0 B14R0.394 C#CCCCCCCCCCCC(=O)O MCULE-5450003719 [0,0,0,0,0,0|0,0,2]=2 1 B14R0.394 C=C(C)CCCCCCCCCCCC MCULE-1660064186 [0,0,0,0,0,0|2,0,0]=2 2 B14R0.394 C=CCCCCCCCCCCC(=C)C MCULE-2402891038 [0,0,0,0,0,0|2,0,2]=4 3 B14R0.394 C=CCCCCCCCCCCC(=O)O MCULE-9793800000 [0,0,0,0,0,0|0,0,2]=2 4 B14R0.394 C=CCCCCCCCCCSC(=O)C MCULE-4760117307 [0,0,0,0,0,0|2,0,2]=4 5 B14R0.394 CCCCC#CCCCCCCC(=O)O MCULE-8024164485 [0,0,0,0,0,0|0,0,2]=2 6 B14R0.394 CCCCCCCCCCC=CC(=O)O MCULE-4178586146 [0,0,0,0,0,0|0,0,2]=2 7 B14R0.394 CCCCCCCCCCCCB(O)O MCULE-9093678828 [0,0,0,0,0,0|1,0,1]=2 8 B14R0.394 CCCCCCCCCCCCC(=O)C MCULE-2872423248 [0,0,0,0,0,0|1,0,0]=1 9 B14R0.394 CCCCCCCCCCCCC(=O)O MCULE-1430959106 [0,0,0,0,0,0|0,0,0]=0 10 B14R0.394 CCCCCCCCCCCCC(C)C MCULE-7317925183 [0,0,0,0,0,0|2,0,1]=3 11 B14R0.394 CCCCCCCCCCCCC(C)I MCULE-9658991496 [0,0,0,0,0,0|2,0,1]=3 12 B14R0.394 CCCCCCCCCCCCC(C)O MCULE-1888626759 [0,0,0,0,0,0|1,0,1]=2 13 B14R0.394 CCCCCCCCCCCCN(=O)=O MCULE-5400909349 [0,0,0,0,0,0|1,0,1]=2 14 B14R0.394 CCCCCCCCCCCCN(C)C MCULE-7234022591 [0,0,0,0,0,0|3,0,0]=3 15 B14R0.394 CCCCCCCCCCCCS(=O)C MCULE-1846061546 [0,0,0,0,0,0|2,0,0]=2 16 B14R0.394 CCCCCCCCCCCOC(=O)C MCULE-9960804873 [0,0,0,0,0,0|2,0,0]=2 17 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-1390429058 [0,0,0,0,0,0|1,0,0]=1 18 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-7569072874 [0,0,0,0,0,0|1,0,0]=1 19 B14R0.394 CCCCCCCCSCCOC(=O)C MCULE-3293546242 [0,0,0,0,0,0|3,0,0]=3 20 B14R0.394 CCCCCCCCSCCSC(=N)N MCULE-4393321218 [0,0,0,0,0,0|4,0,0]=4 21 B14R0.394 CCCCCCCCSCCSC(=N)N MCULE-8799034938 [0,0,0,0,0,0|4,0,0]=4 22 B14R0.394 COCCOCCOCCOCC(=O)O MCULE-5417867636 [0,0,0,0,0,0|4,0,0]=4 23 B14R0.394 N#CCCCCCCCCCCC(=O)O MCULE-7550910857 [0,0,0,0,0,0|1,0,1]=2 24 B14R0.394 N#N=NCCCCCCCCCC(=O)O MCULE-9886282931 [0,0,0,0,0,0|3,0,0]=3 25 B14R0.394 NCCCCCCCCCCCC(=O)O MCULE-4152674665 [0,0,0,0,0,0|1,0,0]=1 26 B14R0.394 NCCOCCOCCOCCC(=O)O MCULE-1677529776 [0,0,0,0,0,0|4,0,0]=4 27 B14R0.394 NCCOCCOCCOCCC(=O)O MCULE-6785929392 [0,0,0,0,0,0|4,0,0]=4 28 B14R0.394 O=C(O)CCCCCCCCCCCBr MCULE-7401124485 [0,0,0,0,0,0|1,0,0]=1 29 B14R0.394 O=C(O)CCCCCCCCCCCO MCULE-6776936355 [0,0,0,0,0,0|1,0,0]=1 30 B14R0.394 O=C(O)CCCCCCCCCCCS MCULE-7711860322 [0,0,0,0,0,0|1,0,0]=1 31 B14R0.394 O=C(O)CCOCCOCCOCCBr MCULE-5688301812 [0,0,0,0,0,0|4,0,0]=4 32 B14R0.394 O=C(O)CCOCCOCCOCCO MCULE-7818931244 [0,0,0,0,0,0|4,0,0]=4 33 B14R0.394 O=C(O)CCOCCOCCOCCS MCULE-7580641969 [0,0,0,0,0,0|4,0,0]=4 34 B14R0.394 O=C(O)COCCOCCCCCCCl MCULE-1118128476 [0,0,0,0,0,0|3,0,0]=3 35 B14R0.394 O=N(=O)CCCCCCCCCCCO MCULE-8940789390 [0,0,0,0,0,0|2,0,1]=3 36 B14R0.394 [NH+](C)(C)CCCCCCCCCCCC MCULE-8328860853 [0,0,0,0,0,0|3,0,0]=3 37 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [1,0,0,0,0,0|0,0,2]=3 38 B13R0.54 C=C(C)CCCCCCCCCCC MCULE-6486590493 [1,0,0,0,0,0|2,0,0]=3 39 B13R0.54 C=CCCCCCCCCCC(=O)C MCULE-5730123957 [1,0,0,0,0,0|1,0,2]=4 40 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [1,0,0,0,0,0|0,0,2]=3 41 B13R0.54 CCCCCC/C=C\CCCC(=O)O MCULE-9454929405 [1,0,0,0,0,0|0,0,2]=3 42 B13R0.54 CCCCCCC=CCCCC(=O)O MCULE-1299148519 [1,0,0,0,0,0|0,0,2]=3 43 B13R0.54 CCCCCCCCC/C=C/C(=O)O MCULE-8068052432 [1,0,0,0,0,0|0,0,2]=3 44 B13R0.54 CCCCCCCCCC=CC(=O)O MCULE-5397880976 [1,0,0,0,0,0|0,0,2]=3 45 B13R0.54 CCCCCCCCCCCC(=N)N MCULE-2355708247 [1,0,0,0,0,0|2,0,0]=3 46 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [1,0,0,0,0,0|1,0,0]=2 47 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [1,0,0,0,0,0|1,0,0]=2 48 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [1,0,0,0,0,0|1,0,0]=2 49 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [1,0,0,0,0,0|0,0,0]=1 50 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [1,0,0,0,0,0|0,0,1]=2 51 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [1,0,0,0,0,0|0,0,1]=2 52 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [1,0,0,0,0,0|0,0,1]=2 53 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [1,0,0,0,0,0|0,0,1]=2 54 B13R0.54 CCCCCCCCCCCC(C)N MCULE-3980418920 [1,0,0,0,0,0|2,0,1]=4 55 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [1,0,0,0,0,0|1,0,1]=3 56 B13R0.54 CCCCCCCCCCCN(=O)=O MCULE-4760203332 [1,0,0,0,0,0|1,0,1]=3 57 B13R0.54 CCCCCCCCCCCN(C)C MCULE-5478138058 [1,0,0,0,0,0|3,0,0]=4 58 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [1,0,0,0,0,0|2,0,0]=3 59 B13R0.54 CCCCCCCCCCNC(=S)N MCULE-1226316897 [1,0,0,0,0,0|2,1,0]=4 60 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [1,0,0,0,0,0|2,0,0]=3 61 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [1,0,0,0,0,0|2,0,0]=3 62 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8121799109 [1,0,0,0,0,0|1,2,0]=4 63 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8750716716 [1,0,0,0,0,0|1,2,0]=4 64 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [1,0,0,0,0,0|1,0,0]=2 65 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [1,0,0,0,0,0|2,0,0]=3 66 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [1,0,0,0,0,0|1,0,0]=2 67 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [1,0,0,0,0,0|1,0,1]=3 68 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [1,0,0,0,0,0|1,0,0]=2 69 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [1,0,0,0,0,0|1,0,0]=2 70 B13R0.54 COCCOCCOCCCC(=O)O MCULE-5833620933 [1,0,0,0,0,0|3,0,0]=4 71 B13R0.54 N#N=NCCCCCCCCC(=O)O MCULE-9217828089 [1,0,0,0,0,0|3,0,0]=4 72 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [1,0,0,0,0,0|2,0,0]=3 73 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [1,0,0,0,0,0|1,0,0]=2 74 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [1,0,0,0,0,0|1,0,1]=3 75 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [1,0,0,0,0,0|2,0,0]=3 76 B13R0.54 O=C(O)CCCCCCC/C=C/CO MCULE-9542952039 [1,0,0,0,0,0|1,0,2]=4 77 B13R0.54 O=C(O)CCCCCCCCC#CBr MCULE-4630465471 [1,0,0,0,0,0|1,0,2]=4 78 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [1,0,0,0,0,0|1,0,0]=2 79 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [1,0,0,0,0,0|1,0,0]=2 80 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [1,0,0,0,0,0|1,0,0]=2 81 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [1,0,0,0,0,0|1,0,0]=2 82 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [1,0,0,0,0,0|2,0,0]=3 83 B13R0.54 O=N(=O)CCCCCCCCCCBr MCULE-8717758522 [1,0,0,0,0,0|2,0,1]=4 84 B13R0.54 O=N(=O)CCCCCCCCCCO MCULE-1367838470 [1,0,0,0,0,0|2,0,1]=4 85 B13R0.336 BrCCCCCCCCCCCCBr MCULE-6672891675 [1,0,0,0,0,0|2,0,1]=4 86 B13R0.336 C#CCCCCCCCCCCCC MCULE-4146985591 [1,0,0,0,0,0|1,0,1]=3 87 B13R0.336 C#CCCCCCCCCCCCO MCULE-9314358664 [1,0,0,0,0,0|0,0,3]=4 88 B13R0.336 C=CCCCCCCCCCCC=C MCULE-5370372946 [1,0,0,0,0,0|1,0,2]=4 89 B13R0.336 