0 B10R1.64 CC(=O)NC1CCOC1=O MCULE-5727753236 [0,0,0,0,0,0|0,1,0]=1 1 B10R1.64 CC(=O)NC1CCSC1=O MCULE-3189072897 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.64 CC(=O)NC1COCC1F MCULE-8363696383 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.64 CC(=O)NN1CCCC1=O MCULE-1490773377 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.64 CC(=O)N[C@@H]1CCC[C@H]1F MCULE-5761457763 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.64 CC(=O)N[C@@H]1COC[C@@H]1O MCULE-1869672029 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O MCULE-6420976383 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O MCULE-9888711851 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.64 CC(=O)N[C@H]1CCOC1=O MCULE-5447353787 [0,0,0,0,0,0|0,1,0]=1 9 B10R1.64 CC(=O)N[C@H]1CCSC1=O MCULE-3439062111 [0,0,0,0,0,0|0,0,0]=0 10 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O MCULE-6592510964 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.64 CC(=O)OC1CCNC1=O MCULE-8273704915 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.64 CC(=O)O[C@@H]1CCC[C@H]1O MCULE-7895175018 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.64 CC(C)CC1CCCC1=O MCULE-4871640559 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.64 CC(O)CC1CCNC1=O MCULE-2151582713 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.64 CN(C)CC1CCCC1=O MCULE-5987666640 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.64 CN(C)CC1CCCC1=O MCULE-9641760477 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.64 N=C(N)SC1CCOC1=O MCULE-2105125022 [0,0,0,0,0,0|3,1,0]=4 18 B10R1.64 N=C(N)SC1CCOC1=O MCULE-6869844626 [0,0,0,0,0,0|3,1,0]=4 19 B10R1.64 N=C1SCCN1CC(=O)O MCULE-5189423573 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.64 N=C1SCCN1CC(=O)O MCULE-5306867506 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.64 NC(=O)CN1CCCC1=O MCULE-7645397226 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.64 NC(=O)NC1CCCC1=O MCULE-8760589602 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.64 O=C(Cl)CC1CCCC1=O MCULE-7029776897 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.64 O=C(O)C=C1CCCC1=O MCULE-4459153895 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.64 O=C(O)CC1CCCC1=O MCULE-9371811615 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.64 O=C(O)CC1CCNC1=O MCULE-4096969007 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.64 O=C(O)CN1CCCC1=O MCULE-3122232316 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.64 O=C(O)CN1CCNC1=O MCULE-3675229228 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.64 O=C(O)CN1CCOC1=O MCULE-4152481351 [0,0,0,0,0,0|3,1,0]=4 30 B10R1.64 O=C(O)CN1CCSC1=O MCULE-7099861777 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.13 C1(CCNC1)NC(=O)C MCULE-3187971747 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.13 C1(CCNC1)NC(=O)C MCULE-5477008391 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.13 CC(=O)CC1C=CCC1 MCULE-6918580278 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.13 CC(=O)CC1CCCC1 MCULE-5830536761 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.13 CC(=O)CC1CCOC1 MCULE-2391008206 [1,0,0,0,0,0|1,1,1]=4 37 B9R1.13 CC(=O)NC1=CSC=C1 MCULE-4876700541 [1,0,0,0,0,0|0,0,3]=4 38 B9R1.13 CC(=O)NC1CCCC1 MCULE-5984597819 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.13 CC(=O)NC1CCNC1 MCULE-7740912446 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.13 CC(=O)NC1CCNC1 MCULE-9319017541 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.13 CC(=O)N[C@@H]1CCNC1 MCULE-1207025314 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.13 CC(=O)N[C@@H]1CCNC1 MCULE-7984936811 [1,0,0,0,0,0|1,0,1]=3 43 B9R1.13 CC(=O)N[C@@H]1CCNC1 MCULE-8722694369 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-3447488838 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-4093097100 [1,0,0,0,0,0|1,0,1]=3 46 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-4416464509 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-5561268178 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.13 CC(=O)OC1C=CCC1 MCULE-5058666304 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.13 CC(=O)OC1CCCC1 MCULE-7737656947 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.13 CC(=O)OC1CCCO1 MCULE-9160883410 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.13 CC(=O)OC1CCNC1 MCULE-3149020197 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.13 CC(=O)OC1CCNC1 MCULE-9159124706 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.13 CC(=O)SC1CCOC1 MCULE-8318391351 [1,0,0,0,0,0|1,1,1]=4 54 B9R1.13 NC(=O)NC1CCCC1 MCULE-9715014489 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.33 C=CCC1CCCC1=O MCULE-9567921811 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.33 CCCC1CCCC1=O MCULE-6186440440 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.33 CCNC1CCNC1=O MCULE-2074854228 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.33 CCNC1CCNC1=O MCULE-3586994660 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.33 CCOC1CCCC1=O MCULE-2011374486 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.33 CCSC1CCOC1=O MCULE-2036311028 [1,0,0,0,0,0|1,1,1]=4 63 B9R1.33 COCC1CCCC1=O MCULE-9169493233 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.33 COCC1CCNC1=O MCULE-3659365395 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.57 CC(=O)NC1=C(CCC1)C#N MCULE-5573373121 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.57 CC(=O)NC1=C(SC=C1)C=O MCULE-7763051598 [0,1,0,0,0,0|0,0,3]=4 67 B11R1.89 CC(=O)N(C)C1CCCC1O MCULE-6629633500 [0,1,0,0,0,0|1,0,2]=4 68 B11R1.228 COC(=O)CC1CCCC1=O MCULE-1943898216 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.228 COC(=O)CC1CNNC1=O MCULE-5078746893 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.228 COC(=O)CN1CCCC1=O MCULE-7846371214 