147 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [0,1,0,0,0,0|2,0,0]=3 148 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [0,1,0,0,0,0|2,0,0]=3 149 B9R0.1 NCC(=O)ONCC(=O)O MCULE-2802022381 [0,1,0,0,0,0|2,0,0]=3 150 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [0,1,0,0,0,0|1,0,2]=4 151 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [0,1,0,0,0,0|3,0,0]=4 152 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [0,1,0,0,0,0|3,0,0]=4 153 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [0,1,0,0,0,0|2,0,0]=3 154 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,1,0,0,0,0|1,0,1]=3 155 B9R0.7 C=C(C)C(=O)NCC(=O)O MCULE-9965285150 [0,1,0,0,0,0|2,0,1]=4 156 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,1,0,0,0,0|1,0,1]=3 157 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,1,0,0,0,0|2,0,0]=3 158 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,1,0,0,0,0|2,0,1]=4 159 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,1,0,0,0,0|3,0,0]=4 160 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,1,0,0,0,0|3,0,0]=4 161 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,1,0,0,0,0|3,0,0]=4 162 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,1,0,0,0,0|3,0,0]=4 163 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,1,0,0,0,0|3,0,0]=4 164 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,1,0,0,0,0|3,0,0]=4 165 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,1,0,0,0,0|3,0,0]=4 166 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,1,0,0,0,0|3,0,0]=4 167 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,1,0,0,0,0|3,0,0]=4 168 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,1,0,0,0,0|3,0,0]=4 169 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,1,0,0,0,0|3,0,0]=4 170 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,1,0,0,0,0|3,0,0]=4 171 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,1,0,0,0,0|3,0,0]=4 172 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,1,0,0,0,0|3,0,0]=4 173 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,1,0,0,0,0|3,0,0]=4 174 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,1,0,0,0,0|3,0,0]=4 175 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,1,0,0,0,0|3,0,0]=4 176 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,1,0,0,0,0|3,0,0]=4 177 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,1,0,0,0,0|3,0,0]=4 178 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,1,0,0,0,0|3,0,0]=4 179 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,1,0,0,0,0|1,0,0]=2 180 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,1,0,0,0,0|1,0,0]=2 181 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,1,0,0,0,0|3,0,0]=4 182 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,1,0,0,0,0|0,0,0]=1 183 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,1,0,0,0,0|0,0,0]=1 184 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,1,0,0,0,0|1,0,0]=2 185 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,1,0,0,0,0|3,0,0]=4 186 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,1,0,0,0,0|3,0,0]=4 187 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,1,0,0,0,0|3,0,0]=4 188 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,1,0,0,0,0|3,0,0]=4 189 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,1,0,0,0,0|3,0,0]=4 190 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,1,0,0,0,0|3,0,0]=4 191 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,1,0,0,0,0|1,0,0]=2 192 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,1,0,0,0,0|1,0,0]=2 193 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,1,0,0,0,0|1,0,0]=2 194 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,1,0,0,0,0|2,0,1]=4 195 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,1,0,0,0,0|0,0,0]=1 196 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,1,0,0,0,0|0,0,0]=1 197 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,1,0,0,0,0|2,0,0]=3 198 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,1,0,0,0,0|2,0,0]=3 199 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,1,0,0,0,0|2,0,0]=3 200 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,1,0,0,0,0|3,0,0]=4 201 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,1,0,0,0,0|3,0,0]=4 202 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,1,0,0,0,0|3,0,0]=4 203 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,1,0,0,0,0|3,0,0]=4 204 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,1,0,0,0,0|2,0,0]=3 205 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,1,0,0,0,0|2,0,0]=3 206 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,1,0,0,0,0|3,0,0]=4 207 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,1,0,0,0,0|3,0,0]=4 208 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,1,0,0,0,0|3,0,0]=4 209 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,1,0,0,0,0|3,0,0]=4 210 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,1,0,0,0,0|2,0,0]=3 211 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,1,0,0,0,0|2,0,0]=3 212 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,1,0,0,0,0|3,0,0]=4 213 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,1,0,0,0,0|3,0,0]=4 214 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,1,0,0,0,0|3,0,0]=4 215 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,1,0,0,0,0|3,0,0]=4 216 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,1,0,0,0,0|3,0,0]=4 217 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,1,0,0,0,0|3,0,0]=4 218 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,1,0,0,0,0|2,0,0]=3 219 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,1,0,0,0,0|2,0,0]=3 220 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,1,0,0,0,0|2,0,0]=3 221 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,1,0,0,0,0|2,0,0]=3 222 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,1,0,0,0,0|2,0,0]=3 223 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,1,0,0,0,0|2,0,0]=3 224 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,1,0,0,0,0|1,0,0]=2 225 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,1,0,0,0,0|1,0,0]=2 226 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,1,0,0,0,0|1,0,0]=2 227 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,1,0,0,0,0|1,0,1]=3 228 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,1,0,0,0,0|1,0,0]=2 229 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,1,0,0,0,0|1,0,0]=2 230 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,1,0,0,0,0|1,0,0]=2 231 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,1,0,0,0,0|1,0,0]=2 232 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,1,0,0,0,0|1,0,0]=2 233 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,1,0,0,0,0|1,0,1]=3 234 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,1,0,0,0,0|1,0,2]=4 235 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,1,0,0,0,0|1,0,1]=3 236 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,1,0,0,0,0|1,0,1]=3 237 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,1,0,0,0,0|1,0,0]=2 238 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,1,0,0,0,0|1,0,0]=2 239 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,1,0,0,0,0|1,0,1]=3 240 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,1,0,0,0,0|1,0,2]=4 241 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,1,0,0,0,0|1,0,0]=2 242 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,1,0,0,0,0|1,0,0]=2 243 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,1,0,0,0,0|1,0,0]=2 244 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,1,0,0,0,0|1,0,0]=2 245 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,1,0,0,0,0|1,0,0]=2 246 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,1,0,0,0,0|1,0,0]=2 247 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,1,0,0,0,0|1,0,0]=2 248 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,1,0,0,0,0|1,0,0]=2 249 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,1,0,0,0,0|0,0,1]=2 250 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,1,0,0,0,0|1,0,2]=4 251 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,1,0,0,0,0|1,0,2]=4 252 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,1,0,0,0,0|1,0,2]=4 253 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,1,0,0,0,0|1,0,2]=4 254 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,1,0,0,0,0|1,0,2]=4 255 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,1,0,0,0,0|1,0,2]=4 256 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,1,0,0,0,0|1,0,2]=4 257 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,1,0,0,0,0|1,0,2]=4 258 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,1,0,0,0,0|2,0,0]=3 259 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,1,0,0,0,0|2,0,0]=3 260 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,1,0,0,0,0|1,0,0]=2 261 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,1,0,0,0,0|3,0,0]=4 262 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,1,0,0,0,0|1,0,0]=2 263 B9R0.7 [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-6350748495 [0,1,0,0,0,0|1,0,2]=4 264 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,1,0,0,0,0|1,0,1]=3 265 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,1,0,0,0,0|1,0,1]=3 266 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,1,0,0,0,0|3,0,0]=4 267 B9R0.53 CC(CC(=O)N)CC(=O)N MCULE-8411499627 [0,1,0,0,0,0|3,0,0]=4 268 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,1,0,0,0,0|1,0,0]=2 269 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,1,0,0,0,0|3,0,0]=4 270 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,1,0,0,0,0|0,0,0]=1 271 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,1,0,0,0,0|0,0,0]=1 272 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,1,0,0,0,0|1,0,0]=2 273 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,1,0,0,0,0|1,0,0]=2 274 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,1,0,0,0,0|0,0,0]=1 275 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [0,1,0,0,0,0|1,0,1]=3 276 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,1,0,0,0,0|1,0,0]=2 277 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,1,0,0,0,0|1,0,0]=2 278 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,1,0,0,0,0|1,0,0]=2 279 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-1268208354 [0,1,0,0,0,0|2,0,1]=4 280 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-5430860345 [0,1,0,0,0,0|2,0,1]=4 281 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [0,1,0,0,0,0|2,0,1]=4 282 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [0,1,0,0,0,0|2,0,1]=4 283 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [0,1,0,0,0,0|2,0,0]=3 284 B9R0.56 O=C(O)CNCC(F)(F)F MCULE-4901432382 [0,1,0,0,0,0|2,0,1]=4 285 B9R0.56 O=C(O)CNCC(F)(F)F MCULE-8079486959 [0,1,0,0,0,0|2,0,1]=4 286 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [0,1,0,0,0,0|1,0,0]=2 287 B9R0.56 O=C([O-])CNCP(=O)(O)O MCULE-8648426476 [0,1,0,0,0,0|1,0,1]=3 288 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,0,0|2,0,0]=3 289 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,1,0,0|1,0,0]=2 290 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,0,0,1,0,0|3,0,0]=4 291 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,0,0,1,0,0|2,0,0]=3 292 B9R1.35 CC1=CC(SC1)C(=O)O MCULE-1599288333 [0,0,0,1,0,0|3,0,0]=4 293 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,1,0,0|3,0,0]=4 294 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,1,0,0|3,0,0]=4 295 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,0,0,1,0,0|2,0,1]=4 296 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,0,0,1,0,0|2,0,1]=4 297 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,0,0,1,0,0|2,0,1]=4 298 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,0,0,1,0,0|2,0,1]=4 299 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,0,0,1,0,0|2,0,1]=4 300 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,0,0,1,0,0|2,0,1]=4 301 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,0,0,1,0,0|2,0,1]=4 302 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,0,0,1,0,0|2,0,1]=4 303 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,0,0,1,0,0|2,0,1]=4 304 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,0,0,1,0,0|2,0,1]=4 305 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,0,0,1,0,0|2,0,1]=4 306 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,0,0,1,0,0|2,0,1]=4 307 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,0,0,1,0,0|2,0,1]=4 308 B9R1.35 NC(=O)C1CC(CN1)O MCULE-8628888959 [0,0,0,1,0,0|2,0,1]=4 309 B9R1.35 NC(=O)C1CC(CN1)O MCULE-9327040437 [0,0,0,1,0,0|2,0,1]=4 310 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [0,0,0,1,0,0|3,0,0]=4 311 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [0,0,0,1,0,0|3,0,0]=4 312 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [0,0,0,1,0,0|3,0,0]=4 313 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-1506534259 [0,0,0,1,0,0|2,0,1]=4 314 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-4335155413 [0,0,0,1,0,0|2,0,1]=4 315 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-1442980635 [0,0,0,1,0,0|2,0,1]=4 316 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-4854132547 [0,0,0,1,0,0|2,0,1]=4 317 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-8175631848 [0,0,0,1,0,0|2,0,1]=4 318 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-9092665787 [0,0,0,1,0,0|2,0,1]=4 319 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-1212665796 [0,0,0,1,0,0|2,0,1]=4 320 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2172080185 [0,0,0,1,0,0|2,0,1]=4 321 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2463066874 [0,0,0,1,0,0|2,0,1]=4 322 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-7245012102 [0,0,0,1,0,0|2,0,1]=4 323 B9R1.35 NC1=NNC(N1)C(=O)O MCULE-8622860614 [0,0,0,1,0,0|3,0,0]=4 324 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,0,0,1,0,0|2,0,1]=4 325 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,0,0,1,0,0|2,0,1]=4 326 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,0,0,1,0,0|2,0,1]=4 327 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,0,0,1,0,0|2,0,1]=4 328 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,0,0,1,0,0|2,0,1]=4 329 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,0,0,1,0,0|2,0,1]=4 330 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,0,0,1,0,0|2,0,1]=4 331 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,0,0,1,0,0|2,0,1]=4 332 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,0,0,1,0,0|2,0,1]=4 333 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,0,0,1,0,0|2,0,1]=4 334 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,0,0,1,0,0|2,0,1]=4 335 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,0,0,1,0,0|2,0,1]=4 336 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,0,0,1,0,0|2,0,1]=4 337 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,0,0,1,0,0|2,0,1]=4 338 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,0,0,1,0,0|2,0,1]=4 339 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,0,0,1,0,0|2,0,1]=4 340 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,0,0,1,0,0|2,0,1]=4 341 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,0,0,1,0,0|2,0,1]=4 342 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,0,0,1,0,0|2,0,1]=4 343 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,0,0,1,0,0|2,0,1]=4 344 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,0,0,1,0,0|2,0,1]=4 345 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,0,0,1,0,0|2,0,1]=4 346 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,0,0,1,0,0|1,0,1]=3 347 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,0,0,1,0,0|1,0,1]=3 348 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,0,0,1,0,0|1,1,1]=4 349 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,0,0,1,0,0|1,1,1]=4 350 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,1,0,0|2,0,1]=4 351 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [0,0,0,1,0,0|1,0,2]=4 352 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,0,0,1,0,0|1,0,1]=3 353 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,0,0,1,0,0|1,1,1]=4 354 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,0,0,1,0,0|1,1,1]=4 355 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,1,0,0|2,0,1]=4 356 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,1,0,0|2,0,1]=4 357 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,1,0,0|2,0,1]=4 358 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,0,0,1,0,0|2,0,1]=4 359 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,0,0,1,0,0|2,0,1]=4 360 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,0,0,1,0,0|2,0,1]=4 361 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,0,0,1,0,0|2,0,1]=4 362 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,0,0,1,0,0|2,0,1]=4 363 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,0,0,1,0,0|2,0,1]=4 364 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,0,0,1,0,0|1,0,1]=3 365 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,0,0,1,0,0|1,0,1]=3 366 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,0,0,1,0,0|1,0,1]=3 367 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,0,0,1,0,0|1,0,1]=3 368 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,0,0,1,0,0|1,0,1]=3 369 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,0,0,1,0,0|1,1,1]=4 370 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,0,0,1,0,0|1,1,1]=4 371 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,0,0,1,0,0|1,1,1]=4 372 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,0,0,1,0,0|1,1,1]=4 373 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,0,0,1,0,0|2,0,1]=4 374 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,0,0,1,0,0|2,0,1]=4 375 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,0,0,1,0,0|2,0,1]=4 376 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,0,0,1,0,0|2,0,1]=4 377 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,0,0,1,0,0|1,0,1]=3 378 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,0,0,1,0,0|1,0,1]=3 379 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,0,0,1,0,0|1,0,1]=3 380 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,0,0,1,0,0|1,0,1]=3 381 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,0,0,1,0,0|1,1,1]=4 382 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,0,0,1,0,0|1,1,1]=4 383 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,0,0,1,0,0|1,1,1]=4 384 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,0,0,1,0,0|1,1,1]=4 385 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,0,0,1,0,0|1,1,1]=4 386 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,0,0,1,0,0|1,1,1]=4 387 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,1,0,0|2,0,1]=4 388 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,1,0,0|2,0,1]=4 389 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,1,0,0|2,0,1]=4 390 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,0,0,1,0,0|2,0,1]=4 391 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,0,0,1,0,0|2,0,1]=4 392 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,0,0,1,0,0|2,0,1]=4 393 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,0,0,1,0,0|1,0,1]=3 394 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,0,0,1,0,0|1,0,1]=3 395 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,0,0,1,0,0|1,0,1]=3 396 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,0,0,1,0,0|1,0,1]=3 397 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,0,0,1,0,0|1,0,1]=3 398 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,0,0,1,0,0|2,0,1]=4 399 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,0,0,1,0,0|2,0,1]=4 400 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,0,0,1,0,0|2,0,1]=4 401 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,0,0,1,0,0|2,0,1]=4 402 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,0,0,1,0,0|1,0,1]=3 403 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,0,0,1,0,0|1,0,1]=3 404 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,0,0,1,0,0|1,0,1]=3 405 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,0,0,1,0,0|1,0,1]=3 406 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,0,0,1,0,0|2,0,1]=4 407 B9R1.35 O=C1C=C(NN1)C(=O)O MCULE-2820101826 [0,0,0,1,0,0|2,0,1]=4 408 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,0,0,1,0,0|3,0,0]=4 409 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,1,0,0|3,0,0]=4 410 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,0,0,1,0,0|3,0,0]=4 411 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [0,0,0,1,0,0|2,0,0]=3 412 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,0,0|2,0,0]=3 413 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [0,0,0,1,0,0|3,0,0]=4 414 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,1,0,0|2,0,0]=3 415 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,1,0,0|2,0,0]=3 416 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [0,0,0,1,0,0|2,0,1]=4 417 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,1,0,0|1,0,0]=2 418 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,1,0,0|1,1,0]=3 419 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,0,0|2,0,0]=3 420 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,0,0|2,0,0]=3 421 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,1,0,0|2,0,0]=3 422 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,1,0,0|2,0,0]=3 423 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [0,0,0,1,0,0|2,0,0]=3 424 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,1,0,0|1,0,0]=2 425 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,1,0,0|1,0,0]=2 426 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,0,0|2,0,0]=3 427 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,0,0|2,0,0]=3 428 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,1,0,0|2,0,0]=3 429 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,1,0,0|2,0,0]=3 430 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,1,0,0|2,0,0]=3 431 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [0,0,0,1,0,0|2,0,1]=4 432 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [0,0,0,1,0,0|2,0,1]=4 433 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [0,0,0,1,0,0|2,0,0]=3 434 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,1,0,0|1,0,0]=2 435 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,1,0,0|1,0,0]=2 436 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,1,0,0|1,1,0]=3 437 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,0,0,1,0,0|1,0,0]=2 438 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,0,0,1,0,0|1,0,0]=2 439 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,0,0,1,0,0|1,0,0]=2 440 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,0,0,1,0,0|1,0,0]=2 441 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,0,0,1,0,0|1,0,0]=2 442 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,0,0,1,0,0|1,0,0]=2 443 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,0,0,1,0,0|1,0,0]=2 444 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,0,0,1,0,0|1,0,0]=2 445 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,0,0,1,0,0|2,0,0]=3 446 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,0,0,1,0,0|2,0,0]=3 447 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,0,0,1,0,0|3,0,0]=4 448 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,0,0,1,0,0|3,0,0]=4 449 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,0,0,1,0,0|3,0,0]=4 450 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,0,0,1,0,0|3,0,0]=4 451 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,1,0,0|3,0,0]=4 452 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,0,0,1,0,0|3,0,0]=4 453 B9R1.35 O=C1NC=C(O1)C(=O)O MCULE-1855563319 [0,0,0,1,0,0|2,0,1]=4 454 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,0,0,1,0,0|3,0,0]=4 455 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,0,0,1,0,0|2,0,0]=3 456 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,0,0,1,0,0|3,0,0]=4 457 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,0,0,1,0,0|3,0,0]=4 458 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,0,0,1,0,0|3,0,0]=4 459 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,0,0,1,0,0|3,0,0]=4 460 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,0,0,1,0,0|2,0,0]=3 461 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,0,0,1,0,0|2,0,0]=3 462 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,1,0,0|3,0,0]=4 463 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,1,0,0|3,0,0]=4 464 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,0,0,1,0,0|3,0,0]=4 465 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,0,0,1,0,0|3,0,0]=4 466 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,1,0,0|3,0,0]=4 467 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,1,0,0|3,0,0]=4 468 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,0,0,1,0,0|3,0,0]=4 469 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,1,0,0|2,0,0]=3 470 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,0,0,1,0,0|1,0,1]=3 471 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,0,0,1,0,0|2,0,1]=4 472 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,0,0,1,0,0|2,0,1]=4 473 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,0,0,1,0,0|1,1,1]=4 474 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,0,0,1,0,0|2,0,1]=4 475 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,0,0,1,0,0|2,0,1]=4 476 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,0,0,1,0,0|1,0,1]=3 477 B9R1.49 O=C1CCC(=O)COC1 MCULE-3449745230 [0,0,0,1,0,0|3,0,0]=4 478 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [0,0,0,1,0,0|3,0,0]=4 479 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [0,0,0,1,0,0|2,0,0]=3 480 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,0,0,1,0,0|2,0,0]=3 481 B9R1.85 O=C(O)CNCC1CC1 MCULE-2914571109 [0,0,0,1,0,0|2,0,1]=4 482 B9R1.85 O=C(O)CNCC1CC1 MCULE-8479764724 [0,0,0,1,0,0|2,0,1]=4 483 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,0,0,1,0,0|2,0,0]=3 484 B9R1.161 O=C(Cl)C1OC1C(=O)Cl MCULE-9383694320 [0,0,0,1,0,0|3,0,0]=4 485 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,0,0,1,0,0|1,0,0]=2 486 B9R1.161 O=C(O)C1CC1N(=O)=O MCULE-4711426088 [0,0,0,1,0,0|2,0,1]=4 487 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,0,0,1,0,0|1,0,0]=2 488 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,0,0,1,0,0|1,0,0]=2 489 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,0,0,1,0,0|1,0,0]=2 490 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,0,0,1,0,0|1,0,0]=2 491 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,0,0,1,0,0|1,0,0]=2 492 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,0,0,1,0,0|1,0,0]=2 493 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,0,0,1,0,0|1,0,0]=2 494 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,0,0,1,0,0|1,0,0]=2 495 