0 B10R1.128 CC(C)C1OCC[N+]1(C)C MCULE-4565923133 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.128 CC(C)C1OCC[N+]1(C)C MCULE-9014688596 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.128 CC1(CCC=C1C(=O)O)C MCULE-6540475820 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.128 CC1(CCCC1C(=O)O)C MCULE-4580682391 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.128 CC1(CCCC1C(=O)O)N MCULE-6959799055 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.128 CC1(CCCC1C(=O)O)N MCULE-7529713765 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.128 CC1(CCCN1C(=O)Cl)C MCULE-6343258936 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.128 CC1(CCNC1C(=O)O)C MCULE-4368125699 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.128 CC1(CCNC1C(=O)O)C MCULE-9548940162 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.128 CC1(CCN[C@@H]1C(=O)O)C MCULE-9288829524 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.128 CC1(CCN[C@@H]1C(=O)O)C MCULE-9565122593 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.128 CC1(CNCC1C(=O)O)C MCULE-3386370307 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.128 CC1(CNCC1C(=O)O)C MCULE-6121405177 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.128 CC1(CNC[C@@H]1C(=O)O)C MCULE-2007377437 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.128 CC1(CNC[C@@H]1C(=O)O)C MCULE-2184930829 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.128 CC1(CNC[C@H]1C(=O)O)C MCULE-1263349937 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.128 CC1(CNC[C@H]1C(=O)O)C MCULE-7547643584 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.128 CC1(NCS[C@H]1C(=O)[O-])C MCULE-3104504169 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.128 CC1(NCS[C@H]1C(=O)[O-])C MCULE-4967235281 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.128 CC1(OCCC1C(=O)O)C MCULE-4433776174 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.128 CC1(SCNC1C(=O)O)C MCULE-4649954723 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.128 CC1(SCN[C@@H]1C(=O)O)C MCULE-3039934368 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.128 CC1(SCN[C@@H]1C(=O)O)C MCULE-7607354946 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.128 CC1(SCN[C@H]1C(=O)O)C MCULE-3400987510 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.128 CC1(SCN[C@H]1C(=O)O)C MCULE-7230856340 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N MCULE-2638855066 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N MCULE-7472901526 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.128 C[N+]1(CCCC1C(=O)O)C MCULE-4111590223 [0,0,0,0,0,0|0,0,1]=1 28 B10R1.128 C[N+]1(CCCC1C(=O)[O-])C MCULE-7648391686 [0,0,0,0,0,0|0,0,0]=0 29 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C MCULE-8126384491 [0,0,0,0,0,0|0,0,1]=1 30 B10R1.128 C[N+]1(CCC[C@H]1C(=O)[O-])C MCULE-2247774893 [0,0,0,0,0,0|0,0,0]=0 31 B10R1.128 C[N+]1(CCC[C@H]1C(=O)[O-])C MCULE-3828242954 [0,0,0,0,0,0|0,0,0]=0 32 B10R1.128 C[N+]1(CCC[C@H]1C(=O)[O-])C MCULE-9538853712 [0,0,0,0,0,0|0,0,0]=0 33 B10R1.128 O=C(O)C1CCCC1(F)F MCULE-3687597013 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.128 O=C(O)C1CCCS1(=O)=O MCULE-6333477940 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.128 [C@H]1(NCSC1(C)C)C(=O)[O-] MCULE-4393899911 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.128 [C@H]1(NCSC1(C)C)C(=O)[O-] MCULE-5413994595 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.24 CC1(CCCC1C#N)C MCULE-8044609299 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.24 CC1(CCCC1CN)C MCULE-2825475131 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.24 CC1(CCCC1CO)C MCULE-4941414251 [1,0,0,0,0,0|1,0,2]=4 40 B9R1.24 CC1(CCCC1NN)C MCULE-8746245590 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.24 CC1(CCCC1NN)C MCULE-8998872576 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.24 CC1(CCOC1C=O)C MCULE-9559919142 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.24 C[N+]1(CCCC1CO)C MCULE-4698183859 [1,0,0,0,0,0|0,0,2]=3 44 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [1,0,0,0,0,0|0,0,2]=3 45 B9R1.41 CC(=O)C1=C(CCC1)C MCULE-9433038766 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.41 CC(=O)C1CCCC1=O MCULE-8152440536 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.41 CC1=C(CCC1)C(=O)O MCULE-4166872703 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [1,0,0,0,0,0|1,0,1]=3 49 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.41 CC1NCCC1C(=O)O MCULE-5042669811 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.41 CC1NCCC1C(=O)O MCULE-8546677468 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.41 CC1OCCC1C(=O)O MCULE-4181521736 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.41 CN1CCCC1C(=O)N MCULE-1474656837 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [1,0,0,0,0,0|0,0,2]=3 58 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [1,0,0,0,0,0|0,0,2]=3 59 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [1,0,0,0,0,0|0,0,2]=3 60 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1129223179 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1418743058 [1,0,0,0,0,0|1,0,1]=3 62 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [1,0,0,0,0,0|0,0,2]=3 63 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [1,0,0,0,0,0|0,0,2]=3 64 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [1,0,0,0,0,0|0,0,2]=3 65 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [1,0,0,0,0,0|0,0,2]=3 66 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-1155656545 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-5987152150 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [1,0,0,0,0,0|0,0,2]=3 69 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [1,0,0,0,0,0|0,0,2]=3 70 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [1,0,0,0,0,0|0,0,2]=3 71 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [1,0,0,0,0,0|0,0,2]=3 