C=CCCCCCCCCCCCBr MCULE-3110147791 [1,0,0,0,0,0|2,0,0]=3 90 B13R0.336 C=CCCCCCCCCCCCC MCULE-5148675782 [1,0,0,0,0,0|1,0,0]=2 91 B13R0.336 C=CCCCCCCCCCCCO MCULE-6006083957 [1,0,0,0,0,0|2,0,0]=3 92 B13R0.336 C=CCSCCCCCCCCCC MCULE-6078028682 [1,0,0,0,0,0|2,0,0]=3 93 B13R0.336 CCCCCCCCCCC=CCO MCULE-7248316175 [1,0,0,0,0,0|0,0,3]=4 94 B13R0.336 CCCCCCCCCCCCC#N MCULE-2240447839 [1,0,0,0,0,0|1,0,1]=3 95 B13R0.336 CCCCCCCCCCCCC=O MCULE-6267230462 [1,0,0,0,0,0|0,0,0]=1 96 B13R0.336 CCCCCCCCCCCCCBr MCULE-4920949706 [1,0,0,0,0,0|1,0,1]=3 97 B13R0.336 CCCCCCCCCCCCCC MCULE-7442374993 [1,0,0,0,0,0|1,0,1]=3 98 B13R0.336 CCCCCCCCCCCCCCl MCULE-5597677663 [1,0,0,0,0,0|1,0,1]=3 99 B13R0.336 CCCCCCCCCCCCCI MCULE-8848884635 [1,0,0,0,0,0|1,0,1]=3 100 B13R0.336 CCCCCCCCCCCCCN MCULE-1771591728 [1,0,0,0,0,0|1,0,1]=3 101 B13R0.336 CCCCCCCCCCCCCO MCULE-4385103550 [1,0,0,0,0,0|0,0,1]=2 102 B13R0.336 CCCCCCCCCCCCNC MCULE-6157278006 [1,0,0,0,0,0|2,0,0]=3 103 B13R0.336 CCCCCCCCCCCCON MCULE-8050164267 [1,0,0,0,0,0|2,0,0]=3 104 B13R0.336 CCCCCCCCCCCCSC MCULE-8837710331 [1,0,0,0,0,0|2,0,0]=3 105 B13R0.336 CCCCCCCCCCCSCC MCULE-7247079771 [1,0,0,0,0,0|2,0,1]=4 106 B13R0.336 CCCCCCCCCCNCCC MCULE-5779059384 [1,0,0,0,0,0|2,0,1]=4 107 B13R0.336 CCCCCCCCCCNCCO MCULE-6579629969 [1,0,0,0,0,0|1,0,1]=3 108 B13R0.336 CCCCCCCCCCOCCCl MCULE-1526089088 [1,0,0,0,0,0|2,0,1]=4 109 B13R0.336 CCCCCCCCCCOCCO MCULE-4975665756 [1,0,0,0,0,0|1,0,1]=3 110 B13R0.336 CCCCCCCCCCSCCO MCULE-4627647142 [1,0,0,0,0,0|1,0,1]=3 111 B13R0.336 CCCCCCCCCC[NH2+]CCCl MCULE-2529658193 [1,0,0,0,0,0|2,0,1]=4 112 B13R0.336 CCCCCCCCCC[NH2+]CCCl MCULE-5824513113 [1,0,0,0,0,0|2,0,1]=4 113 B13R0.336 CCCCCCCCCNCCC#N MCULE-7229403210 [1,0,0,0,0,0|2,0,1]=4 114 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3004462204 [1,0,0,0,0,0|2,0,1]=4 115 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3338948197 [1,0,0,0,0,0|2,0,1]=4 116 B13R0.336 CCCCCCCSCCOCCO MCULE-9037054254 [1,0,0,0,0,0|2,0,1]=4 117 B13R0.336 CCCCCCNCCCCCCN MCULE-6843159625 [1,0,0,0,0,0|2,0,1]=4 118 B13R0.336 ClCCCCCCCCCCCCCl MCULE-9606409213 [1,0,0,0,0,0|2,0,1]=4 119 B13R0.336 NCCCCCCCCCCCCBr MCULE-3944006044 [1,0,0,0,0,0|2,0,1]=4 120 B13R0.336 NCCCCCCCCCCCCBr MCULE-9552866350 [1,0,0,0,0,0|2,0,1]=4 121 B13R0.336 NCCCCCCCCCCCCN MCULE-7545047614 [1,0,0,0,0,0|2,0,1]=4 122 B13R0.336 NCCCCCCCCCCCCO MCULE-2914976551 [1,0,0,0,0,0|1,0,1]=3 123 B13R0.336 O=CCCCCCCCCCCC=O MCULE-9426216050 [1,0,0,0,0,0|1,0,1]=3 124 B13R0.336 O=CCCCCCCCCCCCBr MCULE-4256275371 [1,0,0,0,0,0|1,0,0]=2 125 B13R0.336 OCCCCCCCCCCCCBr MCULE-1748500310 [1,0,0,0,0,0|1,0,1]=3 126 B13R0.336 OCCCCCCCCCCCCO MCULE-7189041510 [1,0,0,0,0,0|1,0,1]=3 127 B13R0.336 OCCCCCOCCCCCCCl MCULE-1987336489 [1,0,0,0,0,0|2,0,1]=4 128 B15R0.69 C=C(C)CC(C)CCCCCCCCCC MCULE-9735141948 [0,1,0,0,0,0|2,0,0]=3 129 B15R0.69 CCCCCCCCCCC(C)CC(=O)O MCULE-3804531187 [0,1,0,0,0,0|0,0,0]=1 130 B15R0.69 CCCCCCCCCCC(O)CC(=O)O MCULE-6799084773 [0,1,0,0,0,0|0,0,0]=1 131 B15R0.69 CCCCCCCCCOC(=O)CC(=O)C MCULE-7144219586 [0,1,0,0,0,0|2,0,1]=4 132 B15R0.81 CCCCCCCCCCCCC(=O)OC MCULE-6268749120 [0,1,0,0,0,0|0,0,0]=1 133 B15R0.81 CCCCCCCCCCCCC(Br)CBr MCULE-7936527323 [0,1,0,0,0,0|2,0,1]=4 134 B15R0.81 CCCCCCCCCCCCC(C)C=O MCULE-8588140296 [0,1,0,0,0,0|1,0,1]=3 135 B15R0.81 CCCCCCCCCCCCC(C)CO MCULE-6702247896 [0,1,0,0,0,0|1,0,1]=3 136 B15R0.81 CCCCCCCCCCCCC(Cl)CCl MCULE-4718867639 [0,1,0,0,0,0|2,0,1]=4 137 B15R0.81 CCCCCCCCCCCCC(O)CN MCULE-9092341179 [0,1,0,0,0,0|1,0,1]=3 138 B15R0.81 CCCCCCCCCCCCC(O)CO MCULE-4985661381 [0,1,0,0,0,0|0,0,2]=3 139 B15R0.81 CCCCCCCCCCCCC([NH3+])CO MCULE-3619948090 [0,1,0,0,0,0|1,0,1]=3 140 B15R0.81 CCCCCCCCCCCCC([NH3+])CO MCULE-8988712408 [0,1,0,0,0,0|1,0,1]=3 141 B15R0.81 CCCCCCCCCCOCC(O)CO MCULE-3618364650 [0,1,0,0,0,0|1,0,2]=4 142 B15R0.81 COC(=O)CCCCCCCCCCC#N MCULE-3424341580 [0,1,0,0,0,0|1,0,1]=3 143 B15R0.81 COC(=O)CCCCCCCCCCCBr MCULE-7032517210 [0,1,0,0,0,0|1,0,0]=2 144 B15R0.81 COC(=O)CCCCCCCCCCCN MCULE-2097053515 [0,1,0,0,0,0|1,0,0]=2 145 B15R0.81 COC(=O)CCCCCCCCCCCN MCULE-6460421950 [0,1,0,0,0,0|1,0,0]=2 146 B15R0.84 CCCCCCCCCCCC(C)C(=O)O MCULE-5954675605 [0,1,0,0,0,0|0,0,0]=1 147 B15R0.88 CCCCCCCCCC(=O)NCC(=O)O MCULE-9009743421 [0,1,0,0,0,0|1,0,1]=3 148 B15R0.88 CCCCCCCCNC(=O)CCC(=O)O MCULE-1258129661 [0,1,0,0,0,0|1,0,1]=3 149 B15R0.88 CCCCCCCCOC(=O)CCC(=O)O MCULE-4799004845 [0,1,0,0,0,0|1,0,1]=3 150 B15R0.88 CCCCOCCCNC(=O)CCC(=O)O MCULE-2528840250 [0,1,0,0,0,0|2,0,1]=4 151 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C MCULE-9098653924 [0,1,0,0,0,0|2,0,1]=4 152 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O MCULE-2428773430 [0,1,0,0,0,0|1,0,1]=3 153 B15R0.129 CCCCCCCC(=O)NCCCC(=O)O MCULE-5369086350 [0,1,0,0,0,0|1,0,1]=3 154 B15R0.129 CCCCCCCC(O)CCCCC(=O)O MCULE-3086004434 [0,1,0,0,0,0|0,0,0]=1 155 B15R0.129 CCCCCCNC(=O)NCCCC(=O)O MCULE-6413693719 [0,1,0,0,0,0|2,0,1]=4 156 B15R0.164 C#CCCCCCCCCCCCC(=O)O MCULE-5832522123 [0,1,0,0,0,0|0,0,1]=2 157 B15R0.164 C=C(C)CCCCCCCCCCCCC MCULE-7613302437 [0,1,0,0,0,0|2,0,0]=3 158 B15R0.164 CC(=O)SCCCCCCCCCCCBr MCULE-7548194965 [0,1,0,0,0,0|2,0,0]=3 159 B15R0.164 CC/C=C\CCCCCCCCOC(=O)C MCULE-6483284858 [0,1,0,0,0,0|1,0,2]=4 160 B15R0.164 CCC/C=C/CCCCCCCOC(=O)C MCULE-2744234945 [0,1,0,0,0,0|1,0,2]=4 161 B15R0.164 CCC/C=C\CCCCCCCOC(=O)C MCULE-7735460500 [0,1,0,0,0,0|1,0,2]=4 162 B15R0.164 CCC=CCCCCCCCCOC(=O)C MCULE-2798849083 [0,1,0,0,0,0|1,0,2]=4 163 B15R0.164 CCCC/C=C/CCCCCCCC(=O)O MCULE-6705749045 [0,1,0,0,0,0|0,0,1]=2 164 B15R0.164 CCCC/C=C/CCCCCCOC(=O)C MCULE-2152851271 [0,1,0,0,0,0|1,0,2]=4 165 B15R0.164 CCCC/C=C\CCCCCCCC(=O)O MCULE-5504515924 [0,1,0,0,0,0|0,0,1]=2 166 B15R0.164 CCCC/C=C\CCCCCCOC(=O)C MCULE-3266505572 [0,1,0,0,0,0|1,0,2]=4 167 B15R0.164 CCCC=CCCCCCCCOC(=O)C MCULE-3017538960 [0,1,0,0,0,0|1,0,2]=4 168 B15R0.164 CCCCC=CCCCCCCCC(=O)O MCULE-5940555705 [0,1,0,0,0,0|0,0,1]=2 169 B15R0.164 CCCCC=CCCCCCCOC(=O)C MCULE-4045769000 [0,1,0,0,0,0|1,0,2]=4 170 B15R0.164 CCCCCCCCC#CCCCC(=O)O MCULE-7080925639 [0,1,0,0,0,0|0,0,1]=2 171 B15R0.164 CCCCCCCCCCCC=C[N+](=O)[O-] MCULE-5913989728 [0,1,0,0,0,0|1,0,2]=4 172 B15R0.164 CCCCCCCCCCCCCC(=O)C MCULE-8350749092 [0,1,0,0,0,0|1,0,0]=2 173 B15R0.164 CCCCCCCCCCCCCC(=O)Cl MCULE-2497488642 [0,1,0,0,0,0|1,0,0]=2 174 B15R0.164 CCCCCCCCCCCCCC(=O)N MCULE-5753717982 [0,1,0,0,0,0|1,0,0]=2 175 B15R0.164 CCCCCCCCCCCCCC(=O)O MCULE-9671122893 [0,1,0,0,0,0|0,0,0]=1 176 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-6783279487 [0,1,0,0,0,0|0,0,1]=2 177 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-7103790332 [0,1,0,0,0,0|0,0,1]=2 178 B15R0.164 CCCCCCCCCCCCCC(C)C MCULE-2845003178 [0,1,0,0,0,0|2,0,1]=4 179 