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.228 COC(=O)CN1CCOC1=O MCULE-3500722271 [0,1,0,0,0,0|2,1,0]=4 72 B11R1.228 COC(=O)CN1CCSC1=N MCULE-4221074991 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.228 COC(=O)CN1CCSC1=N MCULE-5307847577 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.228 O=C(CCl)NC1CCSC1=O MCULE-2016123247 [0,1,0,0,0,0|0,0,0]=1 75 B11R1.313 CN1CCC(C1=O)CC(=O)O MCULE-7401738554 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.495 CC(=O)NN1C(=O)CCC1=O MCULE-4348931758 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.495 CC(=O)NN1C(=O)CSC1=S MCULE-3308497612 [0,1,0,0,0,0|1,1,1]=4 78 B11R1.645 CC(=O)NC1CC(=O)OC1=O MCULE-4921755901 [0,1,0,0,0,0|0,1,1]=3 79 B11R1.645 CC(=O)OC1CC(=O)OC1=O MCULE-3977106754 [0,1,0,0,0,0|1,1,1]=4 80 B11R1.645 CC(=O)OC1CC(=O)OC1=O MCULE-6469987872 [0,1,0,0,0,0|1,1,1]=4 81 B11R1.645 CC(=O)O[C@@H]1CC(=O)OC1=O MCULE-3381101532 [0,1,0,0,0,0|1,1,1]=4 82 B11R1.645 CC(=O)O[C@@H]1CC(=O)OC1=O MCULE-5641729076 [0,1,0,0,0,0|1,1,1]=4 83 B11R1.645 CC(=O)O[C@H]1CC(=O)OC1=O MCULE-3939996054 [0,1,0,0,0,0|1,1,1]=4 84 B11R1.645 CC(=O)O[C@H]1CC(=O)OC1=O MCULE-6712017856 [0,1,0,0,0,0|1,1,1]=4 85 B11R1.645 CC(=O)SC1CC(=O)OC1=O MCULE-5304574969 [0,1,0,0,0,0|1,1,1]=4 86 B11R1.645 CC(=O)S[C@H]1CC(=O)OC1=O MCULE-9041670777 [0,1,0,0,0,0|1,1,1]=4 87 B9R0.2 C=CCCCCCC(=O)C MCULE-7133840219 [0,0,1,0,0,0|3,0,0]=4 88 B9R0.2 C=CCCCCOC(=O)C MCULE-4254881456 [0,0,1,0,0,0|3,0,0]=4 89 B9R0.2 CC(=O)NCCCCCCl MCULE-9253955715 [0,0,1,0,0,0|2,0,1]=4 90 B9R0.2 CC(=O)NCCCCCN MCULE-6340089295 [0,0,1,0,0,0|2,0,1]=4 91 B9R0.2 CC(=O)NCCCCCN MCULE-9533682248 [0,0,1,0,0,0|2,0,1]=4 92 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [0,0,1,0,0,0|3,0,0]=4 93 B9R0.23 C=C(NC(=O)C)C(=O)OC MCULE-8995388871 [0,0,1,0,0,0|0,1,2]=4 94 B9R0.23 CNC(=O)C(C)NC(=O)C MCULE-9465926492 [0,0,1,0,0,0|1,0,0]=2 95 B9R0.23 CNC(=O)[C@H](C)NC(=O)C MCULE-5078086866 [0,0,1,0,0,0|1,0,0]=2 96 B9R0.23 CNC(=O)[C@H](C)NC(=O)C MCULE-8878746603 [0,0,1,0,0,0|1,0,0]=2 97 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [0,0,1,0,0,0|1,1,0]=3 98 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [0,0,1,0,0,0|2,1,0]=4 99 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-7499205437 [0,0,1,0,0,0|0,1,0]=2 100 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-9931125485 [0,0,1,0,0,0|0,1,0]=2 101 B9R0.23 COC(=O)C(C)OC(=O)C MCULE-7908136641 [0,0,1,0,0,0|1,1,0]=3 102 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [0,0,1,0,0,0|2,1,0]=4 103 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-3683972950 [0,0,1,0,0,0|0,1,0]=2 104 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-9078107491 [0,0,1,0,0,0|0,1,0]=2 105 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9272877417 [0,0,1,0,0,0|0,1,0]=2 106 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9675191541 [0,0,1,0,0,0|0,1,0]=2 107 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-7231856462 [0,0,1,0,0,0|1,1,0]=3 108 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-9967813219 [0,0,1,0,0,0|1,1,0]=3 109 B9R0.39 CC(=O)NC(C#N)C(=O)N MCULE-7779090279 [0,0,1,0,0,0|2,0,1]=4 110 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [0,0,1,0,0,0|1,1,0]=3 111 B9R0.39 CC(=O)NC(CS)C(=O)N MCULE-2256527758 [0,0,1,0,0,0|2,0,0]=3 112 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-6378320219 [0,0,1,0,0,0|1,1,0]=3 113 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-8740981134 [0,0,1,0,0,0|1,1,0]=3 114 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [0,0,1,0,0,0|1,1,0]=3 115 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [0,0,1,0,0,0|1,1,0]=3 116 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-1208846063 [0,0,1,0,0,0|2,0,0]=3 117 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-2389070545 [0,0,1,0,0,0|2,0,0]=3 118 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-3293270590 [0,0,1,0,0,0|1,1,0]=3 119 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-8632971295 [0,0,1,0,0,0|1,1,0]=3 120 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [0,0,1,0,0,0|1,1,0]=3 121 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-2338539483 [0,0,1,0,0,0|1,1,0]=3 122 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-7287452762 [0,0,1,0,0,0|1,1,0]=3 123 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl MCULE-4134104716 [0,0,1,0,0,0|3,0,0]=4 124 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,0,1,0,0,0|2,1,0]=4 125 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-1309294109 [0,0,1,0,0,0|0,1,0]=2 126 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-9698129539 [0,0,1,0,0,0|0,1,0]=2 127 B9R0.39 CCC(NC(=O)N)C(=O)O MCULE-1973871135 [0,0,1,0,0,0|1,1,0]=3 128 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7235932783 [0,0,1,0,0,0|1,1,1]=4 129 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7934342287 [0,0,1,0,0,0|1,1,1]=4 130 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-4606830483 [0,0,1,0,0,0|0,1,0]=2 131 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-7396715663 [0,0,1,0,0,0|0,1,0]=2 132 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [0,0,1,0,0,0|2,1,0]=4 133 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [0,0,1,0,0,0|2,1,0]=4 134 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [0,0,1,0,0,0|2,1,0]=4 135 B9R0.48 C=C(C)CCC(=O)OCC MCULE-1518145690 [0,0,1,0,0,0|2,1,0]=4 136 B9R0.48 CC(=O)NNC(=O)CCCl MCULE-7221468890 [0,0,1,0,0,0|3,0,0]=4 137 B9R0.48 CCCC(=O)CCC(=O)C MCULE-2562578971 [0,0,1,0,0,0|2,0,0]=3 138 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [0,0,1,0,0,0|3,0,0]=4 139 B9R0.48 CCNC(=O)CCC(=O)O MCULE-1979773964 [0,0,1,0,0,0|3,0,0]=4 140 B9R0.48 CCNC(=S)NNC(=O)C MCULE-2805208625 [0,0,1,0,0,0|2,1,0]=4 141 B9R0.48 CCOC(=O)/C=C/C(=O)C MCULE-1277426448 [0,0,1,0,0,0|1,1,1]=4 142 B9R0.48 CCOC(=O)C=CC(=O)C MCULE-7029387078 [0,0,1,0,0,0|1,1,1]=4 143 