0 B10R1.66 CC(=O)/C=C/C1=CC=CO1 MCULE-7175927536 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.66 CC(=O)/C=C/C1=CC=CS1 MCULE-9668699729 [0,0,0,0,0,0|1,1,1]=3 2 B10R1.66 CC(=O)/C=C/C1=CSC=C1 MCULE-9067564306 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.66 CC(=O)C=CC1=CC=CO1 MCULE-9905851815 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.66 CC(=O)C=CC1=CC=CS1 MCULE-4792487998 [0,0,0,0,0,0|1,1,1]=3 5 B10R1.66 CC(=O)C=CC1=CSC=C1 MCULE-4852101760 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.66 CC(=O)CCC1=CC=CO1 MCULE-2101099047 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.66 CC(=O)CCC1=CSC=C1 MCULE-1818012086 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.66 CC(=O)CCC1=NC=CS1 MCULE-2524666506 [0,0,0,0,0,0|2,1,0]=3 9 B10R1.66 CC(=O)CCN1C=CC=N1 MCULE-7966519689 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.66 CC(=O)CCN1C=NC=N1 MCULE-7735668562 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.66 CC(=O)CSC1=CC=CS1 MCULE-1447269840 [0,0,0,0,0,0|2,1,0]=3 12 B10R1.66 CC(=O)NCC1=CC=CO1 MCULE-3515662037 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.66 CC(=O)NCC1=CC=CS1 MCULE-9977095360 [0,0,0,0,0,0|1,1,0]=2 14 B10R1.66 CC(=O)NCC1=NC=CN1 MCULE-2002294602 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.66 CC(=O)OC=C1C=CC=C1 MCULE-9595415944 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.66 CC(=O)OCC1=CC=CO1 MCULE-8997160416 [0,0,0,0,0,0|0,0,0]=0 17 B10R1.66 CC(=O)OCC1CCCO1 MCULE-7611136571 [0,0,0,0,0,0|0,0,4]=4 18 B10R1.66 CC(=O)SCC1=CC=CO1 MCULE-2013313658 [0,0,0,0,0,0|0,1,0]=1 19 B10R1.66 CC(=S)OCC1=CC=CO1 MCULE-2183015390 [0,0,0,0,0,0|0,1,0]=1 20 B10R1.66 CC(C)NCC1=CC=CO1 MCULE-4621751494 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.66 CC(C)NCC1=CC=CO1 MCULE-7799547841 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.66 CC(C)NCC1=CC=CS1 MCULE-2189893202 [0,0,0,0,0,0|2,1,1]=4 23 B10R1.66 CC(C)NCC1=CC=CS1 MCULE-4728520722 [0,0,0,0,0,0|2,1,1]=4 24 B10R1.66 CC(C)SCC1=CC=CO1 MCULE-4070824510 [0,0,0,0,0,0|1,1,1]=3 25 B10R1.66 CC(N)CCC1=CC=CO1 MCULE-6992838263 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.66 CC(N)CCC1=CC=CS1 MCULE-9948064307 [0,0,0,0,0,0|2,1,1]=4 27 B10R1.66 CN(C)/N=C/C1=CC=CO1 MCULE-9853274822 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.66 CN(C)N=CC1=CC=CO1 MCULE-7082620550 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.66 N=C(N)CCC1=CC=CO1 MCULE-4674401212 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.66 N=C(N)CCC1=CC=CO1 MCULE-8321587302 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.66 N=C(N)NCC1=CC=CO1 MCULE-1941139641 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.66 N=C(N)NCC1=CC=CO1 MCULE-9950183827 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.66 N=C(N)SCC1=CC=CS1 MCULE-6003432020 [0,0,0,0,0,0|2,2,0]=4 34 B10R1.66 N=C(N)SCC1=CC=CS1 MCULE-9109938865 [0,0,0,0,0,0|2,2,0]=4 35 B10R1.66 NC(=O)/C=C/C1=CC=CS1 MCULE-2550089532 [0,0,0,0,0,0|2,1,1]=4 36 B10R1.66 NC(=O)C=CC1=CC=CO1 MCULE-3308563945 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.66 NC(=O)C=CC1=CC=CS1 MCULE-4715280412 [0,0,0,0,0,0|2,1,1]=4 38 B10R1.66 NC(=O)CCN1C=CC=N1 MCULE-1939400196 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.66 NC(=O)NCC1=CC=CO1 MCULE-8058725801 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.66 NC(=O)NCC1=CC=CS1 MCULE-1971855222 [0,0,0,0,0,0|2,1,0]=3 41 B10R1.66 NC(=O)NCC1=NC=CS1 MCULE-3816919635 [0,0,0,0,0,0|3,1,0]=4 42 B10R1.66 NC(=S)NCC1=CC=CO1 MCULE-3624712939 [0,0,0,0,0,0|2,1,0]=3 43 B10R1.66 NC(=S)NCC1=CC=CS1 MCULE-7007297451 [0,0,0,0,0,0|2,2,0]=4 44 B10R1.66 O=C(Cl)/C=C/C1=CC=CO1 MCULE-3961989188 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.66 O=C(Cl)/C=C/C1=CC=CS1 MCULE-4325709525 [0,0,0,0,0,0|2,1,1]=4 46 B10R1.66 O=C(Cl)C=CC1=CC=CO1 MCULE-9192017514 [0,0,0,0,0,0|2,0,1]=3 47 B10R1.66 O=C(Cl)C=CC1=CC=CS1 MCULE-4244086123 [0,0,0,0,0,0|2,1,1]=4 48 B10R1.66 O=C(Cl)CCC1=CC=CS1 MCULE-7371256050 [0,0,0,0,0,0|2,1,0]=3 49 B10R1.66 O=C(O)/C=C/C1=CC=CO1 MCULE-1000282553 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.66 