0 B9R1.38 C=C1OC(=O)OC1(C)C MCULE-6317618259 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.38 C=C1OC(=O)OC1(C)Cl MCULE-3465579815 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.38 CC1(CC(=O)CC1=O)C MCULE-3397643509 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.38 CC1(CC(=O)NC1=O)Br MCULE-2450694121 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.38 CC1(CC(=O)NC1=O)C MCULE-3157279987 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.38 CC1(CC(=O)OC1=O)C MCULE-3767285740 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.38 CC1(NC(=O)CC1=O)C MCULE-8883060941 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.38 CC1(NC(=O)CC1N)C MCULE-9628793006 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.38 CC1(NC(=O)CC1O)C MCULE-8306254701 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.38 CC1(NC(=O)NC1=O)C MCULE-9870409973 [0,0,0,0,0,0|1,0,2]=3 10 B9R1.38 CC1(NC(=S)NC1=O)C MCULE-8133524359 [0,0,0,0,0,0|1,1,2]=4 11 B9R1.38 CC1(OC(=N)C=C1N)C MCULE-2000512932 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.38 CC1(OC(=O)C=C1O)C MCULE-8125069507 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.38 CC1(OC(=O)CC1=O)C MCULE-9824471420 [0,0,0,0,0,0|1,0,1]=2 14 B9R1.38 CC1(OC(=O)N=C1N)C MCULE-1911233295 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.38 CC1(OC(=O)NC1=O)C MCULE-2681916511 [0,0,0,0,0,0|0,0,2]=2 16 B9R1.38 CC1(SC(=O)NC1=O)C MCULE-6487661721 [0,0,0,0,0,0|0,1,2]=3 17 B9R1.38 CC1CC(=O)C(O1)(C)C MCULE-9055876569 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.38 CC1CC(=O)NC1(C)C MCULE-4801665077 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.38 CC1CC(=O)OC1(C)C MCULE-6169528498 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.38 CC1OC(=O)CC1(C)C MCULE-2629079906 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.38 [NH2+]=C1C=C(C(O1)(C)C)Br MCULE-1546788212 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.38 [NH2+]=C1C=C(C(O1)(C)C)Br MCULE-5774058055 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.38 [NH2+]=C1C=C(C(O1)(C)C)N MCULE-8927109152 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.18 CC1=C(N=C(S1)N)O MCULE-6644384383 [1,0,0,0,0,0|1,1,1]=4 25 B8R1.18 CC1=C(OC(=N1)Br)C MCULE-9112167282 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.18 CC1=C(OC(=N1)N)C MCULE-3252637238 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.18 CC1=C(OC(=N1)N)C MCULE-3438729874 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.18 CC1=C(OC(=N1)S)C MCULE-2507729996 [1,0,0,0,0,0|1,1,1]=4 29 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [1,0,0,0,0,0|1,0,2]=4 30 B8R1.18 CC1=C(OC(=O)O1)C MCULE-2205012091 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.18 CC1=CC(=O)C(O1)C MCULE-7165152063 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.18 CC1=NC(=C(O1)C)Br MCULE-1148845762 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.18 CC1=NC(=C(O1)C)C MCULE-7767552824 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.18 CC1=NC(OC1C)C MCULE-1601265239 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.18 CC1=NN(C(=N1)O)C MCULE-2744905561 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [1,0,0,0,0,0|1,0,2]=4 40 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [1,0,0,0,0,0|1,0,2]=4 46 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [1,0,0,0,0,0|1,0,2]=4 49 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [1,0,0,0,0,0|0,0,2]=3 51 B8R1.18 CC1OC(=O)OC1C MCULE-1302025126 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.18 CC1SC(=NC1=O)N MCULE-7605573631 [1,0,0,0,0,0|1,1,1]=4 53 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [1,0,0,0,0,0|0,1,2]=4 54 B8R1.18 CN1CC(=O)N=C1N MCULE-2231869894 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.18 CN1N=C(N=C1O)Br MCULE-7310607295 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.18 CN1OC(=O)C=C1N MCULE-3196224067 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [1,0,0,0,0,0|1,0,2]=4 58 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [1,0,0,0,0,0|1,0,2]=4 60 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [1,0,0,0,0,0|1,0,2]=4 65 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.18 O=C1C=C(C(O1)O)Cl MCULE-9764142144 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.18 