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-3926449131 [0,1,0,0,0,0|2,0,0]=3 180 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-7807646855 [0,1,0,0,0,0|2,0,0]=3 181 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-9225437546 [0,1,0,0,0,0|2,0,0]=3 182 B15R0.164 CCCCCCCCCCCCNC(=O)C MCULE-9415436236 [0,1,0,0,0,0|1,0,0]=2 183 B15R0.164 CCCCCCCCCCCCNC(=O)N MCULE-2832774647 [0,1,0,0,0,0|1,0,0]=2 184 B15R0.164 CCCCCCCCCCCCOC(=O)C MCULE-2488215593 [0,1,0,0,0,0|1,0,0]=2 185 B15R0.164 CCCCCCCCCCCCOC(=O)Cl MCULE-1341492119 [0,1,0,0,0,0|1,0,0]=2 186 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-2395943543 [0,1,0,0,0,0|0,2,0]=3 187 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-5871678815 [0,1,0,0,0,0|0,2,0]=3 188 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-1172582046 [0,1,0,0,0,0|2,0,0]=3 189 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-6001885776 [0,1,0,0,0,0|2,0,0]=3 190 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-8803922937 [0,1,0,0,0,0|2,0,0]=3 191 B15R0.164 CCCCCCCCCCCOCC(=O)O MCULE-2338877776 [0,1,0,0,0,0|0,0,0]=1 192 B15R0.164 CCCCCCCCCCCSCC(=O)O MCULE-3362261921 [0,1,0,0,0,0|0,0,0]=1 193 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-4890771155 [0,1,0,0,0,0|0,0,0]=1 194 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-9733002368 [0,1,0,0,0,0|0,0,0]=1 195 B15R0.164 CCCCCCCCCCOCCC(=O)O MCULE-9683464566 [0,1,0,0,0,0|0,0,0]=1 196 B15R0.164 CCCCCCCCCCSCCC(=O)O MCULE-4853340553 [0,1,0,0,0,0|0,0,0]=1 197 B15R0.164 CCCCCCCCSCCCCC(=O)O MCULE-1196712745 [0,1,0,0,0,0|0,0,0]=1 198 B15R0.164 CCCCCCCSCCCCCC(=O)O MCULE-9410938289 [0,1,0,0,0,0|0,0,0]=1 199 B15R0.164 CCCOCCCCCCCCCC(=O)O MCULE-6540084862 [0,1,0,0,0,0|0,0,0]=1 200 B15R0.164 CNCCCCCCCCCCCC(=O)O MCULE-3869239649 [0,1,0,0,0,0|0,0,0]=1 201 B15R0.164 COCCOCCOCCOCCC(=O)O MCULE-7922991286 [0,1,0,0,0,0|3,0,0]=4 202 B15R0.164 N#N=NCCCCCCCCCCC(=O)O MCULE-2957741079 [0,1,0,0,0,0|2,0,0]=3 203 B15R0.164 O=C(O)CCCCCCCCCCCCBr MCULE-2321032418 [0,1,0,0,0,0|0,0,0]=1 204 B15R0.164 O=C(O)CCCCCCCCCCCCO MCULE-3086618486 [0,1,0,0,0,0|0,0,0]=1 205 B15R0.164 O=CNCCCCCCCCCCC(=O)O MCULE-3600316275 [0,1,0,0,0,0|1,0,1]=3 206 B15R0.164 O=N(=O)CCCCCCCCCCCCBr MCULE-4250276660 [0,1,0,0,0,0|1,0,1]=3 207 B15R0.164 O=N(=O)CCCCCCCCCCCCO MCULE-2840091029 [0,1,0,0,0,0|1,0,1]=3 208 B15R0.193 CCCCCCC(=O)CCCCCC(=O)O MCULE-2666903083 [0,1,0,0,0,0|0,0,1]=2 209 B15R0.193 CCCCCCC(O)CCCCCC(=O)O MCULE-9789061912 [0,1,0,0,0,0|0,0,0]=1 210 B15R0.210 O=C(O)CCCCCCCC(O)/C=C/CO MCULE-5989156731 [0,1,0,0,0,0|1,0,2]=4 211 B15R0.210 O=CCCC(=O)CCCCCCCC(=O)O MCULE-8468220853 [0,1,0,0,0,0|1,0,2]=4 212 B15R0.222 CC(=O)CCCCCCCCCCC(=O)O MCULE-8079792928 [0,1,0,0,0,0|0,0,1]=2 213 B15R0.222 CC(C)CCCCCCCCCCC(=O)O MCULE-7115259280 [0,1,0,0,0,0|0,0,0]=1 214 B15R0.222 CC(O)CCCCCCCCCCC(=O)O MCULE-4292387921 [0,1,0,0,0,0|0,0,0]=1 215 B15R0.222 CS(=O)CCCCCCCCCCS(=O)C MCULE-3759004866 [0,1,0,0,0,0|3,0,0]=4 216 B15R0.222 O=C(Cl)CCCCCCCCCCC(=O)Cl MCULE-1432423564 [0,1,0,0,0,0|2,0,1]=4 217 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O MCULE-1359972581 [0,1,0,0,0,0|1,0,1]=3 218 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O MCULE-6168408668 [0,1,0,0,0,0|1,0,1]=3 219 B15R0.222 O=C([O-])CCCCCCCCCCC(=O)[O-] MCULE-7782088447 [0,1,0,0,0,0|1,0,2]=4 220 B15R0.234 CCCCCC(=O)CCCCCCC(=O)O MCULE-6960063747 [0,1,0,0,0,0|0,0,1]=2 221 B15R0.234 CCCCCC(=O)NCCCCCC(=O)O MCULE-3148394051 [0,1,0,0,0,0|1,0,1]=3 222 B15R0.247 CCC(C)CCCCCCCCCC(=O)O MCULE-8493403779 [0,1,0,0,0,0|0,0,0]=1 223 B15R0.247 COC(=O)CCCCCCCCCC(=O)O MCULE-6347713742 [0,1,0,0,0,0|1,0,1]=3 224 B15R0.252 CCCCCCCCCCCCN(=O)(C)C MCULE-8984989718 [0,1,0,0,0,0|2,0,0]=3 225 B15R0.252 CCCCCCCCCCCCP(=O)(C)C MCULE-6635022490 [0,1,0,0,0,0|2,0,0]=3 226 B15R0.252 CCCCCCCCCCCCP(=O)(O)O MCULE-4386293340 [0,1,0,0,0,0|1,0,0]=2 227 B15R0.252 CCCCCCCCCCCCS(=O)(=O)Cl MCULE-1364603769 [0,1,0,0,0,0|1,0,1]=3 228 B15R0.252 CCCCCCCCCCCCS(=O)(=O)N MCULE-3829448149 [0,1,0,0,0,0|1,0,1]=3 229 B15R0.252 CCCCCCCCCCCCS(=O)(=O)O MCULE-2609476147 [0,1,0,0,0,0|1,0,0]=2 230 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] MCULE-8547025937 [0,1,0,0,0,0|1,0,1]=3 231 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C MCULE-1017733573 [0,1,0,0,0,0|3,0,0]=4 232 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C MCULE-2462414224 [0,1,0,0,0,0|3,0,0]=4 233 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C MCULE-5700666885 [0,1,0,0,0,0|3,0,0]=4 234 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C MCULE-6889026617 [0,1,0,0,0,0|3,0,0]=4 235 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C MCULE-8009726786 [0,1,0,0,0,0|3,0,0]=4 236 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C MCULE-8554349544 [0,1,0,0,0,0|3,0,0]=4 237 B15R0.252 CCCCCCCCCCCC[N+](C)(C)N MCULE-4643283157 [0,1,0,0,0,0|3,0,0]=4 238 B15R0.252 CCCCCCCCCCCC[N+](C)(C)N MCULE-7699019277 [0,1,0,0,0,0|3,0,0]=4 239 B15R0.252 CCCCCCCCCCCC[Si](C)(C)Cl MCULE-9581783990 [0,1,0,0,0,0|2,1,0]=4 240 B15R0.252 CCCCCCCCCCCC[Si](C)(Cl)Cl MCULE-5553577966 [0,1,0,0,0,0|2,1,0]=4 241 B15R0.252 CCCCCCCCCCCC[Si](Cl)(Cl)Cl MCULE-5884128275 [0,1,0,0,0,0|2,1,0]=4 242 B15R0.252 CCCCCCCCCCCOS(=O)(=O)C MCULE-1998014909 [0,1,0,0,0,0|2,0,1]=4 243 B15R0.252 CCCCCCCCCCCOS(=O)(=O)[O-] MCULE-7806053327 [0,1,0,0,0,0|2,0,1]=4 244 B15R0.252 CCCCCCCCCCCOS(=O)(=O)[O-] MCULE-8045056638 [0,1,0,0,0,0|2,0,1]=4 245 B15R0.252 O=P(O)(O)CCCCCCCCCCCO MCULE-5197305558 [0,1,0,0,0,0|2,0,0]=3 246 B15R0.252 O=P(O)(O)CCCCCCCCCCCS MCULE-3559004156 [0,1,0,0,0,0|2,0,0]=3 247 B15R1.34 CCCCCCCCCC1OCC(O1)C MCULE-8755635049 [0,0,0,1,0,0|2,0,1]=4 248 B15R1.106 CCCCCCCCC1CCCC(=O)O1 MCULE-2792905042 [0,0,0,1,0,0|0,0,0]=1 249 B15R1.106 N#CCCCCCCC1CCCC(=O)C1 MCULE-7064486276 [0,0,0,1,0,0|2,0,1]=4 250 B15R1.6595 O=C1CCCCCCCCCCCCO1 MCULE-3692667490 [0,0,0,1,0,0|0,0,0]=1 251 B15R1.9036 CC(=O)C1=CCCCCCCCCCC1 MCULE-3433190262 [0,0,0,1,0,0|1,0,2]=4 252 B15R1.9036 CC(=O)C1CCCCCCCCCCC1 MCULE-4234840248 [0,0,0,1,0,0|1,0,0]=2 253 B15R1.9036 CC(O)C1CCCCCCCCCCC1 MCULE-1492159679 [0,0,0,1,0,0|1,0,1]=3 254 B15R1.9199 CCCCCCCCCCCCC1CO1 MCULE-3903930495 [0,0,0,1,0,0|1,0,1]=3 255 B12R0.5 BrCCCCCCCCCCCBr MCULE-7714737833 [2,0,0,0,0,0|2,0,0]=4 256 B12R0.5 C#CCCCCCCCCCCC MCULE-4966581415 [2,0,0,0,0,0|0,0,2]=4 257 B12R0.5 C#CCCCCCCCCCCO MCULE-3338769733 [2,0,0,0,0,0|0,0,2]=4 258 B12R0.5 C=CCCCCCCCCCC=O MCULE-4798960934 [2,0,0,0,0,0|0,0,2]=4 259 B12R0.5 C=CCCCCCCCCCCBr MCULE-1450832602 [2,0,0,0,0,0|1,0,1]=4 260 B12R0.5 C=CCCCCCCCCCCC MCULE-7790972998 [2,0,0,0,0,0|0,0,1]=3 261 B12R0.5 C=CCCCCCCCCCCO MCULE-9436785815 [2,0,0,0,0,0|0,0,2]=4 262 B12R0.5 C=COCCCCCCCCCC MCULE-9853638067 [2,0,0,0,0,0|1,0,1]=4 263 B12R0.5 C=CSCCCCCCCCCC MCULE-4125685210 [2,0,0,0,0,0|1,0,1]=4 264 B12R0.5 CC/C=C\CCCCCCCCO MCULE-3025560116 [2,0,0,0,0,0|0,0,2]=4 265 B12R0.5 CCC#CCCCCCCCCO MCULE-9432389600 [2,0,0,0,0,0|0,0,2]=4 266 B12R0.5 CCC/C=C\CCCCCCCO MCULE-1596799446 [2,0,0,0,0,0|0,0,2]=4 267 B12R0.5 CCC=CCCCCCCCCO MCULE-1639369196 [2,0,0,0,0,0|0,0,2]=4 268 B12R0.5 CCCC/C=C/CCCCCCO MCULE-1140179766 [2,0,0,0,0,0|0,0,2]=4 269 B12R0.5 CCCC/C=C\CCCCCCO MCULE-5650770931 [2,0,0,0,0,0|0,0,2]=4 270 B12R0.5 CCCC=CCCCCCCCO MCULE-6437929263 [2,0,0,0,0,0|0,0,2]=4 271 B12R0.5 CCCCC#CCCCCCCO MCULE-8221472970 [2,0,0,0,0,0|0,0,2]=4 272 B12R0.5 CCCCC=CCCCCCCO MCULE-6634191602 [2,0,0,0,0,0|0,0,2]=4 273 B12R0.5 CCCCCCCCC/C=C/C=O MCULE-3924650225 [2,0,0,0,0,0|0,0,2]=4 274 B12R0.5 CCCCCCCCC/C=C/CO MCULE-8437286382 [2,0,0,0,0,0|0,0,2]=4 275 B12R0.5 CCCCCCCCC=CCCO MCULE-1965044026 [2,0,0,0,0,0|0,0,2]=4 276 B12R0.5 CCCCCCCCCC#CCO MCULE-3667812839 [2,0,0,0,0,0|0,0,2]=4 277 B12R0.5 CCCCCCCCCC/C=C/I MCULE-7924200766 [2,0,0,0,0,0|1,0,1]=4 278 B12R0.5 CCCCCCCCCC=CC=O MCULE-6984246846 [2,0,0,0,0,0|0,0,2]=4 279 B12R0.5 CCCCCCCCCC=CCO MCULE-9263380318 [2,0,0,0,0,0|0,0,2]=4 280 B12R0.5 CCCCCCCCCCCC#N MCULE-4898299264 [2,0,0,0,0,0|1,0,1]=4 281 B12R0.5 CCCCCCCCCCCC=O MCULE-3814557174 [2,0,0,0,0,0|0,0,0]=2 282 B12R0.5 CCCCCCCCCCCCBr MCULE-2442495006 [2,0,0,0,0,0|1,0,0]=3 283 B12R0.5 CCCCCCCCCCCCC MCULE-7749861366 [2,0,0,0,0,0|0,0,1]=3 284 B12R0.5 CCCCCCCCCCCCCl MCULE-6025385532 [2,0,0,0,0,0|1,0,0]=3 285 B12R0.5 CCCCCCCCCCCCF MCULE-3563531940 [2,0,0,0,0,0|1,0,0]=3 286 B12R0.5 CCCCCCCCCCCCI MCULE-6449418786 [2,0,0,0,0,0|1,0,0]=3 287 B12R0.5 CCCCCCCCCCCCN MCULE-1282419209 [2,0,0,0,0,0|1,0,0]=3 288 B12R0.5 CCCCCCCCCCCCN MCULE-1312431857 [2,0,0,0,0,0|1,0,0]=3 289 B12R0.5 CCCCCCCCCCCCN MCULE-3936839656 [2,0,0,0,0,0|1,0,0]=3 290 B12R0.5 CCCCCCCCCCCCN MCULE-8497998841 [2,0,0,0,0,0|1,0,0]=3 291 B12R0.5 CCCCCCCCCCCCN MCULE-9101484482 [2,0,0,0,0,0|1,0,0]=3 292 B12R0.5 CCCCCCCCCCCCO MCULE-3423087499 [2,0,0,0,0,0|0,0,0]=2 293 B12R0.5 CCCCCCCCCCCCO MCULE-9381688904 [2,0,0,0,0,0|0,0,0]=2 294 B12R0.5 CCCCCCCCCCCCS MCULE-8388213802 [2,0,0,0,0,0|0,1,0]=3 295 B12R0.5 CCCCCCCCCCCNC MCULE-4232799137 [2,0,0,0,0,0|1,0,1]=4 296 B12R0.5 CCCCCCCCCCCNC MCULE-9324463288 [2,0,0,0,0,0|1,0,1]=4 297 B12R0.5 CCCCCCCCCCNC=O MCULE-2199641461 [2,0,0,0,0,0|1,0,0]=3 298 B12R0.5 CCCCCCCCCCSCC MCULE-4046728399 [2,0,0,0,0,0|1,0,1]=4 299 B12R0.5 CCCCCCCCCSCCO MCULE-1890346670 [2,0,0,0,0,0|1,0,0]=3 300 B12R0.5 CCCCCCCCNCCCC MCULE-6370859761 [2,0,0,0,0,0|1,0,1]=4 301 B12R0.5 CCCCCCCCNCCCN MCULE-1576630780 [2,0,0,0,0,0|2,0,0]=4 302 B12R0.5 CCCCCCCCOCCCN MCULE-3428959730 [2,0,0,0,0,0|2,0,0]=4 303 B12R0.5 CCCCCCCOCCCC=O MCULE-7580382219 [2,0,0,0,0,0|1,0,0]=3 304 B12R0.5 CCCCCCCOCCCCO MCULE-4232162406 [2,0,0,0,0,0|1,0,0]=3 305 B12R0.5 CCCCCCNCCCCCC MCULE-3670409724 [2,0,0,0,0,0|1,0,1]=4 306 B12R0.5 CCCCCCNCCCCCC MCULE-4867029659 [2,0,0,0,0,0|1,0,1]=4 307 B12R0.5 CCCCCCNCCCCCC MCULE-9932038203 [2,0,0,0,0,0|1,0,1]=4 308 B12R0.5 CCCCCCOCCCCCC MCULE-3976538682 [2,0,0,0,0,0|1,0,1]=4 309 B12R0.5 CCCCCCOCCOCCO MCULE-8195636539 [2,0,0,0,0,0|2,0,0]=4 310 B12R0.5 CCCCCCSCCCCCC MCULE-2928486782 [2,0,0,0,0,0|1,0,1]=4 311 B12R0.5 CCCCCCSCCOCCO MCULE-3415483366 [2,0,0,0,0,0|2,0,0]=4 312 B12R0.5 CCCOCCCCCCCCO MCULE-6159515912 [2,0,0,0,0,0|1,0,0]=3 313 B12R0.5 CCOCCCCCCCCCBr MCULE-4453801533 [2,0,0,0,0,0|2,0,0]=4 314 B12R0.5 CCOCCCCCCCCCO MCULE-6343777651 [2,0,0,0,0,0|1,0,0]=3 315 B12R0.5 ICCCCCCCCCCCI MCULE-1394798562 [2,0,0,0,0,0|2,0,0]=4 316 B12R0.5 NCCCCCCCCCCCN MCULE-2996124008 [2,0,0,0,0,0|2,0,0]=4 317 B12R0.5 NCCCCCCCCCCCO MCULE-5135515993 [2,0,0,0,0,0|1,0,0]=3 318 B12R0.5 NCCCCCCCCCCCS MCULE-2278372977 [2,0,0,0,0,0|1,1,0]=4 319 B12R0.5 NCCCCCCCCCCCS MCULE-7023358275 [2,0,0,0,0,0|1,1,0]=4 320 B12R0.5 O=CCCCCCCCCCCBr MCULE-8057974781 [2,0,0,0,0,0|1,0,0]=3 321 B12R0.5 OCCCCCCCCCCCBr MCULE-5881088914 [2,0,0,0,0,0|1,0,0]=3 322 B12R0.5 OCCCCCCCCCCCO MCULE-6987509130 [2,0,0,0,0,0|1,0,0]=3 323 B12R0.5 OCCCCCCCCCCCS MCULE-4791107478 [2,0,0,0,0,0|1,0,0]=3 324 B12R0.5 OCCCCCOCCCCCO MCULE-5243842214 [2,0,0,0,0,0|2,0,0]=4 325 B12R0.5 OCCCCCSCCCCCO MCULE-3316565485 [2,0,0,0,0,0|2,0,0]=4 326 B12R0.5 SCCCCCCCCCCCBr MCULE-7291453493 [2,0,0,0,0,0|1,1,0]=4 327 B12R0.5 [NH2+](CCCC)CCCCCCCC MCULE-9696707679 [2,0,0,0,0,0|1,0,1]=4 328 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [2,0,0,0,0,0|0,0,2]=4 329 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [2,0,0,0,0,0|2,0,0]=4 330 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [2,0,0,0,0,0|2,0,0]=4 331 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [2,0,0,0,0,0|2,0,0]=4 332 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [2,0,0,0,0,0|0,0,2]=4 333 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [2,0,0,0,0,0|0,0,2]=4 334 B12R0.234 CCCCCCCC/C=C/C(=O)O MCULE-6786701242 [2,0,0,0,0,0|0,0,2]=4 335 B12R0.234 CCCCCCCCC=CC(=O)O MCULE-7750983255 [2,0,0,0,0,0|0,0,2]=4 336 B12R0.234 CCCCCCCCCCB(O)O MCULE-6277841305 [2,0,0,0,0,0|1,0,1]=4 337 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [2,0,0,0,0,0|1,0,0]=3 338 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [2,0,0,0,0,0|1,0,0]=3 339 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [2,0,0,0,0,0|1,0,0]=3 340 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [2,0,0,0,0,0|0,0,0]=2 341 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [2,0,0,0,0,0|1,0,1]=4 342 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [2,0,0,0,0,0|1,0,1]=4 343 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [2,0,0,0,0,0|2,0,0]=4 344 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [2,0,0,0,0,0|2,0,0]=4 345 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [2,0,0,0,0,0|2,0,0]=4 346 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [2,0,0,0,0,0|1,0,0]=3 347 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [2,0,0,0,0,0|2,0,0]=4 348 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [2,0,0,0,0,0|1,0,0]=3 349 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [2,0,0,0,0,0|1,0,0]=3 350 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [2,0,0,0,0,0|1,0,0]=3 351 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [2,0,0,0,0,0|2,0,0]=4 352 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [2,0,0,0,0,0|1,0,0]=3 353 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [2,0,0,0,0,0|1,0,1]=4 354 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [2,0,0,0,0,0|1,0,0]=3 355 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [2,0,0,0,0,0|1,0,0]=3 356 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [2,0,0,0,0,0|1,0,0]=3 357 