0 B28R3.1577468486 COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C)OC)OC)OC MCULE-1703608488 [0,0,0,0,0,0|0,0,0]=0 1 B28R3.1577468486 COC1=CC=C(C=C1OC)CC2=[N+](C=CC3=C2C=C(C(=C3)OC)OC)C MCULE-1739022252 [0,0,0,0,0,0|0,0,4]=4 2 B28R3.1577468486 COC1=CC=C(C=C1OC)CC2=[N+](C=CC3=C2C=C(C(=C3)OC)OC)C MCULE-1768130386 [0,0,0,0,0,0|0,0,4]=4 3 B28R3.1577468486 COC1=CC=C(C=C1OC)C[C@H]2C3=C(C=C(C(=C3)OC)OC)CCN2C MCULE-9824379461 [0,0,0,0,0,0|0,0,0]=0 4 B28R3.1577468486 COC1=CC=C(C=C1OC)C[C@H]2C3=CC(=C(C=C3CCN2C)OC)OC MCULE-4104007202 [0,0,0,0,0,0|0,0,0]=0 5 B27R3.94545917 COC1=C(C=C(C=C1)C[C@@H]2NCCC3=CC(=C(C=C23)OC)OC)OC MCULE-5328849196 [1,0,0,0,0,0|0,0,0]=1 6 B27R3.94545917 COC1=CC2=C(C=C1OC)C(=NCC2)CC3=CC(=C(C=C3)OC)OC MCULE-7173585230 [1,0,0,0,0,0|0,0,2]=3 7 B27R3.94545917 COC1=CC2=C(C=C1OC)C(=NCC2)CC3=CC(=C(C=C3)OC)OC MCULE-7277137997 [1,0,0,0,0,0|0,0,2]=3 8 B27R3.94545917 COC1=CC2=C(C=C1OC)C(NCC2)CC3=CC(=C(C=C3)OC)OC MCULE-1380409514 [1,0,0,0,0,0|0,0,0]=1 9 B27R3.94545917 COC1=CC2=C(C=C1OC)C(NCC2)CC3=CC(=C(C=C3)OC)OC MCULE-4925299859 [1,0,0,0,0,0|0,0,0]=1 10 B27R3.94545917 COC1=CC=C(C=C1OC)CC2NCCC3=CC(=C(C=C23)OC)OC MCULE-1200373525 [1,0,0,0,0,0|0,0,0]=1 11 B27R3.94545917 COC1=CC=C(C=C1OC)C[C@@H]2NCCC3=C2C=C(C(=C3)OC)OC MCULE-1575665205 [1,0,0,0,0,0|0,0,0]=1 12 B27R3.94545917 COC1=CC=C(C=C1OC)C[C@@H]2NCCC3=C2C=C(C(=C3)OC)OC MCULE-4098373223 [1,0,0,0,0,0|0,0,0]=1 13 B27R3.94545917 COC1=CC=C(C=C1OC)C[C@@H]2[NH2+]CCC3=C2C=C(C(=C3)OC)OC MCULE-6203217859 [1,0,0,0,0,0|0,0,1]=2 14 B27R3.94545917 COC1=CC=C(C=C1OC)C[C@H]2NCCC3=C2C=C(C(=C3)OC)OC MCULE-1856051680 [1,0,0,0,0,0|0,0,0]=1 15 B27R3.94545917 COC1=CC=C(C=C1OC)C[C@H]2NCCC3=C2C=C(C(=C3)OC)OC MCULE-2524168886 [1,0,0,0,0,0|0,0,0]=1 16 B27R3.94545917 COC1=CC=C(C=C1OC)C[C@H]2NCCC3=C2C=C(C(=C3)OC)OC MCULE-7127931962 [1,0,0,0,0,0|0,0,0]=1 17 B27R3.94545917 COC1=CC=C(C=C1OC)C[C@H]2NCCC3=C2C=C(C(=C3)OC)OC MCULE-9356901964 [1,0,0,0,0,0|0,0,0]=1 18 B27R3.1291632139 COC1=CC2=C(C=C1O)C(N(CC2)C)CC3=CC=C(C(=C3)OC)OC MCULE-8515528665 [1,0,0,0,0,0|0,0,0]=1 19 B27R3.1292059043 COC1=CC=C(C=C1O)CC2C3=C(C=C(C(=C3)OC)OC)CCN2C MCULE-2724982116 [1,0,0,0,0,0|0,0,0]=1 20 B27R3.1292059043 COC1=CC=C(C=C1O)C[C@@H]2C3=CC(=C(C=C3CCN2C)OC)OC MCULE-9109804201 [1,0,0,0,0,0|0,0,0]=1 21 B27R2.1211824623 COC1=CC=C(C=C1OC)CCN(C)CCC2=CC=C(C(=C2)OC)OC MCULE-5494145509 [0,0,1,0,0,0|0,0,0]=1 22 B27R2.1211824623 COC1=CC=C(C=C1OC)CCN(C)CCC2=CC=C(C(=C2)OC)OC MCULE-7587654182 [0,0,1,0,0,0|0,0,0]=1 23 B29R4.955448759 COC1=CC2=C(C=C1OC)CN3CCC4=C([C@@H]3C2)C=C(C(=C4)OC)OC MCULE-2524614029 [0,0,0,1,0,0|0,0,0]=1 24 B29R4.2553710690 COC1=C(C=C2C(=C1)CCN3C2=CC4=C(C3)C(=C(C=C4)OC)OC)OC MCULE-4444788920 [0,0,0,1,0,0|0,0,2]=3 25 B29R4.2553710690 COC1=C(C=C2C(=C1)CCN3C2CC4=C(C3)C(=C(C=C4)OC)OC)OC MCULE-9155587841 [0,0,0,1,0,0|0,0,0]=1 26 B29R4.2553710690 COC1=C(C=C2C(=C1)CCN3[C@@H]2CC4=C(C3)C(=C(C=C4)OC)OC)OC MCULE-9590328189 [0,0,0,1,0,0|0,0,0]=1 27 B29R4.2553710690 COC1=C(C=C2C(=C1)CCN3[C@H]2CC4=C(C3)C(=C(C=C4)OC)OC)OC MCULE-5343199995 [0,0,0,1,0,0|0,0,0]=1 28 B29R4.2553710690 COC1=CC2=C(C=C1OC)C3CC4=C(CN3CC2)C(=C(C=C4)OC)OC MCULE-6416122110 [0,0,0,1,0,0|0,0,0]=1 29 B29R4.2553710690 COC1=CC2=C(C=C1OC)C3CC4=C(CN3CC2)C(=C(C=C4)OC)OC MCULE-7006385138 [0,0,0,1,0,0|0,0,0]=1 30 B29R4.2553710690 COC1=CC2=C(C=C1OC)C3CC4=C(CN3CC2)C(=C(C=C4)OC)OC MCULE-8660139483 [0,0,0,1,0,0|0,0,0]=1 31 B29R4.2553710690 [C@@H]12CC3=CC=C(C(=C3CN1CCC4=CC(=C(C=C24)OC)OC)OC)OC MCULE-9823434055 [0,0,0,1,0,0|0,0,0]=1 32 B29R4.2553710690 [C@H]12CC3=C(CN1CCC4=CC(=C(C=C24)OC)OC)C(=C(C=C3)OC)OC MCULE-1328768112 [0,0,0,1,0,0|0,0,0]=1 33 B29R4.2553710690 [C@H]12CC3=C(C[NH+]1CCC4=CC(=C(C=C24)OC)OC)C(=C(C=C3)OC)OC MCULE-7464134414 [0,0,0,1,0,0|0,0,1]=2 34 B29R4.8380176261 COC1=C(C=C2C(=C1)C[C@H]3C4=C2C(=C(C=C4CCN3C)OC)OC)OC MCULE-6725084564 [0,0,0,1,0,0|0,0,0]=1 35 B29R4.8380176261 COC1=CC2=C(C=C1OC)C3=C(C(=CC4=C3C(C2)[NH+](CC4)C)OC)OC MCULE-8352631027 [0,0,0,1,0,0|0,0,1]=2 36 B29R4.8380176261 COC1=CC2=C(C=C1OC)C3=C4C(=CC(=C3OC)OC)CCN(C4=C2)C MCULE-9517315258 [0,0,0,1,0,0|0,0,2]=3 37 B29R4.8380176261 