B9R0.48 CCOC(=O)CCC(=O)C MCULE-1970388037 [0,0,1,0,0,0|1,1,0]=3 144 B9R0.48 CCOC(=O)CCC(=O)Cl MCULE-6113832364 [0,0,1,0,0,0|2,1,0]=4 145 B9R0.48 CCOC(=O)CCC(=O)N MCULE-4243878001 [0,0,1,0,0,0|2,1,0]=4 146 B9R0.48 CCOC(=O)CCC(=O)O MCULE-4329005000 [0,0,1,0,0,0|2,1,0]=4 147 B9R0.48 CCOC(=O)CNC(=O)C MCULE-3012556062 [0,0,1,0,0,0|0,1,0]=2 148 B9R0.48 CCOC(=O)CNC(=O)N MCULE-5545074396 [0,0,1,0,0,0|1,1,0]=3 149 B9R0.48 CCOC(=O)CNC(C)C MCULE-2512915227 [0,0,1,0,0,0|1,1,1]=4 150 B9R0.48 CCOC(=O)CNC(C)C MCULE-6227741071 [0,0,1,0,0,0|1,1,1]=4 151 B9R0.48 CCOC(=O)COC(=O)C MCULE-1796111350 [0,0,1,0,0,0|1,1,0]=3 152 B11R2.36 O=C1CSC2=C(N1)CCC2 MCULE-8724370777 [0,0,0,1,0,0|1,1,1]=4 153 B11R2.42 O=C1CC2(C1)CCNC2=O MCULE-8733990191 [0,0,0,1,0,0|2,0,0]=3 154 B11R2.66 [C@H]12CC(=O)O[C@H]1COC2=O MCULE-7402105671 [0,0,0,1,0,0|2,1,0]=4 155 B11R2.66 [C@H]12COC(=O)N1CC(=O)C2 MCULE-1346578976 [0,0,0,1,0,0|2,1,0]=4 156 B11R2.66 [C@H]12COC(=O)N1CC(=O)C2 MCULE-7242576330 [0,0,0,1,0,0|2,1,0]=4 157 B11R2.432 C=C1CC2CCC(C1)C2=O MCULE-8469947334 [0,0,0,1,0,0|3,0,0]=4 158 B11R2.530 O=C(O)C1C2C1C(=O)CC2 MCULE-6727222040 [0,0,0,1,0,0|3,0,0]=4 159 B9R1.41 CC(=O)C1=C(CCC1)C MCULE-9433038766 [0,0,0,0,1,0|2,0,1]=4 160 B9R1.41 CC(=O)C1=C(OCC1)C MCULE-6549980198 [0,0,0,0,1,0|1,1,1]=4 161 B9R1.41 CC(=O)C1CCCC1=O MCULE-8152440536 [0,0,0,0,1,0|1,0,0]=2 162 B9R1.41 CC(=O)C1CCOC1=O MCULE-4236075888 [0,0,0,0,1,0|0,1,0]=2 163 B9R1.41 CC(=O)N1CCCC1=O MCULE-3328735907 [0,0,0,0,1,0|2,0,0]=3 164 B9R1.41 CC(=O)N1CCNC1=O MCULE-9582889409 [0,0,0,0,1,0|2,0,0]=3 165 B9R1.41 CC(=O)N1CCNC1=S MCULE-6634615380 [0,0,0,0,1,0|2,1,0]=4 166 B9R1.41 CC(=O)N1CCOC1=O MCULE-6944210144 [0,0,0,0,1,0|1,1,0]=3 167 B9R1.41 CC(=O)N1CCSC1=S MCULE-1158936764 [0,0,0,0,1,0|1,1,0]=3 168 B9R1.41 CC(C)C1CCCC1=O MCULE-5590026729 [0,0,0,0,1,0|2,0,1]=4 169 B9R1.41 CC(C)C1CCNC1=O MCULE-5673830362 [0,0,0,0,1,0|2,0,1]=4 170 B9R1.41 CN(C)C1CCNC1=O MCULE-9030611073 [0,0,0,0,1,0|3,0,0]=4 171 B9R1.41 NC(=O)C1=C(SCC1)N MCULE-1189159246 [0,0,0,0,1,0|2,0,1]=4 172 B9R1.41 NC(=O)C1CCCC1=O MCULE-2399127943 [0,0,0,0,1,0|2,0,0]=3 173 B9R1.41 NC(=O)C1CSCC1=O MCULE-9294547014 [0,0,0,0,1,0|3,0,0]=4 174 B9R1.41 NC(=O)N1CCCC1=O MCULE-5194166141 [0,0,0,0,1,0|3,0,0]=4 175 B9R1.41 O=C(Cl)C1CCCC1=O MCULE-1186628152 [0,0,0,0,1,0|2,0,0]=3 176 B9R1.41 O=C(Cl)N1CCCC1=O MCULE-4360774967 [0,0,0,0,1,0|3,0,0]=4 177 B9R1.41 O=C(Cl)N1CCNC1=O MCULE-6015702584 [0,0,0,0,1,0|3,0,0]=4 178 B9R1.41 O=C(Cl)N1CCOC1=O MCULE-2077780134 [0,0,0,0,1,0|2,1,0]=4 179 B9R1.41 O=C(O)C1CCCC1=O MCULE-9500236289 [0,0,0,0,1,0|2,0,0]=3 180 B9R1.41 O=C(O)C1CCNC1=O MCULE-3110303122 [0,0,0,0,1,0|2,0,0]=3 181 B9R1.41 O=C(O)C1CCOC1=O MCULE-1545162383 [0,0,0,0,1,0|1,1,0]=3 182 B9R1.41 O=C(O)C1CSCC1=O MCULE-2401489071 [0,0,0,0,1,0|3,0,0]=4 183 B9R1.41 O=C(O)N1CCNC1=O MCULE-2423498210 [0,0,0,0,1,0|3,0,0]=4 184 B9R1.41 O=C(O)N1CCOC1=O MCULE-1134006173 [0,0,0,0,1,0|2,1,0]=4 185 B9R1.41 O=C(O)[C@@H]1CCNC1=O MCULE-2092808645 [0,0,0,0,1,0|2,0,0]=3 186 B9R1.67 CC(=O)OC1CCC1=O MCULE-2752800385 [0,0,0,0,1,0|1,0,0]=2 187 B9R1.67 CC(O)CC1CCC1=O MCULE-5157418140 [0,0,0,0,1,0|1,0,2]=4 188 B11R1.86 C=C(C)CC1CNCCC1=O MCULE-4437507341 [0,0,0,0,0,1|3,0,0]=4 189 B11R1.86 C=C(C)CC1NCCCC1=O MCULE-1631539297 [0,0,0,0,0,1|3,0,0]=4 190 B11R1.86 C=C1CCCCC1OC(=O)C MCULE-7569773898 [0,0,0,0,0,1|3,0,0]=4 191 B11R1.86 CC(=O)C=C1NCCNC1=O MCULE-5474458643 [0,0,0,0,0,1|2,0,1]=4 192 B11R1.86 CC(=O)CC1CCCCC1=O MCULE-3575915774 [0,0,0,0,0,1|2,0,0]=3 193 B11R1.86 CC(=O)NC1CCCCC1Br MCULE-4216605693 [0,0,0,0,0,1|2,0,1]=4 194 B11R1.86 CC(=O)NC1CCCCC1Cl MCULE-7255544865 [0,0,0,0,0,1|2,0,1]=4 195 B11R1.86 CC(=O)NC1CCCCC1N MCULE-7889648713 [0,0,0,0,0,1|2,0,1]=4 196 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1Cl MCULE-5801087784 [0,0,0,0,0,1|2,0,1]=4 197 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1N MCULE-8588938231 [0,0,0,0,0,1|2,0,1]=4 198 B11R1.86 CC(=O)N[C@H]1CCCC[C@H]1Cl MCULE-8672156380 [0,0,0,0,0,1|2,0,1]=4 199 B11R1.86 NC(=O)CC1CCCCC1=O MCULE-3971347881 [0,0,0,0,0,1|3,0,0]=4 200 B11R1.86 O=C(Cl)CC1CCCCC1=O MCULE-8631703568 [0,0,0,0,0,1|3,0,0]=4 201 B11R1.86 O=C(O)CC1CCCCC1=O MCULE-2872066455 [0,0,0,0,0,1|3,0,0]=4 202 B11R1.86 O=C(O)CC1NCCNC1=O MCULE-1560589781 [0,0,0,0,0,1|3,0,0]=4 203 B11R1.86 O=C(O)CC1NCCNC1=O MCULE-2096818355 [0,0,0,0,0,1|3,0,0]=4 204 B11R1.86 O=C(O)CC1SCCNC1=O MCULE-5075946904 [0,0,0,0,0,1|3,0,0]=4 205 B11R1.90 CC(=O)OCC1CCCC1=O MCULE-4927538926 [0,0,0,0,0,1|2,0,0]=3 206 B11R1.90 O=C(O)CCC1CCOC1=O MCULE-3104209963 [0,0,0,0,0,1|2,1,0]=4 207 B11R1.90 O=C(O)CCN1CCSC1=O MCULE-1169577858 [0,0,0,0,0,1|3,0,0]=4 208 B11R1.90 O=C(O)CSC1CCOC1=O MCULE-3303547942 [0,0,0,0,0,1|2,1,0]=4 209 B11R1.157 CC(=O)CC1CCCC(=O)N1 MCULE-4485387072 [0,0,0,0,0,1|2,0,0]=3 210 B11R1.157 CC(=O)OC1=CC(=O)CCC1 MCULE-8679821609 [0,0,0,0,0,1|2,0,1]=4 211 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [0,0,0,0,0,1|3,0,0]=4 212 B11R1.157 O=C(O)CC1CCCC(=O)N1 MCULE-7470301343 [0,0,0,0,0,1|3,0,0]=4 213 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-3498688720 [0,0,0,0,0,1|3,0,0]=4 214 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-8598228573 [0,0,0,0,0,1|3,0,0]=4 215 B8R0.4 O=CCCCCCC=O MCULE-7016999051 [1,0,1,0,0,0|2,0,0]=4 216 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [1,0,1,0,0,0|2,0,0]=4 217 B8R0.7 C=CCCCOC(=O)C MCULE-2972695808 [1,0,1,0,0,0|2,0,0]=4 218 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [1,0,1,0,0,0|0,1,0]=3 219 B8R0.7 CC(=O)NCCCCN MCULE-6666803790 [1,0,1,0,0,0|1,0,1]=4 220 B8R0.7 CC(=O)NCCCCN MCULE-8971714473 [1,0,1,0,0,0|1,0,1]=4 221 B8R0.7 CC(=O)NCCCCO MCULE-5119895862 [1,0,1,0,0,0|0,0,2]=4 222 B8R0.7 CC=CCCCC(=O)C MCULE-7957571875 [1,0,1,0,0,0|2,0,0]=4 223 B8R0.7 CNCCCNC(=O)C MCULE-2682619502 [1,0,1,0,0,0|1,0,1]=4 224 B8R0.7 CNCCCNC(=O)C MCULE-3477977807 [1,0,1,0,0,0|1,0,1]=4 225 B8R0.7 