0 B13R0.179 CC(=O)CCCCCCCCC(=O)C MCULE-9381321030 [0,0,0,0,0,0|2,0,0]=2 1 B13R0.179 CC(=O)CCCCCCCCC(=O)O MCULE-3207729356 [0,0,0,0,0,0|1,0,0]=1 2 B13R0.179 CC(=O)NCCCCCCNC(=O)C MCULE-8416060174 [0,0,0,0,0,0|4,0,0]=4 3 B13R0.179 CC(=O)OCCCCCCOC(=O)C MCULE-7403372760 [0,0,0,0,0,0|4,0,0]=4 4 B13R0.179 CC(C)CCCCCCCCC(=O)O MCULE-3966843726 [0,0,0,0,0,0|2,0,1]=3 5 B13R0.179 CC(N)CCCCCCCCC(=O)O MCULE-2236874517 [0,0,0,0,0,0|2,0,1]=3 6 B13R0.179 CC(O)CCCC/C=C/CCC(=O)O MCULE-4184050410 [0,0,0,0,0,0|1,0,3]=4 7 B13R0.179 NC(=O)CCCCCCCCC(=O)N MCULE-4459267910 [0,0,0,0,0,0|2,0,0]=2 8 B13R0.179 NC(=O)CCCCCCCCC(=O)O MCULE-3812988206 [0,0,0,0,0,0|1,0,0]=1 9 B13R0.179 NC(=O)CCCCCCCCC(=O)[O-] MCULE-9835231552 [0,0,0,0,0,0|1,0,1]=2 10 B13R0.179 NC(=O)NCCCCCCNC(=O)N MCULE-8880584847 [0,0,0,0,0,0|4,0,0]=4 11 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl MCULE-1861027504 [0,0,0,0,0,0|2,0,0]=2 12 B13R0.179 O=C(O)/C=C/CCCCCCC(=O)O MCULE-6446076002 [0,0,0,0,0,0|0,0,2]=2 13 B13R0.179 O=C(O)C=CCCCCCCC(=O)O MCULE-3337053306 [0,0,0,0,0,0|0,0,2]=2 14 B13R0.179 O=C(O)CCCC=CCCCC(=O)O MCULE-1881964892 [0,0,0,0,0,0|0,0,2]=2 15 B13R0.179 O=C(O)CCCCCCCCC(=O)O MCULE-3460494679 [0,0,0,0,0,0|0,0,0]=0 16 B13R0.179 O=C(O)CCCSSCCCC(=O)O MCULE-1430087542 [0,0,0,0,0,0|2,0,0]=2 17 B13R0.179 O=C(O)CCNCCNCCC(=O)O MCULE-2722762472 [0,0,0,0,0,0|2,0,0]=2 18 B13R0.179 O=C(O)CCNCCNCCC(=O)O MCULE-5434109073 [0,0,0,0,0,0|2,0,0]=2 19 B13R0.179 O=C(O)CCOCCOCCC(=O)O MCULE-3977979258 [0,0,0,0,0,0|2,0,0]=2 20 B13R0.179 O=C(O)CSCCCCSCC(=O)O MCULE-3409941884 [0,0,0,0,0,0|2,0,0]=2 21 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-6225615294 [0,0,0,0,0,0|0,0,2]=2 22 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-8793407892 [0,0,0,0,0,0|0,0,2]=2 23 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-9026337383 [0,0,0,0,0,0|0,0,2]=2 24 B12R0.234 C#CCCCCCCCCC(=O)Cl MCULE-2889527190 [1,0,0,0,0,0|2,0,1]=4 25 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [1,0,0,0,0,0|1,0,1]=3 26 B12R0.234 C=CCCCCCCCCC(=O)C MCULE-8465504630 [1,0,0,0,0,0|2,0,0]=3 27 B12R0.234 C=CCCCCCCCCC(=O)Cl MCULE-1643300518 [1,0,0,0,0,0|2,0,0]=3 28 B12R0.234 C=CCCCCCCCCC(=O)N MCULE-2069893872 [1,0,0,0,0,0|2,0,0]=3 29 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [1,0,0,0,0,0|1,0,0]=2 30 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-4921741648 [1,0,0,0,0,0|1,0,1]=3 31 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-8671525222 [1,0,0,0,0,0|1,0,1]=3 32 B12R0.234 C=CCCCCCCCCN(=O)=O MCULE-9960791760 [1,0,0,0,0,0|2,0,1]=4 33 B12R0.234 C=CCCCCCCCOC(=O)C MCULE-7392620730 [1,0,0,0,0,0|3,0,0]=4 34 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [1,0,0,0,0,0|1,0,2]=4 35 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [1,0,0,0,0,0|2,0,1]=4 36 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [1,0,0,0,0,0|2,0,1]=4 