0 B12R0.42 CC(=O)C(C)CCCCCC(=O)O MCULE-9391199319 [0,0,0,0,0,0|2,0,1]=3 1 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-8560922815 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-9405826819 [0,0,0,0,0,0|3,0,1]=4 3 B12R0.42 CC(C)C(=O)CCCCCC(=O)O MCULE-3942492343 [0,0,0,0,0,0|2,0,1]=3 4 B12R0.42 C[C@H](N)C(=O)CCCCCC(=O)O MCULE-3314826257 [0,0,0,0,0,0|1,0,1]=2 5 B12R0.42 C[C@H](N)C(=O)CCCCCC(=O)O MCULE-9579447737 [0,0,0,0,0,0|1,0,1]=2 6 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MCULE-7949829956 [0,0,0,0,0,0|2,0,1]=3 7 B12R0.42 NC(CSCCCC(=O)O)C(=O)O MCULE-6552348472 [0,0,0,0,0,0|3,0,1]=4 8 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-2069821066 [0,0,0,0,0,0|2,0,1]=3 9 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-3495032122 [0,0,0,0,0,0|2,0,1]=3 10 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-1221416102 [0,0,0,0,0,0|3,0,1]=4 11 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-2038684739 [0,0,0,0,0,0|3,0,1]=4 12 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-2692259414 [0,0,0,0,0,0|2,0,1]=3 13 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-6806526657 [0,0,0,0,0,0|2,0,1]=3 14 B11R0.30 C=C(Br)CCCCCCC(=O)O MCULE-6895852201 [1,0,0,0,0,0|1,0,2]=4 15 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [1,0,0,0,0,0|1,0,1]=3 16 B11R0.30 C=C(Cl)CCCCCCC(=O)O MCULE-6082663554 [1,0,0,0,0,0|1,0,2]=4 17 B11R0.30 CC(=O)CCCCCCC(=O)C MCULE-3854362746 [1,0,0,0,0,0|2,0,1]=4 18 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [1,0,0,0,0,0|1,0,1]=3 19 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [1,0,0,0,0,0|2,0,1]=4 20 B11R0.30 CC(=O)SCCCCCC(=O)O MCULE-7058924302 [1,0,0,0,0,0|2,0,1]=4 21 B11R0.30 CC(C)/C=C\CCCCC(=O)O MCULE-3685314454 [1,0,0,0,0,0|1,0,2]=4 22 B11R0.30 CC(C)C=CCCCCC(=O)O MCULE-9153738942 [1,0,0,0,0,0|1,0,2]=4 23 B11R0.30 CC(C)CCCCCCC(=O)O MCULE-7144406547 [1,0,0,0,0,0|1,0,0]=2 24 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [1,0,0,0,0,0|1,0,0]=2 25 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5163840640 [1,0,0,0,0,0|2,0,0]=3 26 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5248234243 [1,0,0,0,0,0|2,0,0]=3 27 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-3719990664 [1,0,0,0,0,0|2,0,1]=4 28 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-6681139380 [1,0,0,0,0,0|2,0,1]=4 29 B11R0.30 NC(=O)NCCCCCC(=O)O MCULE-5723327422 [1,0,0,0,0,0|2,0,1]=4 30 B11R0.30 O=C(O)CCCCCCC(=O)O MCULE-1380155289 [1,0,0,0,0,0|2,0,1]=4 31 B11R0.111 CCC(=O)CCCCCC(=O)O MCULE-8603570043 [1,0,0,0,0,0|1,0,1]=3 32 B11R0.111 CCC(C)CCCCCC(=O)O MCULE-5195758876 [1,0,0,0,0,0|1,0,0]=2 33 B11R0.111 COC(=O)CCCCCC(=O)O MCULE-7307151830 [1,0,0,0,0,0|2,0,1]=4 34 B11R0.111 O=C(O)CCCSCC(O)CO MCULE-6771933903 [1,0,0,0,0,0|3,0,0]=4 35 B13R0.50 CC(C)[C@H](N)C(=O)OCCCC(=O)O MCULE-5482901669 [0,1,0,0,0,0|2,0,1]=4 36 B13R0.353 NC(CCCCC(N)C(=O)O)C(=O)O MCULE-6205813007 [0,1,0,0,0,0|2,0,1]=4 37 B13R0.1399 CC(C)(C)C(=O)CCCCCC(=O)O MCULE-9929666632 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.350 CC(N)C(=O)N1CCCC1C(=O)O MCULE-3320527900 [0,0,0,1,0,0|2,0,1]=4 39 B13R1.350 C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)O MCULE-1260491310 [0,0,0,1,0,0|2,0,1]=4 40 B13R1.350 C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)O MCULE-1932415487 [0,0,0,1,0,0|2,0,1]=4 41 B13R1.350 C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)O MCULE-3635102042 [0,0,0,1,0,0|2,0,1]=4 42 B13R1.350 C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)O MCULE-3869707406 [0,0,0,1,0,0|2,0,1]=4 43 B13R1.350 C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O MCULE-4588457895 [0,0,0,1,0,0|2,0,1]=4 44 B13R1.350 C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O MCULE-9071577504 [0,0,0,1,0,0|2,0,1]=4 45 B13R1.587 CC(C)C1CC(CCO1)CC(=O)O MCULE-6839175145 [0,0,0,1,0,0|3,0,0]=4 46 B13R1.587 CC(C)N1CCCC(C1)CC(=O)O MCULE-8598520570 [0,0,0,1,0,0|3,0,0]=4 47 B13R1.1080 O=C(O)CCCCCC(=O)C1CC1 MCULE-9232306834 [0,0,0,1,0,0|2,0,1]=4 48 B11R0.29 CC(=O)C(C)CCCCC(=O)O MCULE-7016988868 [0,0,0,0,1,0|2,0,1]=4 49 B11R0.29 CC(C)C(=O)CCCCC(=O)O MCULE-8172997568 [0,0,0,0,1,0|2,0,1]=4 50 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,0,0,0,1,0|2,0,1]=4 51 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,0,0,0,1,0|2,0,1]=4 52 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,0,0,0,1,0|2,0,1]=4 53 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,0,0,0,1,0|2,0,1]=4 54 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,0,0,0,1,0|2,0,1]=4 55 B13R0.180 CC(C)C(=O)CCCCCCC(=O)O MCULE-7886858957 [0,0,0,0,0,1|2,0,1]=4 56 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-2990158071 [0,0,0,0,0,1|2,0,1]=4 57 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-8044893771 [0,0,0,0,0,1|2,0,1]=4 58 B10R0.4 C#CCCCCCCC(=O)O MCULE-9844370313 [2,0,0,0,0,0|0,0,2]=4 59 B10R0.4 C(=CC(=O)O)CCCCCC MCULE-5063564829 [2,0,0,0,0,0|0,0,2]=4 60 B10R0.4 C=C(Br)CCCCCCCC MCULE-6632348327 [2,0,0,0,0,0|2,0,0]=4 61 B10R0.4 C=C(C)CCCCCCCC MCULE-2486247417 [2,0,0,0,0,0|2,0,0]=4 62 B10R0.4 C=C(Cl)CCCCCCCC MCULE-5745154351 [2,0,0,0,0,0|2,0,0]=4 63 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [2,0,0,0,0,0|0,0,2]=4 64 B10R0.4 C=CCCCCCCC(C)O MCULE-8946172514 [2,0,0,0,0,0|2,0,0]=4 65 B10R0.4 C=CCCCCCC[C@@H](C)O MCULE-8592463039 [2,0,0,0,0,0|2,0,0]=4 66 B10R0.4 C=CCCCCCC[C@@H](C)O MCULE-9140993826 [2,0,0,0,0,0|2,0,0]=4 67 B10R0.4 C=CCCCCCC[C@H](C)O MCULE-8109598857 [2,0,0,0,0,0|2,0,0]=4 68 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [2,0,0,0,0,0|2,0,0]=4 69 B10R0.4 CC(=O)NCCCCCCN MCULE-6988947031 [2,0,0,0,0,0|2,0,0]=4 70 B10R0.4 CC(=O)SCCCCCCN MCULE-6118060031 [2,0,0,0,0,0|2,0,0]=4 71 B10R0.4 CC(=O)SCCCCCCN MCULE-7116355086 [2,0,0,0,0,0|2,0,0]=4 72 B10R0.4 CC(C)CCCCCCC=O MCULE-8509627472 [2,0,0,0,0,0|1,0,0]=3 73 B10R0.4 CC(C)CCCCCCCO MCULE-6712139024 [2,0,0,0,0,0|1,0,1]=4 74 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [2,0,0,0,0,0|0,0,2]=4 75 B10R0.4 CCCCCC/C=C/C(=O)O MCULE-8167234483 [2,0,0,0,0,0|0,0,2]=4 76 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [2,0,0,0,0,0|0,0,2]=4 77 B10R0.4 CCCCCCCCB(O)O MCULE-9483383226 [2,0,0,0,0,0|1,0,1]=4 78 B10R0.4 CCCCCCCCC(=N)N MCULE-1846296312 [2,0,0,0,0,0|2,0,0]=4 79 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [2,0,0,0,0,0|1,0,0]=3 80 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [2,0,0,0,0,0|1,0,0]=3 81 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [2,0,0,0,0,0|1,0,0]=3 82 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [2,0,0,0,0,0|0,0,0]=2 83 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [2,0,0,0,0,0|0,0,1]=3 84 B10R0.4 CCCCCCCCC(C)O MCULE-3577613701 [2,0,0,0,0,0|1,0,1]=4 85 B10R0.4 CCCCCCCCN(=O)=O MCULE-2507397154 [2,0,0,0,0,0|1,0,1]=4 86 B10R0.4 CCCCCCCC[C@@H](C)O MCULE-6511994487 [2,0,0,0,0,0|1,0,1]=4 87 B10R0.4 CCCCCCCC[C@H](C)O MCULE-7200709868 [2,0,0,0,0,0|1,0,1]=4 88 B10R0.4 CCCCCCCNC(=O)C MCULE-3916780915 [2,0,0,0,0,0|2,0,0]=4 89 B10R0.4 CCCCCCCOC(=O)C MCULE-7061891812 [2,0,0,0,0,0|2,0,0]=4 90 B10R0.4 CCCCCCCOC(=O)Cl MCULE-9018506867 [2,0,0,0,0,0|2,0,0]=4 91 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [2,0,0,0,0,0|1,0,0]=3 92 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [2,0,0,0,0,0|1,0,0]=3 93 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [2,0,0,0,0,0|1,0,0]=3 94 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [2,0,0,0,0,0|1,0,0]=3 95 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [2,0,0,0,0,0|1,0,0]=3 96 B10R0.4 CCOCCOCCC(=O)O MCULE-7483626719 [2,0,0,0,0,0|2,0,0]=4 97 B10R0.4 COCCCOCCC(=O)O MCULE-5178930362 [2,0,0,0,0,0|2,0,0]=4 98 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [2,0,0,0,0,0|1,0,0]=3 99 B10R0.4 NC(=O)CCCCCCCBr MCULE-4427479699 [2,0,0,0,0,0|2,0,0]=4 100 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [2,0,0,0,0,0|0,0,0]=2 101 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [2,0,0,0,0,0|0,0,0]=2 102 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [2,0,0,0,0,0|1,0,0]=3 103 B10R0.4 NCCCNCCCC(=O)O MCULE-2780784491 [2,0,0,0,0,0|1,0,0]=3 104 B10R0.4 NCCCNCCCC(=O)O MCULE-8488597292 [2,0,0,0,0,0|1,0,0]=3 105 B10R0.4 NCCOCCOCC(=O)O MCULE-8111157626 [2,0,0,0,0,0|2,0,0]=4 106 B10R0.4 NCCOCCOCC(=O)O MCULE-9455562840 [2,0,0,0,0,0|2,0,0]=4 107 B10R0.4 O=C(Cl)CCCCCCCBr MCULE-5775098735 [2,0,0,0,0,0|2,0,0]=4 108 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [2,0,0,0,0,0|1,0,0]=3 109 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [2,0,0,0,0,0|1,0,0]=3 110 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [2,0,0,0,0,0|1,0,0]=3 111 B10R0.4 O=CCCCCCCC(=O)O MCULE-3146118588 [2,0,0,0,0,0|1,0,1]=4 112 B10R0.4 [C@H](C)(O)CCCCCCCC MCULE-7849954701 [2,0,0,0,0,0|1,0,1]=4 113 B10R0.74 C=CCCCCCC(C)CC MCULE-1533986474 [2,0,0,0,0,0|2,0,0]=4 114 B10R0.74 CCCCCCCC(N)CC MCULE-5023964032 [2,0,0,0,0,0|1,0,1]=4 115 B10R0.97 C=C(C)CCCCCC(=O)O MCULE-6091105789 [2,0,0,0,0,0|1,0,1]=4 116 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [2,0,0,0,0,0|1,0,1]=4 117 B10R0.97 CC(C)CCCCCC(=O)O MCULE-6934503036 [2,0,0,0,0,0|1,0,0]=3 118 B10R0.97 CC(C)CCCOCC(=O)O MCULE-7389478050 [2,0,0,0,0,0|2,0,0]=4 119 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [2,0,0,0,0,0|1,0,0]=3 120 B10R0.97 CN(C)CCCCCC(=O)O MCULE-1002014230 [2,0,0,0,0,0|2,0,0]=4 121 B10R0.97 CN(C)CCCCCC(=O)O MCULE-2670396647 [2,0,0,0,0,0|2,0,0]=4 122 B10R0.97 O=C(O)CCCCCC(F)F MCULE-9302536317 [2,0,0,0,0,0|2,0,0]=4 123 B12R0.44 CC(=O)CCC(C)CCCC(C)C MCULE-1306948790 [1,1,0,0,0,0|2,0,0]=4 124 B12R0.44 CC(C)CCCC(C)CCC(=O)O MCULE-4060617838 [1,1,0,0,0,0|1,0,0]=3 125 B12R0.137 CC(C)(C)NCCCCCC(=O)O MCULE-3035916967 [1,1,0,0,0,0|2,0,0]=4 126 B12R0.137 NS(=O)(=O)CCCCCCC(=O)O MCULE-5652448966 [1,1,0,0,0,0|2,0,0]=4 127 B12R0.184 C=CC(O)CCCCCCC(=O)O MCULE-2198484452 [1,1,0,0,0,0|1,0,1]=4 128 B12R0.184 CCC(=O)CCCCCCC(=O)O MCULE-4717498477 [1,1,0,0,0,0|1,0,1]=4 129 B12R0.184 CCC(C)CCCCCCC(=O)O MCULE-2900681210 [1,1,0,0,0,0|1,0,0]=3 130 B12R0.184 COC(=O)CCCCCCC(=O)O MCULE-9793115364 [1,1,0,0,0,0|1,0,1]=4 131 B12R0.184 COC(=O)CCCCCCC(C)C MCULE-3897074156 [1,1,0,0,0,0|1,0,0]=3 132 B12R0.184 O=C(O)CCCCCCC(=O)NO MCULE-8631395600 [1,1,0,0,0,0|1,0,1]=4 133 B12R0.210 CCS(=O)(=O)CCCCCC(=O)O MCULE-9652550148 [1,1,0,0,0,0|2,0,0]=4 134 B12R0.277 CCCC(=O)CCCCCC(=O)O MCULE-2592304646 [1,1,0,0,0,0|1,0,1]=4 135 B12R0.277 CCCC(C)CCCCCC(=O)O MCULE-8094468025 [1,1,0,0,0,0|1,0,0]=3 136 B12R0.277 CCCC(N)CCCCCC(=O)O MCULE-6921348147 [1,1,0,0,0,0|0,0,0]=2 137 B12R0.277 CCOC(=O)CCCCCC(=O)O MCULE-3615439341 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.226 CC1CCCC(C1)OCC(=O)O MCULE-3536391684 [1,0,0,1,0,0|2,0,0]=4 139 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-1932078578 [1,0,0,1,0,0|2,0,0]=4 140 