0 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.75 C=CCSSC[C@H](N)C(=O)O MCULE-8012244687 [0,0,0,0,0,0|1,0,1]=2 6 B10R0.75 CCCCCCC(Br)C(=O)O MCULE-3532642872 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.75 CCCCCCC(C)C(=O)O MCULE-6664640382 [0,0,0,0,0,0|4,0,0]=4 8 B10R0.75 CCCCCCC(F)C(=O)O MCULE-3865739259 [0,0,0,0,0,0|4,0,0]=4 9 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [0,0,0,0,0,0|3,0,0]=3 10 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [0,0,0,0,0,0|3,0,0]=3 11 B10R0.75 CCCCCCC(O)C(=O)O MCULE-1679305682 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [0,0,0,0,0,0|3,0,0]=3 13 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [0,0,0,0,0,0|3,0,0]=3 14 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [0,0,0,0,0,0|3,0,0]=3 15 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [0,0,0,0,0,0|3,0,0]=3 16 B10R0.75 CCCCSC[C@@H](N)C(=O)O MCULE-8737283640 [0,0,0,0,0,0|2,0,0]=2 17 B10R0.75 CCCCSC[C@H](N)C(=O)O MCULE-5383064231 [0,0,0,0,0,0|2,0,0]=2 18 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [0,0,0,0,0,0|4,0,0]=4 19 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [0,0,0,0,0,0|4,0,0]=4 20 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [0,0,0,0,0,0|4,0,0]=4 21 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [0,0,0,0,0,0|4,0,0]=4 22 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.75 COCCSCC(N)C(=O)O MCULE-1808987613 [0,0,0,0,0,0|3,0,0]=3 25 B10R0.75 N#CCCSCC(N)C(=O)O MCULE-3478080944 [0,0,0,0,0,0|2,0,1]=3 26 B10R0.75 NC(CCNCC=O)C(=O)O MCULE-6659524915 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.75 NC(CSCCCO)C(=O)O MCULE-6250464318 [0,0,0,0,0,0|1,0,0]=1 28 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [0,0,0,0,0,0|3,0,0]=3 29 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [0,0,0,0,0,0|3,0,0]=3 30 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [0,0,0,0,0,0|3,0,0]=3 31 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [0,0,0,0,0,0|3,0,0]=3 32 B10R0.75 NCCCSC[C@H](N)C(=O)O MCULE-9670718396 [0,0,0,0,0,0|2,0,0]=2 33 B10R0.75 NCCC[Se]C[C@H](N)C(=O)O MCULE-4318104451 [0,0,0,0,0,0|2,1,0]=3 34 B10R0.75 NCCO/C=C/[C@H](N)C(=O)O MCULE-3843418907 [0,0,0,0,0,0|2,1,1]=4 35 B10R0.75 NCCO/C=C/[C@H](N)C(=O)O MCULE-9640707026 [0,0,0,0,0,0|2,1,1]=4 36 B10R0.75 NCCOC=CC(N)C(=O)O MCULE-1542354581 [0,0,0,0,0,0|2,1,1]=4 37 B10R0.75 NCCOC=C[C@H](N)C(=O)O MCULE-5022414897 [0,0,0,0,0,0|2,1,1]=4 38 B10R0.75 NCCOC=C[C@H](N)C(=O)O MCULE-6783991597 [0,0,0,0,0,0|2,1,1]=4 39 B10R0.75 N[C@@H](CCSCCO)C(=O)O MCULE-2974080305 [0,0,0,0,0,0|1,0,0]=1 40 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-1323141415 [0,0,0,0,0,0|1,0,0]=1 41 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-8256841743 [0,0,0,0,0,0|1,0,0]=1 42 B10R0.75 N[C@@H](CSSCCO)C(=O)O MCULE-7717227685 [0,0,0,0,0,0|0,0,0]=0 43 B9R0.2 CCCC=CCCC(=O)O MCULE-8091554117 [1,0,0,0,0,0|3,0,0]=4 44 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [1,0,0,0,0,0|3,0,0]=4 45 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [1,0,0,0,0,0|2,1,0]=4 46 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [1,0,0,0,0,0|2,0,0]=3 47 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [1,0,0,0,0,0|2,1,0]=4 48 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [1,0,0,0,0,0|2,0,0]=3 49 B9R0.2 NC(=O)CCCCCCO MCULE-7432797193 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.2 NC(=O)CCNCCCO MCULE-1089880795 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.2 NC(=O)CCNCCCO MCULE-8808474432 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [1,0,0,0,0,0|3,0,0]=4 54 B9R0.2 NCCSSCCC(=O)O MCULE-2378332819 [1,0,0,0,0,0|1,0,0]=2 55 B9R0.2 NCCSSCCC(=O)O MCULE-4249865017 [1,0,0,0,0,0|1,0,0]=2 56 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [1,0,0,0,0,0|3,0,0]=4 58 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [1,0,0,0,0,0|2,0,0]=3 59 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [1,0,0,0,0,0|2,1,0]=4 60 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [1,0,0,0,0,0|2,0,0]=3 61 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [1,0,0,0,0,0|3,0,0]=4 62 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [1,0,0,0,0,0|2,0,1]=4 63 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [1,0,0,0,0,0|2,0,1]=4 65 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.47 C#CCOC[C@H](N)C(=O)O MCULE-8879805332 [1,0,0,0,0,0|1,1,1]=4 67 B9R0.47 C#CCSCC(N)C(=O)O MCULE-8696971754 [1,0,0,0,0,0|1,0,1]=3 68 B9R0.47 C#CCSC[C@H](N)C(=O)O MCULE-9301300062 [1,0,0,0,0,0|1,0,1]=3 69 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [1,0,0,0,0,0|2,0,0]=3 70 B9R0.47 C/C=C/SC[C@H](N)C(=O)O MCULE-2540874981 [1,0,0,0,0,0|1,0,1]=3 71 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [1,0,0,0,0,0|2,0,1]=4 73 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [1,0,0,0,0,0|2,0,1]=4 75 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [1,0,0,0,0,0|2,0,1]=4 77 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [1,0,0,0,0,0|2,0,1]=4 78 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [1,0,0,0,0,0|1,0,1]=3 79 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [1,0,0,0,0,0|1,0,1]=3 80 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [1,0,0,0,0,0|1,0,1]=3 81 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [1,0,0,0,0,0|1,0,1]=3 82 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [1,0,0,0,0,0|1,0,1]=3 83 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [1,0,0,0,0,0|1,0,1]=3 84 