37 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [1,0,0,0,0,0|2,0,1]=4 38 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [1,0,0,0,0,0|1,0,1]=3 39 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [1,0,0,0,0,0|2,0,1]=4 40 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [1,0,0,0,0,0|2,0,1]=4 41 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [1,0,0,0,0,0|2,0,1]=4 42 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [1,0,0,0,0,0|2,0,1]=4 43 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [1,0,0,0,0,0|2,0,1]=4 44 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [1,0,0,0,0,0|1,0,1]=3 45 B12R0.234 N#N=NCCCCCCCC(=O)O MCULE-5693417997 [1,0,0,0,0,0|3,0,0]=4 46 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [1,0,0,0,0,0|1,0,1]=3 47 B12R0.234 O=C(O)/C=C/CCCCCCCO MCULE-7936793574 [1,0,0,0,0,0|0,0,3]=4 48 B12R0.234 O=C(O)C=CCCCCCCCO MCULE-6067845776 [1,0,0,0,0,0|0,0,3]=4 49 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [1,0,0,0,0,0|1,0,1]=3 50 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [1,0,0,0,0,0|1,0,1]=3 51 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [1,0,0,0,0,0|0,0,1]=2 52 B12R0.234 O=N(=O)CCCCCCCCCO MCULE-4658294221 [1,0,0,0,0,0|1,0,2]=4 53 B14R0.67 O=C(O)CCCCC(=O)NCCC(=O)O MCULE-5445530626 [0,1,0,0,0,0|1,0,1]=3 54 B14R0.305 CCC(=O)CCCCCCCCC(=O)O MCULE-6679639032 [0,1,0,0,0,0|1,0,0]=2 55 B14R0.305 CCC(C)CCCCCCCCC(=O)O MCULE-9730846585 [0,1,0,0,0,0|2,0,1]=4 56 B14R0.305 COC(=O)CCCCCCCCC(=O)Cl MCULE-2877186513 [0,1,0,0,0,0|1,0,0]=2 57 B14R0.305 COC(=O)CCCCCCCCC(=O)O MCULE-8938642997 [0,1,0,0,0,0|0,0,0]=1 58 B14R0.305 COC(=O)CCCCCCCCC(C)C MCULE-4071576185 [0,1,0,0,0,0|2,0,1]=4 59 B14R0.305 COC(=O)CCOCCOCCC(=O)O MCULE-4461290467 [0,1,0,0,0,0|2,0,0]=3 60 B14R0.305 NNC(=O)CCCCCCCCC(=O)O MCULE-6662669788 [0,1,0,0,0,0|1,0,0]=2 61 B14R0.305 O=C(O)CCCCCCCCC(O)CO MCULE-9638168645 [0,1,0,0,0,0|0,0,2]=3 62 B14R0.427 CC(=O)CC(=O)NCCCCCC(=O)O MCULE-3666865777 [0,1,0,0,0,0|2,0,1]=4 63 B14R0.427 O=C(O)CCCCCCC(O)CC(=O)O MCULE-3584480331 [0,1,0,0,0,0|0,0,0]=1 64 B14R0.549 C=C(CCCCCCCC(=O)O)C(=O)O MCULE-3696515751 [0,1,0,0,0,0|0,0,1]=2 65 B14R0.549 NC(CCCCCCCC(=O)O)C(=O)O MCULE-4762996603 [0,1,0,0,0,0|0,0,0]=1 66 B14R0.549 NC(CCSCCCCC(=O)O)C(=O)O MCULE-1871466201 [0,1,0,0,0,0|1,0,0]=2 67 B14R0.549 O=C(O)CCCCCCC[C@@H](O)C(=O)O MCULE-4932955141 [0,1,0,0,0,0|0,0,0]=1 68 B14R0.2680 O=C(O)CCOCCOCCS(=O)(=O)O MCULE-3059657494 [0,1,0,0,0,0|3,0,0]=4 69 B14R1.148 O=C(O)CCCCC1CCNC(=O)N1 MCULE-2708511618 [0,0,0,1,0,0|2,0,0]=3 70 B14R1.4524 CC(=O)NCC1CCCN1CC(=O)O MCULE-5580163177 [0,0,0,1,0,0|3,0,0]=4 71 B14R1.4524 CC(=O)NC[C@@H]1CCCN1CC(=O)O MCULE-4264754943 [0,0,0,1,0,0|3,0,0]=4 72 B14R1.6316 CC(=O)N1CCCC1CNCC(=O)O MCULE-9774521890 [0,0,0,1,0,0|3,0,0]=4 73 B14R1.6316 CC(=O)N1CCCC1COCC(=O)O MCULE-9087969930 [0,0,0,1,0,0|3,0,0]=4 74 B14R1.6316 CC(=O)N1CCC[C@H]1CNCC(=O)O MCULE-9735986320 [0,0,0,1,0,0|3,0,0]=4 75 B14R1.6316 CC(=O)N1CCC[C@H]1COCC(=O)O MCULE-1729984266 [0,0,0,1,0,0|3,0,0]=4 76 B14R1.6388 O=C(O)CCCCCCCCC1CC1 MCULE-4957612029 [0,0,0,1,0,0|2,0,1]=4 77 B12R0.268 CC(=O)CCCCCC=CC(=O)O MCULE-5335097568 [0,0,0,0,1,0|1,0,2]=4 78 B12R0.268 CC(=O)CCCCCCCC(=O)O MCULE-5299092348 [0,0,0,0,1,0|1,0,0]=2 79 B12R0.268 CC(C)CCCCCCCC(=O)O MCULE-5820446421 [0,0,0,0,1,0|2,0,1]=4 80 B12R0.268 CC(O)CCCCCCCC(=O)O MCULE-2753582455 [0,0,0,0,1,0|1,0,1]=3 81 B12R0.268 NC(=O)CCCCCCCC(=O)O MCULE-3125592334 [0,0,0,0,1,0|1,0,0]=2 82 B12R0.268 O=C(Cl)CCCCCCCC(=O)Cl MCULE-9993434552 [0,0,0,0,1,0|2,0,0]=3 83 B12R0.268 O=C(O)CCCCCCCC(=O)O MCULE-4093240509 [0,0,0,0,1,0|0,0,0]=1 84 B12R0.268 O=C(O)CCCCCCON(=O)=O MCULE-5045906943 [0,0,0,0,1,0|2,0,1]=4 85 B12R0.268 O=C(O)CCCCNCCC(=O)O MCULE-2001162043 [0,0,0,0,1,0|1,0,0]=2 86 B12R0.268 O=C(O)CCCCNCCC(=O)O MCULE-8676764057 [0,0,0,0,1,0|1,0,0]=2 87 B12R0.268 O=C(O)CCCNCCCC(=O)O MCULE-1624663865 [0,0,0,0,1,0|1,0,0]=2 88 B12R0.268 O=C(O)CCCOCCCC(=O)O MCULE-5250506996 [0,0,0,0,1,0|1,0,0]=2 89 B12R0.268 O=C(O)CCSCSCCC(=O)O MCULE-5771159784 [0,0,0,0,1,0|2,0,0]=3 90 B12R0.268 O=C(O)CNCCCNCC(=O)O MCULE-7974649276 [0,0,0,0,1,0|2,0,0]=3 91 B12R0.268 O=C(O)CSCCCSCC(=O)O MCULE-6412986208 [0,0,0,0,1,0|2,0,0]=3 92 B14R0.68 CC(=O)CCCCCCCCCC(=O)O MCULE-2777579719 [0,0,0,0,0,1|1,0,0]=2 93 B14R0.68 CC(=O)CCCCCCCCNC(=O)C MCULE-5569964910 [0,0,0,0,0,1|2,0,0]=3 94 B14R0.68 CC(=O)NCCCCCCCCC(=O)O MCULE-6693735666 [0,0,0,0,0,1|1,0,0]=2 95 B14R0.68 CC(=O)OCCCCCCCOC(=O)C MCULE-2908159074 [0,0,0,0,0,1|3,0,0]=4 96 B14R0.68 CC(C)CCCCCCCCCC(=O)O MCULE-8259958688 [0,0,0,0,0,1|2,0,1]=4 97 B14R0.68 CC(O)CCCCCCCCCC(=O)O MCULE-5368688925 [0,0,0,0,0,1|1,0,1]=3 98 B14R0.68 O=C(O)CCCCCCCCCC(=O)O MCULE-3587613382 [0,0,0,0,0,1|0,0,0]=1 99 B14R0.68 O=C(O)COCCOCCOCC(=O)O MCULE-8730884599 [0,0,0,0,0,1|2,0,0]=3 100 B14R0.68 O=C(O)CSCCCCCSCC(=O)O MCULE-1454500875 [0,0,0,0,0,1|1,0,0]=2 101 B11R0.3 C=CCCCCCCCCC=C MCULE-6018522624 [2,0,0,0,0,0|2,0,0]=4 102 B11R0.3 C=CCCCCCCCCC=O MCULE-2748563286 [2,0,0,0,0,0|1,0,0]=3 103 B11R0.3 C=CCCCCCCCCCO MCULE-8086496729 [2,0,0,0,0,0|1,0,1]=4 104 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [2,0,0,0,0,0|1,0,1]=4 105 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [2,0,0,0,0,0|2,0,0]=4 106 B11R0.3 O=CCCCCCCCCCBr MCULE-3317881097 [2,0,0,0,0,0|1,0,1]=4 107 B11R0.3 O=CNCCCCCCNC=O MCULE-7870977207 [2,0,0,0,0,0|2,0,0]=4 108 B11R0.3 OCCCCCCCCCCO MCULE-3187467810 [2,0,0,0,0,0|0,0,2]=4 109 B11R0.148 C#CCCCCCCCC(=O)O MCULE-1292545040 [2,0,0,0,0,0|0,0,2]=4 110 B11R0.148 C=CCCCCCCCC(=O)O MCULE-3892173219 [2,0,0,0,0,0|0,0,1]=3 111 B11R0.148 C=CCCOCCCCC(=O)O MCULE-6026091154 [2,0,0,0,0,0|1,0,1]=4 112 B11R0.148 C=CCOCCCCCC(=O)O MCULE-9227890338 [2,0,0,0,0,0|1,0,1]=4 113 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [2,0,0,0,0,0|2,0,0]=4 114 B11R0.148 CC(=O)OCCCCCCC=O MCULE-8513857573 [2,0,0,0,0,0|2,0,0]=4 115 B11R0.148 CC(O)CCCCCCCCO MCULE-6820244164 [2,0,0,0,0,0|1,0,1]=4 116 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [2,0,0,0,0,0|1,0,1]=4 117 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [2,0,0,0,0,0|1,0,1]=4 118 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [2,0,0,0,0,0|1,0,1]=4 119 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [2,0,0,0,0,0|1,0,1]=4 120 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [2,0,0,0,0,0|0,0,1]=3 121 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [2,0,0,0,0,0|0,0,1]=3 122 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [2,0,0,0,0,0|0,0,2]=4 123 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [2,0,0,0,0,0|0,0,2]=4 124 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [2,0,0,0,0,0|1,0,1]=4 125 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [2,0,0,0,0,0|1,0,1]=4 126 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [2,0,0,0,0,0|1,0,1]=4 127 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [2,0,0,0,0,0|1,0,1]=4 128 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [2,0,0,0,0,0|2,0,0]=4 129 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [2,0,0,0,0,0|1,0,0]=3 130 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [2,0,0,0,0,0|1,0,0]=3 131 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [2,0,0,0,0,0|1,0,0]=3 132 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [2,0,0,0,0,0|0,0,0]=2 133 B11R0.148 O=C(O)CCOCCOCCO MCULE-9797832183 [2,0,0,0,0,0|2,0,0]=4 134 B11R0.148 O=CCCCCCCCC(=O)O MCULE-8345312745 [2,0,0,0,0,0|0,0,0]=2 135 B11R0.148 O=N(=O)CCCCCCCCO MCULE-3641883800 [2,0,0,0,0,0|1,0,1]=4 136 B13R0.1 CCCCCCC(O)CCCC(=O)O MCULE-1012275180 [1,1,0,0,0,0|1,0,1]=4 137 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [1,1,0,0,0,0|1,0,1]=4 138 B13R0.54 C=CCCCCCCCCCC(=O)C MCULE-5730123957 [1,1,0,0,0,0|2,0,0]=4 139 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [1,1,0,0,0,0|1,0,0]=3 140 B13R0.54 C=CCCCCCCCCOC(=O)C MCULE-3987813819 [1,1,0,0,0,0|2,0,0]=4 141 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [1,1,0,0,0,0|1,0,1]=4 142 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [1,1,0,0,0,0|1,0,1]=4 143 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [1,1,0,0,0,0|1,0,1]=4 144 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [1,1,0,0,0,0|1,0,1]=4 145 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [1,1,0,0,0,0|1,0,1]=4 146 B13R0.54 N#N=NCCCCCCCCC(=O)O MCULE-9217828089 [1,1,0,0,0,0|2,0,0]=4 147 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [1,1,0,0,0,0|1,0,1]=4 148 B13R0.54 O=C(O)CCCCCCC/C=C/CO MCULE-9542952039 [1,1,0,0,0,0|0,0,1]=3 149 B13R0.54 O=C(O)CCCCCCCCC#CBr