O=C1CC(=C(O1)Br)O MCULE-8632709834 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.19 CC1(CC=CC1=O)C MCULE-5478168383 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.19 CC1(CCN=C1S)C MCULE-9605141691 [1,0,0,0,0,0|1,1,1]=4 71 B8R1.19 CC1(OC=CC1=O)C MCULE-4109921623 [1,0,0,0,0,0|1,0,1]=3 72 B8R1.19 CC1(OCCC1=O)C MCULE-3204846453 [1,0,0,0,0,0|1,0,2]=4 73 B8R1.51 C=C1COC(O1)(C)C MCULE-6956184576 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.51 CC1(C=CC(=O)C1)C MCULE-2691948275 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.51 CC1(CC(=NO1)Cl)C MCULE-8854255174 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.51 CC1(CC(=O)CN1)C MCULE-3002354818 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.51 CC1(CC(=O)CO1)C MCULE-3813236339 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.51 CC1(CC(=O)CS1)C MCULE-8119393989 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.51 CC1(CC(=O)NN1)C MCULE-3949987986 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.51 CC1(CC(=O)NO1)C MCULE-2107007864 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.51 CC1(CCC(=O)C1)C MCULE-9814375082 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.51 CC1(CCC(=O)N1)C MCULE-2538104334 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [1,0,0,0,0,0|1,0,1]=3 84 B8R1.51 CC1(CN=C(C1)N)C MCULE-2728105590 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.51 CC1(CN=C(C1)N)C MCULE-9014086278 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.51 CC1(CN=C(O1)N)C MCULE-6517199560 [1,0,0,0,0,0|1,0,1]=3 87 B8R1.51 CC1(CNC(=O)C1)C MCULE-1184902754 [1,0,0,0,0,0|1,0,2]=4 88 B8R1.51 CC1(CNC(=O)N1)C MCULE-2885809296 [1,0,0,0,0,0|1,0,2]=4 89 B8R1.51 CC1(CNC(=O)O1)C MCULE-9188826896 [1,0,0,0,0,0|0,0,2]=3 90 B8R1.51 CC1(COC(=O)C1)C MCULE-2810911497 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.51 CC1(COC(=O)N1)C MCULE-9709457440 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.51 CC1(N=NC(=O)N1)C MCULE-9521585830 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.51 CC1(NCC(=O)N1)C MCULE-4375597060 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.51 CC1(OCC(=O)O1)C MCULE-5121540413 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.271 CC1(NC(=O)N(C1=O)N)C MCULE-5997216429 [0,1,0,0,0,0|1,0,2]=4 96 B10R1.271 CC1=C(C(OC1=O)(C)O)C MCULE-1508842425 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.271 CN1C(=O)NC(C1=O)(C)C MCULE-3004657157 [0,1,0,0,0,0|1,0,2]=4 98 B10R1.271 CN1C(=O)OC(C1=O)(C)C MCULE-4761457520 [0,1,0,0,0,0|0,0,2]=3 99 B10R1.272 CC1(CC(=O)NC1(C)O)C MCULE-8493214039 [0,1,0,0,0,0|1,0,2]=4 100 B10R1.272 CC1(CC(=O)OC1(C)C)C MCULE-7577917570 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.272 CC1(OC(=O)OC1(C)C)C MCULE-3804416897 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.339 CC1(C(=O)NC(=O)N1Br)C MCULE-1979338916 [0,1,0,0,0,0|1,0,2]=4 103 B10R1.339 CC1C(=O)NC(=O)C1(C)C MCULE-3607989218 [0,1,0,0,0,0|1,0,2]=4 104 B10R1.339 CN1C(=O)NC(=O)C1(C)C MCULE-6233137342 [0,1,0,0,0,0|1,0,2]=4 105 B10R1.444 CC1(CC(=O)OC1CO)C MCULE-7833884937 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.444 CC1(NC(=O)CC1CO)C MCULE-4212657677 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.444 CC1(NC(=O)OC1CO)C MCULE-6093268572 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.444 CC1(OC(=O)CC1C#N)C MCULE-5939151357 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.475 C=C1OC(=O)OC1(C)CC MCULE-7115635798 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.475 CC1(NC(=O)NC1=O)CCl MCULE-4574202093 [0,1,0,0,0,0|1,0,2]=4 111 B10R1.475 CC1(NC(=O)NC1=O)CN MCULE-6192115785 [0,1,0,0,0,0|1,0,2]=4 112 B10R1.475 CC1(NC(=O)NC1=O)CN MCULE-6939222331 [0,1,0,0,0,0|1,0,2]=4 113 B10R1.475 CCC1(CC(=O)NC1=O)C MCULE-4034034545 [0,1,0,0,0,0|1,0,2]=4 114 B10R1.475 CCC1(CC(=O)OC1=O)C MCULE-4178533393 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.475 CCC1(NC(=O)NC1=O)C MCULE-2733724550 [0,1,0,0,0,0|1,0,2]=4 116 B10R1.475 CCC1(OC(=O)NC1=O)C MCULE-1221658185 [0,1,0,0,0,0|0,0,2]=3 117 B8R0.5 C/C=C/C(=O)OC(C)C MCULE-1616974622 [0,0,1,0,0,0|2,0,0]=3 118 B8R0.5 CC(C)NC(=O)CCO MCULE-2988622710 [0,0,1,0,0,0|2,0,1]=4 119 B8R0.5 CC(C)OC(=O)/C=C\I MCULE-9006559036 [0,0,1,0,0,0|2,0,0]=3 120 B8R0.5 CC(C)OC(=O)C=CI MCULE-8435174214 [0,0,1,0,0,0|2,0,0]=3 121 B8R0.5 CC(C)OC(=O)CC#N MCULE-7936509362 [0,0,1,0,0,0|2,0,1]=4 122 B8R0.5 CC(C)OC(=O)CCBr MCULE-2382797929 [0,0,1,0,0,0|2,0,1]=4 123 B8R0.5 CC(C)OC(=O)CCCl MCULE-7655932888 [0,0,1,0,0,0|2,0,1]=4 124 B8R0.5 CC(C)OC(=O)CCN MCULE-8590072190 [0,0,1,0,0,0|2,0,1]=4 125 B8R0.5 CC(C)OC(=O)CCS MCULE-6681403441 [0,0,1,0,0,0|1,1,1]=4 126 B8R0.5 CC(C)OC(=O)OCCl MCULE-6987085424 [0,0,1,0,0,0|2,0,1]=4 127 B8R0.5 CC(C)OC(=O)OCI MCULE-7199284723 [0,0,1,0,0,0|2,0,1]=4 128 B8R0.5 CC=CC(=O)OC(C)C MCULE-1964573167 [0,0,1,0,0,0|2,0,0]=3 129 B8R0.5 CCCC(=O)OC(C)C MCULE-1932528429 [0,0,1,0,0,0|2,0,1]=4 130 B8R0.5 COCC(=O)OC(C)C MCULE-3543304597 [0,0,1,0,0,0|3,0,0]=4 131 B8R0.12 C=CCC(C)(C)C(=O)O MCULE-7428318853 [0,0,1,0,0,0|3,0,0]=4 132 B8R0.12 CCOC(C)(C)C(=O)O MCULE-7344066576 [0,0,1,0,0,0|2,0,1]=4 133 B8R0.14 CC(C)(C)C(=O)CC=O MCULE-6190245383 [0,0,1,0,0,0|2,0,1]=4 134 B8R0.14 CC(C)(C)C(=O)N=C=O MCULE-4523801600 [0,0,1,0,0,0|1,0,2]=4 135 B8R0.23 CC(=CC(=O)O)C(C)C MCULE-3448393194 [0,0,1,0,0,0|2,0,0]=3 136 B8R0.23 CC(=O)CC(=O)C(C)C MCULE-9885161576 [0,0,1,0,0,0|2,0,1]=4 137 B8R0.23 CC(C)C(=CC(=O)N)N MCULE-8136000309 [0,0,1,0,0,0|3,0,0]=4 138 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,0,1,0,0,0|1,0,1]=3 139 B8R0.23 CC(C)C(=O)CC(=O)[O-] MCULE-3398588107 [0,0,1,0,0,0|1,0,2]=4 140 B8R0.23 CC(C)C(=O)NC(=O)N MCULE-6394527783 [0,0,1,0,0,0|1,0,2]=4 141 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,0,1,0,0,0|2,0,1]=4 142 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,0,1,0,0,0|2,0,1]=4 143 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,0,1,0,0,0|2,0,1]=4 144 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,0,1,0,0,0|2,0,1]=4 145 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,0,1,0,0,0|2,0,1]=4 146 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,0,1,0,0,0|1,0,1]=3 147 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [0,0,1,0,0,0|3,0,0]=4 148 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [0,0,1,0,0,0|3,0,0]=4 149 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,0,1,0,0,0|2,0,1]=4 150 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,0,1,0,0,0|2,0,1]=4 151 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,0,1,0,0,0|2,0,1]=4 152 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,0,1,0,0,0|2,0,1]=4 153 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,0,1,0,0,0|1,0,1]=3 154 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,0,1,0,0,0|2,0,1]=4 155 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,0,1,0,0,0|2,0,1]=4 156 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,0,1,0,0,0|2,0,1]=4 157 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,0,1,0,0,0|2,0,1]=4 158 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,0,1,0,0,0|2,0,1]=4 159 B8R0.34 C#CC(C)(C)OC(=O)C MCULE-1021904450 [0,0,1,0,0,0|2,0,1]=4 160 B8R0.34 C#CC(C)(C)OC(=O)N MCULE-9847890729 [0,0,1,0,0,0|1,0,2]=4 161 B8R0.34 C=CC(C)(C)CC(=O)O MCULE-5164134544 [0,0,1,0,0,0|3,0,0]=4 162 B8R0.34 CC(=O)NC(C)(C)CO MCULE-7854801131 [0,0,1,0,0,0|2,0,1]=4 163 B8R0.34 CC(=O)OC(C)(C)CO MCULE-6739454773 [0,0,1,0,0,0|1,0,1]=3 164 B8R0.34 CC(C)(CO)CC(=O)O MCULE-8595593482 [0,0,1,0,0,0|2,0,1]=4 165 B8R0.34 CC(C)(CO)CC(=O)[O-] MCULE-9214676521 [0,0,1,0,0,0|2,0,1]=4 166 B8R0.34 CCC(C)(C)OC(=O)C MCULE-9920396593 [0,0,1,0,0,0|2,0,1]=4 167 B10R2.44 O=C1NC(=O)C2(N1)CC2 MCULE-2358407463 [0,0,0,1,0,0|1,0,2]=4 168 B10R2.44 O=C1NC2(CC2)C(=O)O1 MCULE-1585189906 [0,0,0,1,0,0|2,0,1]=4 169 B10R2.296 C[C@]12C[C@H]1C(=O)NC2=O MCULE-7303203961 [0,0,0,1,0,0|1,0,2]=4 170 B10R1.63 CC1(CCC(=O)CC1=O)C MCULE-6286466892 [0,0,0,0,0,1|2,0,1]=4 171 B10R1.63 CC1(CCC(=O)NC1=O)C MCULE-9593344857 [0,0,0,0,0,1|1,0,2]=4 172 B10R1.63 CC1(CCC(=O)OC1=O)C MCULE-6269757190 [0,0,0,0,0,1|2,0,1]=4 173 B10R1.63 CC1(CNC(=O)NC1=O)C MCULE-3142901801 [0,0,0,0,0,1|1,0,2]=4 174 B10R1.63 CC1(SCC(=O)OC1=O)C MCULE-7965969761 [0,0,0,0,0,1|1,1,1]=4 175 B10R1.120 CC1(CC(=O)CCC1O)C MCULE-3406731798 [0,0,0,0,0,1|2,0,1]=4 176 B10R1.120 CC1(CC(=O)CNC1=O)C MCULE-4176455145 [0,0,0,0,0,1|1,0,2]=4 177 B10R1.120 CC1(NC(=O)CCC1=O)C MCULE-9175316958 [0,0,0,0,0,1|2,0,1]=4 178 B10R1.120 CC1(NC(=O)CCC1O)C MCULE-2400139362 [0,0,0,0,0,1|2,0,1]=4 179 B10R1.120 CC1=NNC(=O)OC1(C)C MCULE-6970258124 [0,0,0,0,0,1|1,0,0]=2 