72 B9R1.41 CN1CSCC1C(=O)O MCULE-6053778396 [1,0,0,0,0,0|1,0,2]=4 73 B9R1.41 CN1CSCC1C(=O)O MCULE-8768199445 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.41 CN1CSC[C@@H]1C(=O)O MCULE-9390031358 [1,0,0,0,0,0|1,0,2]=4 75 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-2295281512 [1,0,0,0,0,0|1,0,2]=4 76 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-3344236668 [1,0,0,0,0,0|1,0,2]=4 77 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-6116857567 [1,0,0,0,0,0|1,0,2]=4 78 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-7315008971 [1,0,0,0,0,0|1,0,2]=4 79 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O MCULE-1674735474 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-8959062032 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-9340754868 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4624227681 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4653588182 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-3190006541 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-7835079063 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-1189864899 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-8012665255 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.41 NC(=O)C1CCCC1=O MCULE-2399127943 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.41 NC(=O)C1CCCC1N MCULE-5593863466 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.41 NC(=O)C1CCCC1N MCULE-7208597206 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-1275176642 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2107283008 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2865532845 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-3874121291 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O MCULE-7290076922 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [1,0,0,0,0,0|1,0,2]=4 108 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.41 O=C(Cl)C1CCCC1=O MCULE-1186628152 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.41 O=C(O)C1CCCC1=O MCULE-9500236289 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [1,0,0,0,0,0|2,0,1]=4 130 B11R1.227 CC1(CCCN1C(=O)CCl)C MCULE-3364101670 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.227 COC(=O)C1CNCC1(C)C MCULE-1616466730 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.227 COC(=O)C1CNCC1(C)C MCULE-7433911348 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.227 COC(=O)C1NCCC1(C)C MCULE-5054412289 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.227 COC(=O)C1NCCC1(C)C MCULE-9265026746 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.489 C[N+]1(C[C@@H](C[C@@H]1C(=O)[O-])O)C MCULE-1134958320 [0,1,0,0,0,0|0,0,0]=1 136 B11R1.489 C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C MCULE-8422437829 [0,1,0,0,0,0|0,0,0]=1 137 B11R1.489 C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C MCULE-8688546795 [0,1,0,0,0,0|0,0,0]=1 138 B11R1.489 C[N+]1(C[C@H](C[C@@H]1C(=O)[O-])O)C MCULE-4872810769 [0,1,0,0,0,0|0,0,0]=1 139 B11R1.1386 CC1(CCCC1(N)C(=O)O)C MCULE-4148753420 [0,1,0,0,0,0|1,0,1]=3 140 B9R0.32 CC(C)(CO)C(O)C(=O)[O-] MCULE-8284553290 [0,0,1,0,0,0|3,0,0]=4 141 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)[O-] MCULE-3131803550 [0,0,1,0,0,0|3,0,0]=4 142 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-2030759346 [0,0,1,0,0,0|2,0,1]=4 143 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-8756866734 [0,0,1,0,0,0|2,0,1]=4 144 B9R0.32 CCC(C)(C)C(O)C(=O)O MCULE-6783140520 [0,0,1,0,0,0|2,0,1]=4 145 B9R0.32 CCC(C)(C)N(C)C(=O)Cl MCULE-2696642386 [0,0,1,0,0,0|3,0,0]=4 146 B9R0.33 C=CCC(C(=O)[O-])N(C)C MCULE-9323087609 [0,0,1,0,0,0|0,0,3]=4 147 B9R0.33 CC(C)C(CCN)C(=O)O MCULE-5177043751 [0,0,1,0,0,0|2,0,1]=4 148 B9R0.33 CC(C)C(CCN)C(=O)O MCULE-7075545898 [0,0,1,0,0,0|2,0,1]=4 149 B9R0.33 CCCC(C(=O)N)N(C)C MCULE-4951647411 [0,0,1,0,0,0|1,0,1]=3 150 B9R0.33 CCCC(C(=O)O)C(C)C MCULE-9298455866 [0,0,1,0,0,0|1,0,1]=3 151 B9R0.33 CCCC(C(=O)O)N(C)C MCULE-1361270877 [0,0,1,0,0,0|0,0,2]=3 152 B9R0.33 CCC[C@@H](C(=O)O)N(C)C MCULE-5821588618 [0,0,1,0,0,0|0,0,2]=3 153 B9R0.33 CCC[C@@H](C(=O)O)N(C)C MCULE-6045614611 [0,0,1,0,0,0|0,0,2]=3 154 B9R0.33 CCC[C@H](C(=O)O)N(C)C MCULE-3627937276 [0,0,1,0,0,0|0,0,2]=3 155 B9R0.33 CCC[C@H](C(=O)O)N(C)C MCULE-6264285545 [0,0,1,0,0,0|0,0,2]=3 156 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-2742420034 [0,0,1,0,0,0|2,0,1]=4 157 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-6750636271 [0,0,1,0,0,0|2,0,1]=4 158 B9R0.33 CCN[C@H](C(=O)N)C(C)C MCULE-9689603957 [0,0,1,0,0,0|3,0,0]=4 159 B9R0.33 CCOC(C(=O)O)C(C)C MCULE-7127552205 [0,0,1,0,0,0|2,0,1]=4 160 B9R0.33 CCSC(C(=O)O)C(C)C MCULE-3558131875 [0,0,1,0,0,0|2,0,1]=4 161 B9R0.33 CN(C)C(CCN)C(=O)N MCULE-2767580456 [0,0,1,0,0,0|2,0,1]=4 162 B9R0.33 CN(C)C(CCN)C(=O)O MCULE-8339128470 [0,0,1,0,0,0|1,0,2]=4 163 B9R0.33 CN(C)[C@@H](CCN)C(=O)O MCULE-1062850066 [0,0,1,0,0,0|1,0,2]=4 164 B9R0.33 CN(C)[C@@H](CCN)C(=O)O MCULE-3495896981 [0,0,1,0,0,0|1,0,2]=4 165 B9R0.33 CN(C)[C@@H](CCO)C(=O)O MCULE-5311348966 [0,0,1,0,0,0|1,0,2]=4 166 B9R0.33 COCC(C(=O)O)N(C)C MCULE-4810605036 [0,0,1,0,0,0|1,0,2]=4 167 B9R0.33 COCC(C(=O)O)N(C)C MCULE-7502849046 [0,0,1,0,0,0|1,0,2]=4 168 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,0,1,0,0,0|1,0,2]=4 169 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [0,0,1,0,0,0|1,0,2]=4 170 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [0,0,1,0,0,0|3,0,0]=4 171 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,0,1,0,0,0|2,0,1]=4 172 B9R0.55 CC(=O)CCCCC(C)C MCULE-8847308651 [0,0,1,0,0,0|2,0,0]=3 173 B9R0.55 CC(=O)CCCCN(C)C MCULE-4549437072 [0,0,1,0,0,0|1,0,1]=3 174 B9R0.55 CC(=O)CCOCC(C)C MCULE-8673860656 [0,0,1,0,0,0|3,0,0]=4 175 B9R0.55 CC(=O)NCCCN(C)C MCULE-9928212719 [0,0,1,0,0,0|2,0,1]=4 176 B9R0.55 CC(C)CCCCC(=O)N MCULE-5796308812 [0,0,1,0,0,0|2,0,0]=3 177 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [0,0,1,0,0,0|1,0,1]=3 