O=C(O)/C=C/C1=CC=CS1 MCULE-7724588931 [0,0,0,0,0,0|2,1,1]=4 51 B10R1.66 O=C(O)C#CC1=CC=CO1 MCULE-9618528259 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.66 O=C(O)C#CC1=CC=CS1 MCULE-6435823452 [0,0,0,0,0,0|2,1,1]=4 53 B10R1.66 O=C(O)C=CC1=CC=CN1 MCULE-5460570885 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.66 O=C(O)C=CC1=CC=CO1 MCULE-8349779970 [0,0,0,0,0,0|2,0,1]=3 55 B10R1.66 O=C(O)C=CC1=CC=CS1 MCULE-8401835373 [0,0,0,0,0,0|2,1,1]=4 56 B10R1.66 O=C(O)CCC1=CC=CN1 MCULE-8495580718 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.66 O=C(O)CCC1=CC=CO1 MCULE-3535606082 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.66 O=C(O)CCC1=CC=CS1 MCULE-3548538547 [0,0,0,0,0,0|2,1,0]=3 59 B10R1.66 O=C(O)CCC1=CC=NO1 MCULE-2698728972 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.66 O=C(O)CCC1=CN=CS1 MCULE-2668820713 [0,0,0,0,0,0|3,1,0]=4 61 B10R1.66 O=C(O)CCC1=CN=CS1 MCULE-7272215073 [0,0,0,0,0,0|3,1,0]=4 62 B10R1.66 O=C(O)CCC1=CNC=C1 MCULE-9116858435 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.66 O=C(O)CCC1=CNC=N1 MCULE-3618491840 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.66 O=C(O)CCC1=CNC=N1 MCULE-8133590347 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.66 O=C(O)CCC1=COC=C1 MCULE-6225332803 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.66 O=C(O)CCC1=CSC=C1 MCULE-5919306548 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.66 O=C(O)CCC1=CSC=N1 MCULE-3188158342 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.66 O=C(O)CCC1=NC=CN1 MCULE-8831721107 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.66 O=C(O)CCC1=NC=CN1 MCULE-8898977198 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.66 O=C(O)CCC1=NC=CO1 MCULE-8621379865 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.66 O=C(O)CCC1=NC=CS1 MCULE-2473180013 [0,0,0,0,0,0|3,1,0]=4 72 B10R1.66 O=C(O)CCC1=NOC=C1 MCULE-7542127444 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.66 O=C(O)CCN1C=CC=C1 MCULE-8640172862 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.66 O=C(O)CCN1C=CC=N1 MCULE-3245420562 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.66 O=C(O)CCN1C=CC=N1 MCULE-7345461411 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.66 O=C(O)CSC1=CC=CS1 MCULE-4950567579 [0,0,0,0,0,0|3,1,0]=4 77 B10R1.66 O=N(=O)/C=C/C1=CC=CO1 MCULE-3251448880 [0,0,0,0,0,0|3,0,1]=4 78 B10R1.66 O=N(=O)CCC1=CC=CO1 MCULE-6179704930 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.66 O=P([O-])CCC1=CC=CO1 MCULE-6900012549 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.66 O=P([O-])CCC1=CC=CO1 MCULE-7798677915 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 MCULE-8162497904 [0,0,0,0,0,0|3,0,1]=4 82 B10R1.66 S=C(S)NCC1=CC=CO1 MCULE-7461708117 [0,0,0,0,0,0|2,1,0]=3 83 B10R1.66 S=C(S)NCC1=CC=CS1 MCULE-4526324543 [0,0,0,0,0,0|2,2,0]=4 84 B10R1.66 [NH2+]=C(N)NCC1=CC=CO1 MCULE-3349084765 [0,0,0,0,0,0|3,0,0]=3 85 B9R1.12 BrCCCC1=CC=CO1 MCULE-9152239637 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.12 CCCCC1=CC=CO1 MCULE-3071851671 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.12 CCCCC1=CC=CS1 MCULE-6497067465 [1,0,0,0,0,0|1,1,1]=4 88 B9R1.12 CCNCC1=CC=CO1 MCULE-7506170762 [1,0,0,0,0,0|1,0,1]=3 89 B9R1.12 CCNCC1=CC=CO1 MCULE-8195982909 [1,0,0,0,0,0|1,0,1]=3 90 B9R1.12 CCNCC1=CC=CS1 MCULE-3457295264 [1,0,0,0,0,0|1,1,1]=4 91 B9R1.12 CCNCC1=CC=CS1 MCULE-7815284555 [1,0,0,0,0,0|1,1,1]=4 92 B9R1.12 CCOCC1=CC=CO1 MCULE-8494437339 [1,0,0,0,0,0|0,0,1]=2 93 B9R1.12 CCOCC1=NC=CN1 MCULE-8234323633 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.12 CNCCC1=CC=CS1 MCULE-3255812275 [1,0,0,0,0,0|2,1,0]=4 95 B9R1.12 CNCCC1=CC=CS1 MCULE-7158889063 [1,0,0,0,0,0|2,1,0]=4 96 B9R1.12 CSSCC1=CC=CO1 MCULE-1102467891 [1,0,0,0,0,0|1,1,0]=3 97 B9R1.12 N#CCCC1=CC=CO1 MCULE-5747416792 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.12 NCCCC1=CC=CO1 MCULE-4394623871 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.12 NCCCC1=CC=CO1 MCULE-5358450816 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.12 NCCCC1=CC=CO1 