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-5507374908 [1,0,0,1,0,0|2,0,0]=4 141 B12R1.226 CN1CCCC(C1)CCC(=O)O MCULE-3500988064 [1,0,0,1,0,0|2,0,0]=4 142 B12R1.226 CN1CCCC(C1)CCC(=O)O MCULE-8728115483 [1,0,0,1,0,0|2,0,0]=4 143 B12R1.226 NC1CCCC(C1)CCC(=O)O MCULE-1427868111 [1,0,0,1,0,0|0,0,0]=2 144 B12R1.226 O=C(O)CCC1CCCC(=O)N1 MCULE-3373923105 [1,0,0,1,0,0|1,0,1]=4 145 B12R1.261 CC(C)N1CCCCC1C(=O)O MCULE-1732607027 [1,0,0,1,0,0|2,0,0]=4 146 B12R1.261 CC(C)N1CCCCC1C(=O)O MCULE-7684924530 [1,0,0,1,0,0|2,0,0]=4 147 B12R1.261 CC(C)N1CCCC[C@H]1C(=O)O MCULE-7336169680 [1,0,0,1,0,0|2,0,0]=4 148 B12R1.261 CC(C)N1CCCC[C@H]1C(=O)O MCULE-8875686576 [1,0,0,1,0,0|2,0,0]=4 149 B12R1.261 NC(=O)C1CCCCC1C(=O)O MCULE-3798252597 [1,0,0,1,0,0|1,0,1]=4 150 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-7178475126 [1,0,0,1,0,0|1,0,1]=4 151 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-8672445916 [1,0,0,1,0,0|1,0,1]=4 152 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-2394611865 [1,0,0,1,0,0|1,0,1]=4 153 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4597512342 [1,0,0,1,0,0|1,0,1]=4 154 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3656636765 [1,0,0,1,0,0|1,0,1]=4 155 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3887795119 [1,0,0,1,0,0|1,0,1]=4 156 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-4029989910 [1,0,0,1,0,0|1,0,1]=4 157 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-6704294440 [1,0,0,1,0,0|1,0,1]=4 158 B12R1.391 CC1(CCCCC1CC(=O)O)C MCULE-6771932074 [1,0,0,1,0,0|1,0,0]=3 159 B12R1.391 CC1(CNCCC1CC(=O)O)C MCULE-6484507552 [1,0,0,1,0,0|2,0,0]=4 160 B12R1.391 CC1(CNCCC1CC(=O)O)C MCULE-8006312451 [1,0,0,1,0,0|2,0,0]=4 161 B12R1.392 CC(C)CN1CCCC1C(=O)O MCULE-4228889336 [1,0,0,1,0,0|2,0,0]=4 162 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O MCULE-2363163465 [1,0,0,1,0,0|2,0,0]=4 163 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O MCULE-2594145267 [1,0,0,1,0,0|2,0,0]=4 164 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O MCULE-1519984794 [1,0,0,1,0,0|2,0,0]=4 165 B12R1.874 O=C(O)CC1CCCCC(=O)N1 MCULE-9763824152 [1,0,0,1,0,0|1,0,1]=4 166 B12R1.1011 O=C1CCCCCC(C1)C(=O)O MCULE-3072060660 [1,0,0,1,0,0|1,0,1]=4 167 B12R1.21 CC(=O)SC[C@H]1CC[C@@H](CC1)N MCULE-6711585956 [1,0,0,1,0,0|2,0,0]=4 168 B12R1.21 CC(=O)SC[C@H]1CC[C@@H](CC1)N MCULE-9356026775 [1,0,0,1,0,0|2,0,0]=4 169 B12R1.21 CC1CCC(CC1)OCC(=O)O MCULE-3906347654 [1,0,0,1,0,0|2,0,0]=4 170 B12R1.21 CC1CCN(CC1)CCC(=O)O MCULE-2878454112 [1,0,0,1,0,0|2,0,0]=4 171 B12R1.21 CC1CC[NH+](CC1)CCC(=O)O MCULE-8844394642 [1,0,0,1,0,0|2,0,0]=4 172 B12R1.21 CN1CCC(CC1)CCC(=O)O MCULE-2352268379 [1,0,0,1,0,0|2,0,0]=4 