COCCCNC(=O)C MCULE-4149128250 [1,0,1,0,0,0|0,1,1]=4 226 B8R0.7 CSCCCOC(=O)C MCULE-4403232519 [1,0,1,0,0,0|1,0,1]=4 227 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [1,0,1,0,0,0|2,0,0]=4 228 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [1,0,1,0,0,0|2,0,0]=4 229 B8R0.16 C=CC(CC)OC(=O)C MCULE-4764266837 [1,0,1,0,0,0|2,0,0]=4 230 B8R0.16 CCC(CO)NC(=O)C MCULE-9868176705 [1,0,1,0,0,0|0,0,2]=4 231 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-2664687963 [1,0,1,0,0,0|0,0,2]=4 232 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-6485833206 [1,0,1,0,0,0|0,0,2]=4 233 B8R0.3 CCNC(C)C(=O)OC MCULE-3289750233 [1,0,1,0,0,0|0,1,1]=4 234 B8R0.3 CCNC(C)C(=O)OC MCULE-6862987622 [1,0,1,0,0,0|0,1,1]=4 235 B8R0.3 CCN[C@@H](C)C(=O)OC MCULE-5663920756 [1,0,1,0,0,0|0,1,1]=4 236 B8R0.3 COC(=O)C(C)NC=O MCULE-7583002028 [1,0,1,0,0,0|0,1,0]=3 237 B8R0.3 COC(=O)[C@H](C)NC=O MCULE-3891029916 [1,0,1,0,0,0|0,1,0]=3 238 B8R0.3 COC(=O)[C@H](C)NC=O MCULE-5938491065 [1,0,1,0,0,0|0,1,0]=3 239 B8R0.9 CC(=O)NCC(=O)NN MCULE-1688027287 [1,0,1,0,0,0|2,0,0]=4 240 B8R0.9 CC(=O)NNC(=O)CBr MCULE-4536348366 [1,0,1,0,0,0|2,0,0]=4 241 B8R0.9 CC(=O)NNC(=O)CCl MCULE-7123176949 [1,0,1,0,0,0|2,0,0]=4 242 B8R0.9 CC(=O)OCC(=O)CCl MCULE-5422965047 [1,0,1,0,0,0|2,0,0]=4 243 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [1,0,1,0,0,0|1,0,0]=3 244 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [1,0,1,0,0,0|2,0,0]=4 245 B8R0.9 CCC(=O)COC(=O)C MCULE-4876335377 [1,0,1,0,0,0|1,0,0]=3 246 B8R0.9 CNC(=O)CNC(=O)C MCULE-3508245247 [1,0,1,0,0,0|1,0,0]=3 247 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [1,0,1,0,0,0|1,1,0]=4 248 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [1,0,1,0,0,0|0,1,0]=3 249 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [1,0,1,0,0,0|2,0,0]=4 250 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [1,0,1,0,0,0|1,1,0]=4 251 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [1,0,1,0,0,0|2,0,0]=4 252 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [1,0,1,0,0,0|0,0,0]=2 253 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [1,0,1,0,0,0|0,1,0]=3 254 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [1,0,1,0,0,0|0,1,0]=3 255 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [1,0,1,0,0,0|1,0,0]=3 256 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [1,0,1,0,0,0|1,0,0]=3 257 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [1,0,1,0,0,0|1,0,0]=3 258 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [1,0,1,0,0,0|1,0,0]=3 259 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [1,0,1,0,0,0|0,1,0]=3 260 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [1,0,1,0,0,0|0,1,0]=3 261 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [1,0,1,0,0,0|0,1,0]=3 262 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [1,0,1,0,0,0|0,1,0]=3 263 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [1,0,1,0,0,0|1,0,0]=3 264 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [1,0,1,0,0,0|2,0,0]=4 265 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [1,0,1,0,0,0|1,1,0]=4 266 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [1,0,1,0,0,0|1,1,0]=4 267 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [1,0,1,0,0,0|2,0,0]=4 268 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [1,0,1,0,0,0|2,0,0]=4 269 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [1,0,1,0,0,0|1,1,0]=4 270 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [1,0,1,0,0,0|1,1,0]=4 271 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [1,0,1,0,0,0|2,0,0]=4 272 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [1,0,1,0,0,0|2,0,0]=4 273 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [1,0,1,0,0,0|1,1,0]=4 274 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [1,0,1,0,0,0|1,1,0]=4 275 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [1,0,1,0,0,0|1,1,0]=4 276 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [1,0,1,0,0,0|1,1,0]=4 277 B8R0.15 CCC(NC=O)C(=O)O MCULE-6163876154 [1,0,1,0,0,0|0,1,0]=3 278 B8R0.15 O=CN[C@@H](CS)C(=O)O MCULE-9815114026 [1,0,1,0,0,0|1,1,0]=4 279 B8R0.1 CCNCC(=O)NCC MCULE-2852589977 [1,0,1,0,0,0|1,0,1]=4 280 B8R0.1 CCNCC(=O)OCC MCULE-7972358572 [1,0,1,0,0,0|0,1,1]=4 281 B8R0.1 CCNCC(=O)OCC MCULE-8893227629 [1,0,1,0,0,0|0,1,1]=4 282 B8R0.1 CCOC(=O)CCC=O MCULE-2891201608 [1,0,1,0,0,0|1,1,0]=4 283 B8R0.1 CCOC(=O)CNC=O MCULE-7904243111 [1,0,1,0,0,0|0,1,0]=3 284 B8R1.8 O=CNC1CCCC1 MCULE-1453368274 [2,0,0,0,0,0|1,0,1]=4 285 B8R1.11 CCC1CCCC1=O MCULE-1884299455 [2,0,0,0,0,0|1,0,1]=4 286 B8R1.11 CCC1CCNC1=O MCULE-8307536027 [2,0,0,0,0,0|1,0,1]=4 287 B8R1.11 CCC1CCOC1=O MCULE-2375464273 [2,0,0,0,0,0|0,1,1]=4 288 B8R1.11 CNC1CCNC1=O MCULE-1302732570 [2,0,0,0,0,0|1,0,0]=3 289 B8R1.11 CNC1CCNC1=O MCULE-7065523709 [2,0,0,0,0,0|1,0,0]=3 290 B8R1.11 COC1CCCC1=O MCULE-2741778082 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.11 COC1CCOC1=O MCULE-6321591157 [2,0,0,0,0,0|1,1,0]=4 292 B8R1.11 O=CC1CCOC1=O MCULE-6358043470 [2,0,0,0,0,0|0,1,0]=3 293 B8R1.11 O=CN1CCCC1=O MCULE-1097328464 [2,0,0,0,0,0|2,0,0]=4 294 B10R0.74 COC(=O)CCCCCC=O MCULE-1071696685 [0,1,1,0,0,0|2,0,0]=4 295 B10R0.97 CC(=O)CCCCCC(=O)Cl MCULE-9699420066 [0,1,1,0,0,0|2,0,0]=4 296 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [0,1,1,0,0,0|2,0,0]=4 297 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [0,1,1,0,0,0|1,0,0]=3 298 B10R0.97 CC(=O)NCCOCC(=O)O MCULE-8156973678 [0,1,1,0,0,0|2,0,0]=4 299 B10R0.97 CC(=O)NCSCCC(=O)O MCULE-1672994332 [0,1,1,0,0,0|2,0,0]=4 300 B10R0.97 CC(=O)OCCCOC(=O)C MCULE-1867773731 [0,1,1,0,0,0|1,1,0]=4 301 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [0,1,1,0,0,0|2,0,0]=4 302 B10R0.23 C#CCC(NC(=O)C)C(=O)O MCULE-9409389398 [0,1,1,0,0,0|1,0,1]=4 303 B10R0.23 C=CCC(NC(=O)C)C(=O)O MCULE-7609607910 [0,1,1,0,0,0|1,0,1]=4 304 B10R0.23 