0 B14R0.394 C#CCCCCCCCCCCC(=O)O MCULE-5450003719 [0,0,0,0,0,0|1,0,1]=2 1 B14R0.394 C=C(C)CCCCCCCCCCCC MCULE-1660064186 [0,0,0,0,0,0|3,0,0]=3 2 B14R0.394 C=CCCCCCCCCCCC(=C)C MCULE-2402891038 [0,0,0,0,0,0|3,0,1]=4 3 B14R0.394 C=CCCCCCCCCCCC(=O)O MCULE-9793800000 [0,0,0,0,0,0|1,0,1]=2 4 B14R0.394 C=CCCCCCCCCCSC(=O)C MCULE-4760117307 [0,0,0,0,0,0|3,0,1]=4 5 B14R0.394 CCCCC#CCCCCCCC(=O)O MCULE-8024164485 [0,0,0,0,0,0|1,0,2]=3 6 B14R0.394 CCCCCCCCCCC=CC(=O)O MCULE-4178586146 [0,0,0,0,0,0|1,0,2]=3 7 B14R0.394 CCCCCCCCCCCCB(O)O MCULE-9093678828 [0,0,0,0,0,0|2,0,1]=3 8 B14R0.394 CCCCCCCCCCCCC(=O)C MCULE-2872423248 [0,0,0,0,0,0|2,0,0]=2 9 B14R0.394 CCCCCCCCCCCCC(=O)O MCULE-1430959106 [0,0,0,0,0,0|1,0,0]=1 10 B14R0.394 CCCCCCCCCCCCC(C)C MCULE-7317925183 [0,0,0,0,0,0|3,0,1]=4 11 B14R0.394 CCCCCCCCCCCCC(C)I MCULE-9658991496 [0,0,0,0,0,0|3,0,1]=4 12 B14R0.394 CCCCCCCCCCCCC(C)O MCULE-1888626759 [0,0,0,0,0,0|2,0,1]=3 13 B14R0.394 CCCCCCCCCCCCN(=O)=O MCULE-5400909349 [0,0,0,0,0,0|2,0,1]=3 14 B14R0.394 CCCCCCCCCCCCN(C)C MCULE-7234022591 [0,0,0,0,0,0|4,0,0]=4 15 B14R0.394 CCCCCCCCCCCCS(=O)C MCULE-1846061546 [0,0,0,0,0,0|3,0,0]=3 16 B14R0.394 CCCCCCCCCCCOC(=O)C MCULE-9960804873 [0,0,0,0,0,0|3,0,0]=3 17 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-1390429058 [0,0,0,0,0,0|2,0,0]=2 18 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-7569072874 [0,0,0,0,0,0|2,0,0]=2 19 B14R0.394 CCCCCCCCSCCOC(=O)C MCULE-3293546242 [0,0,0,0,0,0|4,0,0]=4 20 B14R0.394 N#CCCCCCCCCCCC(=O)O MCULE-7550910857 [0,0,0,0,0,0|1,0,1]=2 21 B14R0.394 N#N=NCCCCCCCCCC(=O)O MCULE-9886282931 [0,0,0,0,0,0|3,0,0]=3 22 B14R0.394 NCCCCCCCCCCCC(=O)O MCULE-4152674665 [0,0,0,0,0,0|1,0,0]=1 23 B14R0.394 NCCOCCOCCOCCC(=O)O MCULE-1677529776 [0,0,0,0,0,0|4,0,0]=4 24 B14R0.394 NCCOCCOCCOCCC(=O)O MCULE-6785929392 [0,0,0,0,0,0|4,0,0]=4 25 B14R0.394 O=C(O)CCCCCCCCCCCBr MCULE-7401124485 [0,0,0,0,0,0|1,0,0]=1 26 B14R0.394 O=C(O)CCCCCCCCCCCO MCULE-6776936355 [0,0,0,0,0,0|0,0,0]=0 27 B14R0.394 O=C(O)CCCCCCCCCCCS MCULE-7711860322 [0,0,0,0,0,0|0,1,0]=1 28 B14R0.394 O=C(O)CCOCCOCCOCCBr MCULE-5688301812 [0,0,0,0,0,0|4,0,0]=4 29 B14R0.394 O=C(O)CCOCCOCCOCCO MCULE-7818931244 [0,0,0,0,0,0|3,0,0]=3 30 B14R0.394 O=C(O)CCOCCOCCOCCS MCULE-7580641969 [0,0,0,0,0,0|3,1,0]=4 31 B14R0.394 O=C(O)COCCOCCCCCCCl MCULE-1118128476 [0,0,0,0,0,0|3,0,0]=3 32 B14R0.394 O=N(=O)CCCCCCCCCCCO MCULE-8940789390 [0,0,0,0,0,0|1,0,1]=2 33 B14R0.394 [NH+](C)(C)CCCCCCCCCCCC MCULE-8328860853 [0,0,0,0,0,0|4,0,0]=4 34 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [1,0,0,0,0,0|0,0,2]=3 35 B13R0.54 C=C(C)CCCCCCCCCCC MCULE-6486590493 [1,0,0,0,0,0|2,0,0]=3 36 B13R0.54 C=CCCCCCCCCCC(=O)C MCULE-5730123957 [1,0,0,0,0,0|1,0,2]=4 37 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [1,0,0,0,0,0|0,0,2]=3 38 B13R0.54 CC(C)CCCCCCCCCCO MCULE-3770739954 [1,0,0,0,0,0|2,0,1]=4 39 B13R0.54 CCCCCC/C=C\CCCC(=O)O MCULE-9454929405 [1,0,0,0,0,0|0,0,2]=3 40 B13R0.54 CCCCCCC=CCCCC(=O)O MCULE-1299148519 [1,0,0,0,0,0|0,0,2]=3 41 B13R0.54 CCCCCCCCC/C=C/C(=O)O MCULE-8068052432 [1,0,0,0,0,0|0,0,2]=3 42 B13R0.54 CCCCCCCCCC=CC(=O)O MCULE-5397880976 [1,0,0,0,0,0|0,0,2]=3 43 B13R0.54 CCCCCCCCCCCC(=N)N MCULE-2355708247 [1,0,0,0,0,0|2,0,0]=3 44 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [1,0,0,0,0,0|1,0,0]=2 45 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [1,0,0,0,0,0|1,0,0]=2 46 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [1,0,0,0,0,0|1,0,0]=2 47 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [1,0,0,0,0,0|0,0,0]=1 48 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [1,0,0,0,0,0|0,0,1]=2 49 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [1,0,0,0,0,0|0,0,1]=2 50 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [1,0,0,0,0,0|0,0,1]=2 51 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [1,0,0,0,0,0|0,0,1]=2 52 B13R0.54 CCCCCCCCCCCC(C)N MCULE-3980418920 [1,0,0,0,0,0|2,0,1]=4 53 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [1,0,0,0,0,0|1,0,1]=3 54 B13R0.54 CCCCCCCCCCCN(=O)=O MCULE-4760203332 [1,0,0,0,0,0|1,0,1]=3 55 B13R0.54 CCCCCCCCCCCN(C)C MCULE-5478138058 [1,0,0,0,0,0|3,0,0]=4 56 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [1,0,0,0,0,0|2,0,0]=3 57 B13R0.54 CCCCCCCCCCNC(=S)N MCULE-1226316897 [1,0,0,0,0,0|2,1,0]=4 58 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [1,0,0,0,0,0|2,0,0]=3 59 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [1,0,0,0,0,0|2,0,0]=3 60 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8121799109 [1,0,0,0,0,0|1,2,0]=4 61 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8750716716 [1,0,0,0,0,0|1,2,0]=4 62 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [1,0,0,0,0,0|1,0,0]=2 63 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [1,0,0,0,0,0|2,0,0]=3 64 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [1,0,0,0,0,0|1,0,0]=2 65 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [1,0,0,0,0,0|1,0,1]=3 66 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [1,0,0,0,0,0|1,0,0]=2 67 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [1,0,0,0,0,0|1,0,0]=2 68 B13R0.54 COCCOCCOCCCC(=O)O MCULE-5833620933 [1,0,0,0,0,0|3,0,0]=4 