180 B10R1.329 CC1(C=C(CC(=S)N1)O)C MCULE-8282460525 [0,0,0,0,0,1|2,1,0]=4 181 B10R1.329 CC1(CC(=CC(=O)N1)N)C MCULE-5507056185 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.329 CC1(CC(=CC(=O)N1)O)C MCULE-4857414161 [0,0,0,0,0,1|2,0,0]=3 183 B10R1.329 CC1(CC(=O)C=C(C1)Cl)C MCULE-3214614711 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.329 CC1(CC(=O)C=C(C1)Cl)C MCULE-5004140628 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.329 CC1(CC(=O)C=C(C1)N)C MCULE-4783504703 [0,0,0,0,0,1|3,0,0]=4 186 B10R1.329 CC1(CC(=O)CC(=O)C1)C MCULE-7089250511 [0,0,0,0,0,1|2,0,1]=4 187 B10R1.329 CC1(CC(=O)CC(=O)N1)C MCULE-2163827196 [0,0,0,0,0,1|2,0,1]=4 188 B10R1.329 CC1(CC(=O)CC(=O)O1)C MCULE-1924006071 [0,0,0,0,0,1|1,0,1]=3 189 B10R1.329 CC1(CC(=O)CC(=O)S1)C MCULE-3161141847 [0,0,0,0,0,1|1,1,1]=4 190 B10R1.329 CC1(CC(=O)NC(=O)C1)C MCULE-3949417263 [0,0,0,0,0,1|1,0,2]=4 191 B10R1.329 CC1(CC(=O)OC(=O)C1)C MCULE-1747312582 [0,0,0,0,0,1|2,0,1]=4 192 B10R1.329 CC1(OC(=O)CC(=O)O1)C MCULE-4060287248 [0,0,0,0,0,1|1,0,1]=3 193 B10R1.329 CC1=CC(=O)CC(C1)(C)C MCULE-5564101474 [0,0,0,0,0,1|3,0,0]=4 194 B10R1.329 CC1=CC(=O)OC(O1)(C)C MCULE-8323747910 [0,0,0,0,0,1|2,0,0]=3 195 B10R1.329 CC1=CC(NC(=O)S1)(C)C MCULE-8285276140 [0,0,0,0,0,1|3,0,0]=4 196 B10R1.329 CC1=CC(SC(=N1)N)(C)C MCULE-5417678366 [0,0,0,0,0,1|2,1,0]=4 197 B10R1.329 CC1=CC(SC(=N1)N)(C)C MCULE-9276737856 [0,0,0,0,0,1|2,1,0]=4 198 B10R1.329 CC1=NC(=NC(C1)(C)C)S MCULE-9407905292 [0,0,0,0,0,1|2,1,0]=4 199 B7R0.2 C#CC(=O)OC(C)C MCULE-2260869211 [1,0,1,0,0,0|1,0,1]=4 200 B7R0.2 C/C(=N\O)/CC(C)C MCULE-1223937315 [1,0,1,0,0,0|2,0,0]=4 201 B7R0.2 C=CC(=O)CC(C)C MCULE-2912404970 [1,0,1,0,0,0|2,0,0]=4 202 B7R0.2 C=CC(=O)NC(C)C MCULE-1145721543 [1,0,1,0,0,0|2,0,0]=4 203 B7R0.2 C=CC(=O)OC(C)C MCULE-8852781082 [1,0,1,0,0,0|1,0,0]=3 204 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [1,0,1,0,0,0|2,0,0]=4 205 B7R0.2 CC(=NO)CC(C)C MCULE-1446840557 [1,0,1,0,0,0|2,0,0]=4 206 B7R0.2 CC(C)C/C(=N/O)/N MCULE-1815154611 [1,0,1,0,0,0|2,0,0]=4 207 B7R0.2 CC(C)NC(=O)CO MCULE-5386700783 [1,0,1,0,0,0|1,0,1]=4 208 B7R0.2 CC(C)OC(=O)CBr MCULE-1610339208 [1,0,1,0,0,0|1,0,1]=4 209 B7R0.2 CC(C)OC(=O)CCl MCULE-3017211046 [1,0,1,0,0,0|1,0,1]=4 210 B7R0.2 CC(C)OC(=O)CN MCULE-4475626262 [1,0,1,0,0,0|1,0,1]=4 211 B7R0.2 CC(C)OC(=O)CN MCULE-5696337645 [1,0,1,0,0,0|1,0,1]=4 212 B7R0.2 CC(C)OC(=O)CO MCULE-4694316703 [1,0,1,0,0,0|0,0,1]=3 213 B7R0.2 CC(C)OC(=O)CS MCULE-5298940210 [1,0,1,0,0,0|0,1,1]=4 214 B7R0.2 CC(C)OC(=O)NN MCULE-5311288998 [1,0,1,0,0,0|1,0,1]=4 215 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [1,0,1,0,0,0|2,0,0]=4 216 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,0,1,0,0,0|1,0,1]=4 217 B7R0.2 CCC(=O)OC(C)C MCULE-6546381101 [1,0,1,0,0,0|1,0,1]=4 218 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,0,1,0,0,0|1,0,1]=4 219 B7R0.2 COC(=O)OC(C)C MCULE-4462394604 [1,0,1,0,0,0|1,0,1]=4 220 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [1,0,1,0,0,0|2,0,0]=4 221 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [1,0,1,0,0,0|2,0,0]=4 222 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [1,0,1,0,0,0|2,0,0]=4 223 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [1,0,1,0,0,0|2,0,0]=4 224 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [1,0,1,0,0,0|1,0,0]=3 225 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [1,0,1,0,0,0|1,0,1]=4 226 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [1,0,1,0,0,0|2,0,0]=4 229 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [1,0,1,0,0,0|2,0,0]=4 230 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [1,0,1,0,0,0|2,0,0]=4 231 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [1,0,1,0,0,0|1,0,0]=3 232 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [1,0,1,0,0,0|1,0,1]=4 233 B7R0.7 CCOC(=O)C=NO MCULE-8888029932 [1,0,1,0,0,0|2,0,0]=4 234 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [1,0,1,0,0,0|1,0,1]=4 235 B7R0.7 CCOC(=O)CCO MCULE-3972081033 [1,0,1,0,0,0|1,0,1]=4 236 B7R0.7 CCOC(=O)N=C=O MCULE-6030513409 [1,0,1,0,0,0|0,0,2]=4 237 B7R0.7 CCOC(=O)N=C=S MCULE-1259119752 [1,0,1,0,0,0|0,1,1]=4 238 B7R0.7 CCOC(=O)N=S=O MCULE-2418866175 [1,0,1,0,0,0|1,0,1]=4 239 B7R0.7 CCOC(=O)NCO MCULE-1265242244 [1,0,1,0,0,0|0,0,2]=4 240 B7R0.7 