178 B9R0.55 CC(C)CCOCC(=O)O MCULE-8263995178 [0,0,1,0,0,0|2,0,1]=4 179 B9R0.55 CC(C)CCSCC(=O)O MCULE-6718693744 [0,0,1,0,0,0|2,0,1]=4 180 B9R0.55 CC(C)CNCCC(=O)O MCULE-7021054047 [0,0,1,0,0,0|2,0,1]=4 181 B9R0.55 CC(C)CNCCC(=O)O MCULE-7640501484 [0,0,1,0,0,0|2,0,1]=4 182 B9R0.55 CC(C)COCCC(=O)O MCULE-6429199224 [0,0,1,0,0,0|2,0,1]=4 183 B9R0.55 CC(C)CSCCC(=O)O MCULE-9529480904 [0,0,1,0,0,0|2,0,1]=4 184 B9R0.55 CC(C)NCCCC(=O)O MCULE-4053268267 [0,0,1,0,0,0|2,0,1]=4 185 B9R0.55 CC(C)NCCCC(=O)O MCULE-8505810240 [0,0,1,0,0,0|2,0,1]=4 186 B9R0.55 CC(C)OCCCC(=O)O MCULE-8577811101 [0,0,1,0,0,0|2,0,1]=4 187 B9R0.55 CC(C)SCCCC(=O)O MCULE-7082519548 [0,0,1,0,0,0|2,0,1]=4 188 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [0,0,1,0,0,0|2,0,1]=4 189 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [0,0,1,0,0,0|2,0,1]=4 190 B9R0.55 CN(C)CCCCC(=O)O MCULE-9080305665 [0,0,1,0,0,0|0,0,2]=3 191 B9R0.55 CN(C)CCCCC(=O)O MCULE-9325797900 [0,0,1,0,0,0|0,0,2]=3 192 B9R0.55 CN(C)CCCNC(=O)N MCULE-7609255843 [0,0,1,0,0,0|2,0,1]=4 193 B9R0.55 CN(C)CCCNC(=O)N MCULE-8074263689 [0,0,1,0,0,0|2,0,1]=4 194 B9R0.55 CN(C)CCNCC(=O)O MCULE-6551648059 [0,0,1,0,0,0|1,0,2]=4 195 B9R0.55 CN(C)CCNCC(=O)O MCULE-7040720736 [0,0,1,0,0,0|1,0,2]=4 196 B9R0.55 CN(C)CCOCC(=O)O MCULE-6117066964 [0,0,1,0,0,0|1,0,2]=4 197 B9R0.55 CN(C)CCSCC(=O)O MCULE-5970767298 [0,0,1,0,0,0|1,0,2]=4 198 B9R0.55 CN(C)CCSCC(=O)O MCULE-6364036095 [0,0,1,0,0,0|1,0,2]=4 199 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [0,0,1,0,0,0|3,0,0]=4 200 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [0,0,1,0,0,0|3,0,0]=4 201 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [0,0,1,0,0,0|3,0,0]=4 202 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [0,0,1,0,0,0|3,0,0]=4 203 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [0,0,1,0,0,0|3,0,0]=4 204 B9R0.58 C=C(C)CC(C)(C)CCC MCULE-6567193721 [0,0,1,0,0,0|3,0,0]=4 205 B9R0.58 CC(O)(CCO)CC(=O)[O-] MCULE-2842724264 [0,0,1,0,0,0|3,0,0]=4 206 B9R0.58 CCCC(C)(C)CC(=O)O MCULE-3472003458 [0,0,1,0,0,0|1,0,1]=3 207 B9R0.58 CCCC(C)(O)CC(=O)O MCULE-7082436494 [0,0,1,0,0,0|2,0,1]=4 208 B9R0.58 CNCC(C)(C)CC(=O)O MCULE-9673126610 [0,0,1,0,0,0|2,0,1]=4 209 B9R0.58 COCC(C)(C)CC(=O)O MCULE-3020905492 [0,0,1,0,0,0|2,0,1]=4 210 B9R0.72 CC(C)(C)C(CN)C(=O)O MCULE-1814717719 [0,0,1,0,0,0|2,0,1]=4 211 B9R0.72 CC(C)(C)C(CN)C(=O)O MCULE-3258847627 [0,0,1,0,0,0|2,0,1]=4 212 B9R0.72 CC(C)(C)[C@@H](CN)C(=O)O MCULE-3007742472 [0,0,1,0,0,0|2,0,1]=4 213 B9R0.72 CC(C)(C)[C@@H](CN)C(=O)O MCULE-6149552678 [0,0,1,0,0,0|2,0,1]=4 214 B9R0.72 CC(C)(C)[C@H](CN)C(=O)O MCULE-1430277271 [0,0,1,0,0,0|2,0,1]=4 215 B9R0.72 CC(C)(C)[C@H](CN)C(=O)O MCULE-7160833387 [0,0,1,0,0,0|2,0,1]=4 216 B9R0.72 COC(C(=O)O)C(C)(C)C MCULE-2556771977 [0,0,1,0,0,0|2,0,1]=4 217 B9R0.72 CSC(C(=O)O)C(C)(C)C MCULE-6524033146 [0,0,1,0,0,0|2,0,1]=4 218 B11R2.142 O=C(O)C1CCCC12CC2 MCULE-6943092166 [0,0,0,1,0,0|1,0,1]=3 219 B11R2.142 O=C(O)C1CNCC12CC2 MCULE-2493064305 [0,0,0,1,0,0|2,0,1]=4 220 B11R2.142 O=C(O)C1CNCC12CC2 MCULE-6773535897 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.142 O=C(O)[C@@H]1CNCC12CC2 MCULE-9044397851 [0,0,0,1,0,0|2,0,1]=4 222 B11R2.142 O=C(O)[C@H]1CNCC12CC2 MCULE-4208481873 [0,0,0,1,0,0|2,0,1]=4 223 B9R1.166 C1(NCC1(C)C)C(=O)O MCULE-8091738282 [0,0,0,0,1,0|2,0,1]=4 224 B9R1.166 CC1(CCC1C(=O)O)C MCULE-4099946993 [0,0,0,0,1,0|1,0,1]=3 225 B9R1.166 CC1(CNC1C(=O)O)C MCULE-8386082188 [0,0,0,0,1,0|2,0,1]=4 226 B9R1.166 CC1(CNC1C(=O)O)C MCULE-9067770862 [0,0,0,0,1,0|2,0,1]=4 227 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-3707363843 [0,0,0,0,1,0|2,0,1]=4 228 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-5671349948 [0,0,0,0,1,0|2,0,1]=4 229 B9R1.166 CC1(CN[C@H]1C(=O)O)C MCULE-3480839319 [0,0,0,0,1,0|2,0,1]=4 230 B11R1.177 CC(=O)N1CCNCC1(C)C MCULE-9715001688 [0,0,0,0,0,1|3,0,0]=4 231 B11R1.177 CC1(CCCCC1C(=O)O)C MCULE-4989852289 [0,0,0,0,0,1|1,0,1]=3 232 B11R1.177 CC1(CCCCC1C(=O)O)N MCULE-1044966713 [0,0,0,0,0,1|2,0,1]=4 233 B11R1.177 CC1(CCCCC1C(=O)O)N MCULE-6249137013 [0,0,0,0,0,1|2,0,1]=4 234 B11R1.177 CC1(CCCNC1C(=O)O)C MCULE-2919768330 [0,0,0,0,0,1|1,0,1]=3 235 B11R1.177 CC1(CCCNC1C(=O)O)C MCULE-3333782777 [0,0,0,0,0,1|1,0,1]=3 236 B11R1.177 CC1(CNCCC1C(=O)O)C MCULE-6439138928 [0,0,0,0,0,1|1,0,1]=3 237 B11R1.177 CC1(COCCC1C(=O)O)C MCULE-5824022501 [0,0,0,0,0,1|1,0,1]=3 238 B11R1.177 CC1(COCCN1C(=O)Cl)C MCULE-1343826933 [0,0,0,0,0,1|3,0,0]=4 239 B11R1.177 CC1(OCCOC1C(=O)O)C MCULE-8997848711 [0,0,0,0,0,1|2,0,1]=4 240 B11R1.177 CC1(OCCO[C@@H]1C(=O)O)C MCULE-6292978884 [0,0,0,0,0,1|2,0,1]=4 241 B11R1.177 CC1(SCCNC1C(=O)O)C MCULE-3784579016 [0,0,0,0,0,1|2,0,1]=4 242 B11R1.177 CC1(SCCN[C@@H]1C(=O)O)C MCULE-1576755405 [0,0,0,0,0,1|2,0,1]=4 243 B11R1.177 CC1(SCCN[C@@H]1C(=O)O)C MCULE-3460414431 [0,0,0,0,0,1|2,0,1]=4 244 B11R1.177 C[C@@]1(CCCC[C@H]1C(=O)O)N MCULE-6684164155 [0,0,0,0,0,1|2,0,1]=4 245 B11R1.177 C[C@]1(CCCC[C@@H]1C(=O)O)N MCULE-2495356747 [0,0,0,0,0,1|2,0,1]=4 246 B11R1.177 C[C@]1(CCCC[C@@H]1C(=O)O)N MCULE-4525597115 [0,0,0,0,0,1|2,0,1]=4 247 B11R1.234 CC1(CCCC1CC(=O)O)C MCULE-1912808272 [0,0,0,0,0,1|1,0,1]=3 248 B11R1.234 CC1(CCCN1CC(=O)O)C MCULE-7697960791 [0,0,0,0,0,1|2,0,1]=4 249 B11R1.730 CC(=O)C1CCOC(C1)(C)C MCULE-6929681629 [0,0,0,0,0,1|3,0,0]=4 250 B11R1.730 CC1(CC(CCN1)C(=O)O)C MCULE-8159392480 [0,0,0,0,0,1|2,0,1]=4 251 B11R1.730 CC1(CC(CCO1)C(=O)Cl)C MCULE-1487251101 [0,0,0,0,0,1|3,0,0]=4 252 B11R1.730 CC1(CC(CCO1)C(=O)O)C MCULE-5978480117 [0,0,0,0,0,1|2,0,1]=4 253 B11R1.730 CC1(CCCC(C1)C(=O)O)C MCULE-1597122526 [0,0,0,0,0,1|1,0,1]=3 254 B11R1.730 CC1(CCCC(C1)N(=O)=O)C MCULE-7126787436 [0,0,0,0,0,1|2,0,1]=4 255 B11R1.730 CC1(CCCC(O1)C(=O)O)C MCULE-6134883479 [0,0,0,0,0,1|1,0,1]=3 256 B11R1.730 CC1(CCCN(C1)C(=O)Cl)C MCULE-7087297832 [0,0,0,0,0,1|3,0,0]=4 257 B11R1.730 CC1(CCNC(C1)C(=O)O)C MCULE-1186852121 [0,0,0,0,0,1|2,0,1]=4 258 B11R1.730 