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] MCULE-1350888359 [0,0,0,1,0,0|2,0,1]=4 496 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,0,0,1,0,0|1,0,0]=2 497 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,0,0,1,0,0|1,0,0]=2 498 B9R1.161 O=C([O-])[C@H]1O[C@H]1C(=O)[O-] MCULE-9392079342 [0,0,0,1,0,0|1,0,2]=4 499 B9R1.166 C1(NCC1(C)C)C(=O)O MCULE-8091738282 [0,0,0,1,0,0|2,0,1]=4 500 B9R1.166 CC1(CNC1C(=O)O)C MCULE-8386082188 [0,0,0,1,0,0|2,0,1]=4 501 B9R1.166 CC1(CNC1C(=O)O)C MCULE-9067770862 [0,0,0,1,0,0|2,0,1]=4 502 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-3707363843 [0,0,0,1,0,0|2,0,1]=4 503 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-5671349948 [0,0,0,1,0,0|2,0,1]=4 504 B9R1.166 CC1(CN[C@H]1C(=O)O)C MCULE-3480839319 [0,0,0,1,0,0|2,0,1]=4 505 B9R1.166 O=C(O)C1CCS1(=O)=O MCULE-9812910264 [0,0,0,1,0,0|2,0,1]=4 506 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,1,0|2,0,0]=3 507 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [0,0,0,0,1,0|3,0,0]=4 508 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,1,0|3,0,0]=4 509 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,0,0,0,1,0|3,0,0]=4 510 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,1,0|2,0,0]=3 511 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,1,0|2,0,0]=3 512 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,1,0|2,0,0]=3 513 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,1,0|2,0,1]=4 514 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,1,0|1,0,2]=4 515 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,1,0|1,0,2]=4 516 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,1,0|2,0,0]=3 517 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,1,0|2,0,0]=3 518 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,1,0|1,0,0]=2 519 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,1,0|1,0,1]=3 520 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [0,0,0,0,1,0|2,0,1]=4 521 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,1,0|2,0,0]=3 522 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,1,0|2,0,0]=3 523 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,1,0|3,0,0]=4 524 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,1,0|2,0,0]=3 525 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,1,0|2,0,0]=3 526 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,1,0|1,0,0]=2 527 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,0,0,0,1,0|2,0,1]=4 528 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [0,0,0,0,1,0|3,0,0]=4 529 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,1,0|3,0,0]=4 530 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,1,0|2,0,0]=3 531 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,1,0|2,0,0]=3 532 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,1,0|1,1,0]=3 533 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,0,0,0,1,0|2,0,1]=4 534 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,0,0,0,1,0|2,0,1]=4 535 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,0,0,0,1,0|2,0,1]=4 536 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,1,0|2,0,1]=4 537 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,1,0|2,0,1]=4 538 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,1,0|1,0,1]=3 539 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,0,0,0,1,0|1,0,2]=4 540 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,0,0,0,1,0|1,1,1]=4 541 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,0,0,0,1,0|3,0,0]=4 542 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,0,0,0,1,0|3,0,0]=4 543 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,1,0|2,0,0]=3 544 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,1,0|2,0,1]=4 545 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,1,0|2,0,1]=4 546 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,1,0|2,0,1]=4 547 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,1,0|2,0,1]=4 548 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,1,0|2,0,1]=4 549 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,1,0|2,0,1]=4 550 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,1,0|2,0,1]=4 551 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,0,0,0,1,0|3,0,0]=4 552 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,0,0,0,1,0|3,0,0]=4 553 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,1,0|2,0,0]=3 554 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,1,0|2,0,0]=3 555 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,1,0|3,0,0]=4 556 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,1,0|3,0,0]=4 557 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,0,0,0,1,0|1,0,2]=4 558 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,0,0,0,1,0|1,0,2]=4 559 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,0,0,0,1,0|1,0,2]=4 560 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,1,0|2,0,0]=3 561 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,1,0|1,0,0]=2 562 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [0,0,0,0,1,0|2,1,0]=4 563 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,1,0|1,0,0]=2 564 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [0,0,0,0,1,0|3,0,0]=4 565 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,1,0|2,0,0]=3 566 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,1,0|1,1,0]=3 567 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,0,0,0,1,0|2,0,0]=3 568 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,1,0|0,0,2]=3 569 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,1,0|0,0,2]=3 570 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,1,0|0,0,2]=3 571 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,1,0|0,0,2]=3 572 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,1,0|0,0,2]=3 573 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,1,0|0,0,2]=3 574 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,1,0|0,0,2]=3 575 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,1,0|0,0,2]=3 576 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,1,0|0,0,2]=3 577 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,1,0|1,0,1]=3 578 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,1,0|0,0,0]=1 579 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,1,0|0,0,0]=1 580 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,0,0,0,1,0|2,0,1]=4 581 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,1,0|1,0,1]=3 582 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,1,0|1,0,1]=3 583 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [0,0,0,0,1,0|0,0,3]=4 584 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,1,0|0,0,1]=2 585 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,0,0,0,1,0|0,0,2]=3 586 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [0,0,0,0,0,1|3,0,0]=4 587 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,0,0,0,0,1|3,0,0]=4 588 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [0,0,0,0,0,1|3,0,0]=4 589 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [0,0,0,0,0,1|3,0,0]=4 590 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [0,0,0,0,0,1|3,0,0]=4 591 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,0,0,0,0,1|2,0,0]=3 592 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [0,0,0,0,0,1|3,0,0]=4 593 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [0,0,0,0,0,1|2,0,0]=3 594 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [0,0,0,0,0,1|2,0,0]=3 595 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [0,0,0,0,0,1|2,0,0]=3 596 B9R0.55 CC(C)CNCCC(=O)O MCULE-7021054047 [0,0,0,0,0,1|2,0,1]=4 597 B9R0.55 CC(C)CNCCC(=O)O MCULE-7640501484 [0,0,0,0,0,1|2,0,1]=4 598 B9R0.55 CN(C)CCNCC(=O)O MCULE-6551648059 [0,0,0,0,0,1|3,0,0]=4 599 B9R0.55 CN(C)CCNCC(=O)O MCULE-7040720736 [0,0,0,0,0,1|3,0,0]=4 600 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [0,0,0,0,0,1|3,0,0]=4 601 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [0,0,0,0,0,1|3,0,0]=4 602 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [0,0,0,0,0,1|2,0,0]=3 603 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [0,0,0,0,0,1|2,0,0]=3 604 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [0,0,0,0,0,1|2,0,0]=3 605 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [0,0,0,0,0,1|2,0,0]=3 606 B9R0.55 O=C(Cl)CCCCC(=O)Cl MCULE-9846069486 [0,0,0,0,0,1|3,0,0]=4 607 B9R0.55 O=C(O)/C=C/C=C/C(=O)O MCULE-6385818003 [0,0,0,0,0,1|1,0,2]=4 608 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [0,0,0,0,0,1|1,0,1]=3 609 B9R0.55 O=C(O)/C=C\C=C/C(=O)O MCULE-3782370049 [0,0,0,0,0,1|1,0,2]=4 610 B9R0.55 O=C(O)/C=C\C=C\C(=O)O MCULE-1285367069 [0,0,0,0,0,1|1,0,2]=4 611 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [0,0,0,0,0,1|1,0,0]=2 612 B9R0.55 O=C(O)C=CC=CC(=O)O MCULE-7565238801 [0,0,0,0,0,1|1,0,2]=4 613 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [0,0,0,0,0,1|1,0,1]=3 614 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [0,0,0,0,0,1|1,0,0]=2 615 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [0,0,0,0,0,1|1,0,0]=2 616 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [0,0,0,0,0,1|1,0,0]=2 617 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [0,0,0,0,0,1|1,0,0]=2 618 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [0,0,0,0,0,1|1,0,0]=2 619 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [0,0,0,0,0,1|1,0,0]=2 620 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [0,0,0,0,0,1|0,0,0]=1 621 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [0,0,0,0,0,1|1,0,0]=2 622 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [0,0,0,0,0,1|1,0,0]=2 623 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [0,0,0,0,0,1|1,0,1]=3 624 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [0,0,0,0,0,1|1,0,1]=3 625 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [0,0,0,0,0,1|1,0,1]=3 626 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [0,0,0,0,0,1|1,0,2]=4 627 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [0,0,0,0,0,1|1,0,2]=4 628 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [2,0,0,0,0,0|1,0,1]=4 629 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [2,0,0,0,0,0|1,0,1]=4 630 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [2,0,0,0,0,0|1,0,1]=4 631 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [2,0,0,0,0,0|2,0,0]=4 632 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [2,0,0,0,0,0|2,0,0]=4 633 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [2,0,0,0,0,0|2,0,0]=4 634 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [2,0,0,0,0,0|1,0,0]=3 635 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [2,0,0,0,0,0|2,0,0]=4 636 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [2,0,0,0,0,0|2,0,0]=4 637 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [2,0,0,0,0,0|0,0,1]=3 638 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [2,0,0,0,0,0|1,0,0]=3 639 B6R0.4 CC(=O)CCCO MCULE-1335342150 [2,0,0,0,0,0|1,0,1]=4 640 B6R0.4 CC(=O)NCCO MCULE-5968518415 [2,0,0,0,0,0|1,0,1]=4 641 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [2,0,0,0,0,0|1,0,1]=4 642 B6R0.4 CCCCC(=O)O MCULE-2333640078 [2,0,0,0,0,0|1,0,1]=4 643 B6R0.4 CCNCC(=O)C MCULE-5799315547 [2,0,0,0,0,0|1,0,1]=4 644 B6R0.4 CCNCC(=O)C MCULE-9258294157 [2,0,0,0,0,0|1,0,1]=4 645 B6R0.4 CCNCC(=O)N MCULE-1787248899 [2,0,0,0,0,0|1,0,1]=4 646 B6R0.4 CCNCC(=O)N MCULE-3821700273 [2,0,0,0,0,0|1,0,1]=4 647 B6R0.4 CCNCC(=O)O MCULE-5989480216 [2,0,0,0,0,0|0,0,1]=3 648 B6R0.4 CCNCC(=O)O MCULE-8087863397 [2,0,0,0,0,0|0,0,1]=3 649 B6R0.4 CCOCC(=O)O MCULE-1726530898 [2,0,0,0,0,0|1,0,1]=4 650 B6R0.4 CCSCC(=O)O MCULE-7471335718 [2,0,0,0,0,0|1,0,1]=4 651 B6R0.4 CNCCC(=O)O MCULE-3627988097 [2,0,0,0,0,0|2,0,0]=4 652 B6R0.4 CNCCC(=O)O MCULE-9858204248 [2,0,0,0,0,0|2,0,0]=4 653 B6R0.4 COCCC(=O)O MCULE-3436347115 [2,0,0,0,0,0|2,0,0]=4 654 B6R0.4 CSCCC(=O)O MCULE-9550032941 [2,0,0,0,0,0|2,0,0]=4 655 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [2,0,0,0,0,0|1,0,1]=4 656 B6R0.4 NC(=O)CCCO MCULE-3779341561 [2,0,0,0,0,0|1,0,1]=4 657 B6R0.4 NC(=O)NCCO MCULE-2353513655 [2,0,0,0,0,0|1,0,1]=4 658 B6R0.4 NCCCC(=O)O MCULE-3615304273 [2,0,0,0,0,0|1,0,1]=4 659 B6R0.4 NCCCC(=O)O MCULE-7613134021 [2,0,0,0,0,0|1,0,1]=4 660 B6R0.4 NOCCC(=O)O MCULE-1529492904 [2,0,0,0,0,0|2,0,0]=4 661 B6R0.4 NOCCC(=O)O MCULE-6297331357 [2,0,0,0,0,0|2,0,0]=4 662 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [2,0,0,0,0,0|1,0,1]=4 663 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [2,0,0,0,0,0|1,0,1]=4 664 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [2,0,0,0,0,0|1,0,1]=4 665 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [2,0,0,0,0,0|1,0,1]=4 666 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [2,0,0,0,0,0|1,0,1]=4 667 B6R0.4 O=C(O)CCCF MCULE-2415675768 [2,0,0,0,0,0|1,0,1]=4 668 B6R0.4 O=C(O)CCCI MCULE-7794841553 [2,0,0,0,0,0|1,0,1]=4 669 B6R0.4 O=C(O)CCCS MCULE-3352840152 [2,0,0,0,0,0|0,1,1]=4 670 B6R0.4 O=C(O)CNCO MCULE-4092998319 [2,0,0,0,0,0|0,0,0]=2 671 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [2,0,0,0,0,0|0,0,1]=3 672 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [2,0,0,0,0,0|0,0,0]=2 673 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [2,0,0,0,0,0|1,0,1]=4 674 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [2,0,0,0,0,0|0,0,0]=2 675 B6R0.6 C=CCCCC=O MCULE-8676840281 [2,0,0,0,0,0|2,0,0]=4 676 B6R0.6 C=CCNCC=C MCULE-1595235262 [2,0,0,0,0,0|2,0,0]=4 677 B6R0.6 C=CCNCC=C MCULE-3284076720 [2,0,0,0,0,0|2,0,0]=4 678 B6R0.6 C=CCNCCO MCULE-5860509324 [2,0,0,0,0,0|1,0,1]=4 