CC(=O)NC(CCO)C(=O)O MCULE-2399187108 [0,1,1,0,0,0|0,1,0]=3 305 B10R0.23 CC(=O)N[C@@H](CCS)C(=O)O MCULE-9792008044 [0,1,1,0,0,0|0,0,0]=2 306 B10R0.23 CCCC(CC(=O)C)C(=O)O MCULE-7988753662 [0,1,1,0,0,0|2,0,0]=4 307 B10R0.23 CCCC(NC(=O)C)C(=O)O MCULE-3719218412 [0,1,1,0,0,0|1,0,0]=3 308 B10R0.23 CCCC(NC(=O)N)C(=O)O MCULE-3451078854 [0,1,1,0,0,0|2,0,0]=4 309 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7396030806 [0,1,1,0,0,0|1,0,0]=3 310 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7424603595 [0,1,1,0,0,0|1,0,0]=3 311 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O MCULE-4836272670 [0,1,1,0,0,0|2,0,0]=4 312 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-2905526129 [0,1,1,0,0,0|1,0,0]=3 313 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-6395010914 [0,1,1,0,0,0|1,0,0]=3 314 B10R0.23 CNCC(NC(=O)C)C(=O)O MCULE-4047191308 [0,1,1,0,0,0|2,0,0]=4 315 B10R0.23 CNC[C@H](NC(=O)C)C(=O)O MCULE-3833734431 [0,1,1,0,0,0|2,0,0]=4 316 B10R0.23 COCC(NC(=O)C)C(=O)O MCULE-9763122983 [0,1,1,0,0,0|2,0,0]=4 317 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-2239598357 [0,1,1,0,0,0|2,0,0]=4 318 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-4278788977 [0,1,1,0,0,0|2,0,0]=4 319 B10R0.23 COC[C@H](NC(=O)C)C(=O)O MCULE-5146213386 [0,1,1,0,0,0|2,0,0]=4 320 B10R0.23 CSCC(NC(=O)C)C(=O)O MCULE-8059509909 [0,1,1,0,0,0|2,0,0]=4 321 B10R0.23 CSC[C@H](NC(=O)C)C(=O)O MCULE-1058369746 [0,1,1,0,0,0|2,0,0]=4 322 B10R0.32 CCOC(=O)C(C)CC(=O)C MCULE-5239572746 [0,1,1,0,0,0|1,1,0]=4 323 B10R0.32 CCOC(=O)C(C)NC(=O)N MCULE-8566461140 [0,1,1,0,0,0|1,1,0]=4 324 B10R0.32 CCOC(=O)C(O)NC(=O)C MCULE-9018824905 [0,1,1,0,0,0|1,1,0]=4 325 B10R0.37 COC(=O)C(C)NS(=O)(=O)C MCULE-1814106392 [0,1,1,0,0,0|1,1,0]=4 326 B10R0.37 COC(=O)[C@H](C)NS(=O)(=O)C MCULE-1289908036 [0,1,1,0,0,0|1,1,0]=4 327 B10R0.46 COC(=O)C(C)NC(=O)CCl MCULE-4309623908 [0,1,1,0,0,0|0,1,0]=3 328 B10R0.46 COC(=O)CC(C)C(=O)OC MCULE-1613501642 [0,1,1,0,0,0|1,1,0]=4 329 B10R0.46 COC(=O)C[C@@H](C)C(=O)OC MCULE-3416186452 [0,1,1,0,0,0|1,1,0]=4 330 B10R0.46 COC(=O)C[C@@H](C)C(=O)OC MCULE-8307638859 [0,1,1,0,0,0|1,1,0]=4 331 B10R0.46 COC(=O)C[C@H](C)C(=O)OC MCULE-6913107439 [0,1,1,0,0,0|1,1,0]=4 332 B10R0.46 COC(=O)C[C@H](C)C(=O)OC MCULE-7249009101 [0,1,1,0,0,0|1,1,0]=4 333 B10R0.46 COC(=O)[C@@H](C)NC(=O)CCl MCULE-1456953151 [0,1,1,0,0,0|0,1,0]=3 334 B10R0.46 COC(=O)[C@@H](C)NC(=O)CCl MCULE-2364055788 [0,1,1,0,0,0|0,1,0]=3 335 B10R0.46 COC(=O)[C@H](C)NC(=O)CCl MCULE-3639290594 [0,1,1,0,0,0|0,1,0]=3 336 B10R0.46 COC(=O)[C@H](C)NC(=O)CCl MCULE-3767839768 [0,1,1,0,0,0|0,1,0]=3 337 B10R0.141 COC(=O)C(C)(C)CC(=O)C MCULE-6735820439 [0,1,1,0,0,0|1,1,0]=4 338 B10R0.141 COC(=O)C(C)(C)NC(=O)C MCULE-6980715313 [0,1,1,0,0,0|0,1,0]=3 339 B10R0.53 CCC(NC(=O)CCl)C(=O)O MCULE-5604735564 [0,1,1,0,0,0|0,1,0]=3 340 B10R0.53 CCC(NC(=O)CN)C(=O)O MCULE-2960630687 [0,1,1,0,0,0|0,1,0]=3 341 B10R0.53 NCC(=O)NC(CO)C(=O)O MCULE-9704484705 [0,1,1,0,0,0|1,1,0]=4 342 B10R0.53 NCC(=O)N[C@@H](CO)C(=O)O MCULE-4986689442 [0,1,1,0,0,0|1,1,0]=4 343 B10R0.53 NCC(=O)N[C@@H](CS)C(=O)O MCULE-6900882033 [0,1,1,0,0,0|1,1,0]=4 344 B10R0.53 O=C(CCl)NC(CO)C(=O)O MCULE-3786186517 [0,1,1,0,0,0|1,1,0]=4 345 B10R0.53 O=C(CCl)N[C@@H](CO)C(=O)O MCULE-8807935269 [0,1,1,0,0,0|1,1,0]=4 346 B10R0.53 [C@@H](CO)(NC(=O)CN)C(=O)O MCULE-7844760749 [0,1,1,0,0,0|1,1,0]=4 347 B10R0.162 CC(=O)NC(C(=O)N)C(C)C MCULE-4954417296 [0,1,1,0,0,0|1,0,0]=3 348 B10R0.162 CC(=O)NC(C(=O)O)C(C)C MCULE-5114275353 [0,1,1,0,0,0|0,1,0]=3 349 B10R0.162 CC(=O)NC(C(=O)O)C(C)C MCULE-7625507425 [0,1,1,0,0,0|0,1,0]=3 350 B10R0.162 CC(=O)N[C@@H](C(=O)O)C(C)C MCULE-7724348414 [0,1,1,0,0,0|0,1,0]=3 351 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C MCULE-5832011663 [0,1,1,0,0,0|1,0,0]=3 352 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C MCULE-6203599101 [0,1,1,0,0,0|1,0,0]=3 353 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C MCULE-4757813230 [0,1,1,0,0,0|0,1,0]=3 354 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C MCULE-6959371366 [0,1,1,0,0,0|0,1,0]=3 355 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O MCULE-1503882427 [0,1,1,0,0,0|0,1,0]=3 356 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O MCULE-5611708903 [0,1,1,0,0,0|0,1,0]=3 357 B10R0.162 CC(=O)OC(C(=O)O)C(C)C MCULE-6800981090 [0,1,1,0,0,0|1,1,0]=4 358 B10R0.162 CC(=O)O[C@@H](C(=O)O)C(C)C MCULE-2609525866 [0,1,1,0,0,0|1,1,0]=4 359 B10R0.162 CC(C)C(NC(=O)N)C(=O)O MCULE-8905457274 [0,1,1,0,0,0|1,1,0]=4 360 B10R0.162 CC(C)[C@@H](NC(=O)N)C(=O)O MCULE-8034373559 [0,1,1,0,0,0|1,1,0]=4 361 B10R0.162 CC(O)C(NC(=O)N)C(=O)O MCULE-3166365598 [0,1,1,0,0,0|1,1,0]=4 362 B10R0.162 [C@@H](NC(=O)N)(C(=O)O)C(C)C MCULE-1578246756 [0,1,1,0,0,0|1,1,0]=4 363 B10R0.162 [C@H](NC(=O)C)(C(=O)O)C(C)C MCULE-3375530717 [0,1,1,0,0,0|0,1,0]=3 364 B10R0.26 CCOC(=O)CC(=O)C(=O)C MCULE-9645213654 [0,1,1,0,0,0|1,1,0]=4 365 B10R0.26 CCOC(=O)CC(Br)C(=O)C MCULE-1787389456 [0,1,1,0,0,0|1,1,0]=4 366 B10R0.26 CCOC(=O)CC(C)C(=O)C MCULE-2715750632 [0,1,1,0,0,0|1,1,0]=4 367 B10R0.26 CCOC(=O)CN(C)C(=O)C MCULE-3544940213 [0,1,1,0,0,0|0,1,0]=3 368 B10R0.96 CC(=O)CCC(=O)OC(C)C MCULE-4445049570 [0,1,1,0,0,0|1,1,0]=4 369 B10R0.108 CCCC(=O)NNC(=O)CCl MCULE-8438545386 [0,1,1,0,0,0|2,0,0]=4 370 B10R0.108 CCOC(=O)CCC(=O)CBr MCULE-4688931545 [0,1,1,0,0,0|1,1,0]=4 371 B10R0.108 CCOC(=O)CCC(=O)CC MCULE-8002220473 [0,1,1,0,0,0|1,1,0]=4 372 B10R0.108 CCOC(=O)CCC(=O)CCl MCULE-7997526168 [0,1,1,0,0,0|1,1,0]=4 373 B10R0.108 CCOC(=O)CCC(=O)OC MCULE-6912505912 [0,1,1,0,0,0|1,1,0]=4 374 B10R0.108 CCOC(=O)CNC(=O)CC MCULE-5953118002 [0,1,1,0,0,0|0,1,0]=3 375 B10R0.108 CCOC(=O)CNC(=O)CCl MCULE-3955213419 [0,1,1,0,0,0|0,1,0]=3 376 B10R0.108 CCOC(=O)CNC(=O)CN MCULE-2156069968 [0,1,1,0,0,0|0,1,0]=3 377 B10R0.108 CCOC(=O)CNC(=O)CN MCULE-8638915707 [0,1,1,0,0,0|0,1,0]=3 378 