MCULE-8968283783 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.12 O=C/C=C/C1=CC=CO1 MCULE-8071861971 [1,0,0,0,0,0|1,0,1]=3 102 B9R1.12 O=C=NCC1=CC=CO1 MCULE-4576932798 [1,0,0,0,0,0|1,0,1]=3 103 B9R1.12 O=C=NCC1=CC=CS1 MCULE-8982331264 [1,0,0,0,0,0|1,1,1]=4 104 B9R1.12 O=CC=CC1=CC=CN1 MCULE-2469885992 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.12 O=CC=CC1=CC=CO1 MCULE-1727102658 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.12 O=CCCC1=CSC=C1 MCULE-6196067591 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.12 O=CCCN1C=CC=N1 MCULE-4967326734 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.12 O=CNCC1=CC=CO1 MCULE-1492066833 [1,0,0,0,0,0|1,0,0]=2 109 B9R1.12 OCCCC1=CC=CO1 MCULE-9519443667 [1,0,0,0,0,0|1,0,2]=4 110 B9R1.12 S=C=NCC1=CC=CO1 MCULE-6224898724 [1,0,0,0,0,0|1,1,1]=4 111 B11R1.25 C=CC(=O)NCC1=CC=CO1 MCULE-5561657367 [0,1,0,0,0,0|1,0,1]=3 112 B11R1.25 CCC(=O)NCC1=CC=CO1 MCULE-2079627857 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.25 CCC(=O)NCC1=CC=CS1 MCULE-1610876111 [0,1,0,0,0,0|1,1,0]=3 114 B11R1.25 CCC(=O)OCC1=CC=CO1 MCULE-9103529082 [0,1,0,0,0,0|0,0,0]=1 115 B11R1.25 CCC(=O)SCC1=CC=CO1 MCULE-3385976920 [0,1,0,0,0,0|0,1,0]=2 116 B11R1.25 CCC(=S)OCC1=CC=CO1 MCULE-1045130761 [0,1,0,0,0,0|0,1,0]=2 117 B11R1.25 CCC(C)NCC1=CC=CO1 MCULE-6268534161 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.25 CCC(C)NCC1=CC=CO1 MCULE-8401179239 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.25 CNC(=O)NCC1=CC=CS1 MCULE-1125755388 [0,1,0,0,0,0|1,1,0]=3 120 B11R1.25 CNC(=S)NCC1=CC=CO1 MCULE-7571062094 [0,1,0,0,0,0|1,1,0]=3 121 B11R1.25 CNC(C)CCC1=CC=CO1 MCULE-8226687460 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.25 COC(=O)/C=C/C1=CC=CN1 MCULE-7480502311 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.25 COC(=O)/C=C/C1=CC=CS1 MCULE-5564124883 [0,1,0,0,0,0|1,1,1]=4 124 B11R1.25 COC(=O)C#CC1=CC=CS1 MCULE-9094321397 [0,1,0,0,0,0|1,1,1]=4 125 B11R1.25 COC(=O)C=CC1=CC=CN1 MCULE-2983330933 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.25 COC(=O)C=CC1=CC=CS1 MCULE-8316070904 [0,1,0,0,0,0|1,1,1]=4 127 B11R1.25 COC(=O)CCC1=CC=CN1 MCULE-3378177183 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.25 COC(=O)CCC1=CC=CS1 MCULE-2290836142 [0,1,0,0,0,0|1,1,0]=3 129 B11R1.25 COC(=O)CCC1=CNC=N1 MCULE-4772939579 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.25 COC(=O)CCC1=CNC=N1 MCULE-6123767498 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.25 COC(=O)CCC1=CSC=C1 MCULE-3462905030 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.25 COC(=O)CCN1C=CC=N1 MCULE-3487586495 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.25 CSC(=N)NCC1=CC=CO1 MCULE-1222298418 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.25 CSC(=N)NCC1=CC=CO1 MCULE-2766058747 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.25 CSC(=S)NCC1=CC=CS1 MCULE-5167636129 [0,1,0,0,0,0|1,2,0]=4 136 B11R1.25 NCC(=O)NCC1=CC=CO1 MCULE-9302287426 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.25 NCC(=O)NCC1=CC=CO1 MCULE-9829892705 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.25 NCC(=O)NCC1=CN=CS1 MCULE-8399019455 [0,1,0,0,0,0|2,1,0]=4 139 B11R1.25 NCC(=O)NCC1=CSC=C1 MCULE-7546342574 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.25 NNC(=O)CCC1=CC=CO1 MCULE-2610803816 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.25 NNC(=O)NCC1=CC=CO1 MCULE-4009812439 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.25 NNC(=S)NCC1=CC=CO1 MCULE-1446926418 [0,1,0,0,0,0|2,1,0]=4 143 B11R1.25 O=C(CBr)NCC1=CC=CO1 MCULE-1808192006 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.25 O=C(CBr)NCC1=CC=CS1 MCULE-3638675359 [0,1,0,0,0,0|1,1,0]=3 145 B11R1.25 O=C(CCl)NCC1=CC=CO1 MCULE-5793211356 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.25 O=C(CCl)NCC1=CC=CS1 MCULE-8042041374 [0,1,0,0,0,0|1,1,0]=3 147 B11R1.25 O=C(CCl)NCC1=CN=CS1 MCULE-8251325781 [0,1,0,0,0,0|2,1,0]=4 148 B11R1.25 O=C(CCl)NCC1=CSC=C1 MCULE-7859939466 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.35 CC(=CC1=CC=CO1)C(=O)O