679 B6R0.6 C=CCOCC=O MCULE-8507800253 [2,0,0,0,0,0|2,0,0]=4 680 B6R0.6 O=CCCCC=O MCULE-6802048757 [2,0,0,0,0,0|1,0,0]=3 681 B6R0.6 O=CCCCCO MCULE-7959082228 [2,0,0,0,0,0|1,0,1]=4 682 B6R0.6 O=NCNCCO MCULE-4478167391 [2,0,0,0,0,0|1,0,1]=4 683 B6R0.6 OCCNCCO MCULE-9183096746 [2,0,0,0,0,0|0,0,2]=4 684 B6R0.6 OCCNCCO MCULE-9803420258 [2,0,0,0,0,0|0,0,2]=4 685 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [1,1,0,0,0,0|2,0,0]=4 686 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [1,1,0,0,0,0|2,0,0]=4 687 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [1,1,0,0,0,0|2,0,0]=4 688 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [1,1,0,0,0,0|2,0,0]=4 689 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [1,1,0,0,0,0|2,0,0]=4 690 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [1,1,0,0,0,0|2,0,0]=4 691 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [1,1,0,0,0,0|2,0,0]=4 692 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [1,1,0,0,0,0|2,0,0]=4 693 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [1,1,0,0,0,0|2,0,0]=4 694 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [1,1,0,0,0,0|2,0,0]=4 695 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [1,1,0,0,0,0|2,0,0]=4 696 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [1,1,0,0,0,0|2,0,0]=4 697 B8R0.5 CC(=O)CN(C)CCO MCULE-4972701308 [1,1,0,0,0,0|1,0,1]=4 698 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [1,1,0,0,0,0|1,0,1]=4 699 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [1,1,0,0,0,0|1,0,1]=4 700 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [1,1,0,0,0,0|0,0,1]=3 701 B8R0.6 C=CCCCC(=O)OC MCULE-4913183131 [1,1,0,0,0,0|2,0,0]=4 702 B8R0.6 C=CCOCC(=O)OC MCULE-7670885186 [1,1,0,0,0,0|2,0,0]=4 703 B8R0.6 C=CCSCC(=O)OC MCULE-3363963029 [1,1,0,0,0,0|2,0,0]=4 704 B8R0.6 CCCNCC(=O)OC MCULE-3321545319 [1,1,0,0,0,0|1,0,1]=4 705 B8R0.6 CCCNCC(=O)OC MCULE-5989619684 [1,1,0,0,0,0|1,0,1]=4 706 B8R0.6 COC(=O)CCCC=O MCULE-2183669341 [1,1,0,0,0,0|1,0,0]=3 707 B8R0.6 COC(=O)CCCCO MCULE-2443996181 [1,1,0,0,0,0|1,0,1]=4 708 B8R0.6 COC(=O)CCNC=O MCULE-2214149264 [1,1,0,0,0,0|2,0,0]=4 709 B8R0.6 COC(=O)CNCC#N MCULE-4088324466 [1,1,0,0,0,0|1,0,1]=4 710 B8R0.6 COC(=O)COCCO MCULE-7869619911 [1,1,0,0,0,0|1,0,1]=4 711 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [1,1,0,0,0,0|2,0,0]=4 712 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [1,1,0,0,0,0|1,0,0]=3 713 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [1,1,0,0,0,0|2,0,0]=4 714 B8R0.7 C=CCNCCC(=O)N MCULE-4087711448 [1,1,0,0,0,0|2,0,0]=4 715 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [1,1,0,0,0,0|2,0,0]=4 716 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [1,1,0,0,0,0|2,0,0]=4 717 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [1,1,0,0,0,0|2,0,0]=4 718 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [1,1,0,0,0,0|1,0,1]=4 719 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [1,1,0,0,0,0|1,0,1]=4 720 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [1,1,0,0,0,0|1,0,1]=4 721 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [1,1,0,0,0,0|1,0,1]=4 722 B8R0.7 COCCNCC(=O)N MCULE-2300508230 [1,1,0,0,0,0|1,0,1]=4 723 B8R0.7 COCCNCC(=O)N MCULE-7059174365 [1,1,0,0,0,0|1,0,1]=4 724 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [1,1,0,0,0,0|0,0,1]=3 725 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [1,1,0,0,0,0|0,0,1]=3 726 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [1,1,0,0,0,0|1,0,1]=4 727 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [1,1,0,0,0,0|1,0,1]=4 728 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [1,1,0,0,0,0|0,1,1]=4 729 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [1,1,0,0,0,0|0,1,1]=4 730 B8R0.7 N#CCCNCC(=O)O MCULE-9226456604 [1,1,0,0,0,0|1,0,1]=4 731 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [1,1,0,0,0,0|1,0,1]=4 732 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [1,1,0,0,0,0|1,0,1]=4 733 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [1,1,0,0,0,0|1,0,1]=4 734 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [1,1,0,0,0,0|1,0,1]=4 735 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [1,1,0,0,0,0|1,0,1]=4 736 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [1,1,0,0,0,0|1,0,1]=4 737 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [1,1,0,0,0,0|0,0,1]=3 738 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [1,1,0,0,0,0|1,0,1]=4 739 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [1,1,0,0,0,0|1,0,1]=4 740 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [1,1,0,0,0,0|1,0,0]=3 741 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [1,1,0,0,0,0|1,0,0]=3 742 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [1,1,0,0,0,0|2,0,0]=4 743 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [1,1,0,0,0,0|2,0,0]=4 744 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [1,1,0,0,0,0|2,0,0]=4 745 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [1,1,0,0,0,0|2,0,0]=4 746 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [1,1,0,0,0,0|2,0,0]=4 747 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [1,1,0,0,0,0|2,0,0]=4 748 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [1,1,0,0,0,0|2,0,0]=4 749 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [1,1,0,0,0,0|2,0,0]=4 750 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [1,1,0,0,0,0|2,0,0]=4 751 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [1,1,0,0,0,0|2,0,0]=4 752 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [1,1,0,0,0,0|2,0,0]=4 753 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [1,1,0,0,0,0|1,0,1]=4 754 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [1,1,0,0,0,0|1,0,1]=4 755 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [1,1,0,0,0,0|1,0,1]=4 756 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [1,1,0,0,0,0|1,0,1]=4 757 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [1,1,0,0,0,0|1,0,1]=4 758 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [1,1,0,0,0,0|2,0,0]=4 759 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [1,1,0,0,0,0|1,0,1]=4 760 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [1,1,0,0,0,0|2,0,0]=4 761 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [1,1,0,0,0,0|2,0,0]=4 762 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [1,1,0,0,0,0|2,0,0]=4 763 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [1,1,0,0,0,0|2,0,0]=4 764 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [1,1,0,0,0,0|2,0,0]=4 765 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [1,1,0,0,0,0|1,0,1]=4 766 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [1,1,0,0,0,0|1,0,1]=4 767 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [1,1,0,0,0,0|1,0,1]=4 768 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [1,1,0,0,0,0|1,0,1]=4 769 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,1,0,0,1,0|0,0,2]=4 770 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,1,0,0,1,0|2,0,0]=4 771 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,1,0,0,1,0|0,0,2]=4 772 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,1,0,0,1,0|0,0,2]=4 773 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,1,0,0,1,0|2,0,0]=4 774 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,1,0,0,1,0|2,0,0]=4 775 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,1,0,0,1,0|2,0,0]=4 776 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,1,0,0,1,0|2,0,0]=4 777 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,1,0,0,1,0|2,0,0]=4 778 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,1,0|2,0,0]=4 779 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,1,0|2,0,0]=4 780 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,1,0|2,0,0]=4 781 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,1,0|2,0,0]=4 782 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,1,0|2,0,0]=4 783 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,1,0|2,0,0]=4 784 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,1,0|2,0,0]=4 785 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,1,0|2,0,0]=4 786 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,1,0,0,1,0|0,0,1]=3 787 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,1,0,0,1,0|2,0,0]=4 788 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,1,0,0,1,0|2,0,0]=4 789 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,1,0,0,1,0|1,0,1]=4 790 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,1,0,0,1,0|0,0,2]=4 791 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,1,0|1,0,0]=3 792 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,1,0|1,0,0]=3 793 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,1,0|1,0,0]=3 794 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,1,0|1,0,0]=3 795 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,1,0|1,0,0]=3 796 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,1,0,0,1,0|2,0,0]=4 797 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,1,0|1,0,0]=3 798 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,1,0|1,0,0]=3 799 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [0,1,0,0,1,0|2,0,0]=4 800 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,1,0|1,0,0]=3 801 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,1,0|1,0,0]=3 802 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [0,1,0,0,1,0|2,0,0]=4 803 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [0,1,0,0,1,0|2,0,0]=4 804 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [0,1,0,0,1,0|2,0,0]=4 805 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [0,1,0,0,1,0|2,0,0]=4 806 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,1,0|1,0,0]=3 807 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,1,0|1,0,0]=3 808 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,1,0|1,0,0]=3 809 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,1,0|1,0,0]=3 810 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,1,0|2,0,0]=4 811 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,1,0|2,0,0]=4 812 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,1,0|2,0,0]=4 813 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,1,0|2,0,0]=4 814 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,1,0|2,0,0]=4 815 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,1,0|2,0,0]=4 816 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,1,0,0,1,0|2,0,0]=4 817 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,1,0|1,0,0]=3 818 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,1,0|0,0,0]=2 819 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,1,0|0,0,0]=2 820 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,1,0,0,1,0|2,0,0]=4 821 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [0,1,0,0,1,0|2,0,0]=4 822 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,1,0,0,1,0|1,0,0]=3 823 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,1,0|1,0,1]=4 824 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,1,0|1,0,1]=4 825 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,1,0,0,1,0|2,0,0]=4 826 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,1,0,0,1,0|2,0,0]=4 827 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,1,0,0,1,0|2,0,0]=4 828 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,1,0|1,0,0]=3 829 B8R0.23 CN(CC(=O)O)C(=S)S MCULE-1910105668 [0,1,0,0,1,0|0,2,0]=4 830 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,1,0,0,1,0|2,0,0]=4 831 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,1,0,0,1,0|2,0,0]=4 832 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,1,0,0,1,0|2,0,0]=4 833 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,1,0|0,0,0]=2 834 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,1,0|0,0,0]=2 835 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,1,0|1,0,1]=4 836 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,1,0|1,0,1]=4 837 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,1,0|1,0,1]=4 838 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,1,0|1,0,1]=4 839 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,1,0|1,0,1]=4 840 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,1,0|1,0,1]=4 841 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,1,0|0,0,0]=2 842 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,1,0|0,0,0]=2 843 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,1,0,0,1,0|1,0,0]=3 844 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,1,0|1,0,1]=4 845 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,1,0,0,1,0|2,0,0]=4 846 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,1,0|1,0,0]=3 847 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,1,0|1,0,0]=3 848 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,1,0|1,0,0]=3 849 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,1,0|2,0,0]=4 850 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,1,0|1,0,0]=3 851 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,1,0|1,0,0]=3 852 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,1,0|2,0,0]=4 853 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,1,0|2,0,0]=4 854 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,1,0|2,0,0]=4 855 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,1,0|2,0,0]=4 856 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,1,0|1,0,0]=3 857 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,1,0|1,0,0]=3 858 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,1,0|1,0,0]=3 859 