CCOC(=O)[CH-]C=O MCULE-1944484299 [1,0,1,0,0,0|1,0,1]=4 241 B7R0.7 CCOC(=O)[CH-]C=O MCULE-5022028224 [1,0,1,0,0,0|1,0,1]=4 242 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [1,0,1,0,0,0|2,0,0]=4 243 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [1,0,1,0,0,0|2,0,0]=4 244 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [1,0,1,0,0,0|2,0,0]=4 245 B7R0.11 CC(C)(CO)NC=O MCULE-3904144073 [1,0,1,0,0,0|1,0,1]=4 246 B7R0.13 C=CC(C)(C)C(=O)O MCULE-4029204507 [1,0,1,0,0,0|2,0,0]=4 247 B7R0.13 CC(C)(ON)C(=O)O MCULE-3628409953 [1,0,1,0,0,0|2,0,0]=4 248 B7R0.13 CC(C)(ON)C(=O)O MCULE-4840137554 [1,0,1,0,0,0|2,0,0]=4 249 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [1,0,1,0,0,0|1,0,1]=4 250 B7R0.14 C/C(=N\O)/C(C)(C)O MCULE-4351772949 [1,0,1,0,0,0|1,0,1]=4 251 B7R0.14 C=C(C=O)C(C)(C)C MCULE-1459556575 [1,0,1,0,0,0|2,0,0]=4 252 B7R0.14 CC(=NO)C(C)(C)O MCULE-8500175274 [1,0,1,0,0,0|1,0,1]=4 253 B7R0.14 CC(C)(C)C(=O)C=O MCULE-6968249228 [1,0,1,0,0,0|1,0,1]=4 254 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [1,0,1,0,0,0|1,0,1]=4 255 B7R0.6 CC(=O)C=CC(C)C MCULE-7908862390 [1,0,1,0,0,0|2,0,0]=4 256 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [1,0,1,0,0,0|1,0,0]=3 257 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [1,0,1,0,0,0|1,0,1]=4 258 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [1,0,1,0,0,0|1,0,0]=3 259 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [1,0,1,0,0,0|1,0,1]=4 260 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,0,1,0,0,0|2,0,0]=4 261 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,0,1,0,0,0|2,0,0]=4 262 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [1,0,1,0,0,0|2,0,0]=4 263 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [1,0,1,0,0,0|2,0,0]=4 264 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [1,0,1,0,0,0|2,0,0]=4 265 B7R0.9 CC(=O)OC(C)(C)C MCULE-4713236745 [1,0,1,0,0,0|1,0,1]=4 266 B7R0.9 CC(C)(C)OC(=O)N MCULE-8089044173 [1,0,1,0,0,0|0,0,2]=4 267 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [1,0,1,0,0,0|2,0,0]=4 268 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [2,0,0,0,0,0|2,0,0]=4 269 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [2,0,0,0,0,0|1,0,1]=4 270 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [2,0,0,0,0,0|1,0,1]=4 271 B7R1.2 CC1=CN=C(O1)Br MCULE-3952379614 [2,0,0,0,0,0|1,0,1]=4 272 B7R1.2 CC1=CN=C(O1)C MCULE-8416988900 [2,0,0,0,0,0|1,0,1]=4 273 B7R1.2 CC1=CN=C(O1)Cl MCULE-1762464687 [2,0,0,0,0,0|1,0,1]=4 274 B7R1.2 CC1=CN=C(O1)Cl MCULE-3921580627 [2,0,0,0,0,0|1,0,1]=4 275 B7R1.2 CC1=CN=C(O1)I MCULE-4568617242 [2,0,0,0,0,0|1,0,1]=4 276 B7R1.2 CC1=CN=C(O1)N MCULE-5846833894 [2,0,0,0,0,0|1,0,1]=4 277 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [2,0,0,0,0,0|1,0,0]=3 278 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [2,0,0,0,0,0|1,0,1]=4 279 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [2,0,0,0,0,0|1,0,1]=4 280 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [2,0,0,0,0,0|1,0,1]=4 281 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [2,0,0,0,0,0|0,0,2]=4 282 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [2,0,0,0,0,0|1,0,1]=4 283 B7R1.2 CN1C=NC(=O)N1 MCULE-8089843600 [2,0,0,0,0,0|2,0,0]=4 284 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [2,0,0,0,0,0|1,0,1]=4 285 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [2,0,0,0,0,0|0,0,2]=4 286 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [2,0,0,0,0,0|0,0,2]=4 287 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [2,0,0,0,0,0|1,0,1]=4 288 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [2,0,0,0,0,0|1,0,1]=4 289 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [2,0,0,0,0,0|1,0,1]=4 290 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [2,0,0,0,0,0|1,0,1]=4 291 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [2,0,0,0,0,0|1,0,1]=4 292 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [2,0,0,0,0,0|1,0,1]=4 293 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [2,0,0,0,0,0|2,0,0]=4 294 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [2,0,0,0,0,0|2,0,0]=4 295 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [2,0,0,0,0,0|2,0,0]=4 296 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [2,0,0,0,0,0|1,0,0]=3 297 