MCULE-2925151764 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.35 CC(=O)C(N)CC1=CN=CN1 MCULE-6260192166 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.35 CC(=O)C(N)CC1=CN=CN1 MCULE-9245260061 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.35 CC(CC1=CC=CN1)C(=O)O MCULE-7927079223 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.35 CC(CC1=CC=CO1)C(=O)O MCULE-4967866488 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.35 CC(CC1=CC=CS1)C(=O)O MCULE-1903423673 [0,1,0,0,0,0|2,1,0]=4 155 B11R1.35 C[C@H](NC1=CC=CO1)C(=O)O MCULE-9956836124 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.35 NC(CC1=CC=CN1)C(=O)O MCULE-2621735129 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.35 NC(CC1=CC=CO1)C(=O)O MCULE-2615027072 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.35 NC(CC1=CC=CO1)C(=O)O MCULE-5961212744 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.35 NC(CC1=CC=CS1)C(=O)O MCULE-3785172886 [0,1,0,0,0,0|2,1,0]=4 160 B11R1.35 NC(CC1=CC=CS1)C(=O)O MCULE-8923550765 [0,1,0,0,0,0|2,1,0]=4 161 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-2369724288 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-5803182238 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-5920888333 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O MCULE-9717464601 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O MCULE-3425714606 [0,1,0,0,0,0|2,1,0]=4 166 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O MCULE-7666246740 [0,1,0,0,0,0|2,1,0]=4 167 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O MCULE-8908733986 [0,1,0,0,0,0|2,1,0]=4 168 B11R1.35 N[C@H](CC1=CC=CN1)C(=O)O MCULE-8757725265 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O MCULE-2460207628 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O MCULE-6984530934 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O MCULE-6753547229 [0,1,0,0,0,0|2,1,0]=4 172 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O MCULE-9975284076 [0,1,0,0,0,0|2,1,0]=4 173 B11R1.35 O=C(O)C(=CC1=CC=CO1)S MCULE-7963054894 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 MCULE-8806340356 [0,1,0,0,0,0|2,1,0]=4 175 B11R1.35 O=C(O)C(O)CC1=CC=CS1 MCULE-5295998672 [0,1,0,0,0,0|2,1,0]=4 176 B11R1.75 CC(=O)C=CC1=CC=C(O1)C MCULE-7777353808 [0,1,0,0,0,0|1,0,1]=3 177 B11R1.75 CC(=O)CCC1=CC=C(S1)Cl MCULE-1642922072 [0,1,0,0,0,0|1,1,0]=3 178 B11R1.75 CC(=O)OCC1=CC(=NO1)C MCULE-3999429125 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.75 CC(=O)OCC1=CN=C(S1)Cl MCULE-5102256977 [0,1,0,0,0,0|1,1,0]=3 180 B11R1.75 CC(=O)OCC1=NC(=NO1)C MCULE-6306184865 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.75 CC(=O)SCC1=CC(=CS1)Br MCULE-6460082219 [0,1,0,0,0,0|0,2,0]=3 182 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)Cl MCULE-3498227305 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)O MCULE-7844851375 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.75 CC1=CC=C(O1)C=CC(=O)Cl MCULE-6694263292 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.75 CC1=CC=C(O1)C=CC(=O)N MCULE-4747615229 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.75 CC1=CC=C(O1)C=CC(=O)O MCULE-2923544664 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.75 CC1=CC=C(O1)CCC(=O)N MCULE-3566354504 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.75 CC1=CC=C(O1)CCC(=O)O MCULE-6067365329 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.75 CC1=CC=C(O1)CCC(C)N MCULE-9824273461 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.75 CC1=CC=C(O1)CNC(=N)N MCULE-5500504056 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.75 CC1=CC=C(O1)CNC(=N)N MCULE-8817441575 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.75 CC1=CC=C(O1)CNC(C)C MCULE-1530733106 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.75 CC1=CC=C(O1)CNC(C)C MCULE-8235691085 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.75 CC1=CC=C(S1)CCC(=O)O MCULE-1322543612 [0,1,0,0,0,0|2,1,0]=4 195 B11R1.75 CC1=CN=C(O1)CCC(=O)O MCULE-2444599746 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.75 CC1=CSC(=C1)CCC(=O)O