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,1,0|1,0,0]=3 860 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,1,0|1,0,0]=3 861 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,1,0|1,0,0]=3 862 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,1,0|1,0,0]=3 863 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,1,0|1,0,0]=3 864 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,1,0|1,0,0]=3 865 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,1,0|0,0,0]=2 866 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,1,0|0,0,0]=2 867 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,1,0|0,0,1]=3 868 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,1,0|0,0,1]=3 869 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,1,0|0,0,1]=3 870 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,1,0,0,1,0|0,0,2]=4 871 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,1,0,0,1,0|0,0,2]=4 872 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,1,0|0,0,0]=2 873 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,1,0|0,0,0]=2 874 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,1,0|0,0,1]=3 875 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,1,0|0,0,1]=3 876 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,1,0,0,1,0|0,0,2]=4 877 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,1,0,0,1,0|0,0,2]=4 878 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,1,0,0,1,0|0,0,2]=4 879 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,1,0,0,1,0|0,0,2]=4 880 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,1,0,0,1,0|0,0,2]=4 881 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,1,0,0,1,0|1,0,0]=3 882 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,1,0,0,1,0|1,0,0]=3 883 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,1,0|0,0,0]=2 884 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,1,0,0,1,0|0,0,2]=4 885 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,1,0,0,1,0|0,0,2]=4 886 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,1,0,0,1,0|0,0,2]=4 887 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,1,0,0,1,0|0,0,1]=3 888 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,1,0|0,0,0]=2 889 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,1,0|0,0,0]=2 890 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,1,0|0,0,0]=2 891 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,1,0|0,0,0]=2 892 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,1,0|0,0,0]=2 893 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,1,0|0,0,0]=2 894 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,1,0|0,0,0]=2 895 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,1,0|0,0,0]=2 896 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,1,0|0,0,0]=2 897 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,1,0|0,0,0]=2 898 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,1,0|0,0,0]=2 899 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,1,0|0,0,0]=2 900 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,1,0|0,0,0]=2 901 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,1,0|0,0,0]=2 902 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,1,0|0,0,0]=2 903 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,1,0|0,0,0]=2 904 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,1,0|0,0,1]=3 905 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,1,0|0,0,0]=2 906 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,1,0|1,0,0]=3 907 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,1,0|0,0,0]=2 908 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,1,0,0,1,0|2,0,0]=4 909 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,1,0,0,1,0|1,0,1]=4 910 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,1,0,0,1,0|0,0,2]=4 911 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [0,1,0,0,1,0|2,0,0]=4 912 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [0,1,0,0,1,0|2,0,0]=4 913 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,1,0,0,1,0|1,0,0]=3 914 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,1,0,0,1,0|1,0,1]=4 915 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [0,1,0,0,1,0|1,0,1]=4 916 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [0,1,0,0,1,0|1,0,1]=4 917 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,1,0,0,1,0|1,0,0]=3 918 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [0,1,0,0,1,0|1,0,0]=3 919 B10R0.15 NC(=O)CNCCS(=O)(=O)O MCULE-4191456438 [0,1,0,0,0,1|2,0,0]=4 920 B10R0.15 O=C(O)CCCCP(=O)(O)O MCULE-9230270330 [0,1,0,0,0,1|2,0,0]=4 921 B10R0.55 C=CC(=O)NCCCC(=O)O MCULE-4876378657 [0,1,0,0,0,1|2,0,0]=4 922 B10R0.55 CCC(=O)CCCCC(=O)O MCULE-8497826453 [0,1,0,0,0,1|2,0,0]=4 923 B10R0.55 CCC(=O)NCCCC(=O)O MCULE-4434353680 [0,1,0,0,0,1|2,0,0]=4 924 B10R0.55 CNC(=O)CCCCC(=O)O MCULE-3369426299 [0,1,0,0,0,1|2,0,0]=4 925 B10R0.55 COC(=O)CCCCC(=O)C MCULE-8144817566 [0,1,0,0,0,1|2,0,0]=4 926 B10R0.55 COC(=O)CCCCC(=O)Cl MCULE-8505175389 [0,1,0,0,0,1|2,0,0]=4 927 B10R0.55 COC(=O)CCCCC(=O)O MCULE-2104484744 [0,1,0,0,0,1|1,0,0]=3 928 B10R0.55 COC(=O)NCCCC(=O)O MCULE-4986877538 [0,1,0,0,0,1|1,0,0]=3 929 B10R0.55 NCC(=O)NCCCC(=O)O MCULE-6161493754 [0,1,0,0,0,1|2,0,0]=4 930 B10R0.55 O=C(O)CCCNC(=O)CCl MCULE-4514491154 [0,1,0,0,0,1|2,0,0]=4 931 B10R0.96 CC(=O)CC(=O)CCC(=O)O MCULE-6445854186 [0,1,0,0,0,1|2,0,0]=4 932 B10R0.96 CC(=O)CC(=O)NCC(=O)O MCULE-8793325864 [0,1,0,0,0,1|1,0,0]=3 933 B10R0.96 CC(CCC(=O)O)CC(=O)O MCULE-7386549049 [0,1,0,0,0,1|1,0,0]=3 934 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-1721699813 [0,1,0,0,0,1|1,0,0]=3 935 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-7525360323 [0,1,0,0,0,1|1,0,0]=3 936 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-3003314518 [0,1,0,0,0,1|2,0,0]=4 937 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-7683510788 [0,1,0,0,0,1|2,0,0]=4 938 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8316748928 [0,1,0,0,0,1|2,0,0]=4 939 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8667775229 [0,1,0,0,0,1|2,0,0]=4 940 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-2836546299 [0,1,0,0,0,1|2,0,0]=4 941 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4298371176 [0,1,0,0,0,1|2,0,0]=4 942 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4441176096 [0,1,0,0,0,1|2,0,0]=4 943 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-5599562900 [0,1,0,0,0,1|2,0,0]=4 944 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8155260586 [0,1,0,0,0,1|1,0,0]=3 945 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8574900055 [0,1,0,0,0,1|1,0,0]=3 946 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-5068946859 [0,1,0,0,0,1|1,0,0]=3 947 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8151605170 [0,1,0,0,0,1|1,0,0]=3 948 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8505675120 [0,1,0,0,0,1|1,0,0]=3 949 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-9871725008 [0,1,0,0,0,1|1,0,0]=3 950 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-3923729315 [0,1,0,0,0,1|1,0,0]=3 951 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-6851763365 [0,1,0,0,0,1|1,0,0]=3 952 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,1,0,0,0,1|2,0,0]=4 953 B10R0.98 CC(=O)N(C)CCCC(=O)O MCULE-1764265267 [0,1,0,0,0,1|2,0,0]=4 954 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,1,0,0,0,1|2,0,0]=4 955 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,1,0,0,0,1|2,0,0]=4 956 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,1,0,0,0,1|2,0,0]=4 957 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,1,0,0,0,1|2,0,0]=4 958 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,1,0,0,0,1|2,0,0]=4 959 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,1,0,0,0,1|2,0,0]=4 960 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,1,0,0,0,1|1,0,0]=3 961 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,1,0,0,0,1|1,0,0]=3 962 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,1,0,0,0,1|1,0,0]=3 963 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,1,0,0,0,1|1,0,0]=3 964 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,1,0,0,0,1|1,0,0]=3 965 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,1,0,0,0,1|1,0,0]=3 966 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,1,0,0,0,1|1,0,0]=3 967 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,1,0,0,0,1|1,0,0]=3 968 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,1,0,0,0,1|1,0,0]=3 969 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,1,0,0,0,1|1,0,0]=3 970 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,1,0,0,0,1|1,0,0]=3 971 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,1,0,0,0,1|1,0,0]=3 972 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,1,0,0,0,1|1,0,0]=3 973 B10R0.98 O=C(O)CONC(=O)C(=O)O MCULE-7932028761 [0,1,0,0,0,1|0,0,1]=3 974 B10R0.3 CCCC(=O)CCCC(=O)O MCULE-5554652459 [0,2,0,0,0,0|2,0,0]=4 975 B10R0.3 CCNC(=O)CCCC(=O)O MCULE-4769569674 [0,2,0,0,0,0|2,0,0]=4 976 B10R0.3 CCNC(=O)COCC(=O)O MCULE-7645741656 [0,2,0,0,0,0|2,0,0]=4 977 B10R0.3 CCOC(=O)CCCC(=O)C MCULE-7629371322 [0,2,0,0,0,0|2,0,0]=4 978 B10R0.3 CCOC(=O)CCCC(=O)Cl MCULE-7647030650 [0,2,0,0,0,0|2,0,0]=4 979 B10R0.3 CCOC(=O)CCCC(=O)O MCULE-2798972740 [0,2,0,0,0,0|1,0,0]=3 980 B10R0.3 CCOC(=O)CNCC(=O)N MCULE-5496236051 [0,2,0,0,0,0|1,0,0]=3 981 B10R0.3 CCOC(=O)CSCC(=O)C MCULE-7116933404 [0,2,0,0,0,0|2,0,0]=4 982 B10R0.3 CCOC(=O)NCCC(=O)O MCULE-9904189111 [0,2,0,0,0,0|2,0,0]=4 983 B10R0.3 COCC(=O)NCCC(=O)O MCULE-3760984567 [0,2,0,0,0,0|2,0,0]=4 984 B10R0.44 COC(=O)CC(=O)CC(=O)C MCULE-5860600017 [0,2,0,0,0,0|2,0,0]=4 985 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-2040975724 [0,2,0,0,0,0|1,0,0]=3 986 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-8664626816 [0,2,0,0,0,0|1,0,0]=3 987 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-3674114279 [0,2,0,0,0,0|1,0,0]=3 988 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-7834226828 [0,2,0,0,0,0|1,0,0]=3 989 B10R0.57 C(N)(CCC(=O)O)C(=O)OC MCULE-6082605624 [0,2,0,0,0,0|1,0,0]=3 990 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-3871381696 [0,2,0,0,0,0|2,0,0]=4 991 B10R0.57 COC(=O)C(N)CCC(=O)N MCULE-6424537354 [0,2,0,0,0,0|2,0,0]=4 992 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-3294558028 [0,2,0,0,0,0|1,0,0]=3 993 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-4645787805 [0,2,0,0,0,0|1,0,0]=3 994 B10R0.57 COC(=O)C(N)CCC(=O)O MCULE-8573479107 [0,2,0,0,0,0|1,0,0]=3 995 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-2647128583 [0,2,0,0,0,0|2,0,0]=4 996 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-3301910394 [0,2,0,0,0,0|2,0,0]=4 997 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-6377888321 [0,2,0,0,0,0|2,0,0]=4 998 B10R0.57 COC(=O)[C@@H](N)CCC(=O)N MCULE-8642069122 [0,2,0,0,0,0|2,0,0]=4 999 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3694424519 [0,2,0,0,0,0|1,0,0]=3 1000 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O MCULE-3908913342 [0,2,0,0,0,0|1,0,0]=3 1001 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-3332396919 [0,2,0,0,0,0|2,0,0]=4 1002 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-4801234666 [0,2,0,0,0,0|2,0,0]=4 1003 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-5791932848 [0,2,0,0,0,0|2,0,0]=4 1004 B10R0.57 COC(=O)[C@H](N)CCC(=O)N MCULE-7827323262 [0,2,0,0,0,0|2,0,0]=4 1005 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-4899971591 [0,2,0,0,0,0|1,0,0]=3 1006 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-5340713177 [0,2,0,0,0,0|1,0,0]=3 1007 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-6573369964 [0,2,0,0,0,0|1,0,0]=3 1008 B10R0.57 COC(=O)[C@H](N)CCC(=O)O MCULE-9402335659 [0,2,0,0,0,0|1,0,0]=3 1009 B10R0.57 NCC(=O)C(N)CCC(=O)O MCULE-6909697909 [0,2,0,0,0,0|2,0,0]=4 1010 B10R0.59 CCC(=O)CCCC(=O)OC MCULE-7955202588 [0,2,0,0,0,0|2,0,0]=4 1011 B10R0.59 CNC(=O)CNCC(=O)NC MCULE-5570169310 [0,2,0,0,0,0|2,0,0]=4 1012 B10R0.59 COC(=O)/C=C/CC(=O)OC MCULE-2598986335 [0,2,0,0,0,0|1,0,1]=4 1013 B10R0.59 COC(=O)C=CCC(=O)OC MCULE-6346302604 [0,2,0,0,0,0|1,0,1]=4 1014 B10R0.59 COC(=O)CCCC(=O)OC MCULE-2878617545 [0,2,0,0,0,0|1,0,0]=3 1015 B10R0.59 COC(=O)CNCC(=O)OC MCULE-3401515573 [0,2,0,0,0,0|0,0,0]=2 1016 B10R0.59 COC(=O)CNCC(=O)OC MCULE-3413946177 [0,2,0,0,0,0|0,0,0]=2 1017 B10R0.59 COC(=O)COCC(=O)OC MCULE-3118275828 [0,2,0,0,0,0|1,0,0]=3 1018 B10R0.59 COC(=O)CSCC(=O)OC MCULE-6016703912 [0,2,0,0,0,0|1,0,0]=3 1019 B10R0.60 COC(=O)CCCP(=O)(O)O MCULE-1591689771 [0,2,0,0,0,0|2,0,0]=4 1020 B10R0.60 COC(=O)CNCP(=O)(O)O MCULE-3846537792 [0,2,0,0,0,0|1,0,0]=3 1021 B10R0.65 COC(C)(C)CNCC(=O)O MCULE-5956151819 [0,2,0,0,0,0|1,0,1]=4 1022 B10R0.82 CNC(=O)CCC(N)C(=O)O MCULE-2815144960 [0,2,0,0,0,0|2,0,0]=4 1023 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-2008488408 [0,2,0,0,0,0|2,0,0]=4 1024 B10R0.82 COC(=O)CCC(N)C(=O)N MCULE-4056733947 [0,2,0,0,0,0|2,0,0]=4 1025 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1417445261 [0,2,0,0,0,0|1,0,0]=3 1026 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1495018790 [0,2,0,0,0,0|1,0,0]=3 1027 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-3233905582 [0,2,0,0,0,0|1,0,0]=3 1028 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-4870656159 [0,2,0,0,0,0|1,0,0]=3 1029 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-4563541396 [0,2,0,0,0,0|2,0,0]=4 1030 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5542631622 [0,2,0,0,0,0|2,0,0]=4 1031 