B10R0.108 CCOC(=O)CNC(=O)OC MCULE-2198648107 [0,1,1,0,0,0|0,1,0]=3 379 B10R0.108 CCOC(=O)CNC(=S)SC MCULE-4624183794 [0,1,1,0,0,0|0,2,0]=4 380 B10R0.108 CCOC(=O)COC(=O)CBr MCULE-7370130031 [0,1,1,0,0,0|1,1,0]=4 381 B10R0.108 CCOC(=O)NNC(=O)NC MCULE-9363371344 [0,1,1,0,0,0|1,1,0]=4 382 B10R0.109 CCOC(=O)CNS(=O)(=O)C MCULE-1045135879 [0,1,1,0,0,0|1,1,0]=4 383 B10R1.23 C1(CCNC1)N(C)C(=O)C MCULE-2179880006 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.23 C1(CCNC1)N(C)C(=O)C MCULE-7046109627 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.23 CC(=O)N(C)C1CCNC1 MCULE-3906656611 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.23 CC(=O)N(C)C1CCNC1 MCULE-5654357112 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.23 CC(=O)N(C)C1CCNC1 MCULE-6972538808 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 MCULE-1826792464 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 MCULE-3725246218 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 MCULE-5660091976 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 MCULE-7074166039 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 MCULE-1496593994 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 MCULE-1603625764 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 MCULE-5741081695 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 MCULE-8426952826 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.27 CCC(=O)NC1CCNC1 MCULE-2094294632 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.27 CCC(=O)NC1CCNC1 MCULE-8567856486 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.27 CNC(=O)NC1CCCC1 MCULE-2695826124 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.27 CNC(=O)NC1CCNC1 MCULE-1870176247 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.27 COC(=O)NC1CCNC1 MCULE-6293446949 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.27 COC(=O)NC1CCNC1 MCULE-9989519789 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.27 COC(=O)N[C@H]1CCNC1 MCULE-1532656229 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.27 COC(=O)N[C@H]1CCNC1 MCULE-5746263150 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.27 CSC(=O)NC1CCCC1 MCULE-6446995725 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.27 NCC(=O)NC1CCCC1 MCULE-8019469442 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.27 NCC(=O)NC1CCCC1 MCULE-9069112041 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.27 O=C(CBr)NC1CCCC1 MCULE-2668842219 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.27 O=C(CCl)NC1CCCC1 MCULE-9222556805 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.27 O=C(CCl)NC1CCOC1 MCULE-6507521199 [1,1,0,0,0,0|0,1,1]=4 410 B10R1.27 O=C(CO)NC1CCCC1 MCULE-7488310244 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.54 CC(=O)OC1C=CC(C1)O MCULE-6689209340 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.54 CC(=O)O[C@@H]1C=C[C@@H](C1)O MCULE-7020670709 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.54 CC(=O)O[C@@H]1C=C[C@@H](C1)O MCULE-9136558773 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.54 CC(=O)O[C@@H]1C=C[C@H](C1)O MCULE-3237879509 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](C1)O MCULE-4684454825 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](C1)O MCULE-7756903175 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](C1)O MCULE-8920693523 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.54 CC(=O)O[C@H]1C=C[C@H](C1)O MCULE-2981517362 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.54 CC(=O)O[C@H]1C=C[C@H](C1)O MCULE-5260414695 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.54 [C@H]1(C=C[C@@H](C1)OC(=O)C)O MCULE-8509096456 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.370 CC(=O)NC1(CCNC1)C MCULE-5423126230 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.94 CN1CCC(C1=O)CC=O MCULE-1972308594 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.130 O=CNC1CC(=O)OC1=O MCULE-6956546715 [1,1,0,0,0,0|0,1,1]=4 424 B10R1.39 O=CC1=CCCC1C(=O)O MCULE-5161313850 [0,1,0,0,1,0|2,0,0]=4 425 B10R1.59 CC(=O)N1CC(OC1=O)C MCULE-3536795102 [0,1,0,0,1,0|1,1,0]=4 426 B10R1.59 CC1CC(C(=O)O1)C(=O)O MCULE-5538965549 [0,1,0,0,1,0|1,1,0]=4 427 B10R1.65 CS(=O)(=O)C1CCCC1=O MCULE-7254054725 [0,1,0,0,1,0|2,0,0]=4 428 B10R1.192 CC(=O)C1C(=O)CNC1=O MCULE-8169936316 [0,1,0,0,1,0|1,0,1]=4 429 B10R1.192 CC1COC(=O)C1C(=O)O MCULE-6047208777 [0,1,0,0,1,0|1,1,0]=4 430 B10R1.194 CC(=O)C1CCN(C1=O)C MCULE-9271914398 [0,1,0,0,1,0|1,0,0]=3 431 B10R1.194 CC(=O)C1COC(=O)C1=O MCULE-4315376279 [0,1,0,0,1,0|2,0,0]=4 432 B10R1.194 CN1CCC(C1=O)C(=O)O MCULE-9291039298 [0,1,0,0,1,0|2,0,0]=4 433 B10R1.291 CC(=O)C1(CCOC1=O)C MCULE-6210214612 [0,1,0,0,1,0|0,1,0]=3 434 B10R1.291 CC(=O)C1(CCOC1=O)Cl MCULE-7326907970 [0,1,0,0,1,0|0,1,0]=3 435 B10R1.291 CC(=O)C1(CCOC1=O)F MCULE-7959177980 [0,1,0,0,1,0|0,1,0]=3 436 B10R1.291 CC(=O)C1(CCOC1=O)O MCULE-8830041381 [0,1,0,0,1,0|0,1,0]=3 437 B10R1.291 CC1(CCNC1=O)C(=O)O MCULE-9843438328 [0,1,0,0,1,0|2,0,0]=4 438 B10R1.291 C[C@]1(CCNC1=O)C(=O)O MCULE-8372001609 [0,1,0,0,1,0|2,0,0]=4 439 B10R1.116 CC(=O)N(C)C1CCC1O MCULE-4135732847 [0,1,0,0,1,0|0,0,2]=4 440 B10R1.351 CC(=O)N[C@@H]1CC[C@@]1(C)O MCULE-1388919660 [0,1,0,0,1,0|0,0,2]=4 441 B12R1.371 CNC(=O)CC1NCCNC1=O MCULE-4073920740 [0,1,0,0,0,1|2,0,0]=4 442 B12R1.371 CNC(=O)CC1SCCNC1=O MCULE-2791635320 [0,1,0,0,0,1|2,0,0]=4 443 B12R1.371 COC(=O)C=C1NCCSC1=O MCULE-9820082717 [0,1,0,0,0,1|1,0,1]=4 444 B12R1.371 COC(=O)CC1CCCCC1=O MCULE-2536809252 [0,1,0,0,0,1|2,0,0]=4 445 B12R1.371 COC(=O)CC1CCCNC1=O MCULE-7799009444 [0,1,0,0,0,1|2,0,0]=4 446 B12R1.371 COC(=O)CC1NCCNC1=O MCULE-7143283004 [0,1,0,0,0,1|2,0,0]=4 447 B12R1.371 COC(=O)CC1SCCNC1=O MCULE-5178980105 [0,1,0,0,0,1|2,0,0]=4 448 B12R1.371 COC(=O)C[C@H]1CCCNC1=O MCULE-6276859232 [0,1,0,0,0,1|2,0,0]=4 449 B12R1.144 CC(=O)NC(=C1CCOC1=O)C