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [1,0,0,0,0,0|1,0,1]=3 85 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [1,0,0,0,0,0|1,0,2]=4 86 B9R0.47 CC(CSCCN)C(=O)O MCULE-8181129041 [1,0,0,0,0,0|2,0,0]=3 87 B9R0.47 CC(CSCCN)C(=O)O MCULE-9927031234 [1,0,0,0,0,0|2,0,0]=3 88 B9R0.47 CC=CSC[C@H](N)C(=O)O MCULE-2840170360 [1,0,0,0,0,0|1,0,1]=3 89 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [1,0,0,0,0,0|3,0,0]=4 90 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [1,0,0,0,0,0|2,0,0]=3 91 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [1,0,0,0,0,0|2,0,0]=3 92 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [1,0,0,0,0,0|3,0,0]=4 93 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [1,0,0,0,0,0|2,0,0]=3 94 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [1,0,0,0,0,0|2,0,0]=3 95 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [1,0,0,0,0,0|2,0,0]=3 96 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [1,0,0,0,0,0|2,0,0]=3 97 B9R0.47 CCCCSC(C)C(=O)O MCULE-1538375330 [1,0,0,0,0,0|3,0,0]=4 98 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [1,0,0,0,0,0|1,0,0]=2 99 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [1,0,0,0,0,0|1,0,0]=2 100 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [1,0,0,0,0,0|1,0,0]=2 101 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [1,0,0,0,0,0|2,0,0]=3 102 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [1,0,0,0,0,0|1,0,0]=2 103 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [1,0,0,0,0,0|1,0,0]=2 104 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [1,0,0,0,0,0|1,0,0]=2 105 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [1,0,0,0,0,0|1,0,0]=2 106 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [1,0,0,0,0,0|1,1,0]=3 107 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [1,0,0,0,0,0|2,0,0]=3 108 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [1,0,0,0,0,0|1,0,0]=2 109 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [1,0,0,0,0,0|0,0,0]=1 110 B9R0.47 NCC#CCC(N)C(=O)O MCULE-6095484409 [1,0,0,0,0,0|2,0,1]=4 111 B9R0.47 NCC#CCC(N)C(=O)O MCULE-8713805302 [1,0,0,0,0,0|2,0,1]=4 112 B9R0.47 NCC=CCC(N)C(=O)O MCULE-9924781011 [1,0,0,0,0,0|2,0,1]=4 113 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [1,0,0,0,0,0|3,0,0]=4 114 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [1,0,0,0,0,0|3,0,0]=4 115 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [1,0,0,0,0,0|2,0,0]=3 116 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [1,0,0,0,0,0|2,0,0]=3 117 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [1,0,0,0,0,0|2,0,0]=3 118 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [1,0,0,0,0,0|2,0,0]=3 119 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [1,0,0,0,0,0|2,0,0]=3 120 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [1,0,0,0,0,0|2,0,0]=3 121 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [1,0,0,0,0,0|2,0,0]=3 122 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [1,0,0,0,0,0|2,0,0]=3 123 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [1,0,0,0,0,0|2,0,0]=3 124 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [1,0,0,0,0,0|3,0,0]=4 125 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [1,0,0,0,0,0|3,0,0]=4 126 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [1,0,0,0,0,0|3,0,0]=4 127 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [1,0,0,0,0,0|3,0,0]=4 128 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [1,0,0,0,0,0|2,0,0]=3 129 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [1,0,0,0,0,0|2,0,0]=3 130 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [1,0,0,0,0,0|2,0,0]=3 131 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [1,0,0,0,0,0|2,0,0]=3 132 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [1,0,0,0,0,0|2,0,0]=3 133 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [1,0,0,0,0,0|2,0,0]=3 134 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [1,0,0,0,0,0|2,0,0]=3 135 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [1,0,0,0,0,0|2,0,0]=3 136 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [1,0,0,0,0,0|2,0,0]=3 137 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [1,0,0,0,0,0|2,0,0]=3 138 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [1,0,0,0,0,0|2,0,0]=3 139 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [1,0,0,0,0,0|2,0,1]=4 140 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [1,0,0,0,0,0|1,1,0]=3 141 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [1,0,0,0,0,0|1,1,0]=3 142 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [1,0,0,0,0,0|1,1,0]=3 143 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [1,0,0,0,0,0|1,1,0]=3 144 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [1,0,0,0,0,0|1,1,0]=3 145 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [1,0,0,0,0,0|1,1,0]=3 146 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [1,0,0,0,0,0|1,0,0]=2 147 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [1,0,0,0,0,0|1,0,0]=2 148 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [1,0,0,0,0,0|1,0,0]=2 149 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [1,0,0,0,0,0|1,0,0]=2 150 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [1,0,0,0,0,0|1,0,0]=2 151 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [1,0,0,0,0,0|1,0,0]=2 152 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [1,0,0,0,0,0|1,0,0]=2 153 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [1,0,0,0,0,0|1,1,0]=3 