MCULE-4630465471 [1,1,0,0,0,0|1,0,1]=4 150 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [1,1,0,0,0,0|1,0,1]=4 151 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [1,1,0,0,0,0|1,0,1]=4 152 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [1,1,0,0,0,0|0,0,1]=3 153 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [1,1,0,0,0,0|0,1,1]=4 154 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [1,1,0,0,0,0|0,0,1]=3 155 B13R0.147 C#CCCCCCCCCC(=O)NO MCULE-1776052395 [1,1,0,0,0,0|1,0,1]=4 156 B13R0.147 C#CCCCCCCCCC(=O)OC MCULE-3643245325 [1,1,0,0,0,0|1,0,1]=4 157 B13R0.147 C=CCCCCCCCCC(=O)NN MCULE-1975489838 [1,1,0,0,0,0|2,0,0]=4 158 B13R0.147 C=CCCCCCCCCC(=O)NO MCULE-4384177401 [1,1,0,0,0,0|1,0,0]=3 159 B13R0.147 C=CCCCCCCCCC(=O)OC MCULE-5551120975 [1,1,0,0,0,0|1,0,0]=3 160 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [1,1,0,0,0,0|1,0,1]=4 161 B13R0.147 COC(=O)CCCCCCCCC=O MCULE-9755822433 [1,1,0,0,0,0|0,0,0]=2 162 B13R0.147 COC(=O)CCCCCCCCCBr MCULE-4125973468 [1,1,0,0,0,0|1,0,1]=4 163 B13R0.147 COC(=O)CCCCCCCCCN MCULE-2996113147 [1,1,0,0,0,0|1,0,1]=4 164 B13R0.147 COC(=O)CCCCCCCCCN MCULE-5692626711 [1,1,0,0,0,0|1,0,1]=4 165 B13R0.147 COC(=O)CCCCCCCCCO MCULE-2254055588 [1,1,0,0,0,0|0,0,1]=3 166 B13R0.150 CCCCCCCCCC(C)C(=O)O MCULE-6924124828 [1,1,0,0,0,0|1,0,1]=4 167 B13R0.150 CCCCCCCCCC(N)C(=O)O MCULE-2123708638 [1,1,0,0,0,0|1,0,1]=4 168 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O MCULE-7136532768 [1,1,0,0,0,0|1,0,1]=4 169 B13R0.150 N[C@@H](CCCCNCCCO)C(=O)O MCULE-1769705869 [1,1,0,0,0,0|1,0,1]=4 170 B13R0.150 [C@H](N)(CCCCCCCCC)C(=O)O MCULE-9801560462 [1,1,0,0,0,0|1,0,1]=4 171 B13R0.202 CCC(C)CCCCCCCC(=O)O MCULE-1986520602 [1,1,0,0,0,0|1,0,1]=4 172 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-2748735108 [1,1,0,0,0,0|1,0,1]=4 173 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-8926877324 [1,1,0,0,0,0|1,0,1]=4 174 B13R0.335 CCCCCCCCC(C)CC(=O)O MCULE-1071013190 [1,1,0,0,0,0|1,0,1]=4 175 B13R0.335 CCCCCCCCC(O)CC(=O)O MCULE-3464929288 [1,1,0,0,0,0|1,0,1]=4 176 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-2990158071 [0,1,0,0,1,0|1,0,0]=3 177 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-8044893771 [0,1,0,0,1,0|1,0,0]=3 178 B13R0.182 O=C(O)CCCNC(=O)CCC(=O)O MCULE-5304270240 [0,1,0,0,1,0|1,0,1]=4 179 B13R0.1398 O=C(O)CCCC(=O)CCCC(=O)O MCULE-1644298562 [0,1,0,0,1,0|0,0,1]=3 180 B15R0.247 COC(=O)CCCCCCCCCC(=O)O MCULE-6347713742 [0,1,0,0,0,1|0,0,0]=2 181 B15R0.2704 O=C(O)CCCCCCC(=O)NCC(=O)O MCULE-9792910068 [0,1,0,0,0,1|0,0,1]=3 182 B15R0.2704 O=C(O)CCCCCNC(=O)CCC(=O)O MCULE-9781788437 [0,1,0,0,0,1|0,0,1]=3 183 B15R0.5184 NC(CCCCC(=O)O)CCCCC(=O)O MCULE-1984030375 [0,1,0,0,0,1|0,0,0]=2 184 B15R0.5184 NC(CCCCC(=O)O)CCCCC(=O)O MCULE-2482850582 [0,1,0,0,0,1|0,0,0]=2 185 B15R0.5184 NC(COCCC(=O)O)COCCC(=O)O