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [2,0,0,0,0,0|1,0,0]=3 358 B14R0.2 CCCCCCCC(=O)CCCC(=O)O MCULE-7869619246 [1,1,0,0,0,0|0,0,1]=3 359 B14R0.2 CCCCCCCC(=O)NCCC(=O)O MCULE-8282090533 [1,1,0,0,0,0|1,0,1]=4 360 B14R0.2 CCCCCCCC(O)CCCC(=O)O MCULE-5858594058 [1,1,0,0,0,0|0,0,0]=2 361 B14R0.68 CC(=O)CCCCCCCCCC(=O)O MCULE-2777579719 [1,1,0,0,0,0|0,0,1]=3 362 B14R0.68 CC(=O)NCCCCCCCCC(=O)O MCULE-6693735666 [1,1,0,0,0,0|1,0,1]=4 363 B14R0.68 CC(C)CCCCCCC/C=C\C(=O)O MCULE-6085372462 [1,1,0,0,0,0|0,0,2]=4 364 B14R0.68 CC(C)CCCCCCCC=CC(=O)O MCULE-2095727186 [1,1,0,0,0,0|0,0,2]=4 365 B14R0.68 CC(C)CCCCCCCCCC(=O)O MCULE-8259958688 [1,1,0,0,0,0|0,0,0]=2 366 B14R0.68 CC(O)CCCCCCCCCC(=O)O MCULE-5368688925 [1,1,0,0,0,0|0,0,0]=2 367 B14R0.68 O=C(O)CCCCCCCCCC(=O)O MCULE-3587613382 [1,1,0,0,0,0|1,0,1]=4 368 B14R0.88 CCCCCCCCCCCP(=O)(O)O MCULE-1217279150 [1,1,0,0,0,0|1,0,0]=3 369 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-3066318526 [1,1,0,0,0,0|1,0,1]=4 370 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-7737058858 [1,1,0,0,0,0|1,0,1]=4 371 B14R0.88 CCCCCCCCCCOP(=O)(O)O MCULE-6182561553 [1,1,0,0,0,0|2,0,0]=4 372 B14R0.88 CCCCCCCCCCOP(=O)([O-])O MCULE-7698287185 [1,1,0,0,0,0|2,0,0]=4 373 B14R0.88 CCCCCCCCCCOS(=O)(=O)O MCULE-5411467830 [1,1,0,0,0,0|2,0,0]=4 374 B14R0.88 NCCCCCCCCCCP(=O)(O)O MCULE-5353498495 [1,1,0,0,0,0|2,0,0]=4 375 B14R0.88 NCCCCCCCCCCP(=O)(O)O MCULE-8370982773 [1,1,0,0,0,0|2,0,0]=4 376 B14R0.88 O=P(O)(O)CCCCCCCCCCBr MCULE-8137402085 [1,1,0,0,0,0|2,0,0]=4 377 B14R0.153 CCCCC(=O)CCCCCCC(=O)O MCULE-9203558568 [1,1,0,0,0,0|0,0,1]=3 378 B14R0.153 CCCCC(O)CCCCCCC(=O)O MCULE-9749358521 [1,1,0,0,0,0|0,0,0]=2 379 B14R0.231 CCCCCC(=O)CCCCCC(=O)O MCULE-3463709825 [1,1,0,0,0,0|0,0,1]=3 380 B14R0.231 CCCCCC(=O)NCCCCC(=O)O MCULE-9650195842 [1,1,0,0,0,0|1,0,1]=4 381 B14R0.231 CCCCCC(O)CCCCCC(=O)O MCULE-1531878545 [1,1,0,0,0,0|0,0,0]=2 382 B14R0.305 CCC(=O)CCCCCCCCC(=O)O MCULE-6679639032 [1,1,0,0,0,0|0,0,1]=3 383 B14R0.305 CCC(C)CCCCCCCCC(=O)O MCULE-9730846585 [1,1,0,0,0,0|0,0,0]=2 384 B14R0.305 COC(=O)CCCCCCCCC(=O)O MCULE-8938642997 [1,1,0,0,0,0|1,0,1]=4 385 B14R0.305 O=C(O)CCCCCCCCC(O)CO MCULE-9638168645 [1,1,0,0,0,0|1,0,0]=3 386 B14R0.337 C#CC(O)CCCCCCCCCCC MCULE-1894988558 [1,1,0,0,0,0|1,0,1]=4 387 B14R0.337 C#CCCCCCCCCCC(=O)OC MCULE-2600718880 [1,1,0,0,0,0|0,0,2]=4 388 B14R0.337 C=CC(=O)OCCCCCCCCCC MCULE-3709831969 [1,1,0,0,0,0|2,0,0]=4 389 B14R0.337 C=CCCCCCCCCCC(=O)OC MCULE-1906791288 [1,1,0,0,0,0|0,0,2]=4 390 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-5898572032 [1,1,0,0,0,0|1,0,0]=3 391 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-8778239925 [1,1,0,0,0,0|1,0,0]=3 392 B14R0.337 CCCCCCCCCCCC(=O)CC MCULE-2582968261 [1,1,0,0,0,0|1,0,0]=3 393 B14R0.337 CCCCCCCCCCCC(=O)NC MCULE-2342575514 [1,1,0,0,0,0|1,0,0]=3 394 B14R0.337 CCCCCCCCCCCC(=O)NN MCULE-7169996147 [1,1,0,0,0,0|1,0,0]=3 395 B14R0.337 CCCCCCCCCCCC(=O)OC MCULE-5588995078 [1,1,0,0,0,0|0,0,0]=2 396 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-2365829470 [1,1,0,0,0,0|1,0,1]=4 397 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-3278971603 [1,1,0,0,0,0|1,0,1]=4 398 B14R0.337 CCCCCCCCCCNC(=O)CBr MCULE-9700566039 [1,1,0,0,0,0|2,0,0]=4 399 B14R0.337 CCCCCCCCCCNC(=O)CCl MCULE-9148882207 [1,1,0,0,0,0|2,0,0]=4 400 B14R0.337 CCCCCCCCCCOC(=O)CC MCULE-5080633291 [1,1,0,0,0,0|2,0,0]=4 401 B14R0.337 CCCCCCCCCCOC(=O)CCl MCULE-7984482986 [1,1,0,0,0,0|2,0,0]=4 402 B14R0.337 CCCCCCCCCCOC(=O)CN MCULE-5542693903 [1,1,0,0,0,0|2,0,0]=4 403 B14R0.337 CCCCCCCCNCCC(=O)OC MCULE-3052571159 [1,1,0,0,0,0|1,0,0]=3 404 B14R0.337 COC(=O)CCCCCCCCCCBr MCULE-8632429257 [1,1,0,0,0,0|1,0,0]=3 405 B14R0.337 COC(=O)CCCCCCCCCCCl MCULE-4470603458 [1,1,0,0,0,0|1,0,0]=3 406 B14R0.337 COC(=O)CCCCCCCCCCI MCULE-2171087302 [1,1,0,0,0,0|1,0,0]=3 407 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-5833366967 [1,1,0,0,0,0|1,0,0]=3 408 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-9980770025 [1,1,0,0,0,0|1,0,0]=3 409 B14R0.340 CCCCCCCCCCC(Br)C(=O)O MCULE-8612961366 [1,1,0,0,0,0|0,0,0]=2 410 B14R0.340 CCCCCCCCCCC(C)C(=O)O MCULE-9255156956 [1,1,0,0,0,0|0,0,0]=2 411 B14R0.340 CCCCCCCCCCC(Cl)C(=O)O MCULE-6251475162 [1,1,0,0,0,0|0,0,0]=2 412 B14R0.340 CCCCCCCCCCC(N)C(=O)O MCULE-3310366500 [1,1,0,0,0,0|0,0,0]=2 413 B14R0.340 CCCCCCCCCCC(O)C(=O)O MCULE-5171743084 [1,1,0,0,0,0|0,0,0]=2 414 B14R0.340 CCCCCCCCCC[C@@H](N)C(=O)O MCULE-6652767353 [1,1,0,0,0,0|0,0,0]=2 415 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-4936998730 [1,1,0,0,0,0|0,0,0]=2 416 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-6114365319 [1,1,0,0,0,0|0,0,0]=2 417 B14R0.340 NCCCCNCCCC[C@H](N)C(=O)O MCULE-6406203156 [1,1,0,0,0,0|2,0,0]=4 418 B14R0.344 CCCCCCCCC(=O)CCC(=O)O MCULE-8037408561 [1,1,0,0,0,0|0,0,1]=3 419 B14R0.344 CCCCCCCCC(C)CCC(=O)O MCULE-9191627113 [1,1,0,0,0,0|0,0,0]=2 420 B14R0.344 CCCCCCCCC(O)CCC(=O)O MCULE-6470944503 [1,1,0,0,0,0|0,0,0]=2 421 B14R0.344 CCCCCCCCC(O)CCC(=O)[O-] MCULE-2857603909 [1,1,0,0,0,0|0,0,1]=3 422 B14R0.344 CCCCCCCCS(=O)CCC(=O)N MCULE-4064667650 [1,1,0,0,0,0|2,0,0]=4 423 B14R0.344 CCCCCCCCS(=O)CCC(=O)O MCULE-6503950443 [1,1,0,0,0,0|1,0,0]=3 424 B14R0.344 CCCCCCCNC(=O)CCC(=O)O MCULE-7895735111 [1,1,0,0,0,0|1,0,1]=4 425 B14R0.391 CCCCCC/C=C\CC(O)CC(=O)O MCULE-2404322318 [1,1,0,0,0,0|0,0,2]=4 426 B14R0.391 CCCCCCCCCC(C)CC(=O)O MCULE-2198601753 [1,1,0,0,0,0|0,0,0]=2 427 B14R0.391 CCCCCCCCCC(O)CC(=O)O MCULE-8054557225 [1,1,0,0,0,0|0,0,0]=2 428 B14R0.391 CCCCCCCCC[C@@H](O)CC(=O)O MCULE-9862158900 [1,1,0,0,0,0|0,0,0]=2 429 B14R0.391 CCCCCCCCNC(=O)CC(=O)O MCULE-5427245082 [1,1,0,0,0,0|1,0,1]=4 430 B14R0.2224 CCCCCCC(O)CCCCC(=O)O MCULE-1514435932 [1,1,0,0,0,0|0,0,0]=2 431 B14R0.145 CCCCCCCC(O)CCCCCC MCULE-4019916999 [1,1,0,0,0,0|1,0,1]=4 432 B14R0.179 CCCCCCCCS(=O)CCCCO MCULE-8423512440 [1,1,0,0,0,0|1,0,1]=4 433 B14R0.392 C#CCCCCCCCCCCCCC MCULE-5224279000 [1,1,0,0,0,0|1,0,1]=4 434 B14R0.392 C(=CCCCCCCCCO)CCCC MCULE-7344947468 [1,1,0,0,0,0|0,0,2]=4 435 B14R0.392 C=CCCCCCCCC#CCCCC MCULE-2827748131 [1,1,0,0,0,0|1,0,1]=4 436 B14R0.392 C=CCCCCCCCCCCCCBr MCULE-4861537594 [1,1,0,0,0,0|1,0,0]=3 437 B14R0.392 C=CCCCCCCCCCCCCC MCULE-8648825393 [1,1,0,0,0,0|1,0,0]=3 438 B14R0.392 C=CCCCCCCCCCCCCO MCULE-4486162306 [1,1,0,0,0,0|1,0,0]=3 439 B14R0.392 C=COCCCCCCCCCCCC MCULE-1459857080 [1,1,0,0,0,0|1,0,0]=3 440 B14R0.392 CC/C=C/CCCCCCCCCC=O MCULE-2385351310 [1,1,0,0,0,0|0,0,1]=3 441 B14R0.392 CC/C=C/CCCCCCCCCCO MCULE-6147260229 [1,1,0,0,0,0|0,0,2]=4 442 B14R0.392 CC/C=C\CCCCCCCCCCO MCULE-2734666708 [1,1,0,0,0,0|0,0,2]=4 443 B14R0.392 CCC#CCCCCCCCCCCO MCULE-8364905746 [1,1,0,0,0,0|0,0,2]=4 444 B14R0.392 CCC=CCCCCCCCCCC=O