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-5671338567 [0,2,0,0,0,0|2,0,0]=4 1032 B10R0.82 COC(=O)CC[C@H](N)C(=O)N MCULE-7766792787 [0,2,0,0,0,0|2,0,0]=4 1033 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-1607830290 [0,2,0,0,0,0|1,0,0]=3 1034 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7380350089 [0,2,0,0,0,0|1,0,0]=3 1035 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7654158848 [0,2,0,0,0,0|1,0,0]=3 1036 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-8680968839 [0,2,0,0,0,0|1,0,0]=3 1037 B10R0.82 NC(CCC(=O)NO)C(=O)O MCULE-9353366308 [0,2,0,0,0,0|1,0,0]=3 1038 B10R0.82 NC(CCP(=O)CO)C(=O)O MCULE-2901685887 [0,2,0,0,0,0|2,0,0]=4 1039 B10R0.13 CC(=O)C(C)C(C)CC(=O)O MCULE-2467523561 [0,2,0,0,0,0|2,0,0]=4 1040 B10R0.13 CN(CC(=O)O)C(=O)C(=O)O MCULE-2539412176 [0,2,0,0,0,0|0,0,1]=3 1041 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,2,0,0,0,0|1,0,0]=3 1042 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,2,0,0,0,0|1,0,0]=3 1043 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,2,0,0,0,0|1,0,0]=3 1044 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,2,0,0,0,0|1,0,0]=3 1045 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,2,0,0,0,0|1,0,0]=3 1046 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,2,0,0,0,0|1,0,0]=3 1047 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-4149978058 [0,2,0,0,0,0|1,0,1]=4 1048 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-8718049660 [0,2,0,0,0,0|1,0,1]=4 1049 B10R0.43 CC(=O)C(C)(C)CCC(=O)O MCULE-2019736202 [0,2,0,0,0,0|2,0,0]=4 1050 B10R0.43 CC(=O)CCC(C)(C)C(=O)O MCULE-7949244890 [0,2,0,0,0,0|2,0,0]=4 1051 B10R0.43 CC(=O)CNC(C)(C)C(=O)C MCULE-1173600330 [0,2,0,0,0,0|2,0,0]=4 1052 B10R0.43 CC(=O)CNC(C)(C)C(=O)C MCULE-4157178396 [0,2,0,0,0,0|2,0,0]=4 1053 B10R0.43 CC(C)(CCC(=O)O)C(=O)O MCULE-3722680536 [0,2,0,0,0,0|1,0,0]=3 1054 B10R0.43 CC(C)(SCC(=O)O)C(=O)O MCULE-9761119610 [0,2,0,0,0,0|1,0,0]=3 1055 B10R0.43 CC(N)(CCC(=O)O)C(=O)O MCULE-3734637690 [0,2,0,0,0,0|1,0,0]=3 1056 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O MCULE-5201150112 [0,2,0,0,0,0|1,0,0]=3 1057 B10R0.43 O=C(O)CCC(F)(F)C(=O)O MCULE-3909124499 [0,2,0,0,0,0|1,0,0]=3 1058 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [0,2,0,0,0,0|2,0,0]=4 1059 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [0,2,0,0,0,0|1,0,0]=3 1060 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [0,2,0,0,0,0|1,0,0]=3 1061 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)O MCULE-1463462281 [0,2,0,0,0,0|2,0,0]=4 1062 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [0,2,0,0,0,0|1,0,0]=3 1063 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [0,2,0,0,0,0|1,0,0]=3 1064 B10R0.84 CN[C@H](CCC(=O)N)C(=O)O MCULE-2123714471 [0,2,0,0,0,0|2,0,0]=4 1065 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [0,2,0,0,0,0|1,0,0]=3 1066 B10R0.84 NN=C(CCC(=O)O)C(=O)O MCULE-4661582416 [0,2,0,0,0,0|1,0,1]=4 1067 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,2,0,0,0,0|2,0,0]=4 1068 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,2,0,0,0,0|2,0,0]=4 1069 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,2,0,0,0,0|2,0,0]=4 1070 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [0,2,0,0,0,0|2,0,0]=4 1071 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,2,0,0,0,0|2,0,0]=4 1072 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,2,0,0,0,0|2,0,0]=4 1073 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [0,2,0,0,0,0|2,0,0]=4 1074 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,2,0,0,0,0|2,0,0]=4 1075 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [0,2,0,0,0,0|2,0,0]=4 1076 B10R0.93 CC(=CC(C)C(=O)O)C(=O)O MCULE-3307721023 [0,2,0,0,0,0|1,0,1]=4 1077 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [0,2,0,0,0,0|1,0,0]=3 1078 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,2,0,0,0,0|1,0,0]=3 1079 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O MCULE-6318508526 [0,2,0,0,0,0|0,0,0]=2 1080 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,2,0,0,0,0|1,0,0]=3 1081 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,2,0,0,0,0|1,0,0]=3 1082 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,2,0,0,0,0|2,0,0]=4 1083 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,2,0,0,0,0|2,0,0]=4 1084 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [0,2,0,0,0,0|1,0,0]=3 1085 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [0,2,0,0,0,0|1,0,0]=3 1086 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [0,2,0,0,0,0|1,0,0]=3 1087 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,2,0,0,0,0|1,0,0]=3 1088 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [0,2,0,0,0,0|1,0,0]=3 1089 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [0,2,0,0,0,0|1,0,0]=3 1090 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [0,2,0,0,0,0|1,0,0]=3 1091 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,2,0,0,0,0|1,0,0]=3 1092 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,2,0,0,0,0|1,0,0]=3 1093 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [0,2,0,0,0,0|1,0,0]=3 1094 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [0,2,0,0,0,0|1,0,0]=3 1095 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [0,2,0,0,0,0|1,0,0]=3 1096 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [0,2,0,0,0,0|1,0,0]=3 1097 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [0,2,0,0,0,0|1,0,0]=3 1098 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [0,2,0,0,0,0|1,0,0]=3 1099 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [0,2,0,0,0,0|1,0,0]=3 1100 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [0,2,0,0,0,0|1,0,0]=3 1101 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,2,0,0,0,0|1,0,0]=3 1102 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,2,0,0,0,0|1,0,0]=3 1103 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [0,2,0,0,0,0|1,0,0]=3 1104 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [0,2,0,0,0,0|1,0,0]=3 1105 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [0,2,0,0,0,0|1,0,0]=3 1106 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [0,2,0,0,0,0|1,0,0]=3 1107 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,2,0,0,0,0|1,0,0]=3 1108 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O MCULE-2429859248 [0,2,0,0,0,0|1,0,0]=3 1109 B10R0.93 O=C(O)C(O)SC(O)C(=O)O MCULE-2925160633 [0,2,0,0,0,0|1,0,0]=3 1110 B10R0.165 CC(=O)CC(C)(C)CC(=O)O MCULE-4874610800 [0,2,0,0,0,0|2,0,0]=4 1111 B10R0.165 CC(C)(CC(=O)O)CC(=O)O MCULE-3688310273 [0,2,0,0,0,0|1,0,0]=3 1112 B10R0.165 CC(O)(CC(=O)O)CC(=O)O MCULE-9846508304 [0,2,0,0,0,0|1,0,0]=3 1113 B10R0.165 O=C(O)CC(F)(F)CC(=O)O MCULE-1340481205 [0,2,0,0,0,0|1,0,0]=3 1114 B10R0.165 O=C(O)CS(=O)(=O)CC(=O)O MCULE-1359587275 [0,2,0,0,0,0|1,0,0]=3 1115 B10R0.113 O=P(O)(O)CNCP(=O)(O)O MCULE-9667516901 [0,2,0,0,0,0|2,0,0]=4 1116 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [1,0,0,1,0,0|1,0,1]=4 1117 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [1,0,0,1,0,0|1,0,1]=4 1118 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [1,0,0,1,0,0|1,0,1]=4 1119 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [1,0,0,1,0,0|1,0,1]=4 1120 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [1,0,0,1,0,0|1,0,1]=4 1121 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [1,0,0,1,0,0|1,0,1]=4 1122 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [1,0,0,1,0,0|2,0,0]=4 1123 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [1,0,0,1,0,0|2,0,0]=4 1124 B8R1.4 O=C1C=C(COC1)O MCULE-2385941614 [1,0,0,1,0,0|2,0,0]=4 1125 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [1,0,0,1,0,0|2,0,0]=4 1126 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [1,0,0,1,0,0|2,0,0]=4 1127 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [1,0,0,1,0,0|1,0,0]=3 1128 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [1,0,0,1,0,0|2,0,0]=4 1129 B8R1.4 O=C1CNCC(=O)C1 MCULE-9390215509 [1,0,0,1,0,0|1,0,0]=3 1130 B8R1.4 O=C1CNCC(=O)C1 MCULE-9631657912 [1,0,0,1,0,0|1,0,0]=3 1131 B8R1.4 O=C1CNCC(=O)N1 MCULE-2684405909 [1,0,0,1,0,0|1,0,0]=3 1132 B8R1.4 O=C1CNCC(=O)N1 MCULE-8918860650 [1,0,0,1,0,0|1,0,0]=3 1133 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [1,0,0,1,0,0|2,0,0]=4 1134 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [1,0,0,1,0,0|2,0,0]=4 1135 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [1,0,0,1,0,0|1,0,0]=3 1136 B8R1.4 O=C1CSCC(=O)C1 MCULE-7749510849 [1,0,0,1,0,0|2,0,0]=4 1137 B8R1.4 O=C1CSCC(=O)N1 MCULE-5124635458 [1,0,0,1,0,0|2,0,0]=4 1138 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [1,0,0,1,0,0|1,0,0]=3 1139 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-6235987509 [1,0,0,1,0,0|2,0,0]=4 1140 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-9016019550 [1,0,0,1,0,0|2,0,0]=4 1141 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-2894820708 [1,0,0,1,0,0|2,0,0]=4 1142 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-3478764941 [1,0,0,1,0,0|2,0,0]=4 1143 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-6696620969 [1,0,0,1,0,0|2,0,0]=4 1144 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-7629009072 [1,0,0,1,0,0|2,0,0]=4 1145 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [1,0,0,1,0,0|2,0,0]=4 1146 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [1,0,0,1,0,0|1,0,0]=3 1147 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [1,0,0,1,0,0|1,0,0]=3 1148 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [1,0,0,1,0,0|1,0,0]=3 1149 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [1,0,0,1,0,0|1,0,0]=3 1150 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [1,0,0,1,0,0|2,0,0]=4 1151 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [1,0,0,1,0,0|2,0,0]=4 1152 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [1,0,0,1,0,0|1,0,1]=4 1153 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [1,0,0,1,0,0|1,0,1]=4 1154 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [1,0,0,1,0,0|1,0,1]=4 1155 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [1,0,0,1,0,0|1,0,1]=4 1156 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [1,0,0,1,0,0|1,0,1]=4 1157 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [1,0,0,1,0,0|1,0,1]=4 1158 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [1,0,0,1,0,0|2,0,0]=4 1159 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [1,0,0,1,0,0|2,0,0]=4 1160 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [1,0,0,1,0,0|2,0,0]=4 1161 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [1,0,0,1,0,0|2,0,0]=4 1162 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [1,0,0,1,0,0|0,1,1]=4 1163 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [1,0,0,1,0,0|1,0,0]=3 1164 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [1,0,0,1,0,0|1,0,0]=3 1165 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [1,0,0,1,0,0|1,0,0]=3 1166 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [1,0,0,1,0,0|1,0,0]=3 1167 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [1,0,0,1,0,0|1,0,1]=4 1168 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [1,0,0,1,0,0|1,0,1]=4 1169 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [1,0,0,1,0,0|1,0,1]=4 1170 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [1,0,0,1,0,0|1,0,1]=4 1171 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [1,0,0,1,0,0|1,0,1]=4 1172 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [1,0,0,1,0,0|1,0,1]=4 1173 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [1,0,0,1,0,0|2,0,0]=4 1174 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [1,0,0,1,0,0|2,0,0]=4 1175 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [1,0,0,1,0,0|2,0,0]=4 1176 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [1,0,0,1,0,0|2,0,0]=4 1177 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [1,0,0,1,0,0|2,0,0]=4 1178 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [1,0,0,1,0,0|2,0,0]=4 1179 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [1,0,0,1,0,0|1,0,0]=3 1180 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [1,0,0,1,0,0|1,0,0]=3 1181 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [1,0,0,1,0,0|1,0,0]=3 1182 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [1,0,0,1,0,0|1,0,1]=4 1183 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [1,0,0,1,0,0|1,0,1]=4 1184 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [1,0,0,1,0,0|1,0,1]=4 1185 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [1,0,0,1,0,0|1,0,1]=4 1186 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [1,0,0,1,0,0|2,0,0]=4 1187 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [1,0,0,1,0,0|2,0,0]=4 1188 B8R1.22 O=C1CNCCOC1 MCULE-7546546158 [1,0,0,1,0,0|1,0,1]=4 1189 B8R1.22 O=C1CNCCOC1 MCULE-9183427962 [1,0,0,1,0,0|1,0,1]=4 1190 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [1,0,0,1,0,0|2,0,0]=4 1191 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [1,0,0,1,0,0|1,0,1]=4 1192 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [1,0,0,1,0,0|1,0,1]=4 1193 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [1,0,0,1,0,0|1,0,1]=4 1194 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [1,0,0,1,0,0|1,0,1]=4 1195 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [1,0,0,1,0,0|1,0,1]=4 1196 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [1,0,0,1,0,0|1,0,1]=4 1197 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [1,0,0,1,0,0|1,0,1]=4 1198 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [1,0,0,1,0,0|1,0,1]=4 1199 