69 B13R0.54 N#N=NCCCCCCCCC(=O)O MCULE-9217828089 [1,0,0,0,0,0|3,0,0]=4 70 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [1,0,0,0,0,0|2,0,0]=3 71 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [1,0,0,0,0,0|1,0,0]=2 72 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [1,0,0,0,0,0|1,0,1]=3 73 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [1,0,0,0,0,0|2,0,0]=3 74 B13R0.54 O=C(O)CCCCCCC/C=C/CO MCULE-9542952039 [1,0,0,0,0,0|0,0,2]=3 75 B13R0.54 O=C(O)CCCCCCCCC#CBr MCULE-4630465471 [1,0,0,0,0,0|1,0,2]=4 76 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [1,0,0,0,0,0|1,0,0]=2 77 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [1,0,0,0,0,0|1,0,0]=2 78 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [1,0,0,0,0,0|0,0,0]=1 79 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [1,0,0,0,0,0|0,1,0]=2 80 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [1,0,0,0,0,0|1,0,0]=2 81 B13R0.54 O=C(O)COCCOCCOCCO MCULE-6493597298 [1,0,0,0,0,0|3,0,0]=4 82 B13R0.54 O=N(=O)CCCCCCCCCCBr MCULE-8717758522 [1,0,0,0,0,0|2,0,1]=4 83 B13R0.54 O=N(=O)CCCCCCCCCCO MCULE-1367838470 [1,0,0,0,0,0|1,0,1]=3 84 B13R0.336 BrCCCCCCCCCCCCBr MCULE-6672891675 [1,0,0,0,0,0|2,0,1]=4 85 B13R0.336 C#CCCCCCCCCCCCC MCULE-4146985591 [1,0,0,0,0,0|2,0,1]=4 86 B13R0.336 C#CCCCCCCCCCCCO MCULE-9314358664 [1,0,0,0,0,0|1,0,1]=3 87 B13R0.336 C=CCCCCCCCCCCC=C MCULE-5370372946 [1,0,0,0,0,0|2,0,1]=4 88 B13R0.336 C=CCCCCCCCCCCCBr MCULE-3110147791 [1,0,0,0,0,0|2,0,0]=3 89 B13R0.336 C=CCCCCCCCCCCCC MCULE-5148675782 [1,0,0,0,0,0|2,0,0]=3 90 B13R0.336 C=CCCCCCCCCCCCO MCULE-6006083957 [1,0,0,0,0,0|1,0,0]=2 91 B13R0.336 C=CCSCCCCCCCCCC MCULE-6078028682 [1,0,0,0,0,0|3,0,0]=4 92 B13R0.336 CCCCCCCCCCCCC#N MCULE-2240447839 [1,0,0,0,0,0|2,0,1]=4 93 B13R0.336 CCCCCCCCCCCCC=O MCULE-6267230462 [1,0,0,0,0,0|1,0,0]=2 94 B13R0.336 CCCCCCCCCCCCCBr MCULE-4920949706 [1,0,0,0,0,0|2,0,1]=4 95 B13R0.336 CCCCCCCCCCCCCC MCULE-7442374993 [1,0,0,0,0,0|2,0,1]=4 96 B13R0.336 CCCCCCCCCCCCCCl MCULE-5597677663 [1,0,0,0,0,0|2,0,1]=4 97 B13R0.336 CCCCCCCCCCCCCI MCULE-8848884635 [1,0,0,0,0,0|2,0,1]=4 98 B13R0.336 CCCCCCCCCCCCCN MCULE-1771591728 [1,0,0,0,0,0|2,0,1]=4 99 B13R0.336 CCCCCCCCCCCCCO MCULE-4385103550 [1,0,0,0,0,0|1,0,1]=3 100 B13R0.336 CCCCCCCCCCCCNC MCULE-6157278006 [1,0,0,0,0,0|3,0,0]=4 101 B13R0.336 CCCCCCCCCCCCON MCULE-8050164267 [1,0,0,0,0,0|3,0,0]=4 102 B13R0.336 CCCCCCCCCCCCSC MCULE-8837710331 [1,0,0,0,0,0|3,0,0]=4 103 B13R0.336 CCCCCCCCCCNCCO MCULE-6579629969 [1,0,0,0,0,0|2,0,1]=4 104 B13R0.336 CCCCCCCCCCOCCO MCULE-4975665756 [1,0,0,0,0,0|2,0,1]=4 105 B13R0.336 CCCCCCCCCCSCCO MCULE-4627647142 [1,0,0,0,0,0|2,0,1]=4 106 B13R0.336 ClCCCCCCCCCCCCCl MCULE-9606409213 [1,0,0,0,0,0|2,0,1]=4 107 B13R0.336 N#N=NCCCCCCCCCCO MCULE-1106977345 [1,0,0,0,0,0|3,0,0]=4 108 B13R0.336 NCCCCCCCCCCCCBr MCULE-3944006044 [1,0,0,0,0,0|2,0,1]=4 109 B13R0.336 NCCCCCCCCCCCCBr MCULE-9552866350 [1,0,0,0,0,0|2,0,1]=4 110 B13R0.336 NCCCCCCCCCCCCN MCULE-7545047614 [1,0,0,0,0,0|2,0,1]=4 111 B13R0.336 NCCCCCCCCCCCCO MCULE-2914976551 [1,0,0,0,0,0|1,0,1]=3 112 B13R0.336 O=CCCCCCCCCCCC=O MCULE-9426216050 [1,0,0,0,0,0|0,0,2]=3 113 B13R0.336 O=CCCCCCCCCCCCBr MCULE-4256275371 [1,0,0,0,0,0|1,0,0]=2 114 B13R0.336 OCCCCCCCCCCCCBr MCULE-1748500310 [1,0,0,0,0,0|1,0,1]=3 115 B13R0.336 OCCCCCCCCCCCCO MCULE-7189041510 [1,0,0,0,0,0|0,0,1]=2 116 B13R0.336 OCCCCCOCCCCCCCl MCULE-1987336489 [1,0,0,0,0,0|2,0,1]=4 117 B13R0.336 OCCCOCCCCOCCCO MCULE-1805983983 [1,0,0,0,0,0|2,0,1]=4 118 B13R0.336 OCCSCCCCCCSCCO MCULE-6539293807 [1,0,0,0,0,0|2,0,1]=4 119 B15R0.69 C=C(C)CC(C)CCCCCCCCCC MCULE-9735141948 [0,1,0,0,0,0|3,0,0]=4 120 B15R0.69 CCCCCCCCCCC(C)CC(=O)O MCULE-3804531187 [0,1,0,0,0,0|1,0,0]=2 121 B15R0.69 CCCCCCCCCCC(O)CC(=O)O MCULE-6799084773 [0,1,0,0,0,0|1,0,0]=2 122 B15R0.81 CCCCCCCCCCCCC(=O)OC MCULE-6268749120 [0,1,0,0,0,0|1,0,0]=2 123 B15R0.81 CCCCCCCCCCCCC(C)C=O MCULE-8588140296 [0,1,0,0,0,0|2,0,1]=4 124 B15R0.81 CCCCCCCCCCCCC(C)CO MCULE-6702247896 [0,1,0,0,0,0|2,0,1]=4 125 B15R0.81 CCCCCCCCCCCCC(O)CN MCULE-9092341179 [0,1,0,0,0,0|2,0,1]=4 126 B15R0.81 CCCCCCCCCCCCC(O)CO MCULE-4985661381 [0,1,0,0,0,0|1,0,2]=4 127 B15R0.81 CCCCCCCCCCCCC([NH3+])CO MCULE-3619948090 [0,1,0,0,0,0|2,0,1]=4 128 B15R0.81 CCCCCCCCCCCCC([NH3+])CO MCULE-8988712408 [0,1,0,0,0,0|2,0,1]=4 129 B15R0.81 COC(=O)CCCCCCCCCCC#N MCULE-3424341580 [0,1,0,0,0,0|1,0,1]=3 130 B15R0.81 COC(=O)CCCCCCCCCCCBr MCULE-7032517210 [0,1,0,0,0,0|1,0,0]=2 131 B15R0.81 COC(=O)CCCCCCCCCCCN MCULE-2097053515 [0,1,0,0,0,0|1,0,0]=2 132 B15R0.81 COC(=O)CCCCCCCCCCCN MCULE-6460421950 [0,1,0,0,0,0|1,0,0]=2 133 B15R0.81 COC(=O)CCOCCOCCOCCO MCULE-9203137549 [0,1,0,0,0,0|3,0,0]=4 134 B15R0.84 CCCCCCCCCCCC(C)C(=O)O MCULE-5954675605 [0,1,0,0,0,0|1,0,0]=2 135 B15R0.88 CCCCCCCCCC(=O)NCC(=O)O MCULE-9009743421 [0,1,0,0,0,0|2,0,1]=4 136 B15R0.88 CCCCCCCCNC(=O)CCC(=O)O MCULE-1258129661 [0,1,0,0,0,0|2,0,1]=4 137 B15R0.88 CCCCCCCCOC(=O)CCC(=O)O MCULE-4799004845 [0,1,0,0,0,0|2,0,1]=4 138 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O MCULE-2428773430 [0,1,0,0,0,0|2,0,1]=4 139 B15R0.129 CCCCCCCC(=O)NCCCC(=O)O MCULE-5369086350 [0,1,0,0,0,0|2,0,1]=4 