CC1(CCNC(C1)C(=O)O)C MCULE-5031883785 [0,0,0,0,0,1|2,0,1]=4 259 B11R1.730 CC1(CNCC(O1)C(=O)O)C MCULE-3850941228 [0,0,0,0,0,1|2,0,1]=4 260 B11R1.730 CC1(CNCC(O1)C(=O)O)C MCULE-4368873526 [0,0,0,0,0,1|2,0,1]=4 261 B11R1.730 CC1(COCC(N1)C(=O)O)C MCULE-9878578908 [0,0,0,0,0,1|2,0,1]=4 262 B11R1.730 CC1(COCC(O1)C(=O)O)C MCULE-8209803482 [0,0,0,0,0,1|2,0,1]=4 263 B8R0.2 CCC(C)C(C)C(=O)C MCULE-4030096724 [1,0,1,0,0,0|2,0,0]=4 264 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [1,0,1,0,0,0|1,0,1]=4 265 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [1,0,1,0,0,0|0,0,2]=4 266 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [1,0,1,0,0,0|0,0,2]=4 267 B8R0.27 CC(C(=O)O)C(C)(C)C MCULE-5931607530 [1,0,1,0,0,0|1,0,1]=4 268 B8R0.27 C[C@@H](C(=O)[O-])[N+](C)(C)C MCULE-7808968396 [1,0,1,0,0,0|0,0,0]=2 269 B8R0.34 CC(C)(CO)CC(=O)[O-] MCULE-9214676521 [1,0,1,0,0,0|2,0,0]=4 270 B8R0.34 CCC(C)(C)CC(=O)C MCULE-9050476347 [1,0,1,0,0,0|2,0,0]=4 271 B8R0.34 CCC(C)(C)CC(=O)O MCULE-7231252497 [1,0,1,0,0,0|1,0,1]=4 272 B8R0.15 CCCC(CC)C(=O)C MCULE-3483794250 [1,0,1,0,0,0|2,0,0]=4 273 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [1,0,1,0,0,0|1,0,1]=4 274 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [1,0,1,0,0,0|0,0,2]=4 275 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [1,0,1,0,0,0|0,0,2]=4 276 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [1,0,1,0,0,0|0,0,2]=4 277 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [1,0,1,0,0,0|1,0,1]=4 278 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [1,0,1,0,0,0|0,0,2]=4 279 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [1,0,1,0,0,0|0,0,2]=4 280 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [1,0,1,0,0,0|0,0,2]=4 281 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [1,0,1,0,0,0|0,0,2]=4 282 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [1,0,1,0,0,0|0,0,2]=4 283 B8R0.18 CC(C)C(CO)C(=O)[O-] MCULE-8769338268 [1,0,1,0,0,0|2,0,0]=4 284 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-6595833151 [1,0,1,0,0,0|2,0,0]=4 285 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-8541174028 [1,0,1,0,0,0|2,0,0]=4 286 B8R0.18 CCC(C(=O)C)C(C)C MCULE-3028115393 [1,0,1,0,0,0|2,0,0]=4 287 B8R0.18 CCC(C(=O)O)C(C)C MCULE-5914693527 [1,0,1,0,0,0|1,0,1]=4 288 B8R0.18 CCC(C(=O)O)N(C)C MCULE-4235177725 [1,0,1,0,0,0|0,0,2]=4 289 B8R0.18 CC[C@@H](C(=O)O)N(C)C MCULE-3756764540 [1,0,1,0,0,0|0,0,2]=4 290 B8R0.18 CC[C@H](C(=O)O)N(C)C MCULE-4719850768 [1,0,1,0,0,0|0,0,2]=4 291 B8R0.7 CC(C)CCCCC=O MCULE-9268976664 [1,0,1,0,0,0|1,0,0]=3 292 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [1,0,1,0,0,0|2,0,0]=4 293 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [1,0,1,0,0,0|2,0,0]=4 294 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [1,0,1,0,0,0|2,0,0]=4 295 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [1,0,1,0,0,0|1,0,1]=4 296 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [1,0,1,0,0,0|1,0,0]=3 297 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [1,0,1,0,0,0|0,0,2]=4 298 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [1,0,1,0,0,0|0,0,2]=4 299 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [1,0,1,0,0,0|1,0,1]=4 300 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [1,0,1,0,0,0|1,0,1]=4 301 B8R0.7 NCCCCCC(=O)[O-] MCULE-7336458907 [1,0,1,0,0,0|2,0,0]=4 302 B8R0.7 O=C([O-])CCCCCCl MCULE-7341419838 [1,0,1,0,0,0|2,0,0]=4 303 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [1,0,1,0,0,0|2,0,0]=4 304 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [1,0,1,0,0,0|2,0,0]=4 305 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [1,0,1,0,0,0|2,0,0]=4 306 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [1,0,1,0,0,0|1,0,1]=4 307 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [1,0,1,0,0,0|0,0,2]=4 308 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [1,0,1,0,0,0|0,0,2]=4 309 B8R0.30 C=CCC(C)(C)CCC MCULE-8170673795 [1,0,1,0,0,0|2,0,0]=4 310 B8R1.11 CC1OCCC1C=O MCULE-5505705817 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.11 CN1CCC[C@H]1C=O MCULE-5852490757 [2,0,0,0,0,0|0,0,1]=3 312 B8R1.19 CC1(CCCC1=O)C MCULE-2010694408 [2,0,0,0,0,0|1,0,1]=4 313 B8R1.19 CC1(CCCC1Br)C MCULE-7575471396 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.19 CC1(CCCC1N)C MCULE-5921379560 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.19 CC1(CCCC1N)C MCULE-8867080038 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.19 CC1(CCCC1O)C MCULE-4878410443 [2,0,0,0,0,0|1,0,1]=4 317 B8R1.19 CC1(CCC[C@@H]1N)C MCULE-2097025606 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.19 CC1(CCC[C@@H]1O)C MCULE-9402548740 [2,0,0,0,0,0|1,0,1]=4 319 B8R1.19 CC1(CCC[C@H]1O)C MCULE-3856604720 [2,0,0,0,0,0|1,0,1]=4 320 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [2,0,0,0,0,0|1,0,1]=4 321 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [2,0,0,0,0,0|1,0,1]=4 322 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [2,0,0,0,0,0|1,0,1]=4 324 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [2,0,0,0,0,0|1,0,1]=4 325 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [2,0,0,0,0,0|1,0,1]=4 327 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [2,0,0,0,0,0|1,0,1]=4 328 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [2,0,0,0,0,0|1,0,1]=4 329 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [2,0,0,0,0,0|1,0,1]=4 330 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [2,0,0,0,0,0|1,0,1]=4 333 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [2,0,0,0,0,0|1,0,1]=4 334 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [2,0,0,0,0,0|1,0,1]=4 337 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [2,0,0,0,0,0|1,0,1]=4 338 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [2,0,0,0,0,0|1,0,1]=4 340 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [2,0,0,0,0,0|1,0,1]=4 341 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [2,0,0,0,0,0|1,0,1]=4 