MCULE-3278156296 [0,1,0,0,0,1|0,1,1]=4 450 B12R1.50 COC(=O)CC1CCCC(=O)C1 MCULE-1248399119 [0,1,0,0,0,1|2,0,0]=4 451 B12R1.101 CC(=O)NC1CC(=O)CC(=O)C1 MCULE-9719084203 [0,1,0,0,0,1|1,0,1]=4 452 B12R1.101 CC1CC(NC(=O)N1)NC(=O)N MCULE-7630681056 [0,1,0,0,0,1|2,0,0]=4 453 B12R1.101 [C@H]1(CC(NC(=O)N1)C)NC(=O)N MCULE-8535762246 [0,1,0,0,0,1|2,0,0]=4 454 B12R1.468 COC(=O)C(=O)C1CCCC1=O MCULE-8580947986 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.318 CCCC(=O)NC1CCOC1=O MCULE-9510069763 [0,2,0,0,0,0|0,1,0]=3 456 B12R1.318 CCCC(=O)N[C@H]1CCOC1=O MCULE-2494589264 [0,2,0,0,0,0|0,1,0]=3 457 B12R1.318 CCCC(=O)N[C@H]1CCOC1=O MCULE-6957542641 [0,2,0,0,0,0|0,1,0]=3 458 B12R1.318 CCCC(=O)N[C@H]1CCSC1=O MCULE-1178132359 [0,2,0,0,0,0|0,0,0]=2 459 B12R1.318 CCOC(=O)CC1CCCC1=O MCULE-1924947890 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.318 CCOC(=O)CN1CCSC1=O MCULE-6477555127 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.18 CC(=O)N[C@H]1CC=CCC1 MCULE-6218263527 [0,0,1,1,0,0|2,0,0]=4 462 B10R1.61 CC(=O)C1CCCCC1=O MCULE-4487262627 [0,0,1,1,0,0|2,0,0]=4 463 B10R1.61 CC(=O)N1CCCCC1=O MCULE-2016057739 [0,0,1,1,0,0|1,0,0]=3 464 B10R1.77 O=C1CCCCCC(=O)C1 MCULE-5507646577 [0,0,1,1,0,0|2,0,0]=4 465 B10R1.14 C1(CCC(=O)C1)C(=O)OC MCULE-8334918383 [0,0,1,1,0,0|1,1,0]=4 466 B10R1.14 C1(CCC(=O)N1)C(=O)OC MCULE-5897242243 [0,0,1,1,0,0|0,1,0]=3 467 B10R1.14 COC(=O)C1CCC(=O)C1 MCULE-5952382453 [0,0,1,1,0,0|1,1,0]=4 468 B10R1.14 COC(=O)C1CCC(=O)N1 MCULE-2849406517 [0,0,1,1,0,0|0,1,0]=3 469 B10R1.14 COC(=O)C1CCC(=O)O1 MCULE-7228187740 [0,0,1,1,0,0|1,1,0]=4 470 B10R1.14 COC(=O)C1CCC(=S)N1 MCULE-8993064502 [0,0,1,1,0,0|0,2,0]=4 471 B10R1.14 COC(=O)C1COC(=O)N1 MCULE-5827623021 [0,0,1,1,0,0|1,1,0]=4 472 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 MCULE-7952909342 [0,0,1,1,0,0|1,1,0]=4 473 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 MCULE-8638772412 [0,0,1,1,0,0|1,1,0]=4 474 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 MCULE-6776274122 [0,0,1,1,0,0|0,1,0]=3 475 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 MCULE-8837580582 [0,0,1,1,0,0|0,1,0]=3 476 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 MCULE-7346796735 [0,0,1,1,0,0|1,1,0]=4 477 B10R1.14 COC(=O)[C@@H]1CNC(=O)N1 MCULE-4832270504 [0,0,1,1,0,0|1,1,0]=4 478 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 MCULE-6173112740 [0,0,1,1,0,0|1,1,0]=4 479 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 MCULE-6859943891 [0,0,1,1,0,0|1,1,0]=4 480 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 MCULE-7172592478 [0,0,1,1,0,0|1,1,0]=4 481 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 MCULE-7163955131 [0,0,1,1,0,0|0,1,0]=3 482 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 MCULE-8190805012 [0,0,1,1,0,0|0,1,0]=3 483 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-2949058133 [0,0,1,1,0,0|1,1,0]=4 484 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-7663400355 [0,0,1,1,0,0|1,1,0]=4 485 B10R1.14 COC(=O)[C@H]1CCC(=S)N1 MCULE-1412233687 [0,0,1,1,0,0|0,2,0]=4 486 B10R1.14 COC(=O)[C@H]1COC(=O)N1 MCULE-1359293106 [0,0,1,1,0,0|1,1,0]=4 487 B10R1.14 COC(=O)[C@H]1COC(=O)N1 MCULE-8105273052 [0,0,1,1,0,0|1,1,0]=4 488 B10R1.14 NNC(=O)C1CCC(=O)N1 MCULE-1320186983 [0,0,1,1,0,0|2,0,0]=4 489 B10R1.14 [C@H]1(CCC(=O)O1)C(=O)OC MCULE-8761301192 [0,0,1,1,0,0|1,1,0]=4 490 B10R1.14 [C@H]1(CCC(=S)N1)C(=O)OC MCULE-6420555771 [0,0,1,1,0,0|0,2,0]=4 491 B10R1.14 [C@H]1(COC(=O)N1)C(=O)OC MCULE-6209661780 [0,0,1,1,0,0|1,1,0]=4 492 B10R1.22 C[C@@H]1NC(=O)CN(C1=O)C MCULE-5273259806 [0,0,1,1,0,0|1,0,0]=3 493 B10R1.408 COC(=O)C1CC1C(=O)C MCULE-9692510329 [0,0,1,1,0,0|1,1,0]=4 494 B10R1.424 COC(=O)C1(CC(=O)C1)C MCULE-2114624885 [0,0,1,1,0,0|1,1,0]=4 495 B10R1.30 CC[C@@H]1NC(=O)CNC1=O MCULE-4523744319 [0,0,1,1,0,0|1,0,0]=3 496 B10R1.30 O=C1CNC(=O)C(N1)CO MCULE-6601689011 [0,0,1,1,0,0|2,0,0]=4 497 B10R1.30 O=C1CNC(=O)[C@@H](N1)CO MCULE-1937112846 [0,0,1,1,0,0|2,0,0]=4 498 B10R1.30 O=C1CNC(=O)[C@@H](N1)CO MCULE-7896009458 [0,0,1,1,0,0|2,0,0]=4 499 B10R1.113 CC1=NCCC(N1)C(=O)O MCULE-8417553503 [0,0,1,1,0,0|1,1,0]=4 500 B10R1.113 NC(=O)C1CCCC(=O)C1 MCULE-3502536681 [0,0,1,1,0,0|2,0,0]=4 501 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,0,1,1,0,0|1,1,0]=4 502 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,0,1,1,0,0|0,1,0]=3 503 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,0,1,1,0,0|0,1,0]=3 504 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,0,1,1,0,0|1,1,0]=4 505 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,0,1,1,0,0|0,1,0]=3 506 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,0,1,1,0,0|0,1,0]=3 507 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,0,1,1,0,0|1,1,0]=4 508 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,0,1,1,0,0|0,1,0]=3 509 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,0,1,1,0,0|0,1,0]=3 510 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [0,0,1,1,0,0|1,1,0]=4 511 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [0,0,1,1,0,0|1,1,0]=4 512 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [0,0,1,1,0,0|1,1,0]=4 513 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [0,0,1,1,0,0|1,1,0]=4 514 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [0,0,1,1,0,0|1,1,0]=4 515 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,0,1,1,0,0|1,1,0]=4 516 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [0,0,1,1,0,0|1,1,0]=4 517 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,0,1,1,0,0|1,1,0]=4 518 B10R1.361 CC(=O)N1CCC1C(=O)O MCULE-4216069349 [0,0,1,1,0,0|0,1,0]=3 519 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O MCULE-3086147567 [0,0,1,1,0,0|0,1,0]=3 520 B10R1.442 CC(=O)NC1(CC1)C(=O)O MCULE-6784900310 [0,0,1,1,0,0|0,1,0]=3 521 B10R1.442 CC(=O)OC1(CC1)C(=O)O MCULE-7634246100 [0,0,1,1,0,0|1,1,0]=4 522 