COC1=CC2=C(C=C1OC)C3=C4C(=CC(=C3OC)OC)CCN([C@H]4C2)C MCULE-3191038894 [0,0,0,1,0,0|0,0,0]=1 38 B29R4.8380176261 COC1=CC2=C3C(=C1OC)C4=CC(=C(C=C4CC3N(CC2)C)OC)OC MCULE-8072093613 [0,0,0,1,0,0|0,0,0]=1 39 B29R4.8380176261 COC1=CC2=C3C(=C1OC)C4=CC(=C(C=C4C[C@@H]3N(CC2)C)OC)OC MCULE-9572357326 [0,0,0,1,0,0|0,0,0]=1 40 B29R4.8380176261 [C@H]12CC3=CC(=C(C=C3C4=C1C(=CC(=C4OC)OC)CCN2C)OC)OC MCULE-1554373689 [0,0,0,1,0,0|0,0,0]=1 41 B29R4.8380176261 [C@H]12CC3=CC(=C(C=C3C4=C1C(=CC(=C4OC)OC)CCN2C)OC)OC MCULE-6128851035 [0,0,0,1,0,0|0,0,0]=1 42 B27R3.1291615992 COC1=CC=C(C=C1OC)C2C3=C(C=C(C(=C3)OC)OC)CCN2C MCULE-1147835099 [0,0,0,0,1,0|0,0,0]=1 43 B26R2.341887949 COC1=CC=C(C=C1OC)CC(NC=O)C2=CC(=C(C=C2)OC)OC MCULE-7292444085 [1,0,1,0,0,0|1,0,1]=4 44 B26R3.84932114 COC1=CC=C(C=C1OC)CC2C3=CC(=C(C=C3CCN2C)O)O MCULE-3775135762 [2,0,0,0,0,0|0,0,0]=2 45 B26R3.1273385732 COC1=CC=C(C=C1O)CC2C3=CC(=C(C=C3CCN2C)OC)O MCULE-2860196975 [2,0,0,0,0,0|0,0,0]=2 46 B26R3.1273385732 COC1=CC=C(C=C1O)C[C@@H]2C3=C(C=C(C(=C3)O)OC)CCN2C MCULE-4412245792 [2,0,0,0,0,0|0,0,0]=2 47 B26R3.1273385732 COC1=CC=C(C=C1O)C[C@H]2C3=C(C=C(C(=C3)O)OC)CCN2C MCULE-1754653372 [2,0,0,0,0,0|0,0,0]=2 48 B26R3.1273385732 [C@@H]1(C2=CC(=C(C=C2CCN1C)OC)O)CC3=CC(=C(C=C3)OC)O MCULE-4953302730 [2,0,0,0,0,0|0,0,0]=2 49 B26R3.1273385732 [C@H]1(C2=CC(=C(C=C2CCN1C)OC)O)CC3=CC(=C(C=C3)OC)O MCULE-1367303166 [2,0,0,0,0,0|0,0,0]=2 50 B28R3.1305950747 COC1=CC2=C(C=C1O)C(N(CC2)C)CC3=CC(=C(C=C3Br)OC)OC MCULE-1585924672 [1,1,0,0,0,0|0,0,0]=2 51 B28R3.3025613924 COC1=CC=C(C=C1OC)[C@H]2C3=CC(=C(C=C3C[C@H]([C@@H]2C)C)OC)OC MCULE-2912579253 [0,1,0,0,1,0|1,0,0]=3 52 B30R3.14801843030 COC1=C(C=C(C=C1)C(=O)C2=CC3=CC(=C(C=C3CCN2C)OC)OC)OC MCULE-3521348933 [0,1,0,0,0,1|0,0,2]=4 53 B30R3.1030788716 COC1=CC2=C(C=C1OC)C(N(CC2)C)CC3=CC(=C(C(=C3)OC)OC)OC MCULE-4071188423 [0,2,0,0,0,0|0,0,0]=2 54 B30R3.1030788716 COC1=CC2=C(C=C1OC)C(N(CC2)C)CC3=CC(=C(C(=C3)OC)OC)OC MCULE-9246797226 [0,2,0,0,0,0|0,0,0]=2 55 B30R3.2800649375 COC1=CC=C(C=C1OC)CC2C3=CC(=C(C=C3CCN2C(=O)C)OC)OC