MCULE-2282950568 [1,1,0,0,0,0|0,0,1]=3 445 B14R0.392 CCC=CCCCCCCCCCCO MCULE-6860357182 [1,1,0,0,0,0|0,0,2]=4 446 B14R0.392 CCCC/C=C\CCCCCCCCO MCULE-2201463992 [1,1,0,0,0,0|0,0,2]=4 447 B14R0.392 CCCCCCC=CCCCCCC=O MCULE-7363296204 [1,1,0,0,0,0|0,0,1]=3 448 B14R0.392 CCCCCCCC/C=C/CCCCO MCULE-8626799878 [1,1,0,0,0,0|0,0,2]=4 449 B14R0.392 CCCCCCCC/C=C\CCCCO MCULE-7811688274 [1,1,0,0,0,0|0,0,2]=4 450 B14R0.392 CCCCCCCCC=CCCCCO MCULE-3595383050 [1,1,0,0,0,0|0,0,2]=4 451 B14R0.392 CCCCCCCCCCC#CCCO MCULE-7991598519 [1,1,0,0,0,0|0,0,2]=4 452 B14R0.392 CCCCCCCCCCCCCC#N MCULE-7152326235 [1,1,0,0,0,0|1,0,1]=4 453 B14R0.392 CCCCCCCCCCCCCC=O MCULE-7550121675 [1,1,0,0,0,0|0,0,0]=2 454 B14R0.392 CCCCCCCCCCCCCCBr MCULE-9737491714 [1,1,0,0,0,0|1,0,1]=4 455 B14R0.392 CCCCCCCCCCCCCCC MCULE-1292711626 [1,1,0,0,0,0|1,0,1]=4 456 B14R0.392 CCCCCCCCCCCCCCCl MCULE-4738230795 [1,1,0,0,0,0|1,0,1]=4 457 B14R0.392 CCCCCCCCCCCCCCF MCULE-9767518415 [1,1,0,0,0,0|1,0,1]=4 458 B14R0.392 CCCCCCCCCCCCCCN MCULE-8592595177 [1,1,0,0,0,0|1,0,1]=4 459 B14R0.392 CCCCCCCCCCCCCCO MCULE-8719320111 [1,1,0,0,0,0|0,0,1]=3 460 B14R0.392 CCCCCCCCCCCCCCS MCULE-5679876747 [1,1,0,0,0,0|0,1,1]=4 461 B14R0.392 CCCCCCCCCCCCC[NH2+]C MCULE-4777104073 [1,1,0,0,0,0|1,0,1]=4 462 B14R0.392 CCCCCCCCCCCCC[NH2+]C MCULE-6540647325 [1,1,0,0,0,0|1,0,1]=4 463 B14R0.392 CCCCCCCCCCCCN=C=O MCULE-6525738732 [1,1,0,0,0,0|0,0,1]=3 464 B14R0.392 CCCCCCCCCCCCN=C=S MCULE-5639549655 [1,1,0,0,0,0|0,1,1]=4 465 B14R0.392 CCCCCCCCCCCCN=N#N MCULE-4906434307 [1,1,0,0,0,0|2,0,0]=4 466 B14R0.392 CCCCCCCCCCCCNC=O MCULE-2685945212 [1,1,0,0,0,0|0,0,0]=2 467 B14R0.392 CCCCCCCCCCCCNCC MCULE-6669418249 [1,1,0,0,0,0|1,0,1]=4 468 B14R0.392 CCCCCCCCCCCCOC=O MCULE-6493174878 [1,1,0,0,0,0|0,0,0]=2 469 B14R0.392 CCCCCCCCCCCCSC#N MCULE-1758849726 [1,1,0,0,0,0|1,0,1]=4 470 B14R0.392 CCCCCCCCCCCCSCC MCULE-3847929623 [1,1,0,0,0,0|1,0,1]=4 471 B14R0.392 CCCCCCCCCCCNCCC MCULE-2740020624 [1,1,0,0,0,0|1,0,1]=4 472 B14R0.392 CCCCCCCCCCCOCCO MCULE-9070806750 [1,1,0,0,0,0|0,0,1]=3 473 B14R0.392 CCCCCCCCCCOCCC#N MCULE-1226038227 [1,1,0,0,0,0|1,0,1]=4 474 B14R0.392 CCCCCCCCCCOCCCN MCULE-5521116196 [1,1,0,0,0,0|1,0,1]=4 475 B14R0.392 CCCCCCCCCCOCCC[NH3+] MCULE-4032173132 [1,1,0,0,0,0|1,0,1]=4 476 B14R0.392 CCCCCCCCCCSCCCO MCULE-8768496784 [1,1,0,0,0,0|0,0,1]=3 477 B14R0.392 CCCCCCCCCNCCCCC MCULE-6073560034 [1,1,0,0,0,0|1,0,1]=4 478 B14R0.392 CCCCCCCCC[NH2+]CCCCC MCULE-8442579178 [1,1,0,0,0,0|1,0,1]=4 479 B14R0.392 CCCCCCCCNCCCCCC MCULE-1148069991 [1,1,0,0,0,0|1,0,1]=4 480 B14R0.392 CCCCCCCCOCCOCCO MCULE-1601729359 [1,1,0,0,0,0|1,0,1]=4 481 B14R0.392 CCCCCCCCSCCOCCO MCULE-7061985127 [1,1,0,0,0,0|1,0,1]=4 482 B14R0.392 CCCCCCCNCCCCCCC MCULE-8281252980 [1,1,0,0,0,0|1,0,1]=4 483 B14R0.392 CCCCCCCOCCCCCCC MCULE-7411737646 [1,1,0,0,0,0|1,0,1]=4 484 B14R0.392 CCCCCCCSCCCCCCC MCULE-8546717040 [1,1,0,0,0,0|1,0,1]=4 485 B14R0.392 OCCCCCCCCCCCCCBr MCULE-1397457487 [1,1,0,0,0,0|0,0,1]=3 486 B14R0.392 OCCCCCCCCCCCCCO MCULE-9763203178 [1,1,0,0,0,0|0,0,1]=3 487 B14R0.392 [NH2+](CC)CCCCCCCCCCCC MCULE-2677553062 [1,1,0,0,0,0|1,0,1]=4 488 B14R0.392 [NH2+](CCC)CCCCCCCCCCC MCULE-1566613456 [1,1,0,0,0,0|1,0,1]=4 489 B14R0.393 C=CCC(C)CCCCCCCCCC MCULE-2252205948 [1,1,0,0,0,0|1,0,0]=3 490 B14R0.393 CCCCCCCCCCN(C)CCO MCULE-3497889898 [1,1,0,0,0,0|1,0,1]=4 491 B14R0.393 CCCCCCCCCCS(=O)CCO MCULE-6360797475 [1,1,0,0,0,0|1,0,1]=4 492 B14R0.393 CCOC(=O)CCCCCCCCC=O MCULE-1701011376 [1,1,0,0,0,0|1,0,1]=4 493 B16R0.60 CC(=O)NCCCCCCCC(C)CC(=O)O MCULE-2223455697 [0,2,0,0,0,0|1,0,1]=4 494 B16R0.302 CCCCCCCCCCCC(=O)NC(=O)N MCULE-6859082771 [0,2,0,0,0,0|1,0,1]=4 495 B16R0.302 CCCCCCCCCCCC(C)CC(=O)O MCULE-2991345155 [0,2,0,0,0,0|0,0,0]=2 496 B16R0.302 CCCCCCCCCCCC(O)CC(=O)O MCULE-4756542974 [0,2,0,0,0,0|0,0,0]=2 497 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O MCULE-1246941080 [0,2,0,0,0,0|0,0,0]=2 498 B16R0.302 CCCCCCCCCCOC(=O)CC(=O)C MCULE-4216674513 [0,2,0,0,0,0|1,0,1]=4 499 B16R0.1182 CCCCCCCCCCC(O)CC(=O)OC MCULE-1948600018 [0,2,0,0,0,0|0,0,0]=2 500 B16R0.1182 CCCCCCCCCC[C@@H](O)CC(=O)OC MCULE-4453079421 [0,2,0,0,0,0|0,0,0]=2 501 B16R0.1203 CCCCCCCCCC(=O)N(C)CC(=O)O MCULE-5205042760 [0,2,0,0,0,0|1,0,1]=4 502 B16R0.61 CCCCCCCCCCCCC(=O)CCC MCULE-4895448580 [0,2,0,0,0,0|1,0,0]=3 503 B16R0.61 CCCCCCCCCCCCC(=O)OCC MCULE-8945154638 [0,2,0,0,0,0|0,0,0]=2 504 B16R0.61 CCCCCCCCCCCCC(=O)OCCl MCULE-1444257922 [0,2,0,0,0,0|0,0,0]=2 505 B16R0.61 CCCCCCCCCCCCC(O)CCC MCULE-2703285953 [0,2,0,0,0,0|1,0,1]=4 506 B16R0.61 CCCCCCCCCCCCC(O)CCO MCULE-9666170119 [0,2,0,0,0,0|0,0,2]=4 507 B16R0.61 CCOC(=O)CCCCCCCCCCCBr MCULE-8542798971 [0,2,0,0,0,0|1,0,0]=3 508 B16R0.61 CCOC(=O)CCCCCCCCCCCN MCULE-2649272831 [0,2,0,0,0,0|1,0,0]=3 509 B16R0.61 CCOC(=O)CCCCCCCCCCCN MCULE-6362464632 [0,2,0,0,0,0|1,0,0]=3 510 B16R0.61 CCSC(=O)CCCCCCCCCCCO MCULE-6080213440 [0,2,0,0,0,0|1,1,0]=4 511 B16R0.164 CCC(C)CCCCCCCCCC(=O)OC MCULE-3200849129 [0,2,0,0,0,0|0,0,0]=2 512 B16R0.164 COC(=O)CCCCCCCCCC(=O)OC MCULE-1501744824 [0,2,0,0,0,0|1,0,1]=4 513 B16R0.165 CCC(C)CCCCCCCCCCC(=O)O MCULE-7822234238 [0,2,0,0,0,0|0,0,0]=2 514 B16R0.165 CC[C@@H](C)CCCCCCCCCCC(=O)O MCULE-6272236651 [0,2,0,0,0,0|0,0,0]=2 515 B16R0.165 COC(=O)CCCCCCCCCCC(=O)Cl MCULE-9470204504 [0,2,0,0,0,0|1,0,1]=4 516 B16R0.165 COC(=O)CCCCCCCCCCC(=O)N MCULE-1607971907 [0,2,0,0,0,0|1,0,1]=4 517 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O MCULE-4901379479 [0,2,0,0,0,0|0,0,1]=3 518 B16R0.165 COC(=O)CCCCCCCCCCC(C)C MCULE-2765994462 [0,2,0,0,0,0|0,0,0]=2 519 B16R0.221 C=CC(=O)NCCCCCCCCCCCC MCULE-9950730044 [0,2,0,0,0,0|1,0,0]=3 520 B16R0.221 C=CC(=O)OCCCCCCCCCCCC MCULE-2937609730 [0,2,0,0,0,0|1,0,0]=3 521 B16R0.221 CCCCC=CCCCCCCCC(=O)OC MCULE-6534469638 [0,2,0,0,0,0|0,0,1]=3 522 B16R0.221 CCCCCCCCCCCCCC(=O)CC MCULE-9117802063 [0,2,0,0,0,0|1,0,0]=3 523 B16R0.221 CCCCCCCCCCCCCC(=O)NN MCULE-3612607907 [0,2,0,0,0,0|1,0,0]=3 524 B16R0.221 CCCCCCCCCCCCCC(=O)OC MCULE-3729213959 [0,2,0,0,0,0|0,0,0]=2 525 B16R0.221 CCCCCCCCCCCCCC(N)CO MCULE-6569333741 [0,2,0,0,0,0|1,0,1]=4 526 B16R0.221 CCCCCCCCCCCCCC(N)CO MCULE-9950796518 [0,2,0,0,0,0|1,0,1]=4 527 B16R0.221 CCCCCCCCCCCCCC(O)CC MCULE-3941630395 [0,2,0,0,0,0|1,0,1]=4 528 B16R0.221 CCCCCCCCCCCCNC(=O)CC MCULE-4783922420 [0,2,0,0,0,0|1,0,0]=3 529 B16R0.221 CCCCCCCCCCCCNC(=O)CCl MCULE-4529382467 [0,2,0,0,0,0|1,0,0]=3 530 B16R0.221 CCCCCCCCCCCCNC(=S)NN MCULE-5381270237 [0,2,0,0,0,0|1,1,0]=4 531 B16R0.221 CCCCCCCCCCCCOC(=O)CBr MCULE-2483808028 [0,2,0,0,0,0|1,0,0]=3 532 B16R0.221 CCCCCCCCCCCCOC(=O)CC MCULE-8247406436 [0,2,0,0,0,0|1,0,0]=3 533 B16R0.221 CCCCCCCCCCCCOC(=O)CCl MCULE-6379931852 [0,2,0,0,0,0|1,0,0]=3 534 B16R0.221 CCCCCCCCCCCCOC(=O)CN