MCULE-9487444949 [0,1,0,0,0,0|2,1,0]=4 197 B11R1.75 CC1=NOC(=C1)CCC(=O)O MCULE-6454692713 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.75 NC(=O)CCC1=CC(=NO1)Br MCULE-2292719031 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.75 NC(=O)CCC1=CC(=NO1)Cl MCULE-4467988243 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.75 O=C(O)/C=C/C1=CC=C(O1)Br MCULE-4754694343 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.75 O=C(O)C=CC1=CC=C(O1)Br MCULE-4405271455 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.75 O=C(O)C=CC1=CC=C(O1)I MCULE-6994174349 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.75 O=C(O)CCC1=CC(=CS1)Br MCULE-2009432961 [0,1,0,0,0,0|2,1,0]=4 204 B11R1.75 O=C(O)CCC1=CC(=CS1)Cl MCULE-3702716997 [0,1,0,0,0,0|2,1,0]=4 205 B11R1.75 O=C(O)CCC1=CC(=NO1)Br MCULE-2306740292 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.75 O=C(O)CCC1=CC(=NO1)Cl MCULE-8953796559 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.75 O=C(O)CCC1=CC(=O)NO1 MCULE-1230469268 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.75 O=C(O)CCC1=CC=C(S1)Br MCULE-1504750189 [0,1,0,0,0,0|2,1,0]=4 209 B11R1.75 O=C(O)CCC1=CC=C(S1)Cl MCULE-8046412357 [0,1,0,0,0,0|2,1,0]=4 210 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CN1 MCULE-3977725638 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CN1 MCULE-8415770095 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CO1 MCULE-2477733116 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CO1 MCULE-3102221936 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CS1 MCULE-1300695825 [0,1,0,0,0,0|2,1,0]=4 215 B11R1.77 C=C(C)C[C@@H](N)C1=CC=CS1 MCULE-1669893695 [0,1,0,0,0,0|2,1,0]=4 216 B11R1.77 C=C(C)C[C@H](N)C1=CC=CN1 MCULE-5204388114 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.77 C=C(C)C[C@H](N)C1=CC=CN1 MCULE-8240197852 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.77 C=C(C)C[C@H](N)C1=CC=CO1 MCULE-4349563841 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.77 C=C(C)C[C@H](N)C1=CC=CO1 MCULE-7824068427 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.77 C=C(C)C[C@H](N)C1=CC=CS1 MCULE-1807659264 [0,1,0,0,0,0|2,1,0]=4 221 B11R1.77 C=C(C)C[C@H](N)C1=CC=CS1 MCULE-5600084582 [0,1,0,0,0,0|2,1,0]=4 222 B11R1.77 CC(=CC(=O)O)C1=CC=CO1 MCULE-2254303624 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 MCULE-1620092656 [0,1,0,0,0,0|1,0,1]=3 224 B11R1.77 CC(=O)CC(=O)C1=CC=CS1 MCULE-3430263061 [0,1,0,0,0,0|1,1,1]=4 225 B11R1.77 CC(=O)OC(=C1C=CC=C1)C MCULE-5146801070 [0,1,0,0,0,0|1,0,1]=3 226 B11R1.77 CC(C)C[C@@H](N)C1=CC=CO1 MCULE-1837868634 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.77 CC(C)C[C@@H](N)C1=CC=CO1 MCULE-8267402033 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.77 CC(C)C[C@H](N)C1=CC=CO1 MCULE-2353178225 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.77 CC(C)C[C@H](N)C1=CC=CO1 MCULE-3552674997 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.77 CC(C)OC(=O)C1=CC=CO1 MCULE-1049013715 [0,1,0,0,0,0|1,0,2]=4 231 B11R1.77 CC(CC(=O)O)C1=CC=CO1 MCULE-1929187509 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.77 CC(CC(=O)O)C1=CC=CS1 MCULE-4589142714 [0,1,0,0,0,0|2,1,0]=4 233 B11R1.77 CC(N)CC(O)C1=CC=CO1 MCULE-3388114725 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.77 NC(CC(=O)O)C1=CC=CO1 MCULE-4837417792 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.77 NC(CC(=O)O)C1=CC=CO1 MCULE-4958340543 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.77 NC(CC(=O)O)C1=CC=CS1 MCULE-4310408967 [0,1,0,0,0,0|2,1,0]=4 237 B11R1.77 NC(CC(=O)O)C1=CC=CS1 MCULE-4515895911 [0,1,0,0,0,0|2,1,0]=4 238 B11R1.77 NC(CC(=O)O)C1=CC=CS1 MCULE-8010171040 [0,1,0,0,0,0|2,1,0]=4 239 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 MCULE-3487071362 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 MCULE-6738812017 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 MCULE-6817919574 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 MCULE-5396701536 [0,1,0,0,0,0|2,1,0]=4 243 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 