MCULE-3358675822 [0,2,0,0,0,0|0,0,0]=2 56 B28R3.4258104900 CNCCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C23)OC)OC)OC)OC MCULE-3961371557 [0,0,1,1,0,0|0,0,2]=4 57 B28R3.4258104900 CNCCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C23)OC)OC)OC)OC MCULE-7855901252 [0,0,1,1,0,0|0,0,2]=4 58 B28R4.1445113815 COC1=CC2=C(C=C1OC)C3=C4C(=CC(=C3OC)OC)CCN[C@H]4C2 MCULE-3374107952 [1,0,0,1,0,0|0,0,0]=2 59 B28R4.1232382390 [C@@H]12CC3=C(CN1CCC4=CC(=C(C=C24)O)OC)C(=C(C=C3)OC)OC MCULE-2739186472 [1,0,0,1,0,0|0,0,0]=2 60 B28R4.1232382390 [C@@H]12CC3=CC=C(C(=C3CN1CCC4=CC(=C(C=C24)O)OC)OC)OC MCULE-3987199342 [1,0,0,1,0,0|0,0,0]=2 61 B28R4.1800866984 C12CC3=C(C=C(C(=C3)OC)OC)C4=C1C(=CC(=C4O)OC)CCN2C MCULE-4133192428 [1,0,0,1,0,0|0,0,0]=2 62 B28R4.1833084757 COC1=C(C2=C3C(=C1)CCN(C3CC4=C2C(=C(C=C4)OC)OC)C)O MCULE-7267340342 [1,0,0,1,0,0|0,0,0]=2 63 B28R4.1833084757 COC1=CC2=C3C(=C1O)C4=C(C=CC(=C4OC)OC)CC3N(CC2)C MCULE-2539231400 [1,0,0,1,0,0|0,0,0]=2 64 B28R4.1833084757 [C@H]12CC3=C(C(=C(C=C3)OC)OC)C4=C(C(=CC(=C41)CCN2C)OC)O MCULE-4394754071 [1,0,0,1,0,0|0,0,0]=2 65 B28R4.1833084757 [C@H]12CC3=C(C(=C(C=C3)OC)OC)C4=C1C(=CC(=C4O)OC)CCN2C MCULE-1863186132 [1,0,0,1,0,0|0,0,0]=2 66 B28R4.1833084757 [C@H]12CC3=C(C(=C(C=C3)OC)OC)C4=C1C(=CC(=C4O)OC)CCN2C MCULE-9044290951 [1,0,0,1,0,0|0,0,0]=2 67 B28R4.2298365805 COC1=C[C@]23CCN([C@H](C2=CC1=O)CC4=C3C=C(C(=C4)OC)OC)C MCULE-8261947680 [1,0,0,1,0,0|0,0,2]=4 68 B28R4.2298365805 COC1=C[C@]23CCN([C@H](C2=CC1=O)CC4=CC(=C(C=C34)OC)OC)C MCULE-5346387597 [1,0,0,1,0,0|0,0,2]=4 69 B28R4.1232382383 COC1=C(C=C2CCN3CC4=C(C=CC(=C4OC)OC)C[C@H]3C2=C1)O MCULE-1748991101 [1,0,0,1,0,0|0,0,0]=2 70 B28R4.1232382383 COC1=CC2=C(C=C1O)CCN3C2CC4=CC=C(C(=C4C3)OC)OC MCULE-1935763935 [1,0,0,1,0,0|0,0,0]=2 71 B28R4.1232382383 [C@@H]12CC3=C(CN1CCC4=CC(=C(C=C24)OC)O)C(=C(C=C3)OC)OC MCULE-9943627177 [1,0,0,1,0,0|0,0,0]=2 72 B28R4.1232382383 [C@H]12CC3=C(CN1CCC4=C2C=C(C(=C4)O)OC)C(=C(C=C3)OC)OC MCULE-5838958245 [1,0,0,1,0,0|0,0,0]=2 73 B28R4.1232382383 [C@H]12CC3=C(CN1CCC4=CC(=C(C=C24)OC)O)C(=C(C=C3)OC)OC MCULE-9945463658 [1,0,0,1,0,0|0,0,0]=2 74 B28R4.1833084758 COC1=CC=C2C[C@H]3C4=C(C2=C1OC)C(=C(C=C4CCN3C)O)OC MCULE-1895816779 [1,0,0,1,0,0|0,0,0]=2 75 B28R4.1833084758 [C@H]12CC3=C(C(=C(C=C3)OC)OC)C4=C1C(=CC(=C4OC)O)CCN2C MCULE-6883632748 [1,0,0,1,0,0|0,0,0]=2 76 B28R4.1800865984 [C@H]12CC3=C(C=C(C(=C3)O)OC)C4=C1C(=CC(=C4OC)OC)CCN2C MCULE-6583767526 [1,0,0,1,0,0|0,0,0]=2 77 B28R4.1800865984 [C@H]12CC3=C(C=C(C(=C3)O)OC)C4=C1C(=CC(=C4OC)OC)CCN2C MCULE-9885396232 [1,0,0,1,0,0|0,0,0]=2 78 B28R4.1833084772 C12CC3=CC=C(C(=C3C4=C1C(=CC(=C4OC)OC)CCN2C)O)OC MCULE-2587470605 [1,0,0,1,0,0|0,0,0]=2 79 B28R4.1833084772 [C@H]12CC3=C(C(=C(C=C3)OC)O)C4=C(C(=CC(=C41)CCN2C)OC)OC MCULE-9932522077 [1,0,0,1,0,0|0,0,0]=2 80 B28R4.1833084772 [C@H]12CC3=C(C(=C(C=C3)OC)O)C4=C1C(=CC(=C4OC)OC)CCN2C MCULE-6219865812 [1,0,0,1,0,0|0,0,0]=2 81 B28R4.1833084772 [C@H]12CC3=C(C(=C(C=C3)OC)O)C4=C1C(=CC(=C4OC)OC)CCN2C MCULE-6395231866 [1,0,0,1,0,0|0,0,0]=2 82 B28R4.302868616 COC1=C(C=C2C(=C1)CCN3C2CC4=C(C3)C(=C(C=C4)O)OC)OC MCULE-8963936673 [1,0,0,1,0,0|0,0,0]=2 83 B28R4.302868616 [C@@H]12CC3=C(CN1CCC4=CC(=C(C=C24)OC)OC)C(=C(C=C3)O)OC MCULE-5827277495 [1,0,0,1,0,0|0,0,0]=2 84 B28R4.302868616 [C@@H]12CC3=CC=C(C(=C3CN1CCC4=CC(=C(C=C24)OC)OC)OC)O MCULE-4370666512 [1,0,0,1,0,0|0,0,0]=2 85 B28R4.1800869818 [C@H]12CC3=C(C(=C(C=C3)O)OC)C4=C1C(=CC(=C4OC)OC)CCN2C MCULE-8207543011 [1,0,0,1,0,0|0,0,0]=2 86 B28R4.1800869818 [C@H]12CC3=CC=C(C(=C3C4=C(C(=CC(=C41)CCN2C)OC)OC)OC)O MCULE-9525501740 [1,0,0,1,0,0|0,0,0]=2 87 B30R4.889326806 COC1=CC2=C(C=C1OC)C(=O)N3CCC4=CC(=C(C=C4C3C2)OC)OC MCULE-5777687652 [0,1,0,1,0,0|0,0,1]=3 88 B30R4.1495296021 COC1=CC2=C(C=C1OC)C3CC4=C(C[N+]3(CC2)[O-])C(=C(C=C4)OC)OC MCULE-7217933787 [0,1,0,1,0,0|0,0,1]=3 89 B30R4.1495296021 COC1=CC2=C(C=C1OC)[C@@H]3CC4=C(C[N@+]3(CC2)[O-])C(=C(C=C4)OC)OC MCULE-6619189525 [0,1,0,1,0,0|0,0,1]=3 90 B30R4.1495296021 COC1=CC2=C(C=C1OC)[C@@H]3CC4=C(C[N@@+]3(CC2)[O-])C(=C(C=C4)OC)OC MCULE-9296543830 [0,1,0,1,0,0|0,0,1]=3 91 