B10R1.442 NC(=O)NC1(CC1)C(=O)O MCULE-5553928485 [0,0,1,1,0,0|1,1,0]=4 523 B10R1.140 CCOC(=O)C1CC(=O)C1 MCULE-4058851606 [0,0,1,1,0,0|1,1,0]=4 524 B10R1.211 CC(=O)OCC(=O)C1CC1 MCULE-1675412682 [0,0,1,1,0,0|2,0,0]=4 525 B10R2.2 O=C1CC2CC=CC2N1 MCULE-3405492374 [1,0,0,1,0,0|1,0,0]=3 526 B10R2.2 O=C1CC2CSCC2C1 MCULE-4252225312 [1,0,0,1,0,0|1,0,1]=4 527 B10R2.2 O=C1CC2NCCC2N1 MCULE-2516258983 [1,0,0,1,0,0|1,0,1]=4 528 B10R2.2 O=C1CC2NCCC2N1 MCULE-4812066577 [1,0,0,1,0,0|1,0,1]=4 529 B10R2.2 O=C1C[C@H]2CNC[C@H]2N1 MCULE-1957680032 [1,0,0,1,0,0|1,0,1]=4 530 B10R2.2 O=C1C[C@H]2CNC[C@H]2N1 MCULE-7552969915 [1,0,0,1,0,0|1,0,1]=4 531 B10R2.2 O=C1C[C@H]2CNC[C@H]2N1 MCULE-7784404606 [1,0,0,1,0,0|1,0,1]=4 532 B10R2.2 [C@@H]12CCC=C1CC(=O)O2 MCULE-9594804536 [1,0,0,1,0,0|2,0,0]=4 533 B10R2.2 [C@@H]12CCC[C@@H]1NC(=O)C2 MCULE-5874650388 [1,0,0,1,0,0|1,0,1]=4 534 B10R2.2 [C@H]12CC(=O)N[C@H]1CCN2 MCULE-1007187560 [1,0,0,1,0,0|1,0,1]=4 535 B10R2.2 [C@H]12CC(=O)N[C@H]1CCN2 MCULE-8278160952 [1,0,0,1,0,0|1,0,1]=4 536 B10R2.2 [C@H]12CNC[C@H]1NC(=O)C2 MCULE-7304016492 [1,0,0,1,0,0|1,0,1]=4 537 B10R2.2 [C@H]12CNC[C@H]1NC(=O)C2 MCULE-7777955928 [1,0,0,1,0,0|1,0,1]=4 538 B10R2.2 [C@H]12CSC[C@@H]1CC(=O)C2 MCULE-1515065997 [1,0,0,1,0,0|1,0,1]=4 539 B10R2.71 O=C1CN2CC[C@@H](C2)N1 MCULE-3819060585 [1,0,0,1,0,0|1,0,1]=4 540 B10R2.316 O=C1CC2(N1)CCCC2 MCULE-3716375013 [1,0,0,1,0,0|1,0,1]=4 541 B10R2.32 C12CCNC1C(=O)NC2 MCULE-9691167616 [1,0,0,1,0,0|1,0,1]=4 542 B10R2.32 [C@@H]12CCN[C@@H]1C(=O)NC2 MCULE-6925376025 [1,0,0,1,0,0|1,0,1]=4 543 B10R2.32 [C@H]12CCN[C@H]1C(=O)NC2 MCULE-5094345573 [1,0,0,1,0,0|1,0,1]=4 544 B10R2.32 [C@H]12CCN[C@H]1C(=O)NC2 MCULE-5128140663 [1,0,0,1,0,0|1,0,1]=4 545 B10R2.60 O=C1CC2CC1CC2=O MCULE-4162023068 [1,0,0,1,0,0|2,0,0]=4 546 B10R2.61 O=C1NC2CCNC1C2 MCULE-4221823714 [1,0,0,1,0,0|1,0,1]=4 547 B10R2.61 O=C1OC2CCNC1C2 MCULE-8392788767 [1,0,0,1,0,0|0,1,1]=4 548 B12R2.2314 O=C1CC2(CCOC2=O)CN1 MCULE-7214440642 [0,0,0,1,0,1|0,1,0]=3 549 B12R2.606 O=C1CC2CNC(=O)CC2C1 MCULE-6712553340 [0,0,0,1,0,1|2,0,0]=4 550 B12R2.246 O=C1NC(=O)C2=C(N1)CCS2 MCULE-5307345388 [0,1,0,1,0,0|1,0,1]=4 551 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,0,1,0,1,0|2,0,0]=4 552 B8R0.2 CNC(=O)C(Cl)C(=O)C MCULE-7816149596 [0,0,1,0,1,0|2,0,0]=4 553 B8R0.2 COC(=O)C(Br)C(=O)C MCULE-4571030586 [0,0,1,0,1,0|1,1,0]=4 554 B8R0.2 COC(=O)C(C)C(=O)C MCULE-7473005493 [0,0,1,0,1,0|0,1,0]=3 555 B8R0.2 COC(=O)C(C)C(=O)N MCULE-7480268767 [0,0,1,0,1,0|1,1,0]=4 556 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,0,1,0,1,0|1,1,0]=4 557 B8R0.2 COC(=O)C(Cl)C(=O)C MCULE-8703201551 [0,0,1,0,1,0|1,1,0]=4 558 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6003738013 [0,0,1,0,1,0|1,1,0]=4 559 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6286319401 [0,0,1,0,1,0|1,1,0]=4 560 B8R0.18 CCC(C(=O)C)C(=O)C MCULE-2654310210 [0,0,1,0,1,0|1,0,0]=3 561 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-6595833151 [0,0,1,0,1,0|0,1,0]=3 562 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-8541174028 [0,0,1,0,1,0|0,1,0]=3 563 B8R0.18 CCC(C(=O)Cl)C(=O)Cl MCULE-8542721391 [0,0,1,0,1,0|2,0,0]=4 564 B8R0.18 CCC(C(=O)O)C(=O)O MCULE-3288957588 [0,0,1,0,1,0|1,1,0]=4 565 B8R0.18 CCC(C(=O)[O-])C(=O)[O-] MCULE-5481544745 [0,0,1,0,1,0|1,1,0]=4 566 B8R0.18 COC(C(=O)C)C(=O)C MCULE-2169553892 [0,0,1,0,1,0|2,0,0]=4 567 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [1,0,0,0,1,0|1,0,1]=4 568 B8R1.7 CC(=O)C1CCC=N1 MCULE-5434976735 [1,0,0,0,1,0|2,0,0]=4 569 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [1,0,0,0,1,0|1,0,1]=4 570 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [1,0,0,0,1,0|2,0,0]=4 571 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [1,0,0,0,1,0|2,0,0]=4 572 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [1,0,0,0,1,0|2,0,0]=4 573 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [1,0,0,0,1,0|1,0,1]=4 574 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [1,0,0,0,1,0|1,0,1]=4 575 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [1,0,0,0,1,0|0,1,1]=4 576 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [1,0,0,0,1,0|2,0,0]=4 577 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [1,0,0,0,1,0|2,0,0]=4 578 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [1,0,0,0,1,0|2,0,0]=4 579 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [1,0,0,0,1,0|2,0,0]=4 580 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [1,0,0,0,1,0|2,0,0]=4 581 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [1,0,0,0,1,0|2,0,0]=4 582 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [1,0,0,0,1,0|2,0,0]=4 583 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [1,0,0,0,1,0|2,0,0]=4 584 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [1,0,0,0,1,0|2,0,0]=4 585 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [1,0,0,0,1,0|2,0,0]=4 586 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [1,0,0,0,1,0|1,0,1]=4 587 B8R1.34 CC(=O)CC1CCC1 MCULE-8119711389 [1,0,0,0,1,0|1,0,1]=4 588 B8R1.34 CC(=O)NC1CNC1 MCULE-8262716671 [1,0,0,0,1,0|1,0,1]=4 589 B8R1.34 CC(=O)NC1CNC1 MCULE-9475906960 [1,0,0,0,1,0|1,0,1]=4 590 B8R1.34 NC(=O)NC1CCC1 MCULE-4153424610 [1,0,0,0,1,0|1,0,1]=4 591 B8R1.13 C=CCC1CCC1=O MCULE-1128394688 [1,0,0,0,1,0|1,0,1]=4 592 B8R1.13 CCCC1CCC1=O MCULE-7626165824 [1,0,0,0,1,0|1,0,1]=4 593 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,0,0,0,2,0|2,0,0]=4 594 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [0,0,0,0,2,0|1,0,1]=4 595 B8R1.31 CC(C)C1CCC1=O MCULE-1869737626 [0,0,0,0,2,0|1,0,1]=4 596 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [0,0,1,0,0,1|1,1,0]=4 597 B10R1.4 O=CNC1CCCCC1=O MCULE-8243533487 [1,0,0,0,0,1|1,0,0]=3 598 B12R1.125 CC(=O)OCC1CCCCC1=O MCULE-8211145047 [0,0,0,0,0,2|2,0,0]=4 599 B12R1.125 CC(=O)OCC1NCCNC1=O MCULE-7895602742 [0,0,0,0,0,2|2,0,0]=4