MCULE-5189541815 [0,2,0,0,0,0|1,0,0]=3 535 B16R0.221 CCCCCCCCCCCCOC(=O)CN MCULE-8545291130 [0,2,0,0,0,0|1,0,0]=3 536 B16R0.221 CCCCCCCCCCCCOC(=O)CS MCULE-8899893008 [0,2,0,0,0,0|0,1,0]=3 537 B16R0.221 CCCCCCCCCCCCS/C(=N/C)/N MCULE-2953617930 [0,2,0,0,0,0|2,0,0]=4 538 B16R0.221 CCCCCCCCCCCCS/C(=N/C)/N MCULE-4652535696 [0,2,0,0,0,0|2,0,0]=4 539 B16R0.221 COC(=O)CCCCCCCCCCCCBr MCULE-1167427070 [0,2,0,0,0,0|0,0,0]=2 540 B16R0.221 COC(=O)CCCCCCCCCCN=N#N MCULE-2789691091 [0,2,0,0,0,0|2,0,0]=4 541 B16R0.222 CCCCCCCCCCCCC(CC)CO MCULE-4454560055 [0,2,0,0,0,0|1,0,1]=4 542 B16R0.222 CCCCCCCCCCCCC(CO)CO MCULE-5906106129 [0,2,0,0,0,0|0,0,2]=4 543 B16R0.224 CCCCCCCCCCCCC(Br)C(=O)O MCULE-5819916240 [0,2,0,0,0,0|0,0,0]=2 544 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C MCULE-3149404714 [0,2,0,0,0,0|1,0,0]=3 545 B16R0.224 CCCCCCCCCCCCC(C)C(=O)O MCULE-3088988040 [0,2,0,0,0,0|0,0,0]=2 546 B16R0.224 CCCCCCCCCCCCC(O)C(=O)O MCULE-8369309534 [0,2,0,0,0,0|0,0,0]=2 547 B16R0.224 CCCCCCCCCCCC[C@H](N)C(=O)O MCULE-9531094866 [0,2,0,0,0,0|0,0,0]=2 548 B16R0.224 CCCCCCCCCCC[NH2+]C(C)C(=O)O MCULE-2434900409 [0,2,0,0,0,0|0,0,0]=2 549 B16R0.224 CCCCCCCCCCC[NH2+]C(C)C(=O)O MCULE-7471369626 [0,2,0,0,0,0|0,0,0]=2 550 B16R0.806 COC(=O)CCCCCCCCC(O)CNO MCULE-2676110608 [0,2,0,0,0,0|2,0,0]=4 551 B16R0.3292 C=CS(=O)(=O)CCCCCCCCCCCC MCULE-9700338358 [0,2,0,0,0,0|1,0,1]=4 552 B16R0.3292 CCCCCCCCCCCCC(C)(O)CC MCULE-9742379555 [0,2,0,0,0,0|1,0,1]=4 553 B16R0.3292 CCCCCCCCCCCCS(=O)(=O)NN MCULE-5450012538 [0,2,0,0,0,0|1,0,1]=4 554 B16R0.6606 CCCCCCCCCC(C)COC(=O)CCl MCULE-9249023461 [0,2,0,0,0,0|2,0,0]=4 555 B16R0.1191 CCCCCCCCCC(=O)NC(C)C(=O)O MCULE-6257507103 [0,2,0,0,0,0|1,0,1]=4 556 B16R0.2265 NC(CCCCCCCCCC(=O)O)C(=O)O MCULE-5284022260 [0,2,0,0,0,0|1,0,1]=4 557 B16R0.3183 CCCCCCCCCCS(=O)CCC(=O)O MCULE-1262811260 [0,2,0,0,0,0|0,0,0]=2 558 B16R0.6602 CCCCCCCCCS(=O)(=O)NCC(=O)O MCULE-9788219700 [0,2,0,0,0,0|2,0,0]=4 559 B16R0.131 CCCCC(=O)CCCCCCCCC(=O)O MCULE-7754358047 [0,2,0,0,0,0|0,0,0]=2 560 B16R0.131 CCCCC(O)CCCCCCCCC(=O)O MCULE-5323254369 [0,2,0,0,0,0|0,0,0]=2 561 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)O MCULE-8026963437 [0,2,0,0,0,0|0,0,0]=2 562 B16R0.1820 CCCCCCCCC(O)CCCCC(=O)O MCULE-6832728953 [0,2,0,0,0,0|0,0,0]=2 563 B16R0.1820 CCCCCCCCS(=O)CCCCC(=O)O MCULE-4893444874 [0,2,0,0,0,0|0,0,0]=2 564 B16R0.4657 NC(CCCCCC(=O)O)CCCCC(=O)O MCULE-1147234715 [0,2,0,0,0,0|1,0,1]=4 565 B16R0.4657 NC(CCCCCC(=O)O)CCCCC(=O)O MCULE-3312704262 [0,2,0,0,0,0|1,0,1]=4 566 B16R0.41 CCCC(O)CCCCCCCCCC(=O)O MCULE-1937957199 [0,2,0,0,0,0|0,0,0]=2 567 B16R0.177 CCCCCCC(=O)CCCCCCC(=O)O MCULE-4503353213 [0,2,0,0,0,0|0,0,0]=2 568 B16R0.177 CCCCCCC(O)CCCCCCC(=O)O MCULE-5389070847 [0,2,0,0,0,0|0,0,0]=2 569 B16R0.177 NCCCCCC(=O)NCCCCCC(=O)O MCULE-6126924523 [0,2,0,0,0,0|1,0,1]=4 570 B16R0.274 C=CCCCCCCCCCCCCC(=O)O MCULE-1403801057 [0,2,0,0,0,0|0,0,0]=2 571 B16R0.274 CCCCC=CCCCCCCCCC(=O)O MCULE-4211765208 [0,2,0,0,0,0|0,0,0]=2 572 B16R0.274 CCCCCCCCC=CCCCOC(=O)C MCULE-1762005887 [0,2,0,0,0,0|1,0,1]=4 573 B16R0.274 CCCCCCCCCCCCCCB(O)O MCULE-3614309342 [0,2,0,0,0,0|1,0,1]=4 574 B16R0.274 CCCCCCCCCCCCCCC(=O)C MCULE-2580004145 [0,2,0,0,0,0|1,0,0]=3 575 B16R0.274 CCCCCCCCCCCCCCC(=O)Cl MCULE-8745106680 [0,2,0,0,0,0|1,0,0]=3 576 B16R0.274 CCCCCCCCCCCCCCC(=O)N MCULE-6897989236 [0,2,0,0,0,0|1,0,0]=3 577 B16R0.274 CCCCCCCCCCCCCCC(=O)O MCULE-3630464562 [0,2,0,0,0,0|0,0,0]=2 578 B16R0.274 CCCCCCCCCCCCCCC(C)O MCULE-8477286739 [0,2,0,0,0,0|1,0,1]=4 579 B16R0.274 CCCCCCCCCCCCCCN(=O)=O MCULE-8122338188 [0,2,0,0,0,0|1,0,1]=4 580 B16R0.274 CCCCCCCCCCCCCOB(O)O MCULE-6853722078 [0,2,0,0,0,0|1,0,1]=4 581 B16R0.274 CCCCCCCCCCCCCOC(=O)C MCULE-3462383419 [0,2,0,0,0,0|1,0,0]=3 582 B16R0.274 CCCCCCCCCCCCNCC(=O)O MCULE-7069020402 [0,2,0,0,0,0|0,0,0]=2 583 B16R0.274 CCCCCCCCCCCCOCC(=O)O MCULE-5186628423 [0,2,0,0,0,0|0,0,0]=2 584 B16R0.274 CCCCCCCCCCCCSCC(=O)O MCULE-8937853494 [0,2,0,0,0,0|0,0,0]=2 585 B16R0.274 CCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2182837845 [0,2,0,0,0,0|0,0,0]=2 586 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-2947320698 [0,2,0,0,0,0|0,0,0]=2 587 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-5076653771 [0,2,0,0,0,0|0,0,0]=2 588 B16R0.274 CCCCCCCCCCSCCSC(=N)N MCULE-1456754521 [0,2,0,0,0,0|2,0,0]=4 589 B16R0.274 CCCCCCCCCCSCCSC(=N)N MCULE-3136429452 [0,2,0,0,0,0|2,0,0]=4 590 B16R0.274 CCCCCCCCCCSCCSC(=N)N MCULE-3465361400 [0,2,0,0,0,0|2,0,0]=4 591 B16R0.274 COCCOCCOCCOCCCC(=O)O MCULE-1510792205 [0,2,0,0,0,0|2,0,0]=4 592 B16R0.274 N#N=NCCCCCCCCCCCC(=O)O MCULE-2436331538 [0,2,0,0,0,0|1,0,0]=3 593 B16R0.274 NCCCCCCCCCCCCCC(=O)O MCULE-6805237317 [0,2,0,0,0,0|0,0,0]=2 594 B16R0.274 O=C(O)CCCCCCCCCCCCCBr MCULE-6321854023 [0,2,0,0,0,0|0,0,0]=2 595 B16R0.274 O=C(O)CCCCCCCCCCCCCO MCULE-2388869238 [0,2,0,0,0,0|0,0,0]=2 596 B16R0.274 O=C(O)CCCCCCCCCCCCCS MCULE-3340350604 [0,2,0,0,0,0|0,0,0]=2 597 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)O MCULE-3004334687 [0,2,0,0,0,0|0,0,1]=3 598 B16R0.297 CCCCOCCCNC(=O)CCCC(=O)O MCULE-8194319486 [0,2,0,0,0,0|1,0,1]=4 599 B16R0.1188 CCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-1966618277 [0,2,0,0,0,0|1,0,1]=4 600 B16R0.1188 CCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-3533610819 [0,2,0,0,0,0|1,0,1]=4 601 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O MCULE-1145207013 [0,2,0,0,0,0|1,0,0]=3 602 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O MCULE-3170213829 [0,2,0,0,0,0|1,0,0]=3 603 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O MCULE-8121446012 [0,2,0,0,0,0|1,0,0]=3 604 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-3052507378 [0,2,0,0,0,0|1,0,1]=4 605 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-3252821110 [0,2,0,0,0,0|1,0,1]=4 606 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-5057320966 [0,2,0,0,0,0|1,0,1]=4 607 B16R0.1188 O=P(O)(O)CCCCCCCCCCCCS MCULE-8515448412 [0,2,0,0,0,0|1,0,0]=3 608 B16R0.1188 O=P(O)(O)OCCCCCCCCCCCS MCULE-9687351996 [0,2,0,0,0,0|2,0,0]=4 609 B16R0.1469 CCCCCC(=O)CCCCCCCC(=O)O MCULE-6359730553 [0,2,0,0,0,0|0,0,0]=2 610 B16R0.1469 CCCCCC(O)CCCCCCCC(=O)O MCULE-4062514314 [0,2,0,0,0,0|0,0,0]=2 611 B16R0.3288 CC(=O)CCCCCCCCCCCC(=O)O MCULE-6923186337 [0,2,0,0,0,0|0,0,0]=2 612 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O MCULE-7323844658 [0,2,0,0,0,0|0,0,0]=2 613 B16R0.3288 CC(O)CCCCCCCCCCCC(=O)O MCULE-3635113821 [0,2,0,0,0,0|0,0,0]=2 614 B16R0.3288 O=C(Cl)CCCCCCCCCCCC(=O)Cl MCULE-2918284092 [0,2,0,0,0,0|1,0,1]=4 615 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O MCULE-8192564811 [0,2,0,0,0,0|0,0,1]=3 616 B16R0.331 CC(C)CCCC(=O)CCCCCCC(=O)O