MCULE-6166848611 [0,1,0,0,0,0|2,1,0]=4 244 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 MCULE-7980073440 [0,1,0,0,0,0|2,1,0]=4 245 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 MCULE-9153700407 [0,1,0,0,0,0|2,1,0]=4 246 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 MCULE-1644247813 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 MCULE-3339059246 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 MCULE-9235419752 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 MCULE-9295639672 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.77 N[C@H](CC(=O)O)C1=CC=CS1 MCULE-3827031042 [0,1,0,0,0,0|2,1,0]=4 251 B11R1.77 N[C@H](CC(=O)O)C1=CC=CS1 MCULE-7126396520 [0,1,0,0,0,0|2,1,0]=4 252 B11R1.77 O=C(O)CC(=O)C1=CC=CO1 MCULE-2623089072 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.77 O=N(=O)CC(O)C1=CC=CO1 MCULE-2101624443 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.90 CC(=O)OCC1=C(N=NS1)C MCULE-3861239475 [0,1,0,0,0,0|2,1,0]=4 255 B11R1.90 CC(=O)OCC1=NON=C1C MCULE-3032525421 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.90 CC1=C(SC=C1)CCC(=O)O MCULE-6164958609 [0,1,0,0,0,0|2,1,0]=4 257 B11R1.90 CN1C=CC=C1CCC(=O)O MCULE-2837121735 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.90 O=C(O)CCC1=C(C=CS1)Br MCULE-6201800612 [0,1,0,0,0,0|2,1,0]=4 259 B11R1.510 CC(C)(C)NCC1=CC=CO1 MCULE-1649470384 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.510 CC(C)(C)NCC1=CC=CO1 MCULE-8039224773 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.510 CS(=O)(=O)NCC1=CC=CO1 MCULE-9219369184 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.510 CS(=O)(=O)NCC1=CC=CS1 MCULE-7561885761 [0,1,0,0,0,0|2,1,0]=4 263 B11R1.510 CS(=O)(=O)[N-]CC1=CC=CO1 MCULE-2042083909 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.510 CS(=O)(=O)[N-]CC1=CC=CO1 MCULE-7848407594 [0,1,0,0,0,0|2,0,0]=3 265 B9R0.2 C(=C/COC(=O)C)\CCC MCULE-6477561163 [0,0,1,0,0,0|1,0,2]=4 266 B9R0.2 C=CCCCCOC(=O)C MCULE-4254881456 [0,0,1,0,0,0|1,0,2]=4 267 B9R0.2 CC/C=C/CCOC(=O)C MCULE-5255060122 [0,0,1,0,0,0|1,0,2]=4 268 B9R0.2 CC/C=C\CCOC(=O)C MCULE-6583289353 [0,0,1,0,0,0|1,0,2]=4 269 B9R0.2 CC=CC=CCOC(=O)C MCULE-6151366522 [0,0,1,0,0,0|1,0,0]=2 270 B9R0.2 CCC=CCCOC(=O)C MCULE-9625548755 [0,0,1,0,0,0|1,0,2]=4 271 B9R0.2 CCCC=CCOC(=O)C MCULE-1950142599 [0,0,1,0,0,0|1,0,2]=4 272 B9R0.48 CCOC(=O)COC(=O)C MCULE-1796111350 [0,0,1,0,0,0|1,0,2]=4 273 B11R2.11 O=C1CC(C1)C2=NN=CO2 MCULE-2540726653 [0,0,0,1,0,0|3,0,0]=4 274 B11R2.11 O=C1CC(C1)N2C=CC=N2 MCULE-6119589873 [0,0,0,1,0,0|3,0,0]=4 275 B11R2.11 O=C1CC(N1)C2=CSC=C2 MCULE-4619286721 [0,0,0,1,0,0|3,0,0]=4 276 B11R2.36 CC1=CC2=C(C=C1)OC=C2 MCULE-2475611374 [0,0,0,1,0,0|2,0,1]=4 277 B11R2.36 O=C1CCC2=C(C1)C=CN2 MCULE-4113637130 [0,0,0,1,0,0|2,0,0]=3 278 B11R2.36 O=C1CCC2=C(C1)C=CS2 MCULE-9504436564 [0,0,0,1,0,0|1,1,0]=3 279 B11R2.36 O=C1CCC2=C(C1)C=NN2 MCULE-4476744323 [0,0,0,1,0,0|3,0,0]=4 280 B11R2.36 O=C1CCC2=C(C1)NC=N2 MCULE-6051737325 [0,0,0,1,0,0|3,0,0]=4 281 B11R2.36 O=C1CCC2=C(C1)SC=N2 MCULE-4905135556 [0,0,0,1,0,0|3,0,0]=4 282 B11R2.385 C1=COC(=C1)CNC2CC2 MCULE-6861809415 [0,0,0,1,0,0|2,0,1]=4 283 B9R1.13 BrC(=CC1=CC=CO1)Br MCULE-3343272789 [0,0,0,0,1,0|2,0,1]=4 284 B9R1.13 C1=NC(=CS1)CC(=O)O MCULE-1238453262 [0,0,0,0,1,0|3,0,0]=4 285 B9R1.13 C=C(Br)CC1=CC=CS1 MCULE-4173578387 [0,0,0,0,1,0|1,1,1]=4 286 B9R1.13 C=C(C)CC1=CC=CO1 MCULE-4120425400 [0,0,0,0,1,0|1,0,0]=2 287 B9R1.13 C=C(C)CC1=CC=CS1 MCULE-7442921300 [0,0,0,0,1,0|1,1,0]=3 288 B9R1.13 C=C(Cl)CC1=CC=CS1 MCULE-7939948941 [0,0,0,0,1,0|1,1,1]=4 289 B9R1.13 CC(=O)CC1=CC=CO1 MCULE-3781634843 [0,0,0,0,1,0|0,0,0]=1 290 B9R1.13 CC(=O)CC1=CC=CS1 MCULE-9004703203 [0,0,0,0,1,0|0,1,0]=2 291 B9R1.13 CC(=O)CC1=CC=NO1 MCULE-9545444993 [0,0,0,0,1,0|1,0,0]=2 292 B9R1.13 CC(=O)CC1=CN=CS1 MCULE-8783347852 [0,0,0,0,1,0|1,1,0]=3 293 B9R1.13 CC(=O)CC1=COC=C1 MCULE-2428760368 [0,0,0,0,1,0|2,0,0]=3 294 B9R1.13 CC(=O)CC1=CSC=C1 MCULE-1364443363 [0,0,0,0,1,0|2,0,0]=3 295 B9R1.13 CC(=O)CC1C=CCC1 MCULE-6918580278 [0,0,0,0,1,0|1,0,2]=4 296 B9R1.13 CC(=O)CN1C=CC=N1 MCULE-2312268519 [0,0,0,0,1,0|2,0,0]=3 297 B9R1.13 CC(=O)CN1C=CC=N1 MCULE-7407119287 [0,0,0,0,1,0|2,0,0]=3 298 B9R1.13 CC(=O)CN1C=CN=C1 MCULE-1604792895 [0,0,0,0,1,0|3,0,0]=4 299 B9R1.13 CC(=O)CN1C=CN=C1 MCULE-6829549689 [0,0,0,0,1,0|3,0,0]=4 300 B9R1.13 CC(=O)CN1C=NC=N1 MCULE-5335324012 [0,0,0,0,1,0|3,0,0]=4 301 B9R1.13 CC(=O)CN1C=NC=N1 MCULE-7925462566 [0,0,0,0,1,0|3,0,0]=4 302 B9R1.13 CC(=O)NC1=CC=CO1 MCULE-6766243633 [0,0,0,0,1,0|1,0,0]=2 303 B9R1.13 CC(=O)NC1=CC=CS1 MCULE-2977108636 [0,0,0,0,1,0|1,1,0]=3 304 B9R1.13 CC(=O)NC1=CC=NN1 MCULE-2847031032 [0,0,0,0,1,0|3,0,0]=4 305 B9R1.13 CC(=O)NC1=CSC=C1 MCULE-4876700541 [0,0,0,0,1,0|3,0,0]=4 306 B9R1.13 CC(=O)NC1=NC=CN1 MCULE-1210151356 [0,0,0,0,1,0|3,0,0]=4 307 B9R1.13 CC(=O)NC1=NC=CS1 MCULE-2195241325 [0,0,0,0,1,0|2,1,0]=4 308 B9R1.13 CC(=O)OC1C=CCC1 MCULE-5058666304 [0,0,0,0,1,0|1,0,2]=4 309 B9R1.13 CC(C)CC1=CC=CS1 MCULE-7756712498 [0,0,0,0,1,0|1,1,1]=4 310 B9R1.13 CC(N)CC1=CC=CN1 MCULE-3993757072 [0,0,0,0,1,0|2,0,1]=4 311 B9R1.13 CC(N)CC1=CC=CO1 MCULE-3146116219 [0,0,0,0,1,0|1,0,1]=3 312 B9R1.13 CC(N)CC1=CC=CO1 MCULE-4578762065 [0,0,0,0,1,0|1,0,1]=3 313 B9R1.13 CC(N)CC1=CC=CS1 MCULE-5917281272 [0,0,0,0,1,0|1,1,1]=4 314 B9R1.13 CC(N)CC1=CC=CS1 MCULE-9871715308 [0,0,0,0,1,0|1,1,1]=4 315 B9R1.13 CC(N)CC1=CC=NO1 MCULE-3143826828 [0,0,0,0,1,0|2,0,1]=4 316 B9R1.13 CC(O)CC1=CC=CO1 MCULE-5714080569 [0,0,0,0,1,0|0,0,2]=3 317 B9R1.13 CC(O)CC1=CC=NO1 MCULE-9728888169 [0,0,0,0,1,0|1,0,2]=4 318 B9R1.13 CN(C)CC1=CC=CN1 MCULE-2842533777 [0,0,0,0,1,0|3,0,0]=4 319 B9R1.13 CN(C)CC1=CC=CO1 MCULE-6961476261 [0,0,0,0,1,0|2,0,0]=3 320 B9R1.13 CN(C)CC1=CC=CS1 MCULE-9244206087 [0,0,0,0,1,0|2,1,0]=4 321 B9R1.13 N=C(N)CC1=CC=CS1 MCULE-6269778112 [0,0,0,0,1,0|2,1,0]=4 322 B9R1.13 N=C(N)CC1=CC=CS1 MCULE-7350630491 [0,0,0,0,1,0|2,1,0]=4 323 B9R1.13 NC(=O)CC1=CC=CS1 MCULE-6510920095 [0,0,0,0,1,0|1,1,0]=3 324 B9R1.13 NC(=O)CC1=CSC=C1 MCULE-7143041722 [0,0,0,0,1,0|3,0,0]=4 325 B9R1.13 NC(=O)CC1=CSC=N1 MCULE-7659311276 [0,0,0,0,1,0|3,0,0]=4 326 B9R1.13 NC(=O)CN1C=CC=N1 MCULE-9331392469 [0,0,0,0,1,0|3,0,0]=4 327 B9R1.13 NC(=S)CC1=CC=CS1 MCULE-6485403231 [0,0,0,0,1,0|1,2,0]=4 328 B9R1.13 O=C(Cl)CC1=CC=CO1 MCULE-9542407975 [0,0,0,0,1,0|1,0,0]=2 329 B9R1.13 O=C(Cl)CC1=CC=CS1 MCULE-3077784578 [0,0,0,0,1,0|1,1,0]=3 330 B9R1.13 O=C(Cl)CC1=CSC=C1 MCULE-4949997920 [0,0,0,0,1,0|3,0,0]=4 331 B9R1.13 O=C(O)CC1=CC=CN1 MCULE-7285438888 [0,0,0,0,1,0|2,0,0]=3 332 B9R1.13 O=C(O)CC1=CC=CO1 MCULE-8441709842 [0,0,0,0,1,0|1,0,0]=2 333 B9R1.13 O=C(O)CC1=CC=CS1 MCULE-7149489344 [0,0,0,0,1,0|1,1,0]=3 334 B9R1.13 O=C(O)CC1=CC=NN1 MCULE-6168707042 [0,0,0,0,1,0|3,0,0]=4 335 B9R1.13 O=C(O)CC1=CC=NN1 MCULE-7841552779 [0,0,0,0,1,0|3,0,0]=4 336 B9R1.13 O=C(O)CC1=CC=NO1 MCULE-1530103657 [0,0,0,0,1,0|2,0,0]=3 337 B9R1.13 O=C(O)CC1=CC=NS1 MCULE-3265054261 [0,0,0,0,1,0|2,1,0]=4 338 B9R1.13 O=C(O)CC1=CN=CN1 MCULE-4462983491 [0,0,0,0,1,0|3,0,0]=4 339 B9R1.13 O=C(O)CC1=CN=CO1 MCULE-6840081660 [0,0,0,0,1,0|2,0,0]=3 340 B9R1.13 O=C(O)CC1=CN=CS1 MCULE-1649938849 [0,0,0,0,1,0|2,1,0]=4 341 B9R1.13 O=C(O)CC1=CNC=C1 MCULE-4117122327 [0,0,0,0,1,0|3,0,0]=4 342 B9R1.13 O=C(O)CC1=CNC=N1 MCULE-7235823721 [0,0,0,0,1,0|3,0,0]=4 343 B9R1.13 O=C(O)CC1=COC=C1 MCULE-9657437511 [0,0,0,0,1,0|3,0,0]=4 344 B9R1.13 O=C(O)CC1=COC=N1 MCULE-5978349363 [0,0,0,0,1,0|3,0,0]=4 345 B9R1.13 O=C(O)CC1=CSC=C1 MCULE-7786560221 [0,0,0,0,1,0|3,0,0]=4 346 B9R1.13 O=C(O)CC1=CSC=N1 MCULE-1276507774 [0,0,0,0,1,0|3,0,0]=4 347 B9R1.13 O=C(O)CC1=NC=CN1 MCULE-1533615515 [0,0,0,0,1,0|3,0,0]=4 348 B9R1.13 O=C(O)CC1=NC=CN1 MCULE-2788600729 [0,0,0,0,1,0|3,0,0]=4 349 B9R1.13 O=C(O)CC1=NC=CS1 MCULE-7224650776 [0,0,0,0,1,0|2,1,0]=4 350 B9R1.13 O=C(O)CC1=NN=CO1 MCULE-5332086475 [0,0,0,0,1,0|3,0,0]=4 351 B9R1.13 O=C(O)CC1=NOC=C1 MCULE-9033104587 [0,0,0,0,1,0|3,0,0]=4 352 B9R1.13 O=C(O)CN1C=CC=C1 MCULE-2328864169 [0,0,0,0,1,0|3,0,0]=4 353 B9R1.13 O=C(O)CN1C=CC=N1 MCULE-6841999657 [0,0,0,0,1,0|3,0,0]=4 354 B9R1.13 O=C(O)CN1C=CC=N1 MCULE-7124185827 [0,0,0,0,1,0|3,0,0]=4 355 B9R1.13 O=C([O-])CC1=CNC=N1 MCULE-1164076285 [0,0,0,0,1,0|3,0,0]=4 356 