MCULE-4827450123 [0,1,0,0,0,1|1,0,0]=3 186 B15R0.5184 NC(COCCC(=O)O)COCCC(=O)O MCULE-7667502351 [0,1,0,0,0,1|1,0,0]=3 187 B15R0.5184 O=C(O)CCCCC(=O)CCCCC(=O)O MCULE-3223070120 [0,1,0,0,0,1|0,0,0]=2 188 B15R0.5184 O=C(O)CCCCC(=O)NCCCC(=O)O MCULE-4486509052 [0,1,0,0,0,1|0,0,1]=3 189 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C MCULE-9098653924 [0,2,0,0,0,0|1,0,0]=3 190 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O MCULE-2428773430 [0,2,0,0,0,0|0,0,0]=2 191 B15R0.111 CCOC(=O)CCOCCOCCC(=O)O MCULE-3767250465 [0,2,0,0,0,0|2,0,0]=4 192 B15R0.172 COC(=O)CCCCCCCCC(=O)OC MCULE-8633671524 [0,2,0,0,0,0|0,0,0]=2 193 B15R0.172 COC(=O)CCCCCCCCC(O)CO MCULE-4669620712 [0,2,0,0,0,0|0,0,2]=4 194 B15R0.172 COC(=O)NCCCCCCNC(=O)OC MCULE-6609792546 [0,2,0,0,0,0|2,0,0]=4 195 B15R0.172 NNC(=O)CCCCCCCCC(=O)NN MCULE-9469657244 [0,2,0,0,0,0|2,0,0]=4 196 B15R0.1698 C=C(CCCCCCCC(=O)O)C(=O)OC MCULE-2605672420 [0,2,0,0,0,0|0,0,1]=3 197 B15R0.3275 CC(CCCCCCC(C)C(=O)O)C(=O)O MCULE-7197861669 [0,2,0,0,0,0|0,0,0]=2 198 B15R0.3275 NC(CCCCCCC(N)C(=O)O)C(=O)O MCULE-1786836132 [0,2,0,0,0,0|0,0,0]=2 199 B15R0.3275 NC(CCCCCCC(N)C(=O)O)C(=O)O MCULE-2178920420 [0,2,0,0,0,0|0,0,0]=2 200 B15R0.3275 NC(CCSSCCC(N)C(=O)O)C(=O)O MCULE-2908176084 [0,2,0,0,0,0|2,0,0]=4 201 B15R0.3275 NC(CCSSCC[C@@H](N)C(=O)O)C(=O)O MCULE-1269654793 [0,2,0,0,0,0|2,0,0]=4 202 B15R0.3275 NC(CCSSCC[C@@H](N)C(=O)O)C(=O)O MCULE-4857309413 [0,2,0,0,0,0|2,0,0]=4 203 B15R0.3275 NC(CNCCCC[C@H](N)C(=O)O)C(=O)O MCULE-2549154362 [0,2,0,0,0,0|1,0,0]=3 204 B15R0.3275 NC(CNCCCC[C@H](N)C(=O)O)C(=O)O MCULE-2985122441 [0,2,0,0,0,0|1,0,0]=3 205 B15R0.3275 NC(CNCCCC[C@H](N)C(=O)O)C(=O)O MCULE-5032082497 [0,2,0,0,0,0|1,0,0]=3 206 B15R0.3275 NC(CNCCCC[C@H](N)C(=O)O)C(=O)O MCULE-9698227460 [0,2,0,0,0,0|1,0,0]=3 207 B15R0.3275 NC(CSCCSCC(N)C(=O)O)C(=O)O MCULE-2421951823 [0,2,0,0,0,0|2,0,0]=4 208 B15R0.3275 N[C@@H](CCCCNC[C@@H](N)C(=O)O)C(=O)O MCULE-8987248889 [0,2,0,0,0,0|1,0,0]=3 209 B15R0.3275 N[C@@H](CCCCNC[C@H](N)C(=O)O)C(=O)O MCULE-6919442994 [0,2,0,0,0,0|1,0,0]=3 210 B15R0.3275 N[C@@H](CCSSCC[C@@H](N)C(=O)O)C(=O)O MCULE-3401934513 [0,2,0,0,0,0|2,0,0]=4 211 B15R0.3275 N[C@@H](CCSSCC[C@H](N)C(=O)O)C(=O)O MCULE-5753550139 [0,2,0,0,0,0|2,0,0]=4 212 B15R0.3275 N[C@@H](CCSSCC[C@H](N)C(=O)O)C(=O)O MCULE-7987078921 [0,2,0,0,0,0|2,0,0]=4 213 B15R0.3275 N[C@@H](CCSSCC[C@H](N)C(=O)O)C(=O)O MCULE-8311115756 [0,2,0,0,0,0|2,0,0]=4 214 B15R0.3275 N[C@H](CCSSCC[C@@H](N)C(=O)O)C(=O)O MCULE-4138223501 [0,2,0,0,0,0|2,0,0]=4 215 B15R0.3275 [C@@H](N)(CCSSCC[C@@H](N)C(=O)O)C(=O)O MCULE-7553225348 [0,2,0,0,0,0|2,0,0]=4 216 B15R0.7561 O=P(O)(O)CCCCCCCCP(=O)(O)O MCULE-3851681107 [0,2,0,0,0,0|2,0,0]=4 217 B13R1.6 CCCCCCC1CCCC(=O)O1 MCULE-7844383556 [1,0,0,1,0,0|1,0,1]=4 218 B13R1.27 CCCCCCCC1CCC(=O)O1 MCULE-9018416843 [1,0,0,1,0,0|1,0,1]=4 219 