342 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [2,0,0,0,0,0|1,0,1]=4 343 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [2,0,0,0,0,0|1,0,1]=4 346 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [2,0,0,0,0,0|1,0,1]=4 347 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [2,0,0,0,0,0|1,0,1]=4 348 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [2,0,0,0,0,0|1,0,1]=4 349 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [2,0,0,0,0,0|1,0,1]=4 352 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [2,0,0,0,0,0|0,0,2]=4 353 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [2,0,0,0,0,0|0,0,2]=4 354 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [2,0,0,0,0,0|0,0,2]=4 355 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [2,0,0,0,0,0|0,0,2]=4 356 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [2,0,0,0,0,0|1,0,1]=4 357 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [2,0,0,0,0,0|1,0,1]=4 358 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [2,0,0,0,0,0|1,0,1]=4 359 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [2,0,0,0,0,0|0,0,2]=4 360 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [2,0,0,0,0,0|0,0,2]=4 361 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [2,0,0,0,0,0|0,0,2]=4 362 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [2,0,0,0,0,0|0,0,2]=4 363 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [2,0,0,0,0,0|1,0,1]=4 364 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [2,0,0,0,0,0|1,0,1]=4 365 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [2,0,0,0,0,0|0,0,2]=4 366 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [2,0,0,0,0,0|0,0,2]=4 367 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [2,0,0,0,0,0|1,0,1]=4 368 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [2,0,0,0,0,0|1,0,1]=4 369 B8R1.7 O=C([O-])C1CCC=N1 MCULE-3235635441 [2,0,0,0,0,0|0,0,2]=4 370 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [2,0,0,0,0,0|0,0,1]=3 371 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [2,0,0,0,0,0|1,0,1]=4 372 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [2,0,0,0,0,0|0,0,1]=3 373 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [2,0,0,0,0,0|0,0,1]=3 374 B8R1.7 O=S([O-])C1CCCC1 MCULE-4973639131 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.7 O=S([O-])C1CCCC1 MCULE-9227389818 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [2,0,0,0,0,0|1,0,1]=4 377 B10R0.17 CCCCC(C(=O)N)N(C)C MCULE-7015491719 [0,1,1,0,0,0|1,0,1]=4 378 B10R0.17 CCCCC(C(=O)O)C(C)C MCULE-9724362832 [0,1,1,0,0,0|1,0,1]=4 379 B10R0.17 CCCCC(C(=O)O)N(C)C MCULE-6841521624 [0,1,1,0,0,0|0,0,2]=4 380 B10R0.17 CCCC[C@H](C(=O)O)N(C)C MCULE-9240540420 [0,1,1,0,0,0|0,0,2]=4 381 B10R0.17 CCCNC(C(=O)O)C(C)C MCULE-3668478974 [0,1,1,0,0,0|1,0,1]=4 382 B10R0.17 CCCNC(C(=O)O)C(C)C MCULE-6730955968 [0,1,1,0,0,0|1,0,1]=4 383 B10R0.17 CSCCC(C(=O)O)N(C)C MCULE-9926404769 [0,1,1,0,0,0|0,0,2]=4 384 B10R0.17 CSCC[C@@H](C(=O)O)N(C)C MCULE-5085715326 [0,1,1,0,0,0|0,0,2]=4 385 B10R0.17 CSCC[C@H](C(=O)O)N(C)C MCULE-7026121281 [0,1,1,0,0,0|0,0,2]=4 386 B10R0.30 CCCC(C(=O)OC)N(C)C MCULE-3275725769 [0,1,1,0,0,0|0,0,2]=4 387 B10R0.118 CCC(C)C(C(=O)N)N(C)C MCULE-5054633727 [0,1,1,0,0,0|1,0,1]=4 388 B10R0.118 CCC(C)C(C(=O)O)N(C)C MCULE-9389725198 [0,1,1,0,0,0|0,0,2]=4 389 B10R0.149 CCCC(C)(C(=O)N)N(C)C MCULE-4504388416 [0,1,1,0,0,0|1,0,1]=4 390 B10R0.149 CCCC(C)(C(=O)O)N(C)C MCULE-6567289499 [0,1,1,0,0,0|0,0,2]=4 391 B10R0.162 CC(C)CC(C(=O)O)C(C)C MCULE-4248316159 [0,1,1,0,0,0|1,0,1]=4 392 B10R0.162 CC(C)CC(C(=O)O)N(C)C MCULE-8621033381 [0,1,1,0,0,0|0,0,2]=4 393 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C MCULE-1873302176 [0,1,1,0,0,0|0,0,2]=4 394 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C MCULE-3984621368 [0,1,1,0,0,0|0,0,2]=4 395 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C MCULE-9030900716 [0,1,1,0,0,0|0,0,2]=4 396 B10R0.162 CC(C)C[C@H](C(=O)O)N(C)C MCULE-9275409593 [0,1,1,0,0,0|0,0,2]=4 397 B10R0.15 CC(C)(C)CCCCC(=O)O MCULE-8286567269 [0,1,1,0,0,0|1,0,1]=4 398 B10R0.15 C[N+](C)(C)CCCCC(=O)[O-] MCULE-4329658120 [0,1,1,0,0,0|0,0,0]=2 399 B10R0.15 C[N+](C)(C)CCCCC(=O)[O-] MCULE-9469838787 [0,1,1,0,0,0|0,0,0]=2 400 B10R0.15 C[Si](C)(C)CCCCC(=O)O MCULE-8618985909 [0,1,1,0,0,0|1,0,1]=4 401 B10R0.55 CCC(C)CCCCC(=O)O MCULE-5735580085 [0,1,1,0,0,0|1,0,1]=4 402 B10R0.96 CC(C)CCC(C)CC(=O)O MCULE-4888752092 [0,1,1,0,0,0|1,0,1]=4 403 B10R0.98 CC(C)CCCC(C)C(=O)O MCULE-3667108752 [0,1,1,0,0,0|1,0,1]=4 404 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-5699505174 [0,1,1,0,0,0|1,0,1]=4 405 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-8151358815 [0,1,1,0,0,0|1,0,1]=4 406 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-3341158972 [0,1,1,0,0,0|1,0,1]=4 407 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-6452147303 [0,1,1,0,0,0|1,0,1]=4 408 B10R0.98 CN(C)CCC[C@H](N)C(=O)O MCULE-9481059271 [0,1,1,0,0,0|0,0,2]=4 409 B10R0.61 CCC(C(=O)OC)[N+](C)(C)C MCULE-2988676827 [0,1,1,0,0,0|0,0,1]=3 410 B10R0.61 CCC(C(=O)OC)[N+](C)(C)C MCULE-3879012609 [0,1,1,0,0,0|0,0,1]=3 411 B10R1.40 CCC1CCC[N+]1(C)CC MCULE-6676026586 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.40 CCC1CCC[N+]1(C)CC MCULE-7674238820 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.43 C[N+]1(CCC(N1C=O)O)C MCULE-3852553284 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.43 C[N+]1(CCC(N1C=O)O)C MCULE-7802152431 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.39 CCC1CCCC1C(=O)O MCULE-2134315765 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.39 CCN1CCCC1C(=O)O MCULE-9170639085 [1,1,0,0,0,0|0,0,2]=4 417 B10R1.39 CCN1CCC[C@@H]1C(=O)N MCULE-2931781805 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.39 CCN1CCC[C@@H]1C(=O)O MCULE-6272401541 [1,1,0,0,0,0|0,0,2]=4 419 B10R1.39 CCN1CCC[C@H]1C(=O)N MCULE-7196500635 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.39 