MCULE-3530219623 [0,2,0,0,0,0|0,0,1]=3 617 B16R0.331 NC(CCCCCCC(=O)O)CCCC(=O)O MCULE-9920598905 [0,2,0,0,0,0|1,0,1]=4 618 B16R0.2309 O=C(O)CCCCCCCCCCP(=O)(O)O MCULE-7316074637 [0,2,0,0,0,0|2,0,0]=4 619 B16R0.1712 CCCCCCCCS(=O)(=O)NCCC(=O)O MCULE-1504796212 [0,2,0,0,0,0|2,0,0]=4 620 B14R1.26 CCCCCCCC1CCCC(=O)O1 MCULE-4837230476 [1,0,0,1,0,0|0,0,0]=2 621 B14R1.122 CCCCCCCCC1C=CC(=O)O1 MCULE-5943669264 [1,0,0,1,0,0|0,0,2]=4 622 B14R1.122 CCCCCCCCC1CCC(=O)O1 MCULE-7923543295 [1,0,0,1,0,0|0,0,0]=2 623 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 MCULE-9283902739 [1,0,0,1,0,0|0,0,0]=2 624 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-6634961753 [1,0,0,1,0,0|1,0,0]=3 625 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-7902887603 [1,0,0,1,0,0|1,0,0]=3 626 B14R1.221 CCCCCCCCCCCC1CO1 MCULE-9201050634 [1,0,0,1,0,0|1,0,1]=4 627 B14R1.269 CCCC1CCCCCC1NC(=O)C MCULE-1926366330 [1,0,0,1,0,0|2,0,0]=4 628 B14R1.422 O=C(O)CCCCCC1CCCCC1 MCULE-7467581189 [1,0,0,1,0,0|0,0,0]=2 629 B14R1.422 O=C(O)CCCCCN1CCCCC1 MCULE-8688134792 [1,0,0,1,0,0|1,0,0]=3 630 B14R1.422 O=C(O)CCCCCN1CCOCC1 MCULE-6803434014 [1,0,0,1,0,0|2,0,0]=4 631 B14R1.422 O=C(O)CCCCOC1CCCCO1 MCULE-9542624487 [1,0,0,1,0,0|2,0,0]=4 632 B14R1.1252 CCCCCCC1CCCCC(=O)N1 MCULE-8020444927 [1,0,0,1,0,0|1,0,0]=3 633 B14R1.4408 O=C1CCCCCCCCCCCN1 MCULE-1851658645 [1,0,0,1,0,0|1,0,0]=3 634 B14R1.4408 O=C1CCCCCCCCCCCO1 MCULE-9380541113 [1,0,0,1,0,0|0,0,0]=2 635 B14R1.4728 CCCCCCCCC1CC1C(=O)N MCULE-3980615271 [1,0,0,1,0,0|1,0,0]=3 636 B14R1.4728 CCCCCCCCC1CC1C(=O)O MCULE-6572964179 [1,0,0,1,0,0|0,0,0]=2 637 B14R1.4972 CC1(CCCCCCCCCCC1)O MCULE-6571841065 [1,0,0,1,0,0|1,0,1]=4 638 B14R1.6388 O=C(O)CCCCCCCCC1CC1 MCULE-4957612029 [1,0,0,1,0,0|0,0,0]=2 639 B14R1.40 CCCCCCCCCC1OCCO1 MCULE-6985905845 [1,0,0,1,0,0|1,0,1]=4 640 B14R1.62 CCCCCCCC1CCCC1=NO MCULE-7524060431 [1,0,0,1,0,0|1,0,1]=4 641 B14R1.62 CCCCCCCC\1CCC/C1=N/O MCULE-9956165606 [1,0,0,1,0,0|1,0,1]=4 642 B14R1.62 CCCCCCCC\1CCC/C1=N\O MCULE-6607576593 [1,0,0,1,0,0|1,0,1]=4 643 B14R1.123 CCCCCCCCC1CCCCC1 MCULE-9507507212 [1,0,0,1,0,0|1,0,1]=4 644 B14R1.123 O=CCCCCCOC1CCCCC1 MCULE-9855648849 [1,0,0,1,0,0|1,0,0]=3 645 B14R1.216 CCCCCCCCC1CCCC1=O MCULE-7970611652 [1,0,0,1,0,0|0,0,0]=2 646 B14R1.216 CCCCCCCCC1CCCC1N MCULE-3296053087 [1,0,0,1,0,0|1,0,1]=4 647 B14R1.216 CCCCCCCCC1CCCC1N MCULE-4887341639 [1,0,0,1,0,0|1,0,1]=4 648 B14R1.216 CCCCCCCCC1CCNC1=O MCULE-8169921256 [1,0,0,1,0,0|1,0,0]=3 649 B14R1.216 CCCCCCCCN1CCCC1=O MCULE-8809059739 [1,0,0,1,0,0|1,0,0]=3 650 B14R1.216 CCCCCCCCN1CCOC1=O MCULE-6991317211 [1,0,0,1,0,0|2,0,0]=4 651 B14R1.230 CCCCCCCCC[C@H]1O[C@@H]1CO MCULE-5540109111 [1,0,0,1,0,0|1,0,1]=4 652 B14R1.247 CC1CCCCCCCCCCC1=O MCULE-3023877204 [1,0,0,1,0,0|0,0,0]=2 653 B14R1.247 O=C1CCCCCCCCCCC1Br MCULE-2954229808 [1,0,0,1,0,0|1,0,0]=3 654 B14R1.247 O=C1CCCCCCCCCCC1Cl MCULE-3762267711 [1,0,0,1,0,0|1,0,0]=3 655 B14R1.247 OC1CCCCCCCCCCC1O MCULE-2416774599 [1,0,0,1,0,0|1,0,1]=4 656 B14R1.247 O[C@@H]1CCCCCCCCCC[C@H]1O MCULE-5428629079 [1,0,0,1,0,0|1,0,1]=4 657 B14R1.247 O[C@H]1CCCCCCCCCC[C@@H]1O MCULE-4103242658 [1,0,0,1,0,0|1,0,1]=4 658 B14R1.476 CCCCCCC1CCCCC1=NO MCULE-6968797706 [1,0,0,1,0,0|1,0,1]=4 659 B14R1.476 CCCCCCC\1CCCC/C1=N/O MCULE-9076847941 [1,0,0,1,0,0|1,0,1]=4 660 B14R1.845 CNC1CCCCCCCCCCC1 MCULE-1344782660 [1,0,0,1,0,0|2,0,0]=4 661 B14R1.845 OCC1CCCCCCCCCCC1 MCULE-2924050265 [1,0,0,1,0,0|0,0,1]=3 662 B14R1.845 ON=C1CCCCCCCCCCC1 MCULE-6777210096 [1,0,0,1,0,0|1,0,1]=4 663 B14R1.882 CCCCCCC=C1CCCCC1=O MCULE-7594121913 [1,0,0,1,0,0|0,0,2]=4 664 B14R1.882 CCCCCCCC1CCCCC1O MCULE-6870509580 [1,0,0,1,0,0|0,0,1]=3 665 B16R1.642 CCCCCCCCC=C[C@H]1CCC(=O)O1 MCULE-1925789551 [0,1,0,1,0,0|0,0,1]=3 666 B16R1.10873 CC(=O)C1CCCCCCCCCCC1=O MCULE-1431838644 [0,1,0,1,0,0|1,0,1]=4 667 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 MCULE-3880635347 [0,1,0,1,0,0|1,0,0]=3 668 B16R1.18167 CC(O)CC1CCCCCCCCCCC1 MCULE-7920074213 [0,1,0,1,0,0|1,0,1]=4 669 B16R1.20337 CCCCCCCCCCC1CC1C(=O)O MCULE-6448726765 [0,1,0,1,0,0|0,0,0]=2 670 B16R1.402 CC1CCCCCCCCCCCOC1=O MCULE-1334028238 [0,1,0,1,0,0|0,0,0]=2 671 B16R1.402 C[C@H]1CCCCCCCCCCCOC1=O MCULE-7240766244 [0,1,0,1,0,0|0,0,0]=2 672 B16R1.1166 N/C(=N\O)/CCCCCCN1CCCCC1 MCULE-7484430109 [0,1,0,1,0,0|2,0,0]=4 673 B16R1.8816 O=C1CCCCCCCCCCCCCC1 MCULE-7713299679 [0,1,0,1,0,0|1,0,0]=3 674 B16R1.8816 O=C1CCCCCCCCCCOCCO1 MCULE-5709281545 [0,1,0,1,0,0|0,0,0]=2 675 B16R1.8816 OC1CCCCCCCCCCCCCC1 MCULE-1220726144 [0,1,0,1,0,0|1,0,1]=4 676 B16R1.17240 C/C(=N/O)/C1CCCCCCCCCCC1 MCULE-7532859728 [0,1,0,1,0,0|1,0,0]=3 677 B16R1.17240 CC(=NO)C1CCCCCCCCCCC1 MCULE-2531114529 [0,1,0,1,0,0|1,0,0]=3 678 B16R1.19291 C=C1CCCCCCCCCC(C1=O)CO MCULE-5673436827 [0,1,0,1,0,0|2,0,0]=4 679 B16R1.26164 O=C(O)CCC(=O)NC1CCCCCCC1 MCULE-6360209159 [0,1,0,1,0,0|1,0,1]=4 680 B16R1.83 CC1CCCC(C1)OCCCCCC(=O)O MCULE-9807981702 [0,1,0,1,0,0|1,0,0]=3 681 B16R1.11022 O=C1CCCCC(=O)OCCCCCCO1 MCULE-1198992324 [0,1,0,1,0,0|1,0,1]=4 682 B16R1.11022 O=C1CCCCCCCCC(=O)OCCO1 MCULE-5372309426 [0,1,0,1,0,0|1,0,1]=4 683 B16R1.610 O=C(O)CCCCC(=O)NC1CCCCC1 MCULE-6487657250 [0,1,0,1,0,0|1,0,1]=4 684 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 MCULE-8938614477 [0,1,0,1,0,0|0,0,0]=2 685 B16R1.596 O=C(O)CCCCCCOC1CCCCO1 MCULE-1769872572 [0,1,0,1,0,0|1,0,0]=3 686 B16R1.596 O=C(O)CCCOCCOC1CCCCO1 MCULE-9661661113 [0,1,0,1,0,0|2,0,0]=4 687 B16R1.3904 CCCCCCCC1CCCC1CC(=O)O MCULE-5962401066 [0,1,0,1,0,0|0,0,0]=2 688 B16R1.17455 CCCCCCCCCCCCCC1CO1 MCULE-2516429313 [0,1,0,1,0,0|1,0,1]=4 689 B16R1.17455 CCCCCCCCCCCCC[C@@H]1CO1 MCULE-5745331369 [0,1,0,1,0,0|1,0,1]=4 690 B16R1.17455 CCCCCCCCCCCOC[C@H]1CO1 MCULE-6089454831 [0,1,0,1,0,0|1,0,1]=4 691 B16R1.609 O=C(O)CCCCCC(=O)C1CCCCC1 MCULE-4205663789 [0,1,0,1,0,0|0,0,1]=3 692 B16R1.614 O=C(O)CCCCCCC(=O)C1CCCC1 MCULE-5438762359 [0,1,0,1,0,0|0,0,1]=3 693 B16R1.1730 CCCCNC(=O)C1CCCCC1C(=O)O MCULE-2307285126 [0,1,0,1,0,0|1,0,1]=4 694 B16R1.10827 O=C1CCCCCOC(=O)CCCCCO1 MCULE-7410854079 [0,1,0,1,0,0|1,0,1]=4 695 B16R1.57966 O=C(O)CCCC(=O)N1CCCCCCC1 MCULE-4851974171 [0,1,0,1,0,0|1,0,1]=4 696 B16R1.58008 O=C(O)CCCC(=O)NC1CCCCCC1 MCULE-3433819524 [0,1,0,1,0,0|1,0,1]=4 697 B16R2.134226 O=C1NCCCCCNC2C1CCCC2 MCULE-8985933671 [0,0,0,2,0,0|2,0,0]=4 698 B16R2.134226 O=C1NCCCCCN[C@@H]2[C@H]1CCCC2 MCULE-5866102251 [0,0,0,2,0,0|2,0,0]=4 699 B16R2.14939 O=C1NCCCCCCNC2C1CCC2 MCULE-8498917797 [0,0,0,2,0,0|2,0,0]=4 700 B16R2.14939 O=C1NCCCCCCN[C@@H]2[C@H]1CCC2 MCULE-9987782147 [0,0,0,2,0,0|2,0,0]=4 701 B16R2.464 O=C(O)C1CCCC1NC2CCCCC2 MCULE-5533789975 [0,0,0,2,0,0|1,0,0]=3 702 B16R2.179941 O=C(O)CCC1CCCN2C1CCCC2 MCULE-9945723821 [0,0,0,2,0,0|1,0,0]=3