173 B12R1.21 CN1CCC(CC1)CCC(=O)O MCULE-5230181915 [1,0,0,1,0,0|2,0,0]=4 174 B12R1.21 C[C@H]1CC[C@@H](CC1)CCC(=O)O MCULE-7082492863 [1,0,0,1,0,0|1,0,0]=3 175 B12R1.21 NC(=O)CNC1CCC(CC1)N MCULE-8943771451 [1,0,0,1,0,0|2,0,0]=4 176 B12R1.21 NC1CCC(CC1)CCC(=O)O MCULE-3578215541 [1,0,0,1,0,0|0,0,0]=2 177 B12R1.21 NC1CCC(CC1)NCC(=O)O MCULE-5319227851 [1,0,0,1,0,0|1,0,0]=3 178 B12R1.21 O=C(O)CCC1CCC(=O)CC1 MCULE-5805639266 [1,0,0,1,0,0|1,0,1]=4 179 B12R1.21 O=C(O)CCN1CCC(CC1)O MCULE-9235280130 [1,0,0,1,0,0|2,0,0]=4 180 B12R1.21 O=C(O)CCN1CCC(CC1)O MCULE-9990533659 [1,0,0,1,0,0|2,0,0]=4 181 B12R1.21 O=C(O)CNC1CCC(CC1)Br MCULE-6782284499 [1,0,0,1,0,0|2,0,0]=4 182 B12R1.21 O=C(O)CNC1CCC(CC1)Cl MCULE-6608935546 [1,0,0,1,0,0|2,0,0]=4 183 B12R1.21 O=C(O)CNC1CCC(CC1)I MCULE-2374737750 [1,0,0,1,0,0|2,0,0]=4 184 B12R1.21 O=C(O)CNC1CCC(CC1)O MCULE-5139328392 [1,0,0,1,0,0|2,0,0]=4 185 B12R1.59 CCC1CCC(C1)CCC(=O)O MCULE-7730890965 [1,0,0,1,0,0|1,0,0]=3 186 B12R1.59 CCC1CCC(C1)CCC(=O)[O-] MCULE-2720912899 [1,0,0,1,0,0|1,0,1]=4 187 B12R1.438 CCC1CC(CCO1)CC(=O)O MCULE-1533632681 [1,0,0,1,0,0|2,0,0]=4 188 B12R1.438 CCN1CCCC(C1)CC(=O)O MCULE-7610748383 [1,0,0,1,0,0|2,0,0]=4 189 B12R1.438 COC1CCCC(C1)CC(=O)O MCULE-9301642131 [1,0,0,1,0,0|2,0,0]=4 190 B12R1.19 CC1CCC(CC1C)CC(=O)O MCULE-7238132549 [0,0,0,1,1,0|2,0,0]=4 191 B12R1.1056 CC1([C@H](C[C@H]1CCC(=O)O)N)C MCULE-7470982887 [0,0,0,1,1,0|1,0,0]=3 192 B12R1.1056 CC1([C@H](C[C@H]1CCC(=O)O)N)C MCULE-8555476878 [0,0,0,1,1,0|1,0,0]=3 193 B14R1.9551 CC1CCC(C1(C)C)CCCC(=O)O MCULE-2280410428 [0,0,0,1,0,1|2,0,0]=4 194 B14R1.13252 NC1CSC(C1N)CCCCC(=O)O MCULE-1614349861 [0,1,0,1,0,0|0,0,0]=2 195 B14R1.13252 NC1CSC(C1N)CCCCC(=O)O MCULE-6974870952 [0,1,0,1,0,0|0,0,0]=2 196 B14R1.13252 N[C@@H]1CS[C@@H]([C@@H]1N)CCCCC(=O)O MCULE-7333603139 [0,1,0,1,0,0|0,0,0]=2 197 B14R1.13252 [NH3+][C@@H]1CS[C@@H]([C@@H]1[NH3+])CCCCC(=O)O MCULE-1506704138 [0,1,0,1,0,0|0,0,2]=4 198 B14R1.419 CC(C)[C@H]1CC[C@@H](CC1)CCC(=O)O MCULE-6084684849 [0,1,0,1,0,0|2,0,0]=4 199 B14R2.62291 CC1(C2CCC1(C(C2)C(=O)O)C)C MCULE-1375261431 [0,0,0,2,0,0|2,0,0]=4 200 B14R2.62291 CC1(C2CCC1(C(C2)C(=O)O)C)C MCULE-7495383968 [0,0,0,2,0,0|2,0,0]=4 201 B10R0.55 CCC(=O)CCCCC(=O)O MCULE-8497826453 [1,0,0,0,1,0|1,0,1]=4 202 B10R0.55 CCC(C)CCCCC(=O)O MCULE-5735580085 [1,0,0,0,1,0|1,0,0]=3 203 B12R0.268 CC(=O)CCCCCCCC(=O)O MCULE-5299092348 [1,0,0,0,0,1|1,0,1]=4 204 B12R0.268 CC(C)CCCCCCCC(=O)O MCULE-5820446421 [1,0,0,0,0,1|1,0,0]=3 205 B12R0.268 CC(C)SCCCCCCC(=O)O MCULE-2523005761 [1,0,0,0,0,1|1,0,0]=3 206 B12R0.268 CC(O)CCCCCCCC(=O)O MCULE-2753582455 [1,0,0,0,0,1|1,0,0]=3 207 B12R0.268 NC(=O)CCCCCCCC(=O)O MCULE-3125592334 [1,0,0,0,0,1|1,0,1]=4