CCN1CCC[C@H]1C(=O)N MCULE-8340783541 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.39 CCN1CCC[C@H]1C(=O)O MCULE-4672768595 [1,1,0,0,0,0|0,0,2]=4 422 B10R1.39 CCN1CCC[C@H]1C(=O)O MCULE-5066096497 [1,1,0,0,0,0|0,0,2]=4 423 B10R1.39 COC1CCCC1C(=O)O MCULE-6165424004 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.39 CSC1CCCC1C(=O)O MCULE-7830513386 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.39 NCC1CCCC1C(=O)O MCULE-5775773821 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.39 NCC1CCCC1C(=O)O MCULE-6872336527 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.59 CC1CC(N(C1)C)C(=O)O MCULE-1544526499 [1,1,0,0,0,0|0,0,2]=4 428 B10R1.59 CC1CC(N(C1)C)C(=O)O MCULE-4035906246 [1,1,0,0,0,0|0,0,2]=4 429 B10R1.59 CN1CC(CC1C(=O)O)N MCULE-7362090633 [1,1,0,0,0,0|0,0,2]=4 430 B10R1.59 CN1CC(CC1C(=O)O)O MCULE-6963505872 [1,1,0,0,0,0|0,0,2]=4 431 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O MCULE-7645006550 [1,1,0,0,0,0|0,0,2]=4 432 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)F MCULE-1701571164 [1,1,0,0,0,0|0,0,2]=4 433 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)F MCULE-3801669792 [1,1,0,0,0,0|0,0,2]=4 434 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)O MCULE-4289101461 [1,1,0,0,0,0|0,0,2]=4 435 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)O MCULE-5652344615 [1,1,0,0,0,0|0,0,2]=4 436 B10R1.59 CN1C[C@H](C[C@@H]1C(=O)O)O MCULE-4231676044 [1,1,0,0,0,0|0,0,2]=4 437 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)N MCULE-7565756526 [1,1,0,0,0,0|0,0,2]=4 438 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)N MCULE-8931908939 [1,1,0,0,0,0|0,0,2]=4 439 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O MCULE-2551559641 [1,1,0,0,0,0|0,0,2]=4 440 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O MCULE-4981449681 [1,1,0,0,0,0|0,0,2]=4 441 B10R1.59 C[C@@H]1C[C@H](N(C1)C)C(=O)O MCULE-3249388528 [1,1,0,0,0,0|0,0,2]=4 442 B10R1.59 C[C@@H]1C[C@H](N(C1)C)C(=O)O MCULE-5892295670 [1,1,0,0,0,0|0,0,2]=4 443 B10R1.59 C[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-1379494499 [1,1,0,0,0,0|0,0,2]=4 444 B10R1.59 C[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-1502363575 [1,1,0,0,0,0|0,0,2]=4 445 B10R1.59 C[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-1565262465 [1,1,0,0,0,0|0,0,2]=4 446 B10R1.59 C[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-4515635703 [1,1,0,0,0,0|0,0,2]=4 447 B10R1.59 [C@H]1(C[C@H](CN1C)C)C(=O)O MCULE-6457651208 [1,1,0,0,0,0|0,0,2]=4 448 B10R1.149 COC(=O)C1CCCN1C MCULE-4362840235 [1,1,0,0,0,0|0,0,2]=4 449 B10R1.149 COC(=O)C1CCCN1C MCULE-5596975421 [1,1,0,0,0,0|0,0,2]=4 450 B10R1.149 COC(=O)[C@@H]1CCCN1C MCULE-1885742091 [1,1,0,0,0,0|0,0,2]=4 451 B10R1.149 COC(=O)[C@@H]1CCCN1C MCULE-9974114171 [1,1,0,0,0,0|0,0,2]=4 452 B10R1.149 COC(=O)[C@H]1CCCN1C MCULE-4739167857 [1,1,0,0,0,0|0,0,2]=4 453 B10R1.149 COC(=O)[C@H]1CCCN1C MCULE-5685325244 [1,1,0,0,0,0|0,0,2]=4 454 B10R1.194 CC1CCC(N1C)C(=O)O MCULE-1631473352 [1,1,0,0,0,0|0,0,2]=4 455 B10R1.194 C[C@@H]1CC[C@H](N1C)C(=O)O MCULE-5064787674 [1,1,0,0,0,0|0,0,2]=4 456 B10R1.194 C[C@@H]1CC[C@H](N1C)C(=O)O MCULE-5375480697 [1,1,0,0,0,0|0,0,2]=4 457 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-2143702379 [1,1,0,0,0,0|0,0,2]=4 458 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-3730566868 [1,1,0,0,0,0|0,0,2]=4 459 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-7974927719 [1,1,0,0,0,0|0,0,2]=4 460 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-9806319171 [1,1,0,0,0,0|0,0,2]=4 461 B10R1.291 CC1CCCC1(C)C(=O)O MCULE-3149463709 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.291 CN1CCCC1(C)C(=O)O MCULE-3073966944 [1,1,0,0,0,0|0,0,2]=4 463 B10R1.291 CN1CCC[C@@]1(C)C(=O)O MCULE-3527940712 [1,1,0,0,0,0|0,0,2]=4 464 B10R1.291 CN1CCC[C@]1(C)C(=O)O MCULE-2144267845 [1,1,0,0,0,0|0,0,2]=4 465 B10R1.83 CC1(C(CC1C(=O)O)N)C MCULE-1760692606 [0,1,0,0,1,0|1,0,1]=4 466 B10R1.83 CC1(C(CC1C(=O)O)N)C MCULE-6477382898 [0,1,0,0,1,0|1,0,1]=4 467 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-1367965106 [0,1,0,0,1,0|1,0,1]=4 468 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-5181157821 [0,1,0,0,1,0|1,0,1]=4 469 B10R1.83 CC1([C@H](C[C@@H]1C(=O)O)N)C MCULE-9629419450 [0,1,0,0,1,0|1,0,1]=4 470 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-1255189062 [0,1,0,0,1,0|1,0,1]=4 471 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-1573159970 [0,1,0,0,1,0|1,0,1]=4 472 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-3597897261 [0,1,0,0,1,0|1,0,1]=4 473 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-5950701932 [0,1,0,0,1,0|1,0,1]=4 474 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-6764578128 [0,1,0,0,1,0|1,0,1]=4 475 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C MCULE-8635317976 [0,1,0,0,1,0|1,0,1]=4 476 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-2623468295 [0,1,0,0,1,0|1,0,1]=4 477 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-4157898594 [0,1,0,0,1,0|1,0,1]=4 478 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-8831652749 [0,1,0,0,1,0|1,0,1]=4 479 B10R1.83 CC1([C@H](C[C@H]1N)C(=O)O)C MCULE-8994723547 [0,1,0,0,1,0|1,0,1]=4 480 B12R1.366 COC(=O)C1CCNCC1(C)C MCULE-6112690269 [0,1,0,0,0,1|1,0,1]=4 481 B12R1.366 COC(=O)C1CCNCC1(C)C MCULE-7798316897 [0,1,0,0,0,1|1,0,1]=4 482 B12R1.1280 CC1(CC(=O)CCC1C(=O)O)C MCULE-6356306352 [0,1,0,0,0,1|1,0,1]=4 483 B12R1.3005 C[C@H]1C[C@H](CC(C1)(C)C)C(=O)O MCULE-1133384955 [0,1,0,0,0,1|1,0,1]=4 484 B12R1.3097 CC1(CCCC(C1)(N)C(=O)O)C MCULE-4405441646 [0,1,0,0,0,1|1,0,1]=4 485 B12R1.3097 CC1(CCCC(C1)(O)C(=O)O)C MCULE-5633126153 [0,1,0,0,0,1|1,0,1]=4 486 B12R1.317 CCOC(=O)C1CCC[N+]1(C)C MCULE-5921545924 [0,2,0,0,0,0|0,0,1]=3 487 B12R1.317 CCOC(=O)C1CCC[N+]1(C)C MCULE-9997722728 [0,2,0,0,0,0|0,0,1]=3 488 B12R1.3446 COC(=O)C1(CCCC1(C)C)N MCULE-7130432785 [0,2,0,0,0,0|1,0,1]=4 489 B12R1.3889 