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 MCULE-5815442718 [1,0,0,1,0,0|1,0,1]=4 220 B13R1.158 O=C(O)CCCN1CCCCC1=O MCULE-9681527343 [1,0,0,1,0,0|1,0,0]=3 221 B13R1.167 O=C(O)CCCCN1CCCC1=O MCULE-9177878757 [1,0,0,1,0,0|1,0,0]=3 222 B13R1.167 O=C(O)COCCN1CCCC1=O MCULE-1645260135 [1,0,0,1,0,0|2,0,0]=4 223 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [1,0,0,1,0,0|1,0,1]=4 224 B13R1.280 O=C(O)CCN1CCCCCC1=O MCULE-5062326708 [1,0,0,1,0,0|1,0,0]=3 225 B13R1.283 O=C(O)CN1CCCCCCC1=O MCULE-5316467172 [1,0,0,1,0,0|1,0,0]=3 226 B13R1.337 O=C(O)CCCCC1CCCCC1 MCULE-8624525968 [1,0,0,1,0,0|1,0,1]=4 227 B13R1.337 O=C(O)CCCOC1CCCCO1 MCULE-8336941826 [1,0,0,1,0,0|1,0,1]=4 228 B13R1.149 O=C(O)CCCC1CCCC(=O)N1 MCULE-3937421285 [0,0,0,1,1,0|1,0,0]=3 229 B13R1.589 CC(=O)N1CCCCC1CC(=O)O MCULE-5429623351 [0,0,0,1,1,0|2,0,0]=4 230 B13R1.589 O=C(O)CC1=C(CCCC1)C(=O)O MCULE-7255355215 [0,0,0,1,1,0|0,0,2]=4 231 B13R1.589 O=C(O)CC1CCC[NH2+]C1C(=O)O MCULE-4510480803 [0,0,0,1,1,0|1,0,0]=3 232 B13R1.589 O=C(O)CC1CCC[NH2+]C1C(=O)O MCULE-4607989011 [0,0,0,1,1,0|1,0,0]=3 233 B13R1.1082 CC(=O)N1CCCCCC1C(=O)O MCULE-5244297135 [0,0,0,1,1,0|2,0,0]=4 234 B15R1.110 O=C(O)CCCCCCC1=C[C@@H](CC1)O MCULE-4690400847 [0,0,0,1,0,1|1,0,1]=4 235 B15R1.119 O=C(O)CCCCCC1CCNC(=O)N1 MCULE-7838251904 [0,0,0,1,0,1|1,0,0]=3 236 B15R1.5914 CC(=O)NC1CCCCC1NCC(=O)O MCULE-3167151493 [0,0,0,1,0,1|2,0,0]=4 237 B15R1.5914 CC(=O)NCC1CCCCN1CC(=O)O MCULE-2484629848 [0,0,0,1,0,1|2,0,0]=4 238 B15R1.5914 CC(=O)N[C@@H]1CCCC[C@H]1OCC(=O)O MCULE-9703709728 [0,0,0,1,0,1|2,0,0]=4 239 B15R1.5914 CC(=O)N[C@H]1CCCC[C@@H]1OCC(=O)O MCULE-8872242798 [0,0,0,1,0,1|2,0,0]=4 240 B15R1.8882 CC(=O)N1CCCCC1CNCC(=O)O MCULE-3974945967 [0,0,0,1,0,1|2,0,0]=4 241 B15R1.8882 CC(=O)N1CCCCC1COCC(=O)O MCULE-7059251462 [0,0,0,1,0,1|2,0,0]=4 242 B15R1.9000 O=C(O)CCC[C@H]1CCN[C@H](C1)C(=O)O MCULE-2651362901 [0,1,0,1,0,0|1,0,0]=3 243 B15R1.11631 COC(=O)CCCCCCCCC1CO1 MCULE-1178066242 [0,1,0,1,0,0|1,0,1]=4 244 B15R1.22765 CC1NC(=O)NC1CCCCCC(=O)O MCULE-9561288488 [0,1,0,1,0,0|2,0,0]=4 245 B15R1.22765 C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O MCULE-2079168323 [0,1,0,1,0,0|2,0,0]=4 246 B15R1.22765 C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O MCULE-5450329749 [0,1,0,1,0,0|2,0,0]=4 247 B15R1.22765 C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O MCULE-7494442270 [0,1,0,1,0,0|2,0,0]=4 248 B15R1.3932 O=C(O)CCC(=O)N1CCCC1C(=O)O MCULE-9872691988 [0,1,0,1,0,0|1,0,1]=4 249 B15R1.3932 O=C(O)CCC(=O)N1CCC[C@H]1C(=O)O MCULE-2835180356 [0,1,0,1,0,0|1,0,1]=4 250 B15R1.3932 O=C(O)CCC(=O)N1CCC[C@H]1C(=O)O MCULE-6828910748 [0,1,0,1,0,0|1,0,1]=4 251 B15R2.62673 O=C1CSC2(N1)CCCCC2C(=O)O MCULE-8510371114 [0,0,0,2,0,0|2,0,0]=4 252 B15R2.30 O=C1CCCC(C1)C2CCCC(=O)C2 MCULE-1921118611 [0,0,0,2,0,0|2,0,0]=4 253 B15R2.988 O=C1CC(C2CCCCC2N1)C(=O)O