154 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [1,0,0,0,0,0|1,0,0]=2 155 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [1,0,0,0,0,0|1,0,0]=2 156 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [1,0,0,0,0,0|2,0,0]=3 157 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [1,0,0,0,0,0|2,0,0]=3 158 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [1,0,0,0,0,0|2,0,0]=3 159 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [1,0,0,0,0,0|2,0,0]=3 160 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [1,0,0,0,0,0|2,0,1]=4 161 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [1,0,0,0,0,0|0,0,0]=1 162 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [1,0,0,0,0,0|0,0,0]=1 163 B9R0.47 O=C(O)C(Br)CCCCBr MCULE-9265332965 [1,0,0,0,0,0|3,0,0]=4 164 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [1,0,0,0,0,0|2,0,0]=3 165 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [1,0,0,0,0,0|2,0,0]=3 166 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [1,0,0,0,0,0|2,0,0]=3 167 B9R0.47 [C@H](N)(CSCC#C)C(=O)O MCULE-3451460749 [1,0,0,0,0,0|1,0,1]=3 168 B9R0.47 [NH3+][C@@H](CSCCO)C(=O)[O-] MCULE-6668183133 [1,0,0,0,0,0|0,0,2]=3 169 B11R0.29 CC(C)CCSC[C@@H](N)C(=O)O MCULE-5853886859 [0,1,0,0,0,0|2,0,0]=3 170 B11R0.29 CC(C)CCSC[C@H](N)C(=O)O MCULE-3979333384 [0,1,0,0,0,0|2,0,0]=3 171 B11R0.29 CC(C)CCSC[C@H](N)C(=O)O MCULE-8382723630 [0,1,0,0,0,0|2,0,0]=3 172 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,1,0,0,0,0|2,0,1]=4 173 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-7425052021 [0,1,0,0,0,0|2,0,0]=3 174 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-8991194580 [0,1,0,0,0,0|2,0,0]=3 175 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,1,0,0,0,0|1,0,1]=3 176 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-3187192569 [0,1,0,0,0,0|3,0,0]=4 177 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7635800556 [0,1,0,0,0,0|3,0,0]=4 178 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7716159403 [0,1,0,0,0,0|3,0,0]=4 179 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-8309654000 [0,1,0,0,0,0|3,0,0]=4 180 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,1,0,0,0,0|2,0,1]=4 181 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,1,0,0,0,0|2,0,1]=4 182 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-1378566517 [0,1,0,0,0,0|2,0,0]=3 183 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-2158139364 [0,1,0,0,0,0|2,0,0]=3 184 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8839722581 [0,1,0,0,0,0|2,0,0]=3 185 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8903543883 [0,1,0,0,0,0|2,0,0]=3 186 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,1,0,0,0,0|1,0,1]=3 187 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,1,0,0,0,0|1,0,1]=3 188 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,1,0,0,0,0|2,0,1]=4 189 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,1,0,0,0,0|2,0,1]=4 190 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,1,0,0,0,0|1,0,1]=3 191 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-1162188913 [0,1,0,0,0,0|3,0,0]=4 192 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-3131667346 [0,1,0,0,0,0|3,0,0]=4 193 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-4888632865 [0,1,0,0,0,0|3,0,0]=4 194 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5391769158 [0,1,0,0,0,0|3,0,0]=4 195 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5861402789 [0,1,0,0,0,0|3,0,0]=4 196 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8081984411 [0,1,0,0,0,0|3,0,0]=4 197 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8137198974 [0,1,0,0,0,0|3,0,0]=4 198 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-1233544353 [0,1,0,0,0,0|3,0,0]=4 199 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-3790089576 [0,1,0,0,0,0|3,0,0]=4 200 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-8748986273 [0,1,0,0,0,0|3,0,0]=4 201 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-9105977293 [0,1,0,0,0,0|3,0,0]=4 202 B11R0.42 CCCCCCCC(N)C(=O)O MCULE-4518631723 [0,1,0,0,0,0|3,0,0]=4 203 B11R0.42 CCCCCCC[C@@H](N)C(=O)O MCULE-7367412741 [0,1,0,0,0,0|3,0,0]=4 204 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4025079053 [0,1,0,0,0,0|3,0,0]=4 205 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4061410149 [0,1,0,0,0,0|3,0,0]=4 206 B11R0.42 CCCCSCCC(N)C(=O)O MCULE-9943276345 [0,1,0,0,0,0|2,0,0]=3 207 B11R0.42 CCCCSCC[C@@H](N)C(=O)O MCULE-5947369888 [0,1,0,0,0,0|2,0,0]=3 208 B11R0.42 CCCCSCC[C@H](N)C(=O)O MCULE-6636715475 [0,1,0,0,0,0|2,0,0]=3 209 B11R0.76 CCCCCCC(NC)C(=O)O MCULE-7287509088 [0,1,0,0,0,0|3,0,0]=4 210 B11R0.125 CCCCCCC(C)(N)C(=O)O MCULE-1741748079 [0,1,0,0,0,0|3,0,0]=4 211 B11R0.141 [C@@H](N)(CSC(=O)NCC)C(=O)O MCULE-7164915455 [0,1,0,0,0,0|3,0,0]=4 212 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-1398170037 [0,1,0,0,0,0|3,0,0]=4 213 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-3295480977 [0,1,0,0,0,0|3,0,0]=4 214 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-5212970889 [0,1,0,0,0,0|3,0,0]=4 215 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-7851215638 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.35 CC(CC1CCCO1)C(=O)O MCULE-7589073159 [0,0,0,1,0,0|3,0,0]=4 217 B11R1.35 NC(CC1=CCCC1)C(=O)O MCULE-1666440268 [0,0,0,1,0,0|3,0,0]=4 218 B11R1.35 NC(CC1CCCC1)C(=O)O MCULE-2541402745 [0,0,0,1,0,0|3,0,0]=4 219 B11R1.35 NC(CC1CCCC1)C(=O)O