CC1CCC(C1(C)C)(C)C(=O)O MCULE-7103968702 [0,2,0,0,0,0|1,0,1]=4 490 B10R1.61 CC(=O)C1CCCCC1C MCULE-9283684652 [0,0,1,1,0,0|2,0,0]=4 491 B10R1.61 CC(C)C1CCCCC1=O MCULE-1690446832 [0,0,1,1,0,0|2,0,0]=4 492 B10R1.61 CC1CCCCC1C(=O)Cl MCULE-7597713129 [0,0,1,1,0,0|2,0,0]=4 493 B10R1.61 CC1CCCCC1C(=O)O MCULE-3305682191 [0,0,1,1,0,0|1,0,1]=4 494 B10R1.61 CN(C)C1CCCCC1=O MCULE-3409334876 [0,0,1,1,0,0|1,0,1]=4 495 B10R1.61 CN(C)C1CCCNC1=O MCULE-1669490004 [0,0,1,1,0,0|1,0,1]=4 496 B10R1.61 CN1CCCCC1C(=O)O MCULE-3456275150 [0,0,1,1,0,0|0,0,2]=4 497 B10R1.61 CN1CCCCC1C(=O)O MCULE-6372652181 [0,0,1,1,0,0|0,0,2]=4 498 B10R1.61 CN1CCCCC1C(=O)O MCULE-7834522939 [0,0,1,1,0,0|0,0,2]=4 499 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-2245294368 [0,0,1,1,0,0|0,0,2]=4 500 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-2258119449 [0,0,1,1,0,0|0,0,2]=4 501 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-4757725445 [0,0,1,1,0,0|0,0,2]=4 502 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-9648696079 [0,0,1,1,0,0|0,0,2]=4 503 B10R1.61 CN1CCCC[C@H]1C(=O)O MCULE-5396822712 [0,0,1,1,0,0|0,0,2]=4 504 B10R1.61 CN1CCCC[C@H]1C(=O)O MCULE-5529863786 [0,0,1,1,0,0|0,0,2]=4 505 B10R1.61 O=C([O-])C1CCCCC1=O MCULE-2483955816 [0,0,1,1,0,0|2,0,0]=4 506 B10R1.61 O=C([O-])C1CCCCN1O MCULE-1323846734 [0,0,1,1,0,0|1,0,1]=4 507 B10R1.165 CCC1CN(C1C(=O)O)C MCULE-5939427175 [0,0,1,1,0,0|0,0,2]=4 508 B10R1.165 CCC1CN([C@@H]1C(=O)O)C MCULE-3015108374 [0,0,1,1,0,0|0,0,2]=4 509 B10R1.165 CCC1CN([C@@H]1C(=O)O)C MCULE-3864383046 [0,0,1,1,0,0|0,0,2]=4 510 B10R1.357 CN(C)C(C(=O)N)C1CC1 MCULE-6446439310 [0,0,1,1,0,0|1,0,1]=4 511 B10R1.357 CN(C)C(C(=O)O)C1CC1 MCULE-1393608765 [0,0,1,1,0,0|0,0,2]=4 512 B10R1.357 CN(C)[C@H](C(=O)O)C1CC1 MCULE-9576218231 [0,0,1,1,0,0|0,0,2]=4 513 B10R1.364 CC(C)C1(CCC1)C(=O)O MCULE-5390430803 [0,0,1,1,0,0|1,0,1]=4 514 B10R1.364 CN(C)C1(CCC1)C(=O)N MCULE-1815055749 [0,0,1,1,0,0|1,0,1]=4 515 B10R1.364 CN(C)C1(CCC1)C(=O)O MCULE-2624761605 [0,0,1,1,0,0|0,0,2]=4 516 B10R1.364 CN(C)C1(CCC1)C(=O)O MCULE-5134554212 [0,0,1,1,0,0|0,0,2]=4 517 B10R1.54 CC(C)CC1CCC(=O)C1 MCULE-8411928960 [0,0,1,1,0,0|2,0,0]=4 518 B10R1.54 CC1CCC(C1)CC(=O)O MCULE-2712956835 [0,0,1,1,0,0|1,0,1]=4 519 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-6518175603 [0,0,1,1,0,0|0,0,2]=4 520 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-7858558191 [0,0,1,1,0,0|0,0,2]=4 521 B10R1.82 CC1CC(C1)CCC(=O)O MCULE-4964737509 [0,0,1,1,0,0|1,0,1]=4 522 B10R1.113 CC(=O)C1CCCN(C1)C MCULE-4171786992 [0,0,1,1,0,0|1,0,1]=4 523 B10R1.113 CC(=O)C1CCCN(C1)C MCULE-6409364695 [0,0,1,1,0,0|1,0,1]=4 524 B10R1.113 CC(C)C1CCCC(=O)C1 MCULE-1852539155 [0,0,1,1,0,0|2,0,0]=4 525 B10R1.113 CC1CCCC(C1)C(=O)O MCULE-1709216331 [0,0,1,1,0,0|1,0,1]=4 526 B10R1.113 CN(C)C1CCCC(=O)C1 MCULE-4182732357 [0,0,1,1,0,0|1,0,1]=4 527 B10R1.113 CN(C)C1CCCC(=O)C1 MCULE-9899445769 [0,0,1,1,0,0|1,0,1]=4 528 B10R1.113 CN1CCCC(C1)C(=O)Cl MCULE-2256974113 [0,0,1,1,0,0|1,0,1]=4 529 B10R1.113 CN1CCCC(C1)C(=O)Cl MCULE-6072454792 [0,0,1,1,0,0|1,0,1]=4 530 B10R1.113 CN1CCCC(C1)C(=O)N MCULE-2482020070 [0,0,1,1,0,0|1,0,1]=4 531 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-2577677138 [0,0,1,1,0,0|0,0,2]=4 532 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-9093982856 [0,0,1,1,0,0|0,0,2]=4 533 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3472059995 [0,0,1,1,0,0|0,0,2]=4 534 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3661518240 [0,0,1,1,0,0|0,0,2]=4 535 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-4244061094 [0,0,1,1,0,0|0,0,2]=4 536 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-1368409828 [0,0,1,1,0,0|0,0,2]=4 537 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-2079226353 [0,0,1,1,0,0|0,0,2]=4 538 B10R1.113 C[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-4534640450 [0,0,1,1,0,0|1,0,1]=4 539 B10R1.113 C[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2658835025 [0,0,1,1,0,0|1,0,1]=4 540 B10R1.113 C[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2151963828 [0,0,1,1,0,0|1,0,1]=4 541 B10R1.113 C[C@H]1CCC[C@H](C1)C(=O)O MCULE-9191189376 [0,0,1,1,0,0|1,0,1]=4 542 B10R1.113 [C@H]1(CCCN(C1)C)C(=O)O MCULE-4364645223 [0,0,1,1,0,0|0,0,2]=4 543 B10R1.126 O=C(O)CCCCC1CC1 MCULE-2606424315 [0,0,1,1,0,0|1,0,1]=4 544 B10R1.352 CC1(CC1CCC(=O)O)C MCULE-6164876776 [0,0,1,1,0,0|1,0,1]=4 545 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O MCULE-7367162008 [0,0,1,1,0,0|1,0,1]=4 546 B10R1.329 CC1CC(=O)CC(C1)(C)C MCULE-9871375617 [0,0,1,1,0,0|2,0,0]=4 547 B10R1.329 C[C@H]1CC(=O)CC(C1)(C)C MCULE-8164278833 [0,0,1,1,0,0|2,0,0]=4 548 B10R1.358 CC(C)(CC(=O)O)C1CC1 MCULE-9099960685 [0,0,1,1,0,0|1,0,1]=4 549 B10R1.370 CC1(CCCC1)CC(=O)O MCULE-4967984413 [0,0,1,1,0,0|1,0,1]=4 550 B10R1.366 C[Si](C)(C)C1(CC1)C(=O)O MCULE-1871319977 [0,0,1,1,0,0|1,0,1]=4 551 B10R2.117 CC12CCCC1C(=O)N2 MCULE-9281165627 [1,0,0,1,0,0|2,0,0]=4 552 B10R2.20 CN1C2CCC1C(=O)C2 MCULE-2169813004 [1,0,0,1,0,0|1,0,1]=4 553 B10R2.32 O=C1CCC2C1CCC2 MCULE-7663799084 [1,0,0,1,0,0|2,0,0]=4 554 B10R2.32 O=C1CCN2C1CCC2 MCULE-3092093752 [1,0,0,1,0,0|1,0,1]=4 555 B10R2.32 O=C1CCN2C1CCC2 MCULE-4507826088 [1,0,0,1,0,0|1,0,1]=4 556 B10R2.32 O=C1CCN2C1CCC2 MCULE-7547906890 [1,0,0,1,0,0|1,0,1]=4 557 B10R2.32 O=C1OCC2C1CCC2 MCULE-1680539728 [1,0,0,1,0,0|1,0,1]=4 558 B10R2.32 [C@H]12CCC[C@H]1C(=O)OC2 MCULE-7791113994 [1,0,0,1,0,0|1,0,1]=4 559 B10R2.63 CN1CC2CC(=O)C1C2 MCULE-2081683305 [1,0,0,1,0,0|1,0,1]=4 560 B10R2.344 O=C(O)C12CCCC1C2 MCULE-1433395114 [1,0,0,1,0,0|1,0,1]=4 561 B10R2.358 O=C(O)C1CCC12CC2 MCULE-5575310904 [0,0,0,1,1,0|1,0,1]=4 562 B12R2.3091 CC1(OCC2C1(C2)C(=O)O)C MCULE-2976665002 [0,0,0,1,0,1|1,0,1]=4 563 B12R2.1140 C[N+]1(C2CCC1CC(=O)C2)C MCULE-3519451972 [0,0,0,1,0,1|1,0,0]=3 564 B12R2.1140 C[N+]1(C2CCC1CC(=O)C2)C MCULE-9302281271 [0,0,0,1,0,1|1,0,0]=3 565 B12R2.3181 O=C(O)C1CCCC2(C1)CC2 MCULE-4492465897 [0,0,0,1,0,1|1,0,1]=4 