0 B11R0.248 NCCCC(N)(C(=O)O)C(F)F MCULE-9101327185 [0,0,0,0,0,0|0,0,0]=0 1 B11R0.248 NCCCC(N)(C(=O)O)C(F)F MCULE-9516392560 [0,0,0,0,0,0|0,0,0]=0 2 B11R0.248 NCCC[C@](N)(C(=O)O)C(F)F MCULE-1536663576 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.248 NCCC[C@](N)(C(=O)O)C(F)F MCULE-1982088699 [0,0,0,0,0,0|0,0,0]=0 4 B11R0.248 NCCC[C@](N)(C(=O)O)C(F)F MCULE-2047860640 [0,0,0,0,0,0|0,0,0]=0 5 B11R0.248 NCCC[C@](N)(C(=O)O)C(F)F MCULE-8856459600 [0,0,0,0,0,0|0,0,0]=0 6 B10R0.17 CCCCC(C(=O)O)C(C)C MCULE-9724362832 [1,0,0,0,0,0|3,0,0]=4 7 B10R0.17 NCCCC(C(=O)O)C(=O)O MCULE-4043949471 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.133 CCCC[C@](N)(CC)C(=O)O MCULE-5511664944 [1,0,0,0,0,0|2,0,0]=3 9 B10R0.133 CCCC[C@](N)(CC)C(=O)O MCULE-7828282573 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.3098 O=C(O)C1(CCCCC1)C(F)F MCULE-5111818693 [0,0,0,1,0,0|2,0,0]=3 11 B12R1.3098 O=C(O)C1(CCOCC1)C(F)F MCULE-3903772181 [0,0,0,1,0,0|3,0,0]=4 12 B12R1.3099 O=C(O)C1(CCCCC1(F)F)F MCULE-8610121190 [0,0,0,1,0,0|2,0,0]=3 13 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [2,0,0,0,0,0|2,0,0]=4 14 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [2,0,0,0,0,0|2,0,0]=4 15 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [2,0,0,0,0,0|2,0,0]=4 16 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [2,0,0,0,0,0|2,0,0]=4 17 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [2,0,0,0,0,0|2,0,0]=4 18 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [2,0,0,0,0,0|2,0,0]=4 19 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [2,0,0,0,0,0|2,0,0]=4 20 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [2,0,0,0,0,0|2,0,0]=4 21 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [2,0,0,0,0,0|2,0,0]=4 22 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [2,0,0,0,0,0|2,0,0]=4 23 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [2,0,0,0,0,0|2,0,0]=4 25 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [2,0,0,0,0,0|2,0,0]=4 26 B9R0.33 CC(C)C(CCN)C(=O)O MCULE-5177043751 [2,0,0,0,0,0|2,0,0]=4 27 B9R0.33 CC(C)C(CCN)C(=O)O MCULE-7075545898 [2,0,0,0,0,0|2,0,0]=4 28 B9R0.33 CCCC(C(=O)O)C(C)C MCULE-9298455866 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.51 C=CCC[C@@](C)(N)C(=O)O MCULE-8852684173 [2,0,0,0,0,0|1,0,1]=4 30 B9R0.51 C=CCC[C@](C)(N)C(=O)O MCULE-1635647275 [2,0,0,0,0,0|1,0,1]=4 31 B9R0.51 CC(C)(CCCO)C(=O)O MCULE-8432032551 [2,0,0,0,0,0|2,0,0]=4 32 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-3848172930 [2,0,0,0,0,0|0,0,0]=2 33 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-8569683447 [2,0,0,0,0,0|0,0,0]=2 34 B9R0.51 CCCCC(C)(C)C(=O)O MCULE-6533628152 [2,0,0,0,0,0|2,0,0]=4 35 B9R0.51 CCCCC(C)(F)C(=O)O MCULE-3264455202 [2,0,0,0,0,0|2,0,0]=4 36 B9R0.51 CCCCC(C)(O)C(=O)O MCULE-4036610380 [2,0,0,0,0,0|2,0,0]=4 37 B9R0.51 CCCCC(F)(F)C(=O)O MCULE-3383573238 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.51 COCCC(C)(N)C(=O)O MCULE-5241047385 [2,0,0,0,0,0|2,0,0]=4 39 B9R0.51 