MCULE-3851918025 [0,0,0,1,0,0|3,0,0]=4 220 B11R1.35 NC(CC1CCCO1)C(=O)O MCULE-3710409199 [0,0,0,1,0,0|2,0,0]=3 221 B11R1.35 N[C@@H](CC1=CCCC1)C(=O)O MCULE-1528714518 [0,0,0,1,0,0|3,0,0]=4 222 B11R1.35 N[C@@H](CC1=CCCC1)C(=O)O MCULE-5537876142 [0,0,0,1,0,0|3,0,0]=4 223 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O MCULE-1482788952 [0,0,0,1,0,0|3,0,0]=4 224 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O MCULE-8118301255 [0,0,0,1,0,0|3,0,0]=4 225 B11R1.35 N[C@H](CC1CCCC1)C(=O)O MCULE-2021631405 [0,0,0,1,0,0|3,0,0]=4 226 B11R1.35 N[C@H](CC1CCCC1)C(=O)O MCULE-6544324630 [0,0,0,1,0,0|3,0,0]=4 227 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-1846014205 [0,0,0,1,0,0|3,0,0]=4 228 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-2033801873 [0,0,0,1,0,0|3,0,0]=4 229 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-4412820367 [0,0,0,1,0,0|3,0,0]=4 230 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-6865831162 [0,0,0,1,0,0|3,0,0]=4 231 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-4787612648 [0,0,0,1,0,0|3,0,0]=4 232 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-7916436523 [0,0,0,1,0,0|3,0,0]=4 233 B11R1.36 NC(C(=O)O)C1CCCNC1 MCULE-5536275038 [0,0,0,1,0,0|3,0,0]=4 234 B11R1.36 NC(C(=O)O)C1CCCOC1 MCULE-6641388094 [0,0,0,1,0,0|2,1,0]=4 235 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-3443210425 [0,0,0,1,0,0|3,0,0]=4 236 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-4731070853 [0,0,0,1,0,0|3,0,0]=4 237 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6698336499 [0,0,0,1,0,0|3,0,0]=4 238 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6855404620 [0,0,0,1,0,0|3,0,0]=4 239 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1545974835 [0,0,0,1,0,0|3,0,0]=4 240 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1933038118 [0,0,0,1,0,0|3,0,0]=4 241 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-2164840222 [0,0,0,1,0,0|3,0,0]=4 242 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9858528992 [0,0,0,1,0,0|3,0,0]=4 243 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9914793144 [0,0,0,1,0,0|3,0,0]=4 244 B11R1.36 [C@@H]1(CCCNC1)C(N)C(=O)O MCULE-6149074850 [0,0,0,1,0,0|3,0,0]=4 245 B11R1.36 [C@@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7684614655 [0,0,0,1,0,0|3,0,0]=4 246 B11R1.36 [C@@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-3256486770 [0,0,0,1,0,0|3,0,0]=4 247 B11R1.36 [C@H](N)(C(=O)O)C1CCCCC1 MCULE-2416228483 [0,0,0,1,0,0|3,0,0]=4 248 B11R1.36 [C@H]1(CCCNC1)C(N)C(=O)O MCULE-3096261009 [0,0,0,1,0,0|3,0,0]=4 249 B11R1.36 [C@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7922011516 [0,0,0,1,0,0|3,0,0]=4 250 B11R1.36 [C@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-6518139620 [0,0,0,1,0,0|3,0,0]=4 251 B11R1.124 CCCC1NC(CS1)C(=O)O MCULE-9232736607 [0,0,0,1,0,0|2,0,0]=3 252 B11R1.266 CCC1CCCC(N1)C(=O)O MCULE-7713794654 [0,0,0,1,0,0|3,0,0]=4 253 B11R1.266 O=C(O)C1CCCC(C1)CO MCULE-5244716212 [0,0,0,1,0,0|3,0,0]=4 254 B11R1.333 N[C@@H](CSCC1CC1)C(=O)O MCULE-9207009799 [0,0,0,1,0,0|2,0,0]=3 255 B11R1.421 CC1(CNCC1CO)C(=O)O MCULE-1211332040 [0,0,0,1,0,0|3,0,0]=4 256 B11R1.497 O=C(O)C1CCCCC(C1)O MCULE-8775414897 [0,0,0,1,0,0|3,0,0]=4 257 B11R1.497 O=C1CCSCC(N1)C(=O)O MCULE-1237852498 [0,0,0,1,0,0|1,0,2]=4 258 B11R1.520 CC1CCCCC1(N)C(=O)O MCULE-7674467260 [0,0,0,1,0,0|3,0,0]=4 259 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2852082428 [0,0,0,1,0,0|3,0,0]=4 260 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2931630393 [0,0,0,1,0,0|3,0,0]=4 261 B11R1.737 NC1(CCCCCC1)C(=O)O MCULE-6498749639 [0,0,0,1,0,0|3,0,0]=4 262 B11R1.737 NC1(CCCNCC1)C(=O)O MCULE-7153988486 [0,0,0,1,0,0|3,0,0]=4 263 B11R0.2 CCC/C=C\CC(N)CC(=O)O MCULE-9494795833 [0,0,0,0,0,1|3,0,0]=4 264 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-6987665804 [0,0,0,0,0,1|3,0,0]=4 265 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-8299240038 [0,0,0,0,0,1|3,0,0]=4 266 B8R0.4 OCCCSCCCO MCULE-2025331376 [2,0,0,0,0,0|1,0,1]=4 267 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [2,0,0,0,0,0|2,0,0]=4 268 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [2,0,0,0,0,0|2,0,0]=4 269 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [2,0,0,0,0,0|2,0,0]=4 270 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [2,0,0,0,0,0|2,0,0]=4 271 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [2,0,0,0,0,0|1,1,0]=4 272 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [2,0,0,0,0,0|1,0,0]=3 273 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [2,0,0,0,0,0|2,0,0]=4 274 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [2,0,0,0,0,0|2,0,0]=4 275 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [2,0,0,0,0,0|1,1,0]=4 276 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [2,0,0,0,0,0|2,0,0]=4 277 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [2,0,0,0,0,0|2,0,0]=4 278 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [2,0,0,0,0,0|2,0,0]=4 279 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [2,0,0,0,0,0|2,0,0]=4 280 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [2,0,0,0,0,0|2,0,0]=4 281 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [2,0,0,0,0,0|1,1,0]=4 282 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [2,0,0,0,0,0|1,1,0]=4 283 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [2,0,0,0,0,0|1,0,0]=3 284 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [2,0,0,0,0,0|2,0,0]=4 285 