566 B12R2.3181 O=C(O)[C@H]1CCCC2(C1)CC2 MCULE-6739136358 [0,0,0,1,0,1|1,0,1]=4 567 B12R2.2325 C[N+]12CCCC1C(=O)NCC2 MCULE-4717919451 [0,1,0,1,0,0|1,0,0]=3 568 B12R2.2325 C[N+]12CCCC1C(=O)NCC2 MCULE-5961756126 [0,1,0,1,0,0|1,0,0]=3 569 B12R2.2825 CC12CCC(C1(C)C)C(=O)C2 MCULE-4291131360 [0,1,0,1,0,0|2,0,0]=4 570 B12R2.3092 CC1(C2CCC1(C2)C(=O)O)C MCULE-2184723738 [0,1,0,1,0,0|1,0,1]=4 571 B12R2.2786 CC1(C2CCC1(C(=O)C2)N)C MCULE-7771424471 [0,1,0,1,0,0|2,0,0]=4 572 B12R2.2786 CC1(C2CC[C@]1(C(=O)C2)C)C MCULE-2447445995 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.2786 CC1(C2CC[C@]1(C(=O)C2)C)C MCULE-7866531757 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.2786 CC1([C@@H]2CC[C@]1(C(=O)C2)C)C MCULE-8475137009 [0,1,0,1,0,0|2,0,0]=4 575 B12R2.2786 CC1([C@H]2CC[C@@]1(C(=O)C2)C)C MCULE-3384918407 [0,1,0,1,0,0|2,0,0]=4 576 B12R2.2786 CC1([C@H]2CC[C@@]1(C(=O)C2)C)C MCULE-8091672466 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.2786 CC12CCC(C1(C)C)CC2=O MCULE-2476865084 [0,1,0,1,0,0|2,0,0]=4 578 B12R2.2786 [C@H]12CC[C@](C1(C)C)(C(=O)C2)C MCULE-4378124154 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.2786 [C@H]12CC[C@](C1(C)C)(C(=O)C2)C MCULE-6983673371 [0,1,0,1,0,0|2,0,0]=4 580 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [0,0,1,0,1,0|2,0,0]=4 581 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [0,0,1,0,1,0|1,0,1]=4 582 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,0,1,0,1,0|1,0,1]=4 583 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,0,1,0,1,0|2,0,0]=4 584 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [0,0,1,0,1,0|1,0,1]=4 585 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [0,0,1,0,1,0|1,0,1]=4 586 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,0,1,0,1,0|0,0,2]=4 587 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,0,1,0,1,0|0,0,2]=4 588 B8R0.12 CC(C)(CCO)C(=O)[O-] MCULE-5034791567 [0,0,1,0,1,0|2,0,0]=4 589 B8R0.12 CCCC(C)(C)C(=O)C MCULE-3472590451 [0,0,1,0,1,0|2,0,0]=4 590 B8R0.12 CCCC(C)(C)C(=O)Cl MCULE-1035499713 [0,0,1,0,1,0|2,0,0]=4 591 B8R0.12 CCCC(C)(C)C(=O)O MCULE-7950118630 [0,0,1,0,1,0|1,0,1]=4 592 B8R1.48 CC1(CCC1C=O)C MCULE-7554232893 [1,0,0,0,1,0|1,0,0]=3 593 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [1,0,0,0,1,0|0,0,2]=4 594 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [1,0,0,0,1,0|2,0,0]=4 595 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [1,0,0,0,1,0|1,0,1]=4 596 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [1,0,0,0,1,0|0,0,2]=4 597 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [1,0,0,0,1,0|0,0,2]=4 598 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [1,0,0,0,1,0|0,0,2]=4 599 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [1,0,0,0,1,0|0,0,2]=4 600 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [1,0,0,0,1,0|0,0,2]=4 601 B8R1.77 C1(CC1(C)C)C(=O)N MCULE-5718477060 [0,0,0,0,2,0|2,0,0]=4 602 B8R1.77 CC(=O)C1CC1(C)C MCULE-5036637605 [0,0,0,0,2,0|2,0,0]=4 603 B8R1.77 CC1(CC1C(=O)Cl)C MCULE-4090499692 [0,0,0,0,2,0|2,0,0]=4 604 B8R1.77 CC1(CC1C(=O)N)C MCULE-5357702152 [0,0,0,0,2,0|2,0,0]=4 605 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [0,0,0,0,2,0|1,0,1]=4 606 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-5378835991 [0,0,0,0,2,0|2,0,0]=4 607 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-9161411761 [0,0,0,0,2,0|2,0,0]=4 608 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [0,0,0,0,2,0|1,0,1]=4 609 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [0,0,0,0,2,0|1,0,1]=4 610 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [0,0,0,0,2,0|1,0,1]=4 611 B8R1.77 [C@H]1(CC1(C)C)C(=O)N MCULE-6467459637 [0,0,0,0,2,0|2,0,0]=4 612 B10R0.23 CC(C)CC(CCO)C(=O)[O-] MCULE-4548605892 [0,0,1,0,0,1|2,0,0]=4 613 B10R0.23 CC(C)CC(CCO)C(=O)[O-] MCULE-9161317315 [0,0,1,0,0,1|2,0,0]=4 614 B10R0.23 CCCC(CC(C)C)C(=O)O MCULE-1147118949 [0,0,1,0,0,1|1,0,1]=4 615 B10R0.97 CC(=CCCCCC(=O)O)C MCULE-6679290438 [0,0,1,0,0,1|1,0,1]=4 616 B10R0.97 CC(C)CCCCCC(=O)O MCULE-6934503036 [0,0,1,0,0,1|1,0,1]=4 617 B10R0.97 CC(C)CCCOCC(=O)O MCULE-7389478050 [0,0,1,0,0,1|1,0,1]=4 618 B10R0.97 CN(C)CCCCCC(=O)O MCULE-1002014230 [0,0,1,0,0,1|0,0,2]=4 619 B10R0.97 CN(C)CCCCCC(=O)O MCULE-2670396647 [0,0,1,0,0,1|0,0,2]=4 620 B10R0.95 CCC(CC(C)(C)C)C(=O)O MCULE-7241334010 [0,0,1,0,0,1|1,0,1]=4 621 B10R0.138 CCC(CC(=O)O)C(C)(C)C MCULE-1958146980 [0,0,1,0,0,1|1,0,1]=4 622 B10R1.38 CC1(OCCCC1C=O)C MCULE-3604102081 [1,0,0,0,0,1|1,0,0]=3 623 B10R1.171 CC1(CC(CCO1)C=O)C MCULE-7681885506 [1,0,0,0,0,1|2,0,0]=4 624 B10R1.171 CC1(CCCC(C1)C=O)C MCULE-2204954553 [1,0,0,0,0,1|1,0,0]=3 625 B10R1.171 CC1(C[C@H](CCO1)C=O)C MCULE-3961352621 [1,0,0,0,0,1|2,0,0]=4 626 B10R1.64 CC1CCCC1CC(=O)O MCULE-1034129697 [1,0,0,0,0,1|1,0,1]=4 627 B10R1.64 CN1CCCC1CC(=O)O MCULE-1900515698 [1,0,0,0,0,1|0,0,2]=4 628 B10R1.64 CN1CCCC1CC(=O)O MCULE-4392051296 [1,0,0,0,0,1|0,0,2]=4 629 B10R1.64 CN1CCC[C@H]1CC(=O)O MCULE-2926738632 [1,0,0,0,0,1|0,0,2]=4 630 B10R1.359 CC1(CCC(C1)C(=O)O)C MCULE-9978136872 [0,0,0,0,1,1|1,0,1]=4 631 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5310172848 [0,0,0,0,1,1|1,0,1]=4 632 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5921965282 [0,0,0,0,1,1|1,0,1]=4 633 B10R1.359 CC1(CCC(O1)C(=O)O)C MCULE-6347581531 [0,0,0,0,1,1|1,0,1]=4 634 B10R1.359 CC1(OCC(O1)C(=O)[O-])C MCULE-4000004744 [0,0,0,0,1,1|2,0,0]=4 635 B10R1.359 CC1(OC[C@H](O1)C(=O)[O-])C MCULE-7365914999 [0,0,0,0,1,1|2,0,0]=4 636 B10R1.359 CC1(OC[C@H](O1)C(=O)[O-])C MCULE-8613095772 [0,0,0,0,1,1|2,0,0]=4 637 B12R1.391 CC1(CCCCC1CC(=O)O)C MCULE-6771932074 [0,0,0,0,0,2|1,0,1]=4 638 B12R1.391 CC1(CNCCC1CC(=O)O)C MCULE-6484507552 [0,0,0,0,0,2|1,0,1]=4 639 B12R1.391 CC1(CNCCC1CC(=O)O)C MCULE-8006312451 [0,0,0,0,0,2|1,0,1]=4 640 B12R1.1821 CC1(CCCC(C1)CC(=O)O)C MCULE-4167404807 [0,0,0,0,0,2|1,0,1]=4 641 B12R1.1821 CC1(CCCC(O1)CC(=O)O)C MCULE-4104007715 [0,0,0,0,0,2|1,0,1]=4