140 B15R0.129 CCCCCCCC(O)CCCCC(=O)O MCULE-3086004434 [0,1,0,0,0,0|1,0,0]=2 141 B15R0.164 C#CCCCCCCCCCCCC(=O)O MCULE-5832522123 [0,1,0,0,0,0|1,0,0]=2 142 B15R0.164 C=C(C)CCCCCCCCCCCCC MCULE-7613302437 [0,1,0,0,0,0|3,0,0]=4 143 B15R0.164 CC(=O)SCCCCCCCCCCCBr MCULE-7548194965 [0,1,0,0,0,0|2,0,0]=3 144 B15R0.164 CCCC/C=C/CCCCCCCC(=O)O MCULE-6705749045 [0,1,0,0,0,0|1,0,1]=3 145 B15R0.164 CCCC/C=C\CCCCCCCC(=O)O MCULE-5504515924 [0,1,0,0,0,0|1,0,1]=3 146 B15R0.164 CCCCC=CCCCCCCCC(=O)O MCULE-5940555705 [0,1,0,0,0,0|1,0,1]=3 147 B15R0.164 CCCCCCCCC#CCCCC(=O)O MCULE-7080925639 [0,1,0,0,0,0|1,0,1]=3 148 B15R0.164 CCCCCCCCCCCCCC(=O)C MCULE-8350749092 [0,1,0,0,0,0|2,0,0]=3 149 B15R0.164 CCCCCCCCCCCCCC(=O)Cl MCULE-2497488642 [0,1,0,0,0,0|2,0,0]=3 150 B15R0.164 CCCCCCCCCCCCCC(=O)N MCULE-5753717982 [0,1,0,0,0,0|2,0,0]=3 151 B15R0.164 CCCCCCCCCCCCCC(=O)O MCULE-9671122893 [0,1,0,0,0,0|1,0,0]=2 152 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-6783279487 [0,1,0,0,0,0|1,0,1]=3 153 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-7103790332 [0,1,0,0,0,0|1,0,1]=3 154 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-3926449131 [0,1,0,0,0,0|3,0,0]=4 155 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-7807646855 [0,1,0,0,0,0|3,0,0]=4 156 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-9225437546 [0,1,0,0,0,0|3,0,0]=4 157 B15R0.164 CCCCCCCCCCCCNC(=O)C MCULE-9415436236 [0,1,0,0,0,0|2,0,0]=3 158 B15R0.164 CCCCCCCCCCCCNC(=O)N MCULE-2832774647 [0,1,0,0,0,0|2,0,0]=3 159 B15R0.164 CCCCCCCCCCCCOC(=O)C MCULE-2488215593 [0,1,0,0,0,0|2,0,0]=3 160 B15R0.164 CCCCCCCCCCCCOC(=O)Cl MCULE-1341492119 [0,1,0,0,0,0|2,0,0]=3 161 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-2395943543 [0,1,0,0,0,0|1,2,0]=4 162 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-5871678815 [0,1,0,0,0,0|1,2,0]=4 163 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-1172582046 [0,1,0,0,0,0|3,0,0]=4 164 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-6001885776 [0,1,0,0,0,0|3,0,0]=4 165 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-8803922937 [0,1,0,0,0,0|3,0,0]=4 166 B15R0.164 CCCCCCCCCCCOCC(=O)O MCULE-2338877776 [0,1,0,0,0,0|1,0,0]=2 167 B15R0.164 CCCCCCCCCCCSCC(=O)O MCULE-3362261921 [0,1,0,0,0,0|1,0,0]=2 168 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-4890771155 [0,1,0,0,0,0|1,0,0]=2 169 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-9733002368 [0,1,0,0,0,0|1,0,0]=2 170 B15R0.164 CCCCCCCCCCOCCC(=O)O MCULE-9683464566 [0,1,0,0,0,0|1,0,0]=2 171 B15R0.164 CCCCCCCCCCSCCC(=O)O MCULE-4853340553 [0,1,0,0,0,0|1,0,0]=2 172 B15R0.164 CCCCCCCCSCCCCC(=O)O MCULE-1196712745 [0,1,0,0,0,0|1,0,0]=2 173 B15R0.164 CCCCCCCSCCCCCC(=O)O MCULE-9410938289 [0,1,0,0,0,0|1,0,0]=2 174 B15R0.164 CCCOCCCCCCCCCC(=O)O MCULE-6540084862 [0,1,0,0,0,0|1,0,0]=2 175 B15R0.164 CNCCCCCCCCCCCC(=O)O MCULE-3869239649 [0,1,0,0,0,0|1,0,0]=2 176 B15R0.164 COCCOCCOCCOCCC(=O)O MCULE-7922991286 [0,1,0,0,0,0|3,0,0]=4 177 B15R0.164 N#N=NCCCCCCCCCCC(=O)O MCULE-2957741079 [0,1,0,0,0,0|2,0,0]=3 178 B15R0.164 NOCCOCCOCCOCCC(=O)O MCULE-1086799135 [0,1,0,0,0,0|3,0,0]=4 179 B15R0.164 O=C(O)CCCCCCCCCCCCBr MCULE-2321032418 [0,1,0,0,0,0|1,0,0]=2 180 B15R0.164 O=C(O)CCCCCCCCCCCCO MCULE-3086618486 [0,1,0,0,0,0|0,0,0]=1 181 B15R0.164 O=CNCCCCCCCCCCC(=O)O MCULE-3600316275 [0,1,0,0,0,0|0,0,2]=3 182 B15R0.164 O=N(=O)CCCCCCCCCCCCBr MCULE-4250276660 [0,1,0,0,0,0|2,0,1]=4 183 B15R0.164 O=N(=O)CCCCCCCCCCCCO MCULE-2840091029 [0,1,0,0,0,0|1,0,1]=3 184 B15R0.193 CCCCCCC(=O)CCCCCC(=O)O MCULE-2666903083 [0,1,0,0,0,0|1,0,1]=3 185 B15R0.193 CCCCCCC(O)CCCCCC(=O)O MCULE-9789061912 [0,1,0,0,0,0|1,0,0]=2 186 B15R0.210 O=C(O)CCCCCCCC(O)/C=C/CO MCULE-5989156731 [0,1,0,0,0,0|0,0,2]=3 187 B15R0.210 O=CCCC(=O)CCCCCCCC(=O)O MCULE-8468220853 [0,1,0,0,0,0|0,0,3]=4 188 B15R0.222 CC(=O)CCCCCCCCCCC(=O)O MCULE-8079792928 [0,1,0,0,0,0|0,0,2]=3 189 B15R0.222 CC(C)CCCCCCCCCCC(=O)O MCULE-7115259280 [0,1,0,0,0,0|1,0,0]=2 190 B15R0.222 CC(O)CCCCCCCCCCC(=O)O MCULE-4292387921 [0,1,0,0,0,0|0,0,0]=1 191 B15R0.222 O=C(Cl)CCCCCCCCCCC(=O)Cl MCULE-1432423564 [0,1,0,0,0,0|1,0,2]=4 192 B15R0.222 O=C(O)/C=C/CCCCCCCCC(=O)O MCULE-8276752366 [0,1,0,0,0,0|0,0,3]=4 193 B15R0.222 O=C(O)/C=C\CCCCCCCCC(=O)O MCULE-3304010087 [0,1,0,0,0,0|0,0,3]=4 194 B15R0.222 O=C(O)C=CCCCCCCCCC(=O)O MCULE-5765051698 [0,1,0,0,0,0|0,0,3]=4 195 B15R0.222 O=C(O)CCC/C=C\CCCCCC(=O)O MCULE-7091368723 [0,1,0,0,0,0|0,0,3]=4 196 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O MCULE-1359972581 [0,1,0,0,0,0|0,0,1]=2 197 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O MCULE-6168408668 [0,1,0,0,0,0|0,0,1]=2 198 B15R0.222 O=C([O-])CCCCCCCCCCC(=O)[O-] MCULE-7782088447 [0,1,0,0,0,0|0,0,3]=4 199 B15R0.234 CCCCCC(=O)CCCCCCC(=O)O MCULE-6960063747 [0,1,0,0,0,0|1,0,1]=3 200 B15R0.234 CCCCCC(=O)NCCCCCC(=O)O MCULE-3148394051 [0,1,0,0,0,0|2,0,1]=4 201 B15R0.247 CCC(C)CCCCCCCCCC(=O)O MCULE-8493403779 [0,1,0,0,0,0|1,0,0]=2 202 B15R0.247 COC(=O)CCCCCCCCCC(=O)O MCULE-6347713742 [0,1,0,0,0,0|2,0,1]=4 203 B15R0.252 CCCCCCCCCCCCN(=O)(C)C MCULE-8984989718 [0,1,0,0,0,0|3,0,0]=4 204 B15R0.252 CCCCCCCCCCCCP(=O)(C)C MCULE-6635022490 [0,1,0,0,0,0|3,0,0]=4 205 B15R0.252 CCCCCCCCCCCCP(=O)(O)O MCULE-4386293340 [0,1,0,0,0,0|2,0,0]=3 206 B15R0.252 CCCCCCCCCCCCS(=O)(=O)Cl MCULE-1364603769 [0,1,0,0,0,0|2,0,1]=4 207 B15R0.252 CCCCCCCCCCCCS(=O)(=O)N MCULE-3829448149 [0,1,0,0,0,0|2,0,1]=4 208 B15R0.252 CCCCCCCCCCCCS(=O)(=O)O MCULE-2609476147 [0,1,0,0,0,0|2,0,0]=3 209 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] MCULE-8547025937 [0,1,0,0,0,0|2,0,1]=4 210 B15R0.252 O=P(O)(O)CCCCCCCCCCCO MCULE-5197305558 [0,1,0,0,0,0|1,0,0]=2 211 B15R0.252 O=P(O)(O)CCCCCCCCCCCS MCULE-3559004156 [0,1,0,0,0,0|1,1,0]=3 212 B15R1.106 CCCCCCCCC1CCCC(=O)O1 MCULE-2792905042 [0,0,0,1,0,0|1,0,0]=2 213 B15R1.106 N#CCCCCCCC1CCCC(=O)C1 MCULE-7064486276 [0,0,0,1,0,0|2,0,1]=4 214 B15R1.504 C=C(C)CCCCCOC1CCCCO1 MCULE-5500477047 [0,0,0,1,0,0|3,0,0]=4 215 B15R1.6595 O=C1CCCCCCCCCCCCO1 MCULE-3692667490 [0,0,0,1,0,0|1,0,0]=2 216 B15R1.9036 CC(=O)C1=CCCCCCCCCCC1 MCULE-3433190262 [0,0,0,1,0,0|2,0,1]=4 217 B15R1.9036 CC(=O)C1CCCCCCCCCCC1 MCULE-4234840248 [0,0,0,1,0,0|2,0,0]=3 218 B15R1.9036 CC(O)C1CCCCCCCCCCC1 MCULE-1492159679 [0,0,0,1,0,0|2,0,1]=4 219 B15R1.9199 CCCCCCCCCCCCC1CO1 MCULE-3903930495 [0,0,0,1,0,0|2,0,1]=4 220 B12R0.5 BrCCCCCCCCCCCBr MCULE-7714737833 [2,0,0,0,0,0|2,0,0]=4 221 B12R0.5 C#CCCCCCCCCCCC MCULE-4966581415 [2,0,0,0,0,0|1,0,1]=4 222 B12R0.5 C#CCCCCCCCCCCO MCULE-3338769733 [2,0,0,0,0,0|0,0,2]=4 223 B12R0.5 C=CCCCCCCCCCC=O MCULE-4798960934 [2,0,0,0,0,0|0,0,2]=4 224 B12R0.5 C=CCCCCCCCCCCBr MCULE-1450832602 [2,0,0,0,0,0|1,0,1]=4 225 B12R0.5 C=CCCCCCCCCCCC MCULE-7790972998 [2,0,0,0,0,0|1,0,0]=3 226 B12R0.5 C=CCCCCCCCCCCO MCULE-9436785815 [2,0,0,0,0,0|0,0,1]=3 227 B12R0.5 C=CCOCCCCCCCCO MCULE-5655873802 [2,0,0,0,0,0|1,0,1]=4 228 B12R0.5 C=COCCCCCCCCCC MCULE-9853638067 [2,0,0,0,0,0|2,0,0]=4 229 B12R0.5 C=CSCCCCCCCCCC MCULE-4125685210 [2,0,0,0,0,0|2,0,0]=4 230 B12R0.5 CCCCCCCCC/C=C/C=O MCULE-3924650225 [2,0,0,0,0,0|0,0,2]=4 231 B12R0.5 CCCCCCCCCC/C=C/I MCULE-7924200766 [2,0,0,0,0,0|1,0,1]=4 232 B12R0.5 CCCCCCCCCC=CC=O MCULE-6984246846 [2,0,0,0,0,0|0,0,2]=4 233 B12R0.5 CCCCCCCCCCCC#N MCULE-4898299264 [2,0,0,0,0,0|1,0,1]=4 234 B12R0.5 CCCCCCCCCCCC=O MCULE-3814557174 [2,0,0,0,0,0|0,0,0]=2 235 B12R0.5 CCCCCCCCCCCCBr MCULE-2442495006 [2,0,0,0,0,0|1,0,1]=4 236 B12R0.5 CCCCCCCCCCCCC MCULE-7749861366 [2,0,0,0,0,0|1,0,1]=4 237 B12R0.5 CCCCCCCCCCCCCl MCULE-6025385532 [2,0,0,0,0,0|1,0,1]=4 238 B12R0.5 CCCCCCCCCCCCF MCULE-3563531940 [2,0,0,0,0,0|1,0,1]=4 239 B12R0.5 CCCCCCCCCCCCI MCULE-6449418786 [2,0,0,0,0,0|1,0,1]=4 240 B12R0.5 CCCCCCCCCCCCN MCULE-1282419209 [2,0,0,0,0,0|1,0,1]=4 241 B12R0.5 CCCCCCCCCCCCN MCULE-1312431857 [2,0,0,0,0,0|1,0,1]=4 242 B12R0.5 CCCCCCCCCCCCN MCULE-3936839656 [2,0,0,0,0,0|1,0,1]=4 243 B12R0.5 CCCCCCCCCCCCN MCULE-8497998841 [2,0,0,0,0,0|1,0,1]=4 244 B12R0.5 CCCCCCCCCCCCN MCULE-9101484482 [2,0,0,0,0,0|1,0,1]=4 245 B12R0.5 CCCCCCCCCCCCO MCULE-3423087499 [2,0,0,0,0,0|0,0,1]=3 246 B12R0.5 CCCCCCCCCCCCO MCULE-9381688904 [2,0,0,0,0,0|0,0,1]=3 247 B12R0.5 CCCCCCCCCCCCS MCULE-8388213802 [2,0,0,0,0,0|0,1,1]=4 248 B12R0.5 CCCCCCCCCCCNC MCULE-4232799137 [2,0,0,0,0,0|2,0,0]=4 249 B12R0.5 CCCCCCCCCCCNC MCULE-9324463288 [2,0,0,0,0,0|2,0,0]=4 250 B12R0.5 CCCCCCCCCCNC=O MCULE-2199641461 [2,0,0,0,0,0|1,0,0]=3 251 B12R0.5 CCCCCCCCCSCCO MCULE-1890346670 [2,0,0,0,0,0|1,0,1]=4 252 B12R0.5 CCCCCCCOCCCC=O MCULE-7580382219 [2,0,0,0,0,0|1,0,0]=3 253 B12R0.5 CCCCCCCOCCCCO MCULE-4232162406 [2,0,0,0,0,0|1,0,1]=4 254 B12R0.5 CCCOCCCCCCCCO MCULE-6159515912 [2,0,0,0,0,0|1,0,1]=4 255 B12R0.5 CCOCCCCCCCCCO MCULE-6343777651 [2,0,0,0,0,0|1,0,1]=4 256 B12R0.5 ICCCCCCCCCCCI MCULE-1394798562 [2,0,0,0,0,0|2,0,0]=4 257 B12R0.5 NCCCCCCCCCCCN MCULE-2996124008 [2,0,0,0,0,0|2,0,0]=4 258 B12R0.5 NCCCCCCCCCCCO MCULE-5135515993 [2,0,0,0,0,0|1,0,0]=3 259 B12R0.5 NCCCCCCCCCCCS MCULE-2278372977 [2,0,0,0,0,0|1,1,0]=4 260 B12R0.5 NCCCCCCCCCCCS MCULE-7023358275 [2,0,0,0,0,0|1,1,0]=4 261 B12R0.5 O=CCCCCCCCCCCBr MCULE-8057974781 [2,0,0,0,0,0|1,0,0]=3 262 B12R0.5 OCCCCCCCCCCCBr MCULE-5881088914 [2,0,0,0,0,0|1,0,0]=3 263 B12R0.5 OCCCCCCCCCCCO MCULE-6987509130 [2,0,0,0,0,0|0,0,0]=2 264 B12R0.5 OCCCCCCCCCCCS MCULE-4791107478 [2,0,0,0,0,0|0,1,0]=3 265 B12R0.5 OCCCCCOCCCCCO MCULE-5243842214 [2,0,0,0,0,0|1,0,0]=3 266 B12R0.5 OCCCCCSCCCCCO MCULE-3316565485 [2,0,0,0,0,0|1,0,0]=3 267 B12R0.5 OCCCOCCCOCCCO MCULE-3111801430 [2,0,0,0,0,0|2,0,0]=4 268 B12R0.5 SCCCCCCCCCCCBr MCULE-7291453493 [2,0,0,0,0,0|1,1,0]=4 269 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [2,0,0,0,0,0|0,0,2]=4 270 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [2,0,0,0,0,0|2,0,0]=4 271 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [2,0,0,0,0,0|2,0,0]=4 272 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [2,0,0,0,0,0|2,0,0]=4 273 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [2,0,0,0,0,0|0,0,2]=4 274 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [2,0,0,0,0,0|0,0,2]=4 275 B12R0.234 CCCCCCCC/C=C/C(=O)O MCULE-6786701242 [2,0,0,0,0,0|0,0,2]=4 276 B12R0.234 CCCCCCCCC=CC(=O)O MCULE-7750983255 [2,0,0,0,0,0|0,0,2]=4 277 B12R0.234 CCCCCCCCCCB(O)O MCULE-6277841305 [2,0,0,0,0,0|1,0,1]=4 278 