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [1,0,0,1,0,0|1,0,1]=4 1200 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [1,0,0,1,0,0|1,0,1]=4 1201 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [1,0,0,1,0,0|1,0,1]=4 1202 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [1,0,0,1,0,0|1,0,1]=4 1203 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [1,0,0,1,0,0|1,0,1]=4 1204 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [1,0,0,1,0,0|2,0,0]=4 1205 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [1,0,0,1,0,0|2,0,0]=4 1206 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [1,0,0,1,0,0|1,0,1]=4 1207 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [1,0,0,1,0,0|1,0,1]=4 1208 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [1,0,0,1,0,0|1,0,1]=4 1209 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,0,0,1,1,0|2,0,0]=4 1210 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,1,1,0|2,0,0]=4 1211 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,0,0,1,1,0|2,0,0]=4 1212 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,1,0|1,0,0]=3 1213 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,1,1,0|1,0,1]=4 1214 B8R1.3 O=C1CNC(=O)CN1 MCULE-7134033861 [0,0,0,1,1,0|2,0,0]=4 1215 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,1,0|1,0,0]=3 1216 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,1,0|2,0,0]=4 1217 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,1,0|1,0,0]=3 1218 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,1,0|2,0,0]=4 1219 B8R1.23 CC(=O)N1CC(=O)C1 MCULE-4555368577 [0,0,0,1,1,0|2,0,0]=4 1220 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,0,0,1,1,0|1,0,1]=4 1221 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,0,0,1,1,0|1,0,1]=4 1222 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,0,0,1,1,0|1,0,1]=4 1223 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [0,0,0,1,1,0|2,0,0]=4 1224 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,1,0|1,0,0]=3 1225 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,1,0|1,0,0]=3 1226 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,1,0|0,0,0]=2 1227 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,1,0|1,0,0]=3 1228 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,1,0|1,0,0]=3 1229 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,1,0|1,0,0]=3 1230 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,1,0|1,0,0]=3 1231 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,0,0,1,1,0|2,0,0]=4 1232 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,0,0,1,1,0|1,0,1]=4 1233 B10R1.54 CC1=NN(CC1)CC(=O)O MCULE-8783102670 [0,0,0,1,0,1|2,0,0]=4 1234 B10R1.54 CC1=NN(CC1)CC(=O)O MCULE-9676954551 [0,0,0,1,0,1|2,0,0]=4 1235 B10R1.54 O=C(O)CC1=CC(=O)NN1 MCULE-5112159197 [0,0,0,1,0,1|2,0,0]=4 1236 B10R1.54 O=C(O)CC1=NC(=O)CS1 MCULE-1484851404 [0,0,0,1,0,1|2,0,0]=4 1237 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-7161298106 [0,0,0,1,0,1|1,0,1]=4 1238 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-8476180516 [0,0,0,1,0,1|1,0,1]=4 1239 B10R1.54 O=C(O)CC1CCC(=O)C1 MCULE-8065311815 [0,0,0,1,0,1|2,0,0]=4 1240 B10R1.54 O=C(O)CC1CCC(=O)N1 MCULE-4378271581 [0,0,0,1,0,1|2,0,0]=4 1241 B10R1.54 O=C(O)CC1CCC(=O)O1 MCULE-3722776234 [0,0,0,1,0,1|1,0,0]=3 1242 B10R1.54 O=C(O)CC1CNC(=O)C1 MCULE-1228415378 [0,0,0,1,0,1|2,0,0]=4 1243 B10R1.54 O=C(O)CC1COC(=O)C1 MCULE-9024324984 [0,0,0,1,0,1|2,0,0]=4 1244 B10R1.54 O=C(O)CN1C=C(C=N1)O MCULE-6199055881 [0,0,0,1,0,1|1,0,1]=4 1245 B10R1.54 O=C(O)CN1C=NC(=N1)O MCULE-6673758059 [0,0,0,1,0,1|1,0,1]=4 1246 B10R1.54 O=C(O)CN1C=NC(=N1)O MCULE-9630700318 [0,0,0,1,0,1|1,0,1]=4 1247 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-1558139461 [0,0,0,1,0,1|1,0,0]=3 1248 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-6202445610 [0,0,0,1,0,1|1,0,0]=3 1249 B10R1.54 O=C(O)CN1CCC(C1)O MCULE-7707471649 [0,0,0,1,0,1|1,0,1]=4 1250 B10R1.54 O=C(O)CN1CCC(C1)O MCULE-8936002282 [0,0,0,1,0,1|1,0,1]=4 1251 B10R1.54 O=C(O)CN1CC[C@@H](C1)O MCULE-1249814394 [0,0,0,1,0,1|1,0,1]=4 1252 B10R1.54 O=C(O)CN1CC[C@@H](C1)O MCULE-2140738871 [0,0,0,1,0,1|1,0,1]=4 1253 B10R1.54 O=C(O)CN1CC[C@H](C1)O MCULE-4416769889 [0,0,0,1,0,1|1,0,1]=4 1254 B10R1.54 O=C(O)CN1CC[C@H](C1)O MCULE-4926367147 [0,0,0,1,0,1|1,0,1]=4 1255 B10R1.54 O=C(O)CN1N=NC(=N1)O MCULE-5102764133 [0,0,0,1,0,1|2,0,0]=4 1256 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-5520496479 [0,0,0,1,0,1|1,0,1]=4 1257 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-9606256613 [0,0,0,1,0,1|1,0,1]=4 1258 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-2294433482 [0,0,0,1,0,1|2,0,0]=4 1259 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 MCULE-6637712682 [0,0,0,1,0,1|2,0,0]=4 1260 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-1516021519 [0,0,0,1,0,1|1,0,1]=4 1261 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-4246846585 [0,0,0,1,0,1|1,0,1]=4 1262 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-5090681884 [0,0,0,1,0,1|1,0,1]=4 1263 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-6554402545 [0,0,0,1,0,1|1,0,1]=4 1264 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-8720083389 [0,0,0,1,0,1|1,0,1]=4 1265 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-9359661762 [0,0,0,1,0,1|1,0,1]=4 1266 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-1700675888 [0,0,0,1,0,1|2,0,0]=4 1267 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-3179723751 [0,0,0,1,0,1|2,0,0]=4 1268 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-1080082151 [0,0,0,1,0,1|2,0,0]=4 1269 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 MCULE-2947978966 [0,0,0,1,0,1|2,0,0]=4 1270 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 MCULE-1807368276 [0,0,0,1,0,1|2,0,0]=4 1271 B10R1.82 O=C(O)CCC1CC(=O)C1 MCULE-8509527472 [0,0,0,1,0,1|2,0,0]=4 1272 B10R1.113 CC1CNCC(O1)C(=O)O MCULE-4851002529 [0,0,0,1,0,1|1,0,1]=4 1273 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-1640808929 [0,0,0,1,0,1|1,0,1]=4 1274 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-5152957457 [0,0,0,1,0,1|1,0,1]=4 1275 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-2758341308 [0,0,0,1,0,1|1,0,1]=4 1276 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-7585455422 [0,0,0,1,0,1|1,0,1]=4 1277 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-1307689360 [0,0,0,1,0,1|1,0,1]=4 1278 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-6671293935 [0,0,0,1,0,1|1,0,1]=4 1279 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-2725116552 [0,0,0,1,0,1|2,0,0]=4 1280 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-7493333189 [0,0,0,1,0,1|2,0,0]=4 1281 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-1390000123 [0,0,0,1,0,1|1,0,1]=4 1282 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-5873942206 [0,0,0,1,0,1|1,0,1]=4 1283 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O MCULE-5317131791 [0,0,0,1,0,1|1,0,1]=4 1284 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1474484031 [0,0,0,1,0,1|1,0,1]=4 1285 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1820373402 [0,0,0,1,0,1|1,0,1]=4 1286 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4771226737 [0,0,0,1,0,1|1,0,1]=4 1287 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4907773186 [0,0,0,1,0,1|1,0,1]=4 1288 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-8175624129 [0,0,0,1,0,1|1,0,1]=4 1289 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-4751772547 [0,0,0,1,0,1|1,0,1]=4 1290 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-6686826243 [0,0,0,1,0,1|1,0,1]=4 1291 B10R1.113 O=C1C=C(CCC1)C(=O)O MCULE-6477437107 [0,0,0,1,0,1|2,0,0]=4 1292 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [0,0,0,1,0,1|2,0,0]=4 1293 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-4653652849 [0,0,0,1,0,1|2,0,0]=4 1294 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-5555795045 [0,0,0,1,0,1|2,0,0]=4 1295 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,0,0,1,0,1|2,0,0]=4 1296 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,0,0,1,0,1|2,0,0]=4 1297 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,0,0,1,0,1|2,0,0]=4 1298 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,0,0,1,0,1|2,0,0]=4 1299 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,0,0,1,0,1|2,0,0]=4 1300 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,0,0,1,0,1|2,0,0]=4 1301 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,0,0,1,0,1|2,0,0]=4 1302 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,0,0,1,0,1|2,0,0]=4 1303 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,0,0,1,0,1|2,0,0]=4 1304 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,0,0,1,0,1|1,0,0]=3 1305 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,0,0,1,0,1|1,0,0]=3 1306 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,0,0,1,0,1|1,0,0]=3 1307 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,0,0,1,0,1|1,0,0]=3 1308 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,0,0,1,0,1|1,0,0]=3 1309 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,0,0,1,0,1|1,0,0]=3 1310 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [0,0,0,1,0,1|1,0,0]=3 1311 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [0,0,0,1,0,1|1,0,0]=3 1312 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [0,0,0,1,0,1|1,0,0]=3 1313 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [0,0,0,1,0,1|2,0,0]=4 1314 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [0,0,0,1,0,1|2,0,0]=4 1315 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [0,0,0,1,0,1|2,0,0]=4 1316 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [0,0,0,1,0,1|2,0,0]=4 1317 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [0,0,0,1,0,1|2,0,0]=4 1318 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,0,0,1,0,1|2,0,0]=4 1319 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [0,0,0,1,0,1|2,0,0]=4 1320 B10R1.113 O=C1NCCC(O1)C(=O)O MCULE-1272116406 [0,0,0,1,0,1|1,0,0]=3 1321 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,0,0,1,0,1|2,0,0]=4 1322 B10R1.361 CC(=O)N1CCC1C(=O)O MCULE-4216069349 [0,0,0,1,0,1|2,0,0]=4 1323 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O MCULE-3086147567 [0,0,0,1,0,1|2,0,0]=4 1324 B10R1.361 NC(=O)C1CCC1C(=O)O MCULE-3903818494 [0,0,0,1,0,1|2,0,0]=4 1325 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [0,0,0,1,0,1|1,0,0]=3 1326 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [0,0,0,1,0,1|1,0,0]=3 1327 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [0,0,0,1,0,1|1,0,0]=3 1328 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [0,0,0,1,0,1|1,0,0]=3 1329 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [0,0,0,1,0,1|1,0,0]=3 1330 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [0,0,0,1,0,1|1,0,0]=3 1331 B10R1.361 [C@@H]1(CC[C@@H]1C(=O)O)C(=O)O MCULE-4637916300 [0,0,0,1,0,1|1,0,0]=3 1332 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O MCULE-8093925660 [0,1,0,1,0,0|1,0,1]=4 1333 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O MCULE-9603514021 [0,1,0,1,0,0|1,0,1]=4 1334 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O MCULE-4706739993 [0,1,0,1,0,0|1,0,1]=4 1335 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O MCULE-9210189761 [0,1,0,1,0,0|1,0,1]=4 1336 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-3204705068 [0,1,0,1,0,0|1,0,1]=4 1337 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-7178398033 [0,1,0,1,0,0|1,0,1]=4 1338 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1384355113 [0,1,0,1,0,0|1,0,1]=4 1339 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1678351091 [0,1,0,1,0,0|1,0,1]=4 1340 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-5287470680 [0,1,0,1,0,0|1,0,1]=4 1341 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-7907264464 [0,1,0,1,0,0|1,0,1]=4 1342 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-2425882122 [0,1,0,1,0,0|1,0,1]=4 1343 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3071319870 [0,1,0,1,0,0|1,0,1]=4 1344 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3130571634 [0,1,0,1,0,0|1,0,1]=4 1345 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-4156067811 [0,1,0,1,0,0|1,0,1]=4 1346 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-6185299507 [0,1,0,1,0,0|1,0,1]=4 1347 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-8875046289 [0,1,0,1,0,0|1,0,1]=4 1348 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-2267551829 [0,1,0,1,0,0|1,0,1]=4 1349 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7339394632 [0,1,0,1,0,0|1,0,1]=4 1350 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7777420620 [0,1,0,1,0,0|1,0,1]=4 1351 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-9629486094 [0,1,0,1,0,0|1,0,1]=4 1352 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-3991583469 [0,1,0,1,0,0|1,0,1]=4 1353 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8329848691 [0,1,0,1,0,0|1,0,1]=4 1354 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8730600296 [0,1,0,1,0,0|1,0,1]=4 1355 B10R1.13 O=C1CCC(CC1)C(=O)O MCULE-3268045048 [0,1,0,1,0,0|2,0,0]=4 1356 B10R1.13 O=C1CCC(CN1)C(=O)O MCULE-9788917215 [0,1,0,1,0,0|2,0,0]=4 1357 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-4067834062 [0,1,0,1,0,0|1,0,0]=3 1358 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-8147757527 [0,1,0,1,0,0|1,0,0]=3 1359 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-3191286949 [0,1,0,1,0,0|2,0,0]=4 1360 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-9692186311 [0,1,0,1,0,0|2,0,0]=4 1361 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-4350301488 [0,1,0,1,0,0|1,0,0]=3 1362 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-6122427477 [0,1,0,1,0,0|1,0,0]=3 1363 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-7864506900 [0,1,0,1,0,0|1,0,0]=3 1364 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-8690683788 [0,1,0,1,0,0|1,0,0]=3 1365 B10R1.13 O=C1CC[C@H](CN1)C(=O)O MCULE-6590332785 [0,1,0,1,0,0|2,0,0]=4 1366 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-2845724258 [0,1,0,1,0,0|1,0,0]=3 1367 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-4534690891 [0,1,0,1,0,0|1,0,0]=3 1368 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-5755683417 [0,1,0,1,0,0|1,0,0]=3 1369 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-6015971784 [0,1,0,1,0,0|1,0,0]=3 1370 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-1011618274 [0,1,0,1,0,0|1,0,0]=3 1371 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-9345081526 [0,1,0,1,0,0|1,0,0]=3 1372 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-1270509503 [0,1,0,1,0,0|1,0,0]=3 1373 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-5912128916 [0,1,0,1,0,0|1,0,0]=3 1374 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-6974754540 [0,1,0,1,0,0|1,0,0]=3 1375 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-9137341829 [0,1,0,1,0,0|1,0,0]=3 1376 B10R1.13 O=C1CN[C@H](CN1)C(=O)O MCULE-8928326150 [0,1,0,1,0,0|1,0,0]=3 1377 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1423621462 [0,1,0,1,0,0|1,0,1]=4 1378 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1814136074 [0,1,0,1,0,0|1,0,1]=4 1379 B10R1.14 C1(CCC(=O)C1)C(=O)OC MCULE-8334918383 [0,1,0,1,0,0|2,0,0]=4 1380 B10R1.14 C1(CCC(=O)N1)C(=O)OC MCULE-5897242243 [0,1,0,1,0,0|2,0,0]=4 1381 B10R1.14 C=C1CNC(C1)C(=O)OC MCULE-4635683717 [0,1,0,1,0,0|2,0,0]=4 1382 B10R1.14 C=C1CNC(C1)C(=O)OC MCULE-9917502383 [0,1,0,1,0,0|2,0,0]=4 1383 B10R1.14 C=C1CN[C@@H](C1)C(=O)OC MCULE-2960661877 [0,1,0,1,0,0|2,0,0]=4 1384 B10R1.14 C=C1CN[C@@H](C1)C(=O)OC MCULE-3356870567 [0,1,0,1,0,0|2,0,0]=4 1385 B10R1.14 C=C1CN[C@@H](C1)C(=O)OC MCULE-5709460460 [0,1,0,1,0,0|2,0,0]=4 1386 B10R1.14 C=C1CN[C@@H](C1)C(=O)OC MCULE-5969395974 [0,1,0,1,0,0|2,0,0]=4 1387 B10R1.14 COC(=O)C1CC(=O)CO1 MCULE-2471814999 [0,1,0,1,0,0|2,0,0]=4 1388 B10R1.14 COC(=O)C1CC(CN1)O MCULE-7417308251 [0,1,0,1,0,0|1,0,1]=4 1389 B10R1.14 COC(=O)C1CC(CN1)O MCULE-8127150549 [0,1,0,1,0,0|1,0,1]=4 1390 B10R1.14 COC(=O)C1CCC(=O)C1 MCULE-5952382453 [0,1,0,1,0,0|2,0,0]=4 1391 B10R1.14 COC(=O)C1CCC(=O)N1 MCULE-2849406517 [0,1,0,1,0,0|2,0,0]=4 1392 B10R1.14 COC(=O)C1CCC(=O)O1 MCULE-7228187740 [0,1,0,1,0,0|1,0,0]=3 1393 B10R1.14 COC(=O)C1CNC(=O)O1 MCULE-2096777093 [0,1,0,1,0,0|2,0,0]=4 1394 B10R1.14 COC(=O)[C@@H]1CC(CN1)O MCULE-1283857272 [0,1,0,1,0,0|1,0,1]=4 1395 B10R1.14 COC(=O)[C@@H]1CC(CN1)O MCULE-1946068889 [0,1,0,1,0,0|1,0,1]=4 1396 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 MCULE-7952909342 [0,1,0,1,0,0|2,0,0]=4 1397 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 MCULE-8638772412 [0,1,0,1,0,0|2,0,0]=4 1398 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 MCULE-6776274122 [0,1,0,1,0,0|2,0,0]=4 1399 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 MCULE-8837580582 [0,1,0,1,0,0|2,0,0]=4 1400 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 MCULE-7346796735 [0,1,0,1,0,0|1,0,0]=3 1401 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 MCULE-1667021734 [0,1,0,1,0,0|2,0,0]=4 1402 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 MCULE-9531113453 [0,1,0,1,0,0|2,0,0]=4 1403 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)O MCULE-5518895757 [0,1,0,1,0,0|1,0,1]=4 1404 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)O MCULE-5601019886 [0,1,0,1,0,0|1,0,1]=4 1405 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)O MCULE-7806570596 [0,1,0,1,0,0|1,0,1]=4 1406 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)O MCULE-9487428732 [0,1,0,1,0,0|1,0,1]=4 1407 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O MCULE-3617032083 [0,1,0,1,0,0|1,0,1]=4 1408 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O MCULE-3763938961 [0,1,0,1,0,0|1,0,1]=4 1409 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O MCULE-4682429159 [0,1,0,1,0,0|1,0,1]=4 1410 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O MCULE-5777795887 [0,1,0,1,0,0|1,0,1]=4 1411 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 MCULE-6859943891 [0,1,0,1,0,0|2,0,0]=4 1412 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 MCULE-7172592478 [0,1,0,1,0,0|2,0,0]=4 1413 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 MCULE-7163955131 [0,1,0,1,0,0|2,0,0]=4 1414 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 MCULE-8190805012 [0,1,0,1,0,0|2,0,0]=4 1415 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-2949058133 [0,1,0,1,0,0|1,0,0]=3 1416 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-7663400355 [0,1,0,1,0,0|1,0,0]=3 1417 B10R1.14 COC(=O)[C@H]1C[C@@H](CN1)O MCULE-1245408761 [0,1,0,1,0,0|1,0,1]=4 1418 B10R1.14 COC(=O)[C@H]1C[C@@H](CN1)O MCULE-3057383638 [0,1,0,1,0,0|1,0,1]=4 1419 B10R1.14 COC(=O)[C@H]1C[C@@H](CN1)O MCULE-4148644588 [0,1,0,1,0,0|1,0,1]=4 1420 B10R1.14 COC(=O)[C@H]1C[C@@H](CN1)O MCULE-9267825535 [0,1,0,1,0,0|1,0,1]=4 1421 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O MCULE-1940578186 [0,1,0,1,0,0|1,0,1]=4 1422 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O MCULE-2778952777 [0,1,0,1,0,0|1,0,1]=4 1423 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O MCULE-5090473531 [0,1,0,1,0,0|1,0,1]=4 1424 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O MCULE-6223710798 [0,1,0,1,0,0|1,0,1]=4 1425 B10R1.14 [C@@H]1(CN[C@H](C1)C(=O)OC)O MCULE-2597929891 [0,1,0,1,0,0|1,0,1]=4 1426 B10R1.14 [C@@H]1(CN[C@H](C1)C(=O)OC)O MCULE-4487472832 [0,1,0,1,0,0|1,0,1]=4 1427 B10R1.14 [C@H]1(CCC(=O)O1)C(=O)OC MCULE-8761301192 [0,1,0,1,0,0|1,0,0]=3 1428 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O MCULE-2339543928 [0,1,0,1,0,0|1,0,1]=4 1429 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O MCULE-2951589630 [0,1,0,1,0,0|1,0,1]=4 1430 B10R1.31 O=C(O)C1CCC(=NO)C1 MCULE-1447348290 [0,1,0,1,0,0|2,0,0]=4 1431 B10R1.150 COC(=O)CC1CC(=O)C1 MCULE-7681464009 [0,1,0,1,0,0|2,0,0]=4 1432 B10R1.194 CN1C(=O)CCC1C(=O)O MCULE-1836057812 [0,1,0,1,0,0|2,0,0]=4 1433 B10R1.194 CN1C(=O)CCC1C(=O)O MCULE-7449426037 [0,1,0,1,0,0|2,0,0]=4 1434 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O MCULE-5515047051 [0,1,0,1,0,0|2,0,0]=4 1435 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O MCULE-6485454128 [0,1,0,1,0,0|2,0,0]=4 1436 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O MCULE-7960298498 [0,1,0,1,0,0|2,0,0]=4 1437 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O MCULE-9649189424 [0,1,0,1,0,0|2,0,0]=4 1438 B10R1.408 CNC(=O)C1CC1C(=O)O MCULE-5991575859 [0,1,0,1,0,0|2,0,0]=4 1439 B10R1.408 CNC(=O)[C@H]1C[C@@H]1C(=O)O MCULE-5485938531 [0,1,0,1,0,0|2,0,0]=4 1440 B10R1.408 COC(=O)C1CC1C(=O)C MCULE-9692510329 [0,1,0,1,0,0|2,0,0]=4 1441 B10R1.408 COC(=O)C1CC1C(=O)O MCULE-7866234212 [0,1,0,1,0,0|1,0,0]=3 1442 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O MCULE-3699835184 [0,1,0,1,0,0|1,0,0]=3 1443 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O MCULE-8154738068 [0,1,0,1,0,0|1,0,0]=3 1444 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O MCULE-5512209759 [0,1,0,1,0,0|1,0,0]=3 1445 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O MCULE-9728286418 [0,1,0,1,0,0|1,0,0]=3 1446 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(=O)O MCULE-2394122729 [0,1,0,1,0,0|1,0,0]=3 1447 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O MCULE-9017164187 [0,1,0,1,0,0|1,0,0]=3 1448 B10R1.408 [C@H]1(C[C@H]1C(=O)OC)C(=O)O MCULE-5989838336 [0,1,0,1,0,0|1,0,0]=3 1449 B10R1.58 CN1CC(OC1=O)C(=O)O MCULE-1158187923 [0,1,0,1,0,0|2,0,0]=4 1450 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-3594620408 [0,1,0,1,0,0|2,0,0]=4 1451 B10R1.58 O=C(O)[C@@H]1C[C@H](C(=O)N1)F MCULE-7616817872 [0,1,0,1,0,0|2,0,0]=4 1452 B10R1.58 O=C1NC(CC1F)C(=O)O MCULE-5782471146 [0,1,0,1,0,0|2,0,0]=4 1453 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-5667846232 [0,1,0,1,0,0|2,0,0]=4 1454 B10R1.58 O=C1N[C@@H](C[C@@H]1F)C(=O)O MCULE-8319847079 [0,1,0,1,0,0|2,0,0]=4 1455 B10R1.349 O=C(O)C1CC(C1)C(=O)O MCULE-7515334695 [0,1,0,1,0,0|1,0,0]=3 1456 B10R1.349 O=C(O)C1CC(N1)C(=O)O MCULE-2441047831 [0,1,0,1,0,0|0,0,0]=2 1457 B10R1.349 O=C(O)[C@H]1C[C@@H](C1)C(=O)O MCULE-7021077384 [0,1,0,1,0,0|1,0,0]=3 1458 B10R1.349 O=C(O)[C@H]1C[C@H](C1)C(=O)O MCULE-2423808428 [0,1,0,1,0,0|1,0,0]=3 1459 B10R1.360 CC1(CC1C(=O)O)C(=O)O MCULE-1315514899 [0,1,0,1,0,0|1,0,0]=3 1460 B10R1.470 CC1(CC(CN1)O)C(=O)O MCULE-1962390815 [0,1,0,1,0,0|1,0,1]=4 1461 B10R1.470 CC1(CC(CN1)O)C(=O)O MCULE-3381499671 [0,1,0,1,0,0|1,0,1]=4 1462 B10R1.470 CC1(CCC(=O)C1)C(=O)O MCULE-8301527257 [0,1,0,1,0,0|2,0,0]=4 1463 B10R1.470 CC1(CCC(=O)N1)C(=O)O MCULE-6271364258 [0,1,0,1,0,0|2,0,0]=4 1464 B10R1.470 CC1(CCC(=O)O1)C(=O)O MCULE-2009596037 [0,1,0,1,0,0|1,0,0]=3 1465 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-6399167225 [0,1,0,1,0,0|2,0,0]=4 1466 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-7144294782 [0,1,0,1,0,0|2,0,0]=4 1467 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6153592913 [0,1,0,1,0,0|2,0,0]=4 1468 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6971506580 [0,1,0,1,0,0|2,0,0]=4 1469 B10R1.59 CC1CC(=O)NC1C(=O)O MCULE-1142843058 [0,1,0,1,0,0|2,0,0]=4 1470 B10R1.59 CN1CC(CC1C(=O)O)O MCULE-6963505872 [0,1,0,1,0,0|1,0,1]=4 1471 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O MCULE-7645006550 [0,1,0,1,0,0|1,0,1]=4 1472 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)O MCULE-4289101461 [0,1,0,1,0,0|1,0,1]=4 1473 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)O MCULE-5652344615 [0,1,0,1,0,0|1,0,1]=4 1474 B10R1.59 CN1C[C@H](C[C@@H]1C(=O)O)O MCULE-4231676044 [0,1,0,1,0,0|1,0,1]=4 1475 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O MCULE-2551559641 [0,1,0,1,0,0|1,0,1]=4 1476 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O MCULE-4981449681 [0,1,0,1,0,0|1,0,1]=4 1477 B10R1.59 CN1NC(=O)CC1C(=O)O MCULE-1720509184 [0,1,0,1,0,0|2,0,0]=4 1478 B10R1.59 CN1NC(=O)CC1C(=O)O MCULE-3806344360 [0,1,0,1,0,0|2,0,0]=4 1479 B10R1.59 C[C@@H]1CC(=O)N[C@@H]1C(=O)O MCULE-5687745727 [0,1,0,1,0,0|2,0,0]=4 1480 B10R1.59 C[C@@H]1CC(=O)N[C@H]1C(=O)O MCULE-3978079245 [0,1,0,1,0,0|2,0,0]=4 1481 B10R1.59 C[C@H]1CC(=O)N[C@@H]1C(=O)O MCULE-1352855018 [0,1,0,1,0,0|2,0,0]=4 1482 B10R1.59 C[C@H]1CC(=O)N[C@H]1C(=O)O MCULE-6205979547 [0,1,0,1,0,0|2,0,0]=4 1483 B10R1.282 C=C1C(C1C(=O)O)C(=O)O MCULE-8215023904 [0,1,0,1,0,0|1,0,0]=3 1484 B10R1.282 C=C1[C@@H]([C@H]1C(=O)O)C(=O)O MCULE-9621561536 [0,1,0,1,0,0|1,0,0]=3 1485 B10R1.282 C=C1[C@H]([C@@H]1C(=O)O)C(=O)O MCULE-3101001045 [0,1,0,1,0,0|1,0,0]=3 1486 B10R1.282 CC1C(C1C(=O)O)C(=O)O MCULE-6282240195 [0,1,0,1,0,0|1,0,0]=3 1487 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,2,0|2,0,0]=4 1488 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,2,0|2,0,0]=4 1489 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,2,0|2,0,0]=4 1490 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,2,0|2,0,0]=4 1491 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,2,0|1,0,0]=3 1492 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,2,0|1,0,1]=4 1493 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,2,0|1,0,1]=4 1494 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,2,0|2,0,0]=4 1495 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,2,0|2,0,0]=4 1496 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,2,0|1,0,1]=4 1497 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,2,0|1,0,1]=4 1498 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,2,0|1,0,1]=4 1499 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,2,0|1,0,1]=4 1500 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,2,0|1,0,1]=4 1501 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,2,0|1,0,1]=4 1502 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,2,0|2,0,0]=4 1503 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,2,0|1,0,0]=3 1504 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,0,0,0,2,0|2,0,0]=4 1505 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,2,0|2,0,0]=4 1506 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,2,0|1,0,1]=4 1507 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,2,0|0,0,0]=2 1508 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,2,0|1,0,1]=4 1509 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,2,0|0,0,2]=4 1510 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,2,0|0,0,2]=4 1511 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [0,0,0,0,0,2|2,0,0]=4 1512 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [0,0,0,0,0,2|2,0,0]=4 1513 B10R0.97 CC(=O)NCCOCC(=O)O MCULE-8156973678 [0,0,0,0,0,2|2,0,0]=4 1514 B10R0.97 CC(=O)NCSCCC(=O)O MCULE-1672994332 [0,0,0,0,0,2|2,0,0]=4 1515 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [0,0,0,0,0,2|2,0,0]=4 1516 B10R0.97 O=C(O)CCCCCC(=O)O MCULE-9618389016 [0,0,0,0,0,2|1,0,0]=3 1517 B10R0.97 O=C(O)CCNCCC(=O)O MCULE-9497656945 [0,0,0,0,0,2|0,0,0]=2 1518 B10R0.97 O=C(O)CCOCCC(=O)O MCULE-3213537394 [0,0,0,0,0,2|1,0,0]=3 1519 B10R0.97 O=C(O)CCSCCC(=O)O MCULE-1300073378 [0,0,0,0,0,2|1,0,0]=3 1520 B10R0.97 O=C(O)CSCSCC(=O)O MCULE-7223873834 [0,0,0,0,0,2|1,0,0]=3