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [2,0,0,0,0,0|2,0,0]=4 286 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [2,0,0,0,0,0|2,0,0]=4 287 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [2,0,0,0,0,0|1,0,0]=3 288 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [2,0,0,0,0,0|1,1,0]=4 289 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [2,0,0,0,0,0|1,0,0]=3 290 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [2,0,0,0,0,0|1,1,0]=4 291 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [2,0,0,0,0,0|0,1,0]=3 292 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [2,0,0,0,0,0|0,2,0]=4 293 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [2,0,0,0,0,0|0,0,0]=2 294 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [2,0,0,0,0,0|1,0,1]=4 295 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [2,0,0,0,0,0|1,0,1]=4 296 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [2,0,0,0,0,0|1,0,1]=4 297 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [2,0,0,0,0,0|1,0,1]=4 298 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [2,0,0,0,0,0|1,0,1]=4 299 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [2,0,0,0,0,0|1,0,1]=4 300 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [2,0,0,0,0,0|1,0,1]=4 301 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [2,0,0,0,0,0|1,0,1]=4 302 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [2,0,0,0,0,0|1,0,1]=4 303 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [2,0,0,0,0,0|2,0,0]=4 304 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [2,0,0,0,0,0|2,0,0]=4 305 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [2,0,0,0,0,0|1,0,1]=4 306 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [2,0,0,0,0,0|1,0,1]=4 307 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [2,0,0,0,0,0|1,0,1]=4 308 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [2,0,0,0,0,0|1,0,1]=4 309 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [2,0,0,0,0,0|1,0,1]=4 310 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [2,0,0,0,0,0|1,0,1]=4 311 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [2,0,0,0,0,0|1,0,1]=4 312 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [2,0,0,0,0,0|1,0,1]=4 313 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [2,0,0,0,0,0|1,0,1]=4 314 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [2,0,0,0,0,0|1,0,1]=4 315 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [2,0,0,0,0,0|1,0,1]=4 316 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [2,0,0,0,0,0|1,0,1]=4 317 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [2,0,0,0,0,0|1,0,1]=4 318 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [2,0,0,0,0,0|2,0,0]=4 319 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [2,0,0,0,0,0|1,1,0]=4 320 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [2,0,0,0,0,0|2,0,0]=4 321 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [2,0,0,0,0,0|2,0,0]=4 322 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [2,0,0,0,0,0|2,0,0]=4 323 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [2,0,0,0,0,0|2,0,0]=4 324 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [2,0,0,0,0,0|2,0,0]=4 325 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [2,0,0,0,0,0|1,0,0]=3 326 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [2,0,0,0,0,0|2,0,0]=4 327 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [2,0,0,0,0,0|2,0,0]=4 328 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [2,0,0,0,0,0|1,0,0]=3 329 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [2,0,0,0,0,0|1,0,0]=3 330 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [2,0,0,0,0,0|2,0,0]=4 331 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [2,0,0,0,0,0|2,0,0]=4 332 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [2,0,0,0,0,0|2,0,0]=4 333 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [2,0,0,0,0,0|2,0,0]=4 334 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [2,0,0,0,0,0|2,0,0]=4 335 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [2,0,0,0,0,0|2,0,0]=4 336 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [2,0,0,0,0,0|1,0,0]=3 337 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [2,0,0,0,0,0|1,0,0]=3 338 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [2,0,0,0,0,0|2,0,0]=4 339 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [2,0,0,0,0,0|2,0,0]=4 340 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [2,0,0,0,0,0|1,1,0]=4 341 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [2,0,0,0,0,0|0,1,0]=3 342 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [2,0,0,0,0,0|0,1,0]=3 343 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [2,0,0,0,0,0|0,1,0]=3 344 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [2,0,0,0,0,0|0,1,0]=3 345 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [2,0,0,0,0,0|0,0,0]=2 346 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [2,0,0,0,0,0|1,1,0]=4 347 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [2,0,0,0,0,0|1,1,0]=4 348 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [2,0,0,0,0,0|1,1,0]=4 349 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [2,0,0,0,0,0|2,0,0]=4 350 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [2,0,0,0,0,0|2,0,0]=4 351 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [2,0,0,0,0,0|2,0,0]=4 352 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [2,0,0,0,0,0|2,0,0]=4 353 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [2,0,0,0,0,0|1,0,0]=3 