B30R4.1495296021 COC1=CC=C2C[C@H]3C4=CC(=C(C=C4CC[N@@+]3(CC2=C1OC)[O-])OC)OC MCULE-4760592973 [0,1,0,1,0,0|0,0,1]=3 92 B30R4.1495296021 [C@@H]12CC3=C(C[N+]1(CCC4=CC(=C(C=C24)OC)OC)[O-])C(=C(C=C3)OC)OC MCULE-5543501428 [0,1,0,1,0,0|0,0,1]=3 93 B30R4.3871385852 COC1=CC2=C(C=C1OC)C3=C(C(=CC4=C3C(C2)[N+](CC4)(C)C)OC)OC MCULE-1574109906 [0,1,0,1,0,0|0,0,1]=3 94 B30R4.3871385852 COC1=CC2=C(C=C1OC)C3=C(C(=CC4=C3C(C2)[N+](CC4)(C)C)OC)OC MCULE-2898638128 [0,1,0,1,0,0|0,0,1]=3 95 B30R4.2651858199 [C@@H]12CC3=CC=C(C(=C3CN1CCC4=CC(=C(C(=C24)O)OC)OC)OC)OC MCULE-2611506278 [0,1,0,1,0,0|0,0,0]=2 96 B30R4.2653477667 COC1=CC2=C(C=C1OC)C3C(C4=C(CN3CC2)C(=C(C=C4)OC)OC)C MCULE-6675093805 [0,1,0,1,0,0|0,0,0]=2 97 B30R4.2653477667 [C@@H]12C3=C(C=C(C(=C3)OC)OC)CCN1CC4=C([C@@H]2C)C=CC(=C4OC)OC MCULE-1021050764 [0,1,0,1,0,0|0,0,0]=2 98 B30R4.2653477667 [C@@H]12C3=CC(=C(C=C3CCN1CC4=C(C2C)C=CC(=C4OC)OC)OC)OC MCULE-4902484183 [0,1,0,1,0,0|0,0,0]=2 99 B30R4.2653477667 [C@@H]12C3=CC(=C(C=C3CCN1CC4=C([C@@H]2C)C=CC(=C4OC)OC)OC)OC MCULE-6042650831 [0,1,0,1,0,0|0,0,0]=2 100 B30R4.2653477667 [C@H]12C3=CC(=C(C=C3CCN1CC4=C(C(=CC=C4[C@@H]2C)OC)OC)OC)OC MCULE-2865733545 [0,1,0,1,0,0|0,0,0]=2 101 B26R2.50873077 COC1=CC=C(C=C1OC)CCN(C)CC2=CC=C(C(=C2)OC)OC MCULE-6856164271 [0,0,1,0,1,0|0,0,0]=2 102 B26R3.1273254584 COC1=CC2=C(C=C1OC)C(=NCC2)C3=CC(=C(C=C3)OC)OC MCULE-4319158000 [1,0,0,0,1,0|0,0,2]=4 103 B26R3.1273254584 COC1=CC2=C(C=C1OC)C(NCC2)C3=CC(=C(C=C3)OC)OC MCULE-2757477100 [1,0,0,0,1,0|0,0,0]=2 104 B26R3.1273254584 COC1=CC=C(C=C1OC)C2OCCC3=CC(=C(C=C23)OC)OC MCULE-9469648239 [1,0,0,0,1,0|1,0,0]=3 105 B26R3.1273254584 [NH2+]1CCC2=C(C1C3=CC=C(C(=C3)OC)OC)C=C(C(=C2)OC)OC MCULE-8793913251 [1,0,0,0,1,0|0,0,1]=3 106 B28R2.105033044 COC1=C(C=C(C=C1)CNCC(C)NCC2=CC(=C(C=C2)OC)OC)OC MCULE-1122317473 [0,0,1,0,0,1|2,0,0]=4 107 B28R2.105033044 COC1=C(C=C(C=C1)CNCC(C)NCC2=CC(=C(C=C2)OC)OC)OC MCULE-3500296667 [0,0,1,0,0,1|2,0,0]=4 108 B28R2.105033044 COC1=C(C=C(C=C1)CNCC(C)NCC2=CC(=C(C=C2)OC)OC)OC MCULE-5042923075 [0,0,1,0,0,1|2,0,0]=4