MCULE-8868388407 [0,0,0,2,0,0|2,0,0]=4 254 B15R2.68986 O=C(O)C1CC2CCC1CC2C(=O)O MCULE-7482084628 [0,0,0,2,0,0|0,0,0]=2 255 B11R0.30 C=C(Br)CCCCCCC(=O)O MCULE-6895852201 [0,0,0,0,2,0|2,0,0]=4 256 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [0,0,0,0,2,0|2,0,0]=4 257 B11R0.30 C=C(Cl)CCCCCCC(=O)O MCULE-6082663554 [0,0,0,0,2,0|2,0,0]=4 258 B11R0.30 CC(=O)CCCCCCC(=O)C MCULE-3854362746 [0,0,0,0,2,0|2,0,0]=4 259 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [0,0,0,0,2,0|1,0,0]=3 260 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [0,0,0,0,2,0|2,0,0]=4 261 B11R0.30 CC(=O)SCCCCCC(=O)O MCULE-7058924302 [0,0,0,0,2,0|2,0,0]=4 262 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [0,0,0,0,2,0|1,0,1]=4 263 B11R0.30 NC(=O)NCCCCCC(=O)O MCULE-5723327422 [0,0,0,0,2,0|2,0,0]=4 264 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl MCULE-1634153909 [0,0,0,0,2,0|2,0,0]=4 265 B11R0.30 O=C(O)CC/C=C/CCC(=O)O MCULE-1948311077 [0,0,0,0,2,0|0,0,2]=4 266 B11R0.30 O=C(O)CCC=CCCC(=O)O MCULE-2875946233 [0,0,0,0,2,0|0,0,2]=4 267 B11R0.30 O=C(O)CCCCCCC(=O)O MCULE-1380155289 [0,0,0,0,2,0|0,0,0]=2 268 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2095125616 [0,0,0,0,2,0|1,0,0]=3 269 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2375984351 [0,0,0,0,2,0|1,0,0]=3 270 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-6189914759 [0,0,0,0,2,0|1,0,0]=3 271 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-8504773832 [0,0,0,0,2,0|1,0,0]=3 272 B11R0.30 O=C(O)CCSSCCC(=O)O MCULE-3923810057 [0,0,0,0,2,0|2,0,0]=4 273 B11R0.30 O=C(O)CNCCNCC(=O)O MCULE-1432102503 [0,0,0,0,2,0|2,0,0]=4 274 B11R0.30 O=C(O)COCCOCC(=O)O MCULE-8327328188 [0,0,0,0,2,0|2,0,0]=4 275 B11R0.30 O=C(O)CSCCSCC(=O)O MCULE-2894370528 [0,0,0,0,2,0|2,0,0]=4 276 B15R0.222 CC(=O)CCCCCCCCCCC(=O)O MCULE-8079792928 [0,0,0,0,0,2|1,0,0]=3 277 B15R0.222 CC(=O)OCCCCCCCCOC(=O)C MCULE-5154587833 [0,0,0,0,0,2|2,0,0]=4 278 B15R0.222 CC(O)CCCCCCCCCCC(=O)O MCULE-4292387921 [0,0,0,0,0,2|1,0,1]=4 279 B15R0.222 NC(=O)CSCCCCCCSCC(=O)N MCULE-4357716015 [0,0,0,0,0,2|2,0,0]=4 280 B15R0.222 O=C(Cl)CCCCCCCCCCC(=O)Cl MCULE-1432423564 [0,0,0,0,0,2|2,0,0]=4 281 B15R0.222 O=C(O)/C=C/CCCCCCCCC(=O)O MCULE-8276752366 [0,0,0,0,0,2|0,0,0]=2 282 B15R0.222 O=C(O)/C=C\CCCCCCCCC(=O)O MCULE-3304010087 [0,0,0,0,0,2|0,0,0]=2 283 B15R0.222 O=C(O)C=CCCCCCCCCC(=O)O MCULE-5765051698 [0,0,0,0,0,2|0,0,0]=2 284 B15R0.222 O=C(O)CCC/C=C\CCCCCC(=O)O MCULE-7091368723 [0,0,0,0,0,2|0,0,0]=2 285 B15R0.222 O=C(O)CCCC#CC#CCCCC(=O)O MCULE-5140059075 [0,0,0,0,0,2|0,0,2]=4 286 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O MCULE-1359972581 [0,0,0,0,0,2|0,0,0]=2 287 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O MCULE-6168408668 [0,0,0,0,0,2|0,0,0]=2 288 B15R0.222 O=C([O-])CCCCCCCCCCC(=O)[O-] MCULE-7782088447 [0,0,0,0,0,2|0,0,2]=4