354 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [2,0,0,0,0,0|2,0,0]=4 355 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [2,0,0,0,0,0|1,0,0]=3 356 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [2,0,0,0,0,0|1,0,0]=3 357 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [2,0,0,0,0,0|1,0,1]=4 358 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [2,0,0,0,0,0|1,0,1]=4 359 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [2,0,0,0,0,0|2,0,0]=4 360 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [2,0,0,0,0,0|2,0,0]=4 361 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [2,0,0,0,0,0|2,0,0]=4 362 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [2,0,0,0,0,0|2,0,0]=4 363 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [2,0,0,0,0,0|1,0,0]=3 364 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [2,0,0,0,0,0|1,0,0]=3 365 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [2,0,0,0,0,0|1,0,0]=3 366 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [2,0,0,0,0,0|1,1,0]=4 367 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [2,0,0,0,0,0|1,1,0]=4 368 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [2,0,0,0,0,0|1,1,0]=4 369 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [2,0,0,0,0,0|0,0,0]=2 370 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [2,0,0,0,0,0|1,0,0]=3 371 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [2,0,0,0,0,0|1,0,0]=3 372 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [2,0,0,0,0,0|1,0,0]=3 373 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [2,0,0,0,0,0|1,0,0]=3 374 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [2,0,0,0,0,0|1,0,0]=3 375 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [2,0,0,0,0,0|1,0,0]=3 376 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [2,0,0,0,0,0|1,0,0]=3 377 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [2,0,0,0,0,0|1,0,0]=3 378 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [2,0,0,0,0,0|1,0,0]=3 379 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [2,0,0,0,0,0|1,0,0]=3 380 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [2,0,0,0,0,0|1,0,0]=3 381 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [2,0,0,0,0,0|1,0,0]=3 382 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [2,0,0,0,0,0|1,0,0]=3 383 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [2,0,0,0,0,0|1,0,0]=3 384 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [2,0,0,0,0,0|1,0,0]=3 385 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [2,0,0,0,0,0|1,0,0]=3 386 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [2,0,0,0,0,0|2,0,0]=4 387 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [2,0,0,0,0,0|2,0,0]=4 388 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [2,0,0,0,0,0|2,0,0]=4 389 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [2,0,0,0,0,0|2,0,0]=4 390 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [2,0,0,0,0,0|0,0,0]=2 391 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [2,0,0,0,0,0|0,0,0]=2 392 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [2,0,0,0,0,0|1,0,0]=3 393 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [2,0,0,0,0,0|1,0,1]=4 394 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [2,0,0,0,0,0|1,0,1]=4 395 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [2,0,0,0,0,0|2,0,0]=4 396 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [1,1,0,0,0,0|2,0,0]=4 397 B10R0.4 COCCCOCCC(=O)O MCULE-5178930362 [1,1,0,0,0,0|1,1,0]=4 398 B10R0.4 NCCSSCCNC(=O)O MCULE-5576549611 [1,1,0,0,0,0|1,0,0]=3 399 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [1,1,0,0,0,0|2,0,0]=4 400 B10R0.4 O=C(O)COCCOCCO MCULE-1507756107 [1,1,0,0,0,0|1,1,0]=4 401 B10R0.74 COC(=O)CCCCCCO MCULE-1234987175 [1,1,0,0,0,0|2,0,0]=4 402 B10R0.74 COC(=O)CCNCCCO MCULE-4138256366 [1,1,0,0,0,0|2,0,0]=4 403 B10R0.74 COC(=O)CCOCCCO MCULE-5017264772 [1,1,0,0,0,0|1,1,0]=4 404 B10R0.78 O=C(O)CCC(=O)NCCO MCULE-4471208897 [1,1,0,0,0,0|2,0,0]=4 405 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [1,1,0,0,0,0|2,0,0]=4 406 B10R0.97 O=C(O)CCSCCC(=O)O MCULE-1300073378 [1,1,0,0,0,0|1,0,1]=4 407 B10R0.26 CCCC(C)CC(N)C(=O)O MCULE-8848436054 [1,1,0,0,0,0|2,0,0]=4 408 B10R0.26 CCCS(=O)CC(N)C(=O)O MCULE-8745806923 [1,1,0,0,0,0|1,0,1]=4 409 B10R0.26 CCCS(=O)C[C@H](N)C(=O)O MCULE-6968745632 [1,1,0,0,0,0|1,0,1]=4 410 B10R0.26 CCOC(=O)CC(N)C(=O)O MCULE-1325477968 [1,1,0,0,0,0|1,1,0]=4 411 B10R0.42 C[C@@](N)(CCCCN)C(=O)O MCULE-5286287442 [1,1,0,0,0,0|2,0,0]=4 412 B10R0.82 NC(CCP(=O)CO)C(=O)O MCULE-2901685887 [1,1,0,0,0,0|2,0,0]=4 413 B10R0.82 NCC(F)CCC(N)C(=O)O MCULE-5359725270 [1,1,0,0,0,0|2,0,0]=4 414 B10R0.82 NCC(F)CCC(N)C(=O)O MCULE-7837362209 [1,1,0,0,0,0|2,0,0]=4 415 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6064290143 [1,1,0,0,0,0|2,0,0]=4 416 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6546706417 [1,1,0,0,0,0|2,0,0]=4 417 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-4925093695 [1,1,0,0,0,0|2,0,0]=4 418 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-7103430731 [1,1,0,0,0,0|2,0,0]=4 419 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-1390178110 [1,1,0,0,0,0|2,0,0]=4 420 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-7788161688 [1,1,0,0,0,0|2,0,0]=4 421 B10R0.86 CNC(CCCCN)C(=O)O MCULE-3351204873 [1,1,0,0,0,0|2,0,0]=4 422 B10R0.86 CNC(CCCCN)C(=O)O MCULE-6279634717 [1,1,0,0,0,0|2,0,0]=4 423 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-1289342070 [1,1,0,0,0,0|2,0,0]=4 424 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-4082358865 [1,1,0,0,0,0|2,0,0]=4 425 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-5920807456 [1,1,0,0,0,0|2,0,0]=4 426 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-9072694055 [1,1,0,0,0,0|2,0,0]=4 427 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-5699505174 [1,1,0,0,0,0|2,0,0]=4 428 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-8151358815 [1,1,0,0,0,0|2,0,0]=4 429 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-3341158972 [1,1,0,0,0,0|2,0,0]=4 430 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-6452147303 [1,1,0,0,0,0|2,0,0]=4 431 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [1,1,0,0,0,0|1,0,1]=4 432 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [1,1,0,0,0,0|1,0,1]=4 433 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [1,1,0,0,0,0|1,0,1]=4 434 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [1,1,0,0,0,0|0,0,1]=3 435 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [1,1,0,0,0,0|1,0,1]=4 436 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [1,1,0,0,0,0|1,0,1]=4 437 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [1,1,0,0,0,0|0,0,1]=3 438 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [1,1,0,0,0,0|0,0,1]=3 439 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [1,1,0,0,0,0|1,0,1]=4 440 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [1,1,0,0,0,0|1,0,1]=4 441 B12R0.627 CC(CSCC(N)C(=O)O)C(=O)O MCULE-8019160796 [0,2,0,0,0,0|1,0,1]=4 442 B12R0.627 CC(CSC[C@H](N)C(=O)O)C(=O)O MCULE-1141812385 [0,2,0,0,0,0|1,0,1]=4 443 B12R0.627 CC(CSC[C@H](N)C(=O)O)C(=O)O MCULE-8490230025 [0,2,0,0,0,0|1,0,1]=4 444 B12R0.627 NC(CSCC(N)C(=O)O)C(=O)O MCULE-7420458378 [0,2,0,0,0,0|1,0,1]=4 445 B12R0.627 N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O MCULE-1932719723 [0,2,0,0,0,0|1,0,1]=4 446 B12R0.627 N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O MCULE-3341203729 [0,2,0,0,0,0|1,0,1]=4 447 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MCULE-7949829956 [0,2,0,0,0,0|2,0,0]=4 448 B12R0.42 NC(CSCCCC(=O)O)C(=O)O MCULE-6552348472 [0,2,0,0,0,0|1,0,0]=3 449 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-2069821066 [0,2,0,0,0,0|2,0,0]=4 450 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-3495032122 [0,2,0,0,0,0|2,0,0]=4 451 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-1221416102 [0,2,0,0,0,0|1,0,0]=3 452 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-2038684739 [0,2,0,0,0,0|1,0,0]=3 453 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-2692259414 [0,2,0,0,0,0|2,0,0]=4 454 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-6806526657 [0,2,0,0,0,0|2,0,0]=4 455 B12R0.48 CCCNC(=O)SC[C@H](N)C(=O)O MCULE-9528991248 [0,2,0,0,0,0|2,0,0]=4 456 B12R0.432 CC(C)(CCO)SC[C@H](N)C(=O)O MCULE-2395794315 [0,2,0,0,0,0|1,0,0]=3 457 B12R0.432 CC(C)(CCO)SC[C@H](N)C(=O)O MCULE-5967163164 [0,2,0,0,0,0|1,0,0]=3 458 B10R1.18 O=C(O)CC1CCCCO1 MCULE-2711682647 [1,0,0,1,0,0|2,0,0]=4 459 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3058504133 [1,0,0,1,0,0|2,0,0]=4 460 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3387061328 [1,0,0,1,0,0|2,0,0]=4 461 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4327756750 [1,0,0,1,0,0|2,0,0]=4 462 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4883251317 [1,0,0,1,0,0|2,0,0]=4 463 B10R1.18 O=C(O)CC1COCCO1 MCULE-8632741098 [1,0,0,1,0,0|1,1,0]=4 464 B10R1.18 O=C(O)CC1CSCCS1 MCULE-4793456872 [1,0,0,1,0,0|1,1,0]=4 465 B10R1.18 O=C(O)CC1OCCCO1 MCULE-1471723881 [1,0,0,1,0,0|1,1,0]=4 466 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4498530905 [1,0,0,1,0,0|2,0,0]=4 467 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4549445854 [1,0,0,1,0,0|2,0,0]=4 468 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-5055136882 [1,0,0,1,0,0|2,0,0]=4 469 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-7244079860 [1,0,0,1,0,0|2,0,0]=4 470 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-1832902178 [1,0,0,1,0,0|2,0,0]=4 471 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5015018730 [1,0,0,1,0,0|2,0,0]=4 472 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5838446318 [1,0,0,1,0,0|2,0,0]=4 473 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-9119322865 [1,0,0,1,0,0|2,0,0]=4 474 B10R1.39 O=C(O)C1CNCC1CO MCULE-4689035983 [1,0,0,1,0,0|2,0,0]=4 475 B10R1.61 O=C(O)C1CCCCC1O MCULE-4502285714 [1,0,0,1,0,0|2,0,0]=4 476 B10R1.66 O=C(O)CCC1CCCO1 MCULE-4111498968 [1,0,0,1,0,0|2,0,0]=4 477 B10R1.66 O=C(O)CCC1OCCO1 MCULE-1077920259 [1,0,0,1,0,0|1,1,0]=4 478 B10R1.66 O=C(O)CCN1CCCO1 MCULE-4658280001 [1,0,0,1,0,0|2,0,0]=4 479 B10R1.66 O=C(O)CCN1CCCO1 MCULE-5549624995 [1,0,0,1,0,0|2,0,0]=4 480 B10R1.66 O=C(O)CC[C@@H]1CCCO1 MCULE-8942407071 [1,0,0,1,0,0|2,0,0]=4 481 B10R1.66 O=C(O)CC[C@H]1CCCO1 MCULE-8877470669 [1,0,0,1,0,0|2,0,0]=4 482 B10R1.126 O=C(O)CCSCC1CC1 MCULE-6245691771 [1,0,0,1,0,0|2,0,0]=4 483 B10R1.348 O=C(O)C1CNCCCO1 MCULE-2282415374 [1,0,0,1,0,0|2,0,0]=4 484 B10R1.348 O=C(O)C1CNCCCO1 MCULE-3064687044 [1,0,0,1,0,0|2,0,0]=4 485 B10R1.23 CC(C(=O)O)C1CCCO1 MCULE-7845267101 [1,0,0,1,0,0|2,0,0]=4 486 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-7146175523 [1,0,0,1,0,0|2,0,0]=4 487 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-7746486136 [1,0,0,1,0,0|2,0,0]=4 488 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-9888348666 [1,0,0,1,0,0|2,0,0]=4 489 B10R1.23 