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [2,0,0,0,0,0|1,0,0]=3 279 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [2,0,0,0,0,0|1,0,0]=3 280 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [2,0,0,0,0,0|1,0,0]=3 281 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [2,0,0,0,0,0|0,0,0]=2 282 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [2,0,0,0,0,0|1,0,1]=4 283 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [2,0,0,0,0,0|1,0,1]=4 284 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [2,0,0,0,0,0|2,0,0]=4 285 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [2,0,0,0,0,0|2,0,0]=4 286 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [2,0,0,0,0,0|2,0,0]=4 287 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [2,0,0,0,0,0|1,0,0]=3 288 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [2,0,0,0,0,0|2,0,0]=4 289 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [2,0,0,0,0,0|1,0,0]=3 290 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [2,0,0,0,0,0|1,0,0]=3 291 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [2,0,0,0,0,0|1,0,0]=3 292 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [2,0,0,0,0,0|2,0,0]=4 293 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [2,0,0,0,0,0|1,0,0]=3 294 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [2,0,0,0,0,0|1,0,1]=4 295 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [2,0,0,0,0,0|1,0,0]=3 296 B12R0.234 O=C(O)/C=C/CCCCCCCO MCULE-7936793574 [2,0,0,0,0,0|0,0,2]=4 297 B12R0.234 O=C(O)C=CCCCCCCCO MCULE-6067845776 [2,0,0,0,0,0|0,0,2]=4 298 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [2,0,0,0,0,0|1,0,0]=3 299 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [2,0,0,0,0,0|1,0,0]=3 300 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [2,0,0,0,0,0|0,0,0]=2 301 B12R0.234 O=N(=O)CCCCCCCCCO MCULE-4658294221 [2,0,0,0,0,0|1,0,1]=4 302 B14R0.2 CCCCCCCC(=O)CCCC(=O)O MCULE-7869619246 [1,1,0,0,0,0|0,0,1]=3 303 B14R0.2 CCCCCCCC(=O)NCCC(=O)O MCULE-8282090533 [1,1,0,0,0,0|1,0,1]=4 304 B14R0.2 CCCCCCCC(O)CCCC(=O)O MCULE-5858594058 [1,1,0,0,0,0|0,0,0]=2 305 B14R0.68 CC(=O)CCCCCCCCCC(=O)O MCULE-2777579719 [1,1,0,0,0,0|0,0,1]=3 306 B14R0.68 CC(=O)NCCCCCCCCC(=O)O MCULE-6693735666 [1,1,0,0,0,0|1,0,1]=4 307 B14R0.68 CC(C)CCCCCCC/C=C\C(=O)O MCULE-6085372462 [1,1,0,0,0,0|0,0,2]=4 308 B14R0.68 CC(C)CCCCCCCC=CC(=O)O MCULE-2095727186 [1,1,0,0,0,0|0,0,2]=4 309 B14R0.68 CC(C)CCCCCCCCCC(=O)O MCULE-8259958688 [1,1,0,0,0,0|0,0,0]=2 310 B14R0.68 CC(O)CCCCCCCCCC(=O)O MCULE-5368688925 [1,1,0,0,0,0|0,0,0]=2 311 B14R0.68 O=C(O)CCCCCCCCCC(=O)O MCULE-3587613382 [1,1,0,0,0,0|0,0,1]=3 312 B14R0.88 CCCCCCCCCCCP(=O)(O)O MCULE-1217279150 [1,1,0,0,0,0|1,0,0]=3 313 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-3066318526 [1,1,0,0,0,0|1,0,1]=4 314 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-7737058858 [1,1,0,0,0,0|1,0,1]=4 315 B14R0.88 CCCCCCCCCCOP(=O)(O)O MCULE-6182561553 [1,1,0,0,0,0|2,0,0]=4 316 B14R0.88 CCCCCCCCCCOP(=O)([O-])O MCULE-7698287185 [1,1,0,0,0,0|2,0,0]=4 317 B14R0.88 CCCCCCCCCCOS(=O)(=O)O MCULE-5411467830 [1,1,0,0,0,0|2,0,0]=4 318 B14R0.88 NCCCCCCCCCCP(=O)(O)O MCULE-5353498495 [1,1,0,0,0,0|2,0,0]=4 319 B14R0.88 NCCCCCCCCCCP(=O)(O)O MCULE-8370982773 [1,1,0,0,0,0|2,0,0]=4 320 B14R0.88 O=P(O)(O)CCCCCCCCCCBr MCULE-8137402085 [1,1,0,0,0,0|2,0,0]=4 321 B14R0.153 CCCCC(=O)CCCCCCC(=O)O MCULE-9203558568 [1,1,0,0,0,0|0,0,1]=3 322 B14R0.153 CCCCC(O)CCCCCCC(=O)O MCULE-9749358521 [1,1,0,0,0,0|0,0,0]=2 323 B14R0.231 CCCCCC(=O)CCCCCC(=O)O MCULE-3463709825 [1,1,0,0,0,0|0,0,1]=3 324 B14R0.231 CCCCCC(=O)NCCCCC(=O)O MCULE-9650195842 [1,1,0,0,0,0|1,0,1]=4 325 B14R0.231 CCCCCC(O)CCCCCC(=O)O MCULE-1531878545 [1,1,0,0,0,0|0,0,0]=2 326 B14R0.305 CCC(=O)CCCCCCCCC(=O)O MCULE-6679639032 [1,1,0,0,0,0|0,0,1]=3 327 B14R0.305 CCC(C)CCCCCCCCC(=O)O MCULE-9730846585 [1,1,0,0,0,0|0,0,0]=2 328 B14R0.305 COC(=O)CCCCCCCCC(=O)O MCULE-8938642997 [1,1,0,0,0,0|1,0,1]=4 329 B14R0.305 O=C(O)CCCCCCCCC(O)CO MCULE-9638168645 [1,1,0,0,0,0|0,0,0]=2 330 B14R0.337 C#CC(O)CCCCCCCCCCC MCULE-1894988558 [1,1,0,0,0,0|1,0,1]=4 331 B14R0.337 C#CCCCCCCCCCC(=O)OC MCULE-2600718880 [1,1,0,0,0,0|0,0,2]=4 332 B14R0.337 C=CC(=O)OCCCCCCCCCC MCULE-3709831969 [1,1,0,0,0,0|2,0,0]=4 333 B14R0.337 C=CCCCCCCCCCC(=O)OC MCULE-1906791288 [1,1,0,0,0,0|0,0,2]=4 334 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-5898572032 [1,1,0,0,0,0|1,0,0]=3 335 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-8778239925 [1,1,0,0,0,0|1,0,0]=3 336 B14R0.337 CCCCCCCCCCCC(=O)CC MCULE-2582968261 [1,1,0,0,0,0|1,0,0]=3 337 B14R0.337 CCCCCCCCCCCC(=O)NC MCULE-2342575514 [1,1,0,0,0,0|1,0,0]=3 338 B14R0.337 CCCCCCCCCCCC(=O)NN MCULE-7169996147 [1,1,0,0,0,0|1,0,0]=3 339 B14R0.337 CCCCCCCCCCCC(=O)OC MCULE-5588995078 [1,1,0,0,0,0|0,0,0]=2 340 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-2365829470 [1,1,0,0,0,0|1,0,1]=4 341 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-3278971603 [1,1,0,0,0,0|1,0,1]=4 342 B14R0.337 CCCCCCCCCCNC(=O)CBr MCULE-9700566039 [1,1,0,0,0,0|2,0,0]=4 343 B14R0.337 CCCCCCCCCCNC(=O)CCl MCULE-9148882207 [1,1,0,0,0,0|2,0,0]=4 344 B14R0.337 CCCCCCCCCCOC(=O)CC MCULE-5080633291 [1,1,0,0,0,0|2,0,0]=4 345 B14R0.337 CCCCCCCCCCOC(=O)CCl MCULE-7984482986 [1,1,0,0,0,0|2,0,0]=4 346 B14R0.337 CCCCCCCCCCOC(=O)CN MCULE-5542693903 [1,1,0,0,0,0|2,0,0]=4 347 B14R0.337 CCCCCCCCNCCC(=O)OC MCULE-3052571159 [1,1,0,0,0,0|1,0,0]=3 348 B14R0.337 COC(=O)CCCCCCCCCCBr MCULE-8632429257 [1,1,0,0,0,0|1,0,0]=3 349 B14R0.337 COC(=O)CCCCCCCCCCCl MCULE-4470603458 [1,1,0,0,0,0|1,0,0]=3 350 B14R0.337 COC(=O)CCCCCCCCCCI MCULE-2171087302 [1,1,0,0,0,0|1,0,0]=3 351 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-5833366967 [1,1,0,0,0,0|1,0,0]=3 352 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-9980770025 [1,1,0,0,0,0|1,0,0]=3 353 B14R0.340 CCCCCCCCCCC(Br)C(=O)O MCULE-8612961366 [1,1,0,0,0,0|0,0,0]=2 354 B14R0.340 CCCCCCCCCCC(C)C(=O)O MCULE-9255156956 [1,1,0,0,0,0|0,0,0]=2 355 B14R0.340 CCCCCCCCCCC(Cl)C(=O)O MCULE-6251475162 [1,1,0,0,0,0|0,0,0]=2 356 B14R0.340 CCCCCCCCCCC(N)C(=O)O MCULE-3310366500 [1,1,0,0,0,0|0,0,0]=2 357 B14R0.340 CCCCCCCCCCC(O)C(=O)O MCULE-5171743084 [1,1,0,0,0,0|0,0,0]=2 358 B14R0.340 CCCCCCCCCC[C@@H](N)C(=O)O MCULE-6652767353 [1,1,0,0,0,0|0,0,0]=2 359 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-4936998730 [1,1,0,0,0,0|0,0,0]=2 360 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-6114365319 [1,1,0,0,0,0|0,0,0]=2 361 B14R0.340 NCCCCNCCCC[C@H](N)C(=O)O MCULE-6406203156 [1,1,0,0,0,0|2,0,0]=4 362 B14R0.344 CCCCCCCCC(=O)CCC(=O)O MCULE-8037408561 [1,1,0,0,0,0|0,0,1]=3 363 B14R0.344 CCCCCCCCC(C)CCC(=O)O MCULE-9191627113 [1,1,0,0,0,0|0,0,0]=2 364 B14R0.344 CCCCCCCCC(O)CCC(=O)O MCULE-6470944503 [1,1,0,0,0,0|0,0,0]=2 365 B14R0.344 CCCCCCCCC(O)CCC(=O)[O-] MCULE-2857603909 [1,1,0,0,0,0|0,0,1]=3 366 B14R0.344 CCCCCCCCS(=O)CCC(=O)N MCULE-4064667650 [1,1,0,0,0,0|2,0,0]=4 367 B14R0.344 CCCCCCCCS(=O)CCC(=O)O MCULE-6503950443 [1,1,0,0,0,0|1,0,0]=3 368 B14R0.344 CCCCCCCNC(=O)CCC(=O)O MCULE-7895735111 [1,1,0,0,0,0|1,0,1]=4 369 B14R0.344 O=C(O)CCC(=O)OCCCCCCO MCULE-8699860817 [1,1,0,0,0,0|1,0,1]=4 370 B14R0.391 CCCCCC/C=C\CC(O)CC(=O)O MCULE-2404322318 [1,1,0,0,0,0|0,0,2]=4 371 B14R0.391 CCCCCCCCCC(C)CC(=O)O MCULE-2198601753 [1,1,0,0,0,0|0,0,0]=2 372 B14R0.391 CCCCCCCCCC(O)CC(=O)O MCULE-8054557225 [1,1,0,0,0,0|0,0,0]=2 373 B14R0.391 CCCCCCCCC[C@@H](O)CC(=O)O MCULE-9862158900 [1,1,0,0,0,0|0,0,0]=2 374 B14R0.391 CCCCCCCCNC(=O)CC(=O)O MCULE-5427245082 [1,1,0,0,0,0|1,0,1]=4 375 B14R0.2224 CCCCCCC(O)CCCCC(=O)O MCULE-1514435932 [1,1,0,0,0,0|0,0,0]=2 376 B14R0.392 C=CCCCCCCCCCCCCBr MCULE-4861537594 [1,1,0,0,0,0|2,0,0]=4 377 B14R0.392 C=CCCCCCCCCCCCCC MCULE-8648825393 [1,1,0,0,0,0|2,0,0]=4 378 B14R0.392 C=CCCCCCCCCCCCCO MCULE-4486162306 [1,1,0,0,0,0|1,0,0]=3 379 B14R0.392 C=COCCCCCCCCCCCC MCULE-1459857080 [1,1,0,0,0,0|2,0,0]=4 380 B14R0.392 CC/C=C/CCCCCCCCCC=O MCULE-2385351310 [1,1,0,0,0,0|1,0,1]=4 381 B14R0.392 CC/C=C/CCCCCCCCCCO MCULE-6147260229 [1,1,0,0,0,0|1,0,1]=4 382 B14R0.392 CC/C=C\CCCCCCCCCCO MCULE-2734666708 [1,1,0,0,0,0|1,0,1]=4 383 B14R0.392 CCC=CCCCCCCCCCC=O MCULE-2282950568 [1,1,0,0,0,0|1,0,1]=4 384 B14R0.392 CCC=CCCCCCCCCCCO MCULE-6860357182 [1,1,0,0,0,0|1,0,1]=4 385 B14R0.392 CCCCCCC=CCCCCCC=O MCULE-7363296204 [1,1,0,0,0,0|1,0,1]=4 386 B14R0.392 CCCCCCCCCCCCCC=O MCULE-7550121675 [1,1,0,0,0,0|1,0,0]=3 387 B14R0.392 CCCCCCCCCCCCCCO MCULE-8719320111 [1,1,0,0,0,0|1,0,1]=4 388 B14R0.392 CCCCCCCCCCCCN=C=O MCULE-6525738732 [1,1,0,0,0,0|1,0,1]=4 389 B14R0.392 CCCCCCCCCCCCNC=O MCULE-2685945212 [1,1,0,0,0,0|1,0,0]=3 390 B14R0.392 CCCCCCCCCCCCOC=O MCULE-6493174878 [1,1,0,0,0,0|1,0,0]=3 391 B14R0.392 CCCCCCCCCCCOCCO MCULE-9070806750 [1,1,0,0,0,0|1,0,1]=4 392 B14R0.392 CCCCCCCCCCSCCCO MCULE-8768496784 [1,1,0,0,0,0|1,0,1]=4 393 B14R0.392 N#N=NCCCCCCCCCCCO MCULE-8568799445 [1,1,0,0,0,0|2,0,0]=4 394 B14R0.392 OCCCCCCCCCCCCCBr MCULE-1397457487 [1,1,0,0,0,0|1,0,1]=4 395 B14R0.392 OCCCCCCCCCCCCCO MCULE-9763203178 [1,1,0,0,0,0|0,0,1]=3 396 B14R0.393 C=CCC(C)CCCCCCCCCC MCULE-2252205948 [1,1,0,0,0,0|2,0,0]=4 397 B16R0.302 CCCCCCCCCCCC(C)CC(=O)O MCULE-2991345155 [0,2,0,0,0,0|1,0,0]=3 398 B16R0.302 CCCCCCCCCCCC(O)CC(=O)O MCULE-4756542974 [0,2,0,0,0,0|1,0,0]=3 399 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O MCULE-1246941080 [0,2,0,0,0,0|1,0,0]=3 400 B16R0.1182 CCCCCCCCCCC(O)CC(=O)OC MCULE-1948600018 [0,2,0,0,0,0|1,0,0]=3 401 B16R0.1182 CCCCCCCCCC[C@@H](O)CC(=O)OC MCULE-4453079421 [0,2,0,0,0,0|1,0,0]=3 402 B16R0.61 CCCCCCCCCCCCC(=O)CCC MCULE-4895448580 [0,2,0,0,0,0|2,0,0]=4 403 B16R0.61 CCCCCCCCCCCCC(=O)OCC MCULE-8945154638 [0,2,0,0,0,0|1,0,0]=3 404 B16R0.61 CCCCCCCCCCCCC(=O)OCCl MCULE-1444257922 [0,2,0,0,0,0|1,0,0]=3 405 B16R0.61 CCOC(=O)CCCCCCCCCCCBr MCULE-8542798971 [0,2,0,0,0,0|1,0,0]=3 406 B16R0.61 CCOC(=O)CCCCCCCCCCCN MCULE-2649272831 [0,2,0,0,0,0|1,0,0]=3 407 B16R0.61 CCOC(=O)CCCCCCCCCCCN MCULE-6362464632 [0,2,0,0,0,0|1,0,0]=3 408 B16R0.61 CCSC(=O)CCCCCCCCCCCO MCULE-6080213440 [0,2,0,0,0,0|0,1,0]=3 409 B16R0.164 CCC(C)CCCCCCCCCC(=O)OC MCULE-3200849129 [0,2,0,0,0,0|1,0,0]=3 410 B16R0.165 CCC(C)CCCCCCCCCCC(=O)O MCULE-7822234238 [0,2,0,0,0,0|1,0,0]=3 411 B16R0.165 CC[C@@H](C)CCCCCCCCCCC(=O)O MCULE-6272236651 [0,2,0,0,0,0|1,0,0]=3 412 B16R0.165 COC(=O)CCCCCCCCCCC(=O)Cl MCULE-9470204504 [0,2,0,0,0,0|0,0,2]=4 413 B16R0.165 COC(=O)CCCCCCCCCCC(=O)N MCULE-1607971907 [0,2,0,0,0,0|0,0,2]=4 414 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O MCULE-4901379479 [0,2,0,0,0,0|0,0,1]=3 415 B16R0.165 COC(=O)CCCCCCCCCCC(C)C MCULE-2765994462 [0,2,0,0,0,0|1,0,0]=3 416 B16R0.221 C=CC(=O)NCCCCCCCCCCCC MCULE-9950730044 [0,2,0,0,0,0|2,0,0]=4 417 B16R0.221 C=CC(=O)OCCCCCCCCCCCC MCULE-2937609730 [0,2,0,0,0,0|2,0,0]=4 418 B16R0.221 CCCCC=CCCCCCCCC(=O)OC MCULE-6534469638 [0,2,0,0,0,0|1,0,1]=4 419 B16R0.221 CCCCCCCCCCCCCC(=O)CC MCULE-9117802063 [0,2,0,0,0,0|2,0,0]=4 420 B16R0.221 CCCCCCCCCCCCCC(=O)NN MCULE-3612607907 [0,2,0,0,0,0|2,0,0]=4 421 B16R0.221 CCCCCCCCCCCCCC(=O)OC MCULE-3729213959 [0,2,0,0,0,0|1,0,0]=3 422 B16R0.221 CCCCCCCCCCCCNC(=O)CC MCULE-4783922420 [0,2,0,0,0,0|2,0,0]=4 423 B16R0.221 CCCCCCCCCCCCNC(=O)CCl MCULE-4529382467 [0,2,0,0,0,0|2,0,0]=4 424 B16R0.221 CCCCCCCCCCCCOC(=O)CBr MCULE-2483808028 [0,2,0,0,0,0|2,0,0]=4 425 B16R0.221 CCCCCCCCCCCCOC(=O)CC MCULE-8247406436 [0,2,0,0,0,0|2,0,0]=4 426 B16R0.221 CCCCCCCCCCCCOC(=O)CCl MCULE-6379931852 [0,2,0,0,0,0|2,0,0]=4 427 B16R0.221 CCCCCCCCCCCCOC(=O)CN MCULE-5189541815 [0,2,0,0,0,0|2,0,0]=4 428 B16R0.221 CCCCCCCCCCCCOC(=O)CN MCULE-8545291130 [0,2,0,0,0,0|2,0,0]=4 429 B16R0.221 CCCCCCCCCCCCOC(=O)CS MCULE-8899893008 [0,2,0,0,0,0|1,1,0]=4 430 B16R0.221 COC(=O)CCCCCCCCCCCCBr MCULE-1167427070 [0,2,0,0,0,0|1,0,0]=3 431 B16R0.221 COC(=O)CCCCCCCCCCN=N#N MCULE-2789691091 [0,2,0,0,0,0|2,0,0]=4 432 B16R0.224 CCCCCCCCCCCCC(Br)C(=O)O MCULE-5819916240 [0,2,0,0,0,0|1,0,0]=3 433 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C MCULE-3149404714 [0,2,0,0,0,0|2,0,0]=4 434 B16R0.224 CCCCCCCCCCCCC(C)C(=O)O MCULE-3088988040 [0,2,0,0,0,0|1,0,0]=3 435 B16R0.224 CCCCCCCCCCCCC(O)C(=O)O MCULE-8369309534 [0,2,0,0,0,0|1,0,0]=3 436 B16R0.224 CCCCCCCCCCCC[C@H](N)C(=O)O MCULE-9531094866 [0,2,0,0,0,0|1,0,0]=3 437 B16R0.224 CCCCCCCCCCC[NH2+]C(C)C(=O)O MCULE-2434900409 [0,2,0,0,0,0|1,0,0]=3 438 B16R0.224 CCCCCCCCCCC[NH2+]C(C)C(=O)O MCULE-7471369626 [0,2,0,0,0,0|1,0,0]=3 439 B16R0.806 COC(=O)CCCCCCCCC(O)CNO MCULE-2676110608 [0,2,0,0,0,0|1,0,0]=3 440 B16R0.2265 NC(CCCCCCCCCC(=O)O)C(=O)O MCULE-5284022260 [0,2,0,0,0,0|0,0,1]=3 441 B16R0.2267 O=C(O)CCCCCCCC(=O)CCC(=O)O MCULE-1156283256 [0,2,0,0,0,0|0,0,2]=4 442 B16R0.3183 CCCCCCCCCCS(=O)CCC(=O)O MCULE-1262811260 [0,2,0,0,0,0|1,0,0]=3 443 B16R0.131 CCCCC(=O)CCCCCCCCC(=O)O MCULE-7754358047 [0,2,0,0,0,0|1,0,0]=3 444 B16R0.131 CCCCC(O)CCCCCCCCC(=O)O MCULE-5323254369 [0,2,0,0,0,0|1,0,0]=3 445 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)O MCULE-8026963437 [0,2,0,0,0,0|1,0,0]=3 446 B16R0.1820 CCCCCCCCC(O)CCCCC(=O)O MCULE-6832728953 [0,2,0,0,0,0|1,0,0]=3 447 B16R0.1820 CCCCCCCCS(=O)CCCCC(=O)O MCULE-4893444874 [0,2,0,0,0,0|1,0,0]=3 448 B16R0.4657 NC(CCCCCC(=O)O)CCCCC(=O)O MCULE-1147234715 [0,2,0,0,0,0|0,0,1]=3 449 B16R0.4657 NC(CCCCCC(=O)O)CCCCC(=O)O MCULE-3312704262 [0,2,0,0,0,0|0,0,1]=3 450 B16R0.41 CCCC(O)CCCCCCCCCC(=O)O MCULE-1937957199 [0,2,0,0,0,0|1,0,0]=3 451 B16R0.177 CCCCCCC(=O)CCCCCCC(=O)O MCULE-4503353213 [0,2,0,0,0,0|1,0,0]=3 452 B16R0.177 CCCCCCC(O)CCCCCCC(=O)O MCULE-5389070847 [0,2,0,0,0,0|1,0,0]=3 453 B16R0.177 NCCCCCC(=O)NCCCCCC(=O)O MCULE-6126924523 [0,2,0,0,0,0|1,0,1]=4 454 B16R0.274 C=CCCCCCCCCCCCCC(=O)O MCULE-1403801057 [0,2,0,0,0,0|1,0,0]=3 455 B16R0.274 CCCCC=CCCCCCCCCC(=O)O MCULE-4211765208 [0,2,0,0,0,0|1,0,0]=3 456 B16R0.274 CCCCCCCCCCCCCCC(=O)C MCULE-2580004145 [0,2,0,0,0,0|2,0,0]=4 457 B16R0.274 CCCCCCCCCCCCCCC(=O)Cl MCULE-8745106680 [0,2,0,0,0,0|2,0,0]=4 458 B16R0.274 CCCCCCCCCCCCCCC(=O)N MCULE-6897989236 [0,2,0,0,0,0|2,0,0]=4 459 B16R0.274 CCCCCCCCCCCCCCC(=O)O MCULE-3630464562 [0,2,0,0,0,0|1,0,0]=3 460 B16R0.274 CCCCCCCCCCCCCOC(=O)C MCULE-3462383419 [0,2,0,0,0,0|2,0,0]=4 461 B16R0.274 CCCCCCCCCCCCNCC(=O)O MCULE-7069020402 [0,2,0,0,0,0|1,0,0]=3 462 B16R0.274 CCCCCCCCCCCCOCC(=O)O MCULE-5186628423 [0,2,0,0,0,0|1,0,0]=3 463 B16R0.274 CCCCCCCCCCCCSCC(=O)O MCULE-8937853494 [0,2,0,0,0,0|1,0,0]=3 464 B16R0.274 CCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2182837845 [0,2,0,0,0,0|1,0,0]=3 465 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-2947320698 [0,2,0,0,0,0|1,0,0]=3 466 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-5076653771 [0,2,0,0,0,0|1,0,0]=3 467 B16R0.274 COCCOCCOCCOCCCC(=O)O MCULE-1510792205 [0,2,0,0,0,0|2,0,0]=4 468 B16R0.274 N#N=NCCCCCCCCCCCC(=O)O MCULE-2436331538 [0,2,0,0,0,0|1,0,0]=3 469 B16R0.274 NCCCCCCCCCCCCCC(=O)O MCULE-6805237317 [0,2,0,0,0,0|1,0,0]=3 470 B16R0.274 O=C(O)CCCCCCCCCCCCCBr MCULE-6321854023 [0,2,0,0,0,0|1,0,0]=3 471 B16R0.274 O=C(O)CCCCCCCCCCCCCO MCULE-2388869238 [0,2,0,0,0,0|0,0,0]=2 472 B16R0.274 O=C(O)CCCCCCCCCCCCCS MCULE-3340350604 [0,2,0,0,0,0|0,1,0]=3 473 B16R0.274 O=C(O)COCCOCCOCCOCCO MCULE-7380610814 [0,2,0,0,0,0|2,0,0]=4 474 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)O MCULE-3004334687 [0,2,0,0,0,0|1,0,1]=4 475 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O MCULE-1145207013 [0,2,0,0,0,0|2,0,0]=4 476 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O MCULE-3170213829 [0,2,0,0,0,0|2,0,0]=4 477 