NCCCP(=O)(O)C(F)F MCULE-9305411597 [2,0,0,0,0,0|2,0,0]=4 40 B9R0.51 NCCCS(=O)(=O)C(F)F MCULE-1871107509 [2,0,0,0,0,0|2,0,0]=4 41 B9R0.51 NCCCS(=O)(=O)C(F)F MCULE-4265148568 [2,0,0,0,0,0|2,0,0]=4 42 B9R0.74 CCC(N)(COC)C(=O)O MCULE-1112258412 [2,0,0,0,0,0|2,0,0]=4 43 B9R0.74 CCC(N)(COC)C(=O)O MCULE-3146530110 [2,0,0,0,0,0|2,0,0]=4 44 B9R0.74 CCCC(C)(CC)C(=O)O MCULE-2557760328 [2,0,0,0,0,0|2,0,0]=4 45 B9R0.74 CCCC(N)(CC)C(=O)O MCULE-2758260935 [2,0,0,0,0,0|1,0,0]=3 46 B9R0.74 CCCC(N)(CC)C(=O)O MCULE-6297600490 [2,0,0,0,0,0|1,0,0]=3 47 B11R0.344 C=CC[C@](N)(C(=O)O)C(F)(F)F MCULE-6170049035 [1,1,0,0,0,0|0,0,2]=4 48 B11R0.344 CCCC(N)(C(=O)O)C(F)(F)F MCULE-8765742295 [1,1,0,0,0,0|0,0,0]=2 49 B11R0.344 CCC[C@](N)(C(=O)O)C(F)(F)F MCULE-3187393914 [1,1,0,0,0,0|0,0,0]=2 50 B11R1.166 C[C@@H]1C[C@@H](CC[C@@H]1C(=O)O)N MCULE-1369859957 [1,0,0,1,0,0|2,0,0]=4 51 B11R1.166 C[C@@H]1C[C@@H](CC[C@@H]1C(=O)O)N MCULE-8513246239 [1,0,0,1,0,0|2,0,0]=4 52 B11R1.177 O=C(O)C1CCCCC1(F)F MCULE-7249376708 [1,0,0,1,0,0|1,0,0]=3 53 B11R1.177 O=C(O)C1CCNCC1(F)F MCULE-1987617135 [1,0,0,1,0,0|2,0,0]=4 54 B11R1.177 O=C(O)C1CCNCC1(F)F MCULE-2892154857 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.177 O=C(O)C1CNCCC1(F)F MCULE-1684594912 [1,0,0,1,0,0|2,0,0]=4 56 B11R1.177 O=C(O)C1CNCCC1(F)F MCULE-4182492143 [1,0,0,1,0,0|2,0,0]=4 57 B11R1.177 O=C(O)C1COCCC1(F)F MCULE-7019190515 [1,0,0,1,0,0|2,0,0]=4 58 B11R1.177 O=C(O)[C@H]1CCNCC1(F)F MCULE-2016837162 [1,0,0,1,0,0|2,0,0]=4 59 B11R1.177 O=C(O)[C@H]1CCNCC1(F)F MCULE-5938396977 [1,0,0,1,0,0|2,0,0]=4 60 B11R1.1385 CC(C)[C@@]1(CCCN1)C(=O)O MCULE-1284531037 [1,0,0,1,0,0|2,0,0]=4 61 B11R1.1385 O=C(O)C1(CCCC1)C(F)F MCULE-4072487233 [1,0,0,1,0,0|1,0,0]=3 62 B11R1.1385 O=C(O)C1(CCNC1)C(F)F MCULE-6422333335 [1,0,0,1,0,0|2,0,0]=4 63 B11R1.1385 O=C(O)C1(CCNC1)C(F)F MCULE-7016769713 [1,0,0,1,0,0|2,0,0]=4 64 B11R1.220 CC1CCC(CC1)(N)C(=O)O MCULE-7735898604 [1,0,0,1,0,0|2,0,0]=4 65 B11R1.220 NC1CCC(CC1)(O)C(=O)O MCULE-8309786604 [1,0,0,1,0,0|2,0,0]=4 66 B11R1.520 CC1CCCCC1(N)C(=O)O MCULE-7674467260 [1,0,0,1,0,0|2,0,0]=4 67 B11R1.737 NC1(CCCCCC1)C(=O)O MCULE-6498749639 [1,0,0,1,0,0|2,0,0]=4 68 B11R1.737 NC1(CCCNCC1)C(=O)O MCULE-7153988486 [1,0,0,1,0,0|1,0,0]=3 69 B11R1.1074 CCC1(CCCCN1)C(=O)O MCULE-3363810836 [1,0,0,1,0,0|2,0,0]=4 70 B11R1.1074 CCC1(CCCCN1)C(=O)O MCULE-3511835420 [1,0,0,1,0,0|2,0,0]=4 71 B11R1.1074 CCC1(CCCNC1)C(=O)O MCULE-4082709895 [1,0,0,1,0,0|2,0,0]=4 72 B11R1.1074 CCC1(CCCNC1)C(=O)O MCULE-4330535403 [1,0,0,1,0,0|2,0,0]=4 73 B11R1.581 O=C(O)C1(CC(C1)O)C(F)F MCULE-4141196308 [1,0,0,1,0,0|2,0,0]=4 74 B11R1.1386 CC1(CCCC1(F)F)C(=O)O MCULE-7245083168 [1,0,0,1,0,0|1,0,0]=3 75 B11R1.1386 CC1(CCCC1(N)C(=O)O)C MCULE-4148753420 [1,0,0,1,0,0|2,0,0]=4 76 B13R1.3540 NC(=O)C1(CCCNC1=O)C(F)F MCULE-5599473672 [0,1,0,1,0,0|2,0,0]=4 77 B13R1.8658 O=C(O)C1(CCCCC1)C(F)(F)F MCULE-1643755186 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.13662 O=C(O)C12OCCCC1C2(F)F MCULE-9069895247 [0,0,0,2,0,0|2,0,0]=4