NC(C(=O)O)C1CCCO1 MCULE-3670924700 [1,0,0,1,0,0|1,0,0]=3 490 B10R1.23 NC(C(=O)O)C1CCNC1 MCULE-1642984994 [1,0,0,1,0,0|2,0,0]=4 491 B10R1.23 NC(C(=O)O)C1CCNC1 MCULE-8012924580 [1,0,0,1,0,0|2,0,0]=4 492 B10R1.23 NC(C(=O)O)C1CCOC1 MCULE-9063647673 [1,0,0,1,0,0|1,1,0]=4 493 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 MCULE-2078695461 [1,0,0,1,0,0|2,0,0]=4 494 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 MCULE-7548517913 [1,0,0,1,0,0|2,0,0]=4 495 B10R1.23 N[C@H](C(=O)O)C1CCCC1 MCULE-1391706498 [1,0,0,1,0,0|2,0,0]=4 496 B10R1.23 N[C@H](C(=O)O)C1CCCC1 MCULE-5447481000 [1,0,0,1,0,0|2,0,0]=4 497 B10R1.31 C1(NC(CS1)C(=O)O)CC MCULE-6124427567 [1,0,0,1,0,0|1,0,0]=3 498 B10R1.31 CCC1CCC(N1)C(=O)O MCULE-9089135115 [1,0,0,1,0,0|2,0,0]=4 499 B10R1.31 CCC1CCC(N1)C(=O)O MCULE-9951781675 [1,0,0,1,0,0|2,0,0]=4 500 B10R1.31 CCC1NC(CS1)C(=O)O MCULE-2037916598 [1,0,0,1,0,0|1,0,0]=3 501 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-2752928027 [1,0,0,1,0,0|2,0,0]=4 502 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7361502591 [1,0,0,1,0,0|2,0,0]=4 503 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7906995060 [1,0,0,1,0,0|2,0,0]=4 504 B10R1.113 CC1COCC(N1)C(=O)O MCULE-6739051094 [1,0,0,1,0,0|1,1,0]=4 505 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6827473516 [1,0,0,1,0,0|2,0,0]=4 506 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6916060172 [1,0,0,1,0,0|2,0,0]=4 507 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [1,0,0,1,0,0|2,0,0]=4 508 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-1307689360 [1,0,0,1,0,0|2,0,0]=4 509 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-6671293935 [1,0,0,1,0,0|2,0,0]=4 510 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [1,0,0,1,0,0|2,0,0]=4 511 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [1,0,0,1,0,0|2,0,0]=4 512 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [1,0,0,1,0,0|2,0,0]=4 513 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [1,0,0,1,0,0|2,0,0]=4 514 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [1,0,0,1,0,0|2,0,0]=4 515 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [1,0,0,1,0,0|2,0,0]=4 516 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [1,0,0,1,0,0|2,0,0]=4 517 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [1,0,0,1,0,0|2,0,0]=4 518 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [1,0,0,1,0,0|0,0,2]=4 519 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [1,0,0,1,0,0|0,0,2]=4 520 B10R1.113 [C@@H]1(CCCC(N1)C)C(=O)O MCULE-7930307305 [1,0,0,1,0,0|2,0,0]=4 521 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-3218968630 [1,0,0,1,0,0|2,0,0]=4 522 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-4504908507 [1,0,0,1,0,0|2,0,0]=4 523 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-9377321223 [1,0,0,1,0,0|2,0,0]=4 524 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-1216111783 [1,0,0,1,0,0|2,0,0]=4 525 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-5390134859 [1,0,0,1,0,0|2,0,0]=4 526 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-5493935992 [1,0,0,1,0,0|2,0,0]=4 527 B10R1.204 N[C@H](CC1CCC1)C(=O)O MCULE-3225528393 [1,0,0,1,0,0|2,0,0]=4 528 B10R1.204 N[C@H](CC1CCC1)C(=O)O MCULE-7473428983 [1,0,0,1,0,0|2,0,0]=4 529 B10R1.363 CC1(CCCCO1)C(=O)O MCULE-8167039984 [1,0,0,1,0,0|2,0,0]=4 530 B10R1.363 CC1(CCSCC1)C(=O)O MCULE-4494370785 [1,0,0,1,0,0|2,0,0]=4 531 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-6864976931 [1,0,0,1,0,0|2,0,0]=4 532 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-7815848744 [1,0,0,1,0,0|2,0,0]=4 533 B10R1.363 CC1(COCCO1)C(=O)O MCULE-5074851185 [1,0,0,1,0,0|1,1,0]=4 534 B10R1.363 C[C@@]1(CCCCO1)C(=O)O MCULE-8351337180 [1,0,0,1,0,0|2,0,0]=4 535 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-1520204390 [1,0,0,1,0,0|2,0,0]=4 536 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-5357080399 [1,0,0,1,0,0|2,0,0]=4 537 B10R1.363 NC(=O)C1(CCSCC1)N MCULE-4385733187 [1,0,0,1,0,0|2,0,0]=4 538 B10R1.363 NC1(CCCCC1)C(=O)O MCULE-9219404299 [1,0,0,1,0,0|2,0,0]=4 539 B10R1.363 NC1(CCCOC1)C(=O)O MCULE-7592747043 [1,0,0,1,0,0|1,1,0]=4 540 B10R1.363 NC1(CCCSC1)C(=O)O MCULE-5875012341 [1,0,0,1,0,0|1,0,0]=3 541 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-2468722313 [1,0,0,1,0,0|2,0,0]=4 542 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-4525710147 [1,0,0,1,0,0|2,0,0]=4 543 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-5856930946 [1,0,0,1,0,0|2,0,0]=4 544 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-8458518802 [1,0,0,1,0,0|2,0,0]=4 545 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-8720926076 [1,0,0,1,0,0|1,1,0]=4 546 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-9032013861 [1,0,0,1,0,0|1,1,0]=4 547 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-3400288648 [1,0,0,1,0,0|1,0,0]=3 548 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-7826194478 [1,0,0,1,0,0|1,0,0]=3 549 B10R1.363 O=C(O)C1(CCSCC1)O MCULE-8230713014 [1,0,0,1,0,0|2,0,0]=4 550 B12R1.389 CC(C)CC1NC(CS1)C(=O)O MCULE-1134810155 [0,1,0,1,0,0|2,0,0]=4 551 B12R1.264 NC(CCC1OCCO1)C(=O)O MCULE-3069534908 [0,1,0,1,0,0|1,1,0]=4 552 B12R1.337 CCCCC1NC(CS1)C(=O)O MCULE-3670233740 [0,1,0,1,0,0|2,0,0]=4 553 B12R1.337 CSCCC1NC(CS1)C(=O)O MCULE-3846304676 [0,1,0,1,0,0|1,1,0]=4 554 B12R1.359 CCC(C)C1NC(CS1)C(=O)O MCULE-1447881680 [0,1,0,1,0,0|2,0,0]=4 555 B12R1.108 COC(=O)C(N)CC1CCCO1 MCULE-1142223040 [0,1,0,1,0,0|2,0,0]=4