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O MCULE-8121446012 [0,2,0,0,0,0|2,0,0]=4 478 B16R0.1188 O=P(O)(O)CCCCCCCCCCCCS MCULE-8515448412 [0,2,0,0,0,0|1,1,0]=4 479 B16R0.1188 O=P(O)(O)OCCCCCCCCCCCS MCULE-9687351996 [0,2,0,0,0,0|1,1,0]=4 480 B16R0.1469 CCCCCC(=O)CCCCCCCC(=O)O MCULE-6359730553 [0,2,0,0,0,0|1,0,0]=3 481 B16R0.1469 CCCCCC(O)CCCCCCCC(=O)O MCULE-4062514314 [0,2,0,0,0,0|1,0,0]=3 482 B16R0.3288 CC(=O)CCCCCCCCCCCC(=O)O MCULE-6923186337 [0,2,0,0,0,0|0,0,1]=3 483 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O MCULE-7323844658 [0,2,0,0,0,0|1,0,0]=3 484 B16R0.3288 CC(O)CCCCCCCCCCCC(=O)O MCULE-3635113821 [0,2,0,0,0,0|0,0,0]=2 485 B16R0.3288 O=C(Cl)CCCCCCCCCCCC(=O)Cl MCULE-2918284092 [0,2,0,0,0,0|1,0,1]=4 486 B16R0.3288 O=C(O)/C=C/CCCCCCCCCC(=O)O MCULE-1261827700 [0,2,0,0,0,0|0,0,2]=4 487 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O MCULE-8192564811 [0,2,0,0,0,0|0,0,0]=2 488 B16R0.331 CC(C)CCCC(=O)CCCCCCC(=O)O MCULE-3530219623 [0,2,0,0,0,0|1,0,1]=4 489 B16R0.331 NC(CCCCCCC(=O)O)CCCC(=O)O MCULE-9920598905 [0,2,0,0,0,0|0,0,1]=3 490 B16R0.2309 O=C(O)CCCCCCCCCCP(=O)(O)O MCULE-7316074637 [0,2,0,0,0,0|1,0,0]=3 491 B14R1.26 CCCCCCCC1CCCC(=O)O1 MCULE-4837230476 [1,0,0,1,0,0|0,0,0]=2 492 B14R1.122 CCCCCCCCC1C=CC(=O)O1 MCULE-5943669264 [1,0,0,1,0,0|0,0,2]=4 493 B14R1.122 CCCCCCCCC1CCC(=O)O1 MCULE-7923543295 [1,0,0,1,0,0|0,0,0]=2 494 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 MCULE-9283902739 [1,0,0,1,0,0|0,0,0]=2 495 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-6634961753 [1,0,0,1,0,0|1,0,0]=3 496 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-7902887603 [1,0,0,1,0,0|1,0,0]=3 497 B14R1.221 CCCCCCCCCCCC1CO1 MCULE-9201050634 [1,0,0,1,0,0|1,0,1]=4 498 B14R1.269 CCCC1CCCCCC1NC(=O)C MCULE-1926366330 [1,0,0,1,0,0|2,0,0]=4 499 B14R1.422 O=C(O)CCCCCC1CCCCC1 MCULE-7467581189 [1,0,0,1,0,0|0,0,0]=2 500 B14R1.422 O=C(O)CCCCCN1CCCCC1 MCULE-8688134792 [1,0,0,1,0,0|1,0,0]=3 501 B14R1.422 O=C(O)CCCCCN1CCOCC1 MCULE-6803434014 [1,0,0,1,0,0|2,0,0]=4 502 B14R1.422 O=C(O)CCCCOC1CCCCO1 MCULE-9542624487 [1,0,0,1,0,0|1,0,0]=3 503 B14R1.1252 CCCCCCC1CCCCC(=O)N1 MCULE-8020444927 [1,0,0,1,0,0|1,0,0]=3 504 B14R1.4408 O=C1CCCCCCCCCCCN1 MCULE-1851658645 [1,0,0,1,0,0|1,0,0]=3 505 B14R1.4408 O=C1CCCCCCCCCCCO1 MCULE-9380541113 [1,0,0,1,0,0|0,0,0]=2 506 B14R1.4728 CCCCCCCCC1CC1C(=O)N MCULE-3980615271 [1,0,0,1,0,0|1,0,0]=3 507 B14R1.4728 CCCCCCCCC1CC1C(=O)O MCULE-6572964179 [1,0,0,1,0,0|0,0,0]=2 508 B14R1.4972 CC1(CCCCCCCCCCC1)O MCULE-6571841065 [1,0,0,1,0,0|1,0,1]=4 509 B14R1.6388 O=C(O)CCCCCCCCC1CC1 MCULE-4957612029 [1,0,0,1,0,0|0,0,0]=2 510 B14R1.123 O=CCCCCCOC1CCCCC1 MCULE-9855648849 [1,0,0,1,0,0|2,0,0]=4 511 B14R1.123 OCCCCNCCC1C=CCCC1 MCULE-9266328741 [1,0,0,1,0,0|2,0,0]=4 512 B14R1.216 CCCCCCCCC1CCCC1=O MCULE-7970611652 [1,0,0,1,0,0|1,0,0]=3 513 B14R1.216 CCCCCCCCC1CCNC1=O MCULE-8169921256 [1,0,0,1,0,0|2,0,0]=4 514 B14R1.216 CCCCCCCCN1CCCC1=O MCULE-8809059739 [1,0,0,1,0,0|2,0,0]=4 515 B14R1.247 CC1CCCCCCCCCCC1=O MCULE-3023877204 [1,0,0,1,0,0|1,0,0]=3 516 B14R1.247 O=C1CCCCCCCCCCC1Br MCULE-2954229808 [1,0,0,1,0,0|1,0,0]=3 517 B14R1.247 O=C1CCCCCCCCCCC1Cl MCULE-3762267711 [1,0,0,1,0,0|1,0,0]=3 518 B14R1.247 OC1CCCCCCCCCCC1O MCULE-2416774599 [1,0,0,1,0,0|0,0,1]=3 519 B14R1.247 O[C@@H]1CCCCCCCCCC[C@H]1O MCULE-5428629079 [1,0,0,1,0,0|0,0,1]=3 520 B14R1.247 O[C@H]1CCCCCCCCCC[C@@H]1O MCULE-4103242658 [1,0,0,1,0,0|0,0,1]=3 521 B14R1.845 OCC1CCCCCCCCCCC1 MCULE-2924050265 [1,0,0,1,0,0|1,0,1]=4 522 B14R1.882 CCCCCCCC1CCCCC1O MCULE-6870509580 [1,0,0,1,0,0|1,0,1]=4 523 B16R1.642 CCCCCCCCC=C[C@H]1CCC(=O)O1 MCULE-1925789551 [0,1,0,1,0,0|1,0,1]=4 524 B16R1.10873 CC(=O)C1CCCCCCCCCCC1=O MCULE-1431838644 [0,1,0,1,0,0|1,0,1]=4 525 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 MCULE-3880635347 [0,1,0,1,0,0|2,0,0]=4 526 B16R1.20337 CCCCCCCCCCC1CC1C(=O)O MCULE-6448726765 [0,1,0,1,0,0|1,0,0]=3 527 B16R1.402 CC1CCCCCCCCCCCOC1=O MCULE-1334028238 [0,1,0,1,0,0|1,0,0]=3 528 B16R1.402 C[C@H]1CCCCCCCCCCCOC1=O MCULE-7240766244 [0,1,0,1,0,0|1,0,0]=3 529 B16R1.8816 O=C1CCCCCCCCCCCCCC1 MCULE-7713299679 [0,1,0,1,0,0|2,0,0]=4 530 B16R1.8816 O=C1CCCCCCCCCCOCCO1 MCULE-5709281545 [0,1,0,1,0,0|1,0,0]=3 531 B16R1.17240 C/C(=N/O)/C1CCCCCCCCCCC1 MCULE-7532859728 [0,1,0,1,0,0|2,0,0]=4 532 B16R1.17240 CC(=NO)C1CCCCCCCCCCC1 MCULE-2531114529 [0,1,0,1,0,0|2,0,0]=4 533 B16R1.19291 C=C1CCCCCCCCCC(C1=O)CO MCULE-5673436827 [0,1,0,1,0,0|1,0,0]=3 534 B16R1.83 CC1CCCC(C1)OCCCCCC(=O)O MCULE-9807981702 [0,1,0,1,0,0|2,0,0]=4 535 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 MCULE-8938614477 [0,1,0,1,0,0|1,0,0]=3 536 B16R1.596 O=C(O)CCCCCCOC1CCCCO1 MCULE-1769872572 [0,1,0,1,0,0|0,0,0]=2 537 B16R1.596 O=C(O)CCCOCCOC1CCCCO1 MCULE-9661661113 [0,1,0,1,0,0|1,0,0]=3 538 B16R1.3904 CCCCCCCC1CCCC1CC(=O)O MCULE-5962401066 [0,1,0,1,0,0|1,0,0]=3 539 B16R1.609 O=C(O)CCCCCC(=O)C1CCCCC1 MCULE-4205663789 [0,1,0,1,0,0|1,0,1]=4 540 B16R1.614 O=C(O)CCCCCCC(=O)C1CCCC1 MCULE-5438762359 [0,1,0,1,0,0|1,0,1]=4 541 B16R2.464 O=C(O)C1CCCC1NC2CCCCC2 MCULE-5533789975 [0,0,0,2,0,0|2,0,0]=4 542 B16R2.179941 O=C(O)CCC1CCCN2C1CCCC2 MCULE-9945723821 [0,0,0,2,0,0|2,0,0]=4