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [2,0,0,0,0,0|2,0,0]=4 298 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [2,0,0,0,0,0|2,0,0]=4 299 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [2,0,0,0,0,0|1,0,1]=4 300 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [2,0,0,0,0,0|1,0,1]=4 301 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [2,0,0,0,0,0|1,0,1]=4 302 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [2,0,0,0,0,0|1,0,1]=4 303 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [2,0,0,0,0,0|0,0,2]=4 304 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [2,0,0,0,0,0|0,0,2]=4 305 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [2,0,0,0,0,0|1,0,1]=4 306 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [2,0,0,0,0,0|1,0,1]=4 307 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [2,0,0,0,0,0|1,0,1]=4 308 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [2,0,0,0,0,0|1,0,1]=4 309 B7R1.4 CC1=C(N=CO1)Br MCULE-5720800030 [2,0,0,0,0,0|1,0,1]=4 310 B7R1.4 CC1=C(N=CO1)Br MCULE-6592849789 [2,0,0,0,0,0|1,0,1]=4 311 B7R1.4 CC1=C(OC=N1)C MCULE-6212214015 [2,0,0,0,0,0|1,0,1]=4 312 B7R1.14 CC1(CN=CN1)C MCULE-2151532658 [2,0,0,0,0,0|1,0,1]=4 313 B9R0.23 CC(C)OC(=O)C(N)CO MCULE-2781736410 [0,1,1,0,0,0|1,0,1]=4 314 B9R0.23 CC(C)OC(=O)C(N)CO MCULE-4622345140 [0,1,1,0,0,0|1,0,1]=4 315 B9R0.23 CC(C)OC(=O)C(N)CO MCULE-4826283891 [0,1,1,0,0,0|1,0,1]=4 316 B9R0.23 CC(C)OC(=O)C(N)CO MCULE-5240918239 [0,1,1,0,0,0|1,0,1]=4 317 B9R0.23 CC(C)OC(=O)[C@@H](N)CO MCULE-5227227570 [0,1,1,0,0,0|1,0,1]=4 318 B9R0.23 CC(C)OC(=O)[C@@H](N)CO MCULE-7047758737 [0,1,1,0,0,0|1,0,1]=4 319 B9R0.23 CC(C)OC(=O)[C@@H](N)CO MCULE-7476922526 [0,1,1,0,0,0|1,0,1]=4 320 B9R0.23 CC(C)OC(=O)[C@@H](N)CO MCULE-7582565140 [0,1,1,0,0,0|1,0,1]=4 321 B9R0.23 CC=C(C)C(=O)OC(C)C MCULE-9009554625 [0,1,1,0,0,0|2,0,0]=4 322 B9R0.34 C/C=C/C(=O)OC(C)CC MCULE-4075261572 [0,1,1,0,0,0|2,0,0]=4 323 B9R0.34 CC=CC(=O)OC(C)CC MCULE-8510889235 [0,1,1,0,0,0|2,0,0]=4 324 B9R0.44 C/C=C/C(=O)OC(C)(C)C MCULE-5091184372 [0,1,1,0,0,0|2,0,0]=4 325 B9R0.44 C=CCC(=O)OC(C)(C)C MCULE-1287635363 [0,1,1,0,0,0|2,0,0]=4 326 B9R0.44 C=CNC(=O)OC(C)(C)C MCULE-7267292879 [0,1,1,0,0,0|1,0,1]=4 327 B9R0.44 CC(C)(C)OC(=O)/C=C/Cl MCULE-2000341230 [0,1,1,0,0,0|2,0,0]=4 328 B9R0.44 CC(C)(C)OC(=O)/N=C\N MCULE-6125936428 [0,1,1,0,0,0|1,0,0]=3 329 B9R0.44 CC(C)(C)OC(=O)CC=O MCULE-1171052122 [0,1,1,0,0,0|1,0,1]=4 330 B9R0.44 CC(C)(C)OC(=O)CCO MCULE-7836894654 [0,1,1,0,0,0|1,0,1]=4 331 B9R0.44 CC(C)(C)OC(=O)N=N#N MCULE-7504073169 [0,1,1,0,0,0|2,0,0]=4 332 B9R0.44 CC(C)(C)OC(=O)NCO MCULE-6472739949 [0,1,1,0,0,0|0,0,2]=4 333 B9R0.44 CC=CC(=O)OC(C)(C)C MCULE-9875444543 [0,1,1,0,0,0|2,0,0]=4 334 B9R0.53 C/C(=C/C(=O)OC(C)C)/N MCULE-1934817751 [0,1,1,0,0,0|2,0,0]=4 335 B9R0.53 CC(=CC(=O)OC(C)C)N MCULE-9997336676 [0,1,1,0,0,0|2,0,0]=4 336 B9R0.53 CC(=O)CC(=O)OC(C)C MCULE-2753945806 [0,1,1,0,0,0|1,0,1]=4 337 B9R0.53 CC(C)NC(=O)CC(=O)O MCULE-6733291485 [0,1,1,0,0,0|2,0,0]=4 338 B9R0.53 CC(C)OC(=O)C=C(N)N MCULE-1485985455 [0,1,1,0,0,0|2,0,0]=4 339 B9R0.53 CC(C)OC(=O)CC(=O)O MCULE-9720330421 [0,1,1,0,0,0|1,0,0]=3 340 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [0,1,1,0,0,0|2,0,0]=4 341 B9R0.11 CC(=O)NC(C)(C)C(=O)O MCULE-7910205661 [0,1,1,0,0,0|2,0,0]=4 342 B9R0.11 CC(=O)OC(C)(C)C(=O)Br MCULE-1873853072 [0,1,1,0,0,0|1,0,1]=4 343 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl MCULE-8604882443 [0,1,1,0,0,0|1,0,1]=4 344 B9R0.11 CC(=O)OC(C)(C)C(=O)O MCULE-7786541244 [0,1,1,0,0,0|1,0,0]=3 345 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,1,1,0,0,0|2,0,0]=4 346 B9R0.11 CC(C)(NC(=O)N)C(=O)O MCULE-3780805662 [0,1,1,0,0,0|2,0,0]=4 347 B9R0.51 C=CCOC(C)(C)C(=O)O MCULE-5351990103 [0,1,1,0,0,0|2,0,0]=4 348 B9R0.60 COC(=O)C(C)(C)CC=O MCULE-4092182602 [0,1,1,0,0,0|2,0,0]=4 349 B9R0.42 COC(=O)C=C(N)C(C)C MCULE-5314685547 [0,1,1,0,0,0|2,0,0]=4 350 B9R0.42 COC(=O)CC(=O)C(C)C MCULE-6584323849 [0,1,1,0,0,0|1,0,1]=4 351 B9R0.42 COC(=O)CC(O)C(C)C MCULE-7794394603 [0,1,1,0,0,0|1,0,1]=4 352 B9R0.79 CC(C)C(O)C(N)C(=O)O MCULE-8766263714 [0,1,1,0,0,0|1,0,1]=4 353 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O MCULE-5332720895 [0,1,1,0,0,0|1,0,1]=4 354 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O MCULE-5667397461 [0,1,1,0,0,0|1,0,1]=4 355 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O MCULE-2425417830 [0,1,1,0,0,0|1,0,1]=4 356 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-5438285037 [0,1,1,0,0,0|1,0,1]=4 357 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-6278820254 [0,1,1,0,0,0|1,0,1]=4 358 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-7542741263 [0,1,1,0,0,0|1,0,1]=4 359 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-8101644962 [0,1,1,0,0,0|1,0,1]=4 360 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-6429723072 [0,1,1,0,0,0|1,0,1]=4 361 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-8455636907 [0,1,1,0,0,0|1,0,1]=4 362 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9657202987 [0,1,1,0,0,0|1,0,1]=4 363 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9762128000 [0,1,1,0,0,0|1,0,1]=4 364 B9R1.22 CC1=C(N=C(O1)Br)CO MCULE-7503596617 [1,1,0,0,0,0|1,0,1]=4 365 B9R1.22 CC1=C(N=C(O1)N)CO MCULE-2146671245 [1,1,0,0,0,0|1,0,1]=4 366 B9R1.22 CC1=C(OC(=O)O1)CO MCULE-9391603467 [1,1,0,0,0,0|1,0,1]=4 367 B9R1.22 CC1=NC(=C(O1)C)CO MCULE-1641835529 [1,1,0,0,0,0|1,0,1]=4 368 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [1,1,0,0,0,0|1,0,1]=4 369 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [1,1,0,0,0,0|1,0,1]=4 370 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [1,1,0,0,0,0|1,0,1]=4 371 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.23 CC1=C(OC(=N1)C=O)C MCULE-7910780894 [1,1,0,0,0,0|1,0,1]=4 373 B9R1.37 CC1=C(C(=O)OC1C)O MCULE-8685541679 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.37 CC1=C(C(OC1=O)C)C MCULE-1587463592 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.37 CC1=C(C(OC1=O)C)O MCULE-9804613276 [1,1,0,0,0,0|1,0,0]=3 376 B9R1.37 CC1OC(=O)C(=C1O)O MCULE-5304828877 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.37 CC1OC(=O)C(C1O)O MCULE-1862325809 [1,1,0,0,0,0|1,0,1]=4 378 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O MCULE-3554272195 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.125 CCC1(CCC(=O)O1)C MCULE-1533992852 [1,1,0,0,0,0|1,0,1]=4 380 B9R1.107 COC1CC(=O)C1(C)C MCULE-8233585132 [0,1,0,0,1,0|1,0,1]=4 381 B11R1.10 CCC1=CC(=O)OC(O1)(C)C MCULE-1615936283 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.1361 CC1(CC(=O)C(=C(C1)O)F)C MCULE-4682332689 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.1361 CC1(OC(=O)C(C(=O)O1)Br)C MCULE-1203596555 [0,1,0,0,0,1|1,0,1]=4 384 B11R1.1361 CC1=C(C(=O)OC(O1)(C)C)C MCULE-9658985282 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.1361 CC1C(=O)OC(OC1=O)(C)C MCULE-6456439568 [0,1,0,0,0,1|1,0,1]=4 386 B11R1.419 CC1=C(C(OC1=O)(C)CO)O MCULE-7737989964 [0,2,0,0,0,0|1,0,0]=3 387 B11R1.419 CC[C@@]1(OC(=O)N(C1=O)C)C MCULE-5441814919 [0,2,0,0,0,0|0,0,2]=4 388 B11R1.419 CC[C@@]1(OC(=O)N(C1=O)C)C MCULE-9664978042 [0,2,0,0,0,0|0,0,2]=4 389 B11R1.426 CC1=C(C(=O)OC1(C)C)C#N MCULE-7358687892 [0,2,0,0,0,0|2,0,0]=4 390 B11R1.1375 CC1(OC(=O)N(C1(C)O)N)C MCULE-9221932868 [0,2,0,0,0,0|0,0,2]=4 391 B11R1.489 CC1(OC(=O)CC1C(=O)O)C MCULE-8227422771 [0,2,0,0,0,0|1,0,1]=4 392 B11R1.1050 CCC1(OC(=O)NC1=O)CC MCULE-4330485756 [0,2,0,0,0,0|0,0,2]=4 393 B9R1.34 CC1CC(=CC(=O)O1)O MCULE-3566980219 [0,0,1,1,0,0|1,0,0]=3 394 B9R1.34 CC1CC(=O)CC(=O)O1 MCULE-8800349509 [0,0,1,1,0,0|1,0,1]=4 395 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,0,1,1,0,0|2,0,0]=4 396 B9R1.19 CC(C)(C)C1=NC=CO1 MCULE-9808052643 [0,0,1,1,0,0|2,0,0]=4 397 B9R1.19 CC(C)(O)C1=NC=CN1 MCULE-6441479820 [0,0,1,1,0,0|2,0,0]=4 398 B9R1.19 CC(C)(O)C1=NC=CS1 MCULE-6817074978 [0,0,1,1,0,0|1,1,0]=4 399 B9R1.35 CC(C)C1=COC(=N1)N MCULE-3869315049 [0,0,1,1,0,0|2,0,0]=4 400 B9R1.35 CC(C)C1=CSC(=N1)O MCULE-8471858673 [0,0,1,1,0,0|1,1,0]=4 401 B9R1.35 CC(C)C1=NC(=NO1)Br MCULE-3436909559 [0,0,1,1,0,0|2,0,0]=4 402 B9R1.35 CC(C)C1=NC(=NO1)Cl MCULE-1435976498 [0,0,1,1,0,0|2,0,0]=4 403 B9R1.35 CC(C)C1=NC(=NO1)N MCULE-9173688528 [0,0,1,1,0,0|2,0,0]=4 404 B9R1.35 CC(C)C1=NOC(=N1)Br MCULE-6475132389 [0,0,1,1,0,0|2,0,0]=4 405 B9R1.35 CC(C)C1=NOC(=N1)Cl MCULE-1152416163 [0,0,1,1,0,0|2,0,0]=4 406 B9R1.35 CC(C)C1=NOC(=N1)N MCULE-6368218371 [0,0,1,1,0,0|2,0,0]=4 407 B9R1.35 CC(C)C1=NOC(=N1)O MCULE-3988832670 [0,0,1,1,0,0|1,0,1]=4 408 B9R1.69 CC1CCC(=O)C=C1O MCULE-7850328397 [0,0,1,1,0,0|2,0,0]=4 409 B9R1.69 CC1CNC(=NC1=O)O MCULE-1498737305 [0,0,1,1,0,0|1,0,1]=4 410 B9R2.25 NC1=NC(=O)N2C1C2 MCULE-5660903088 [1,0,0,1,0,0|2,0,0]=4 411 B9R2.139 O=C1NCC2(O1)CC2 MCULE-6216048113 [1,0,0,1,0,0|0,0,2]=4 412 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,0,1,0,1,0|1,0,0]=3 413 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,0,1,0,1,0|1,0,1]=4 414 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,0,1,0,1,0|1,0,1]=4 415 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,0,1,0,1,0|1,0,1]=4 416 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,0,1,0,1,0|1,0,1]=4 417 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,0,1,0,1,0|1,0,1]=4 418 B7R0.16 CC(C)C(=O)C(=O)Cl MCULE-6254092186 [0,0,1,0,1,0|1,0,1]=4 419 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,0,1,0,1,0|0,0,1]=3 420 B7R0.16 CC(C)C(=O)C(=O)[O-] MCULE-3960241746 [0,0,1,0,1,0|0,0,2]=4 421 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,0,1,0,1,0|1,0,1]=4 422 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,0,1,0,1,0|1,0,1]=4 423 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,0,1,0,1,0|1,0,1]=4 424 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,0,1,0,1,0|1,0,1]=4 425 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,0,1,0,1,0|1,0,1]=4 426 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,0,1,0,1,0|1,0,1]=4 427 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,0,1,0,1,0|1,0,1]=4 428 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,0,1,0,1,0|0,0,1]=3 429 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,0,1,0,1,0|0,0,1]=3 430 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,0,1,0,1,0|1,0,1]=4 431 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,0,1,0,1,0|1,0,1]=4 432 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,0,1,0,1,0|1,0,1]=4 433 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,0,1,0,1,0|1,0,1]=4 434 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,0,1,0,1,0|0,0,1]=3 435 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,0,1,0,1,0|0,0,1]=3 436 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,0,1,0,1,0|1,0,1]=4 437 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,0,1,0,1,0|1,0,1]=4 438 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,0,1,0,1,0|1,0,1]=4 439 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,0,1,0,1,0|1,0,1]=4 440 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,0,1,0,1,0|1,0,1]=4 441 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,0,1,0,1,0|1,0,1]=4 442 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,0,1,0,1,0|1,0,1]=4 443 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,0,1,0,1,0|1,0,1]=4 444 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,0,1,0,1,0|0,0,1]=3 445 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,0,1,0,1,0|0,0,1]=3 446 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,0,1,0,1,0|1,0,1]=4 447 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,0,1,0,1,0|1,0,1]=4 448 B7R0.16 CN(C)C(=O)C(=O)O MCULE-4063274840 [0,0,1,0,1,0|1,0,1]=4 449 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,0,1,0,1,0|1,0,1]=4 450 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,0,1,0,1,0|1,0,1]=4 451 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,0,1,0,1,0|1,0,1]=4 452 B7R1.17 CC1(OCC1=O)C MCULE-5758313494 [1,0,0,0,1,0|0,0,2]=4 453 B7R1.17 CC1(OCC1O)C MCULE-4679216060 [1,0,0,0,1,0|0,0,2]=4 454 B7R1.16 CC1(CC(=O)C1)C MCULE-4306266527 [1,0,0,0,1,0|1,0,1]=4 455 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [1,0,0,0,1,0|1,0,1]=4 456 B9R0.48 C/C=C/C(=O)OCC(C)C MCULE-6211668597 [0,0,1,0,0,1|2,0,0]=4 457 B9R0.48 CC=CC(=O)OCC(C)C MCULE-2893126753 [0,0,1,0,0,1|2,0,0]=4 458 B9R0.7 CC(=O)NN=C(C)C(C)C MCULE-5842325933 [0,0,1,0,0,1|2,0,0]=4 459 B9R0.7 CC(C)C(=O)CCC(=O)O MCULE-9072643820 [0,0,1,0,0,1|1,0,1]=4 460 B9R0.7 CC(C)C(=O)NCC(=O)O MCULE-8263786936 [0,0,1,0,0,1|0,0,2]=4 461 B9R0.64 CC(C)(CO)COC(=O)N MCULE-1642548295 [0,0,1,0,0,1|0,0,2]=4 462 B9R1.10 CC1(C=CC(=O)CC1)C MCULE-5124770449 [1,0,0,0,0,1|2,0,0]=4 463 B9R1.10 CC1(CNC(=O)CO1)C MCULE-8027766035 [1,0,0,0,0,1|0,0,2]=4 464 B9R1.10 CC1(COC(=O)OC1)C MCULE-7387597557 [1,0,0,0,0,1|1,0,1]=4 465 B9R1.10 CC1(OCC(=O)CO1)C MCULE-4531040287 [1,0,0,0,0,1|2,0,0]=4