B9R1.13 O=C([O-])CC1=NC=CS1 MCULE-3854476450 [0,0,0,0,1,0|2,1,0]=4 357 B11R1.91 C=C(C)CCC1=CC=CC=C1 MCULE-2990252396 [0,0,0,0,0,1|3,0,0]=4 358 B11R1.91 C=C(C)OCC1=CC=CC=C1 MCULE-9253229966 [0,0,0,0,0,1|2,0,0]=3 359 B11R1.91 CC(=CCC1=CC=CC=C1)C MCULE-6894689571 [0,0,0,0,0,1|3,0,0]=4 360 B11R1.91 CC(=N)NCC1=CC=CC=C1 MCULE-1620218963 [0,0,0,0,0,1|3,0,0]=4 361 B11R1.91 CC(=N)NCC1=CC=CC=C1 MCULE-8833975625 [0,0,0,0,0,1|3,0,0]=4 362 B11R1.91 CC(=N)SCC1=CC=CC=C1 MCULE-2830681415 [0,0,0,0,0,1|2,1,0]=4 363 B11R1.91 CC(=N)SCC1=CC=CC=C1 MCULE-3429191250 [0,0,0,0,0,1|2,1,0]=4 364 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 MCULE-4879858540 [0,0,0,0,0,1|2,0,1]=4 365 B11R1.91 CC(=O)/N=N/C1=CC=CC=C1 MCULE-3182323500 [0,0,0,0,0,1|3,0,0]=4 366 B11R1.91 CC(=O)C#CC1=CC=CC=C1 MCULE-7514493825 [0,0,0,0,0,1|2,0,1]=4 367 B11R1.91 CC(=O)C=CC1=CC=CC=C1 MCULE-5202944660 [0,0,0,0,0,1|2,0,1]=4 368 B11R1.91 CC(=O)C=CC1=CC=NC=C1 MCULE-8574000031 [0,0,0,0,0,1|2,0,1]=4 369 B11R1.91 CC(=O)C=CC1=CC=[NH+]C=C1 MCULE-7155207460 [0,0,0,0,0,1|2,0,1]=4 370 B11R1.91 CC(=O)CCC1=CC=CC=C1 MCULE-1136231603 [0,0,0,0,0,1|2,0,0]=3 371 B11R1.91 CC(=O)CCC1=CN=CC=C1 MCULE-8978954109 [0,0,0,0,0,1|2,0,0]=3 372 B11R1.91 CC(=O)CCC1=NC=CC=C1 MCULE-2250801533 [0,0,0,0,0,1|2,0,0]=3 373 B11R1.91 CC(=O)COC1=CC=CC=C1 MCULE-8124389556 [0,0,0,0,0,1|3,0,0]=4 374 B11R1.91 CC(=O)COC1=NC=CC=C1 MCULE-9843455535 [0,0,0,0,0,1|3,0,0]=4 375 B11R1.91 CC(=O)CSC1=CC=CC=C1 MCULE-8704732850 [0,0,0,0,0,1|3,0,0]=4 376 B11R1.91 CC(=O)N=NC1=CC=CC=C1 MCULE-1771024632 [0,0,0,0,0,1|3,0,0]=4 377 B11R1.91 CC(=O)NCC1=CC=CC=C1 MCULE-2051924381 [0,0,0,0,0,1|2,0,0]=3 378 B11R1.91 CC(=O)NCC1=CC=NC=C1 MCULE-8645049472 [0,0,0,0,0,1|2,0,0]=3 379 B11R1.91 CC(=O)NCC1=CN=CC=C1 MCULE-8882042703 [0,0,0,0,0,1|2,0,0]=3 380 B11R1.91 CC(=O)NCC1=CN=CN=C1 MCULE-5695116858 [0,0,0,0,0,1|3,0,0]=4 381 B11R1.91 CC(=O)NCC1=NC=CC=C1 MCULE-3133975600 [0,0,0,0,0,1|2,0,0]=3 382 B11R1.91 CC(=O)NCC1=NC=CC=C1 MCULE-5622133685 [0,0,0,0,0,1|2,0,0]=3 383 B11R1.91 CC(=O)NNC1=CC=CC=C1 MCULE-5989143063 [0,0,0,0,0,1|3,0,0]=4 384 B11R1.91 CC(=O)OCC1=CC=CC=C1 MCULE-7952998506 [0,0,0,0,0,1|1,0,0]=2 385 B11R1.91 CC(=O)OCC1=CC=NC=C1 MCULE-9787989740 [0,0,0,0,0,1|1,0,0]=2 386 B11R1.91 CC(=O)OCC1=NC=CC=C1 MCULE-8957630952 [0,0,0,0,0,1|1,0,0]=2 387 B11R1.91 CC(=O)OCC1=NC=CC=N1 MCULE-9700793157 [0,0,0,0,0,1|1,0,0]=2 388 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 MCULE-2518875564 [0,0,0,0,0,1|2,0,0]=3 389 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 MCULE-5081261516 [0,0,0,0,0,1|2,0,0]=3 390 B11R1.91 CC(=O)SCC1=CC=CN=C1 MCULE-4536121931 [0,0,0,0,0,1|1,1,0]=3 391 B11R1.91 CC(=O)SCC1=NC=CC=C1 MCULE-5300068362 [0,0,0,0,0,1|1,1,0]=3 392 B11R1.91 CC(=O)SSC1=CC=CC=C1 MCULE-9410782409 [0,0,0,0,0,1|2,1,0]=4 393 B11R1.91 CC(=S)NCC1=CC=CC=C1 MCULE-3109655156 [0,0,0,0,0,1|2,1,0]=4 394 B11R1.91 CC(C)OCC1=CC=CC=C1 MCULE-6126754514 [0,0,0,0,0,1|2,0,1]=4 395 B11R1.91 N=C(N)OCC1=CC=CC=C1 MCULE-9880051094 [0,0,0,0,0,1|3,0,0]=4 396 B11R1.91 NC(=O)CCC1=CC=CC=C1 MCULE-3588566414 [0,0,0,0,0,1|3,0,0]=4 397 B11R1.91 NC(=O)CCC1=CC=CN=C1 MCULE-9563578514 [0,0,0,0,0,1|3,0,0]=4 398 B11R1.91 NC(=O)CCC1=CC=NC=C1 MCULE-7075206346 [0,0,0,0,0,1|3,0,0]=4 399 B11R1.91 NC(=O)CCC1=CC=NC=N1 MCULE-1725058959 [0,0,0,0,0,1|3,0,0]=4 400 B11R1.91 NC(=O)CCC1=NC=CC=C1 MCULE-8837139984 [0,0,0,0,0,1|3,0,0]=4 401 B11R1.91 NC(=O)CCC1=NC=CC=N1 MCULE-3344072771 [0,0,0,0,0,1|3,0,0]=4 402 B11R1.91 NC(=O)NCC1=CC=CC=C1 MCULE-8856820054 [0,0,0,0,0,1|3,0,0]=4 403 B11R1.91 NC(=O)NCC1=CN=CC=C1 MCULE-4904155902 [0,0,0,0,0,1|3,0,0]=4 404 B11R1.91 NC(=O)NCC1=NC=CC=C1 MCULE-8949422121 [0,0,0,0,0,1|3,0,0]=4 405 B11R1.91 NC(=O)OCC1=CC=CC=C1 MCULE-8357463584 [0,0,0,0,0,1|2,0,0]=3 406 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 MCULE-2895233000 [0,0,0,0,0,1|3,0,0]=4 407 B11R1.91 O=C(Cl)CCC1=CN=CC=C1 MCULE-1586300353 [0,0,0,0,0,1|3,0,0]=4 408 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MCULE-3541425724 [0,0,0,0,0,1|2,0,0]=3 409 B11R1.91 O=C(Cl)OCC1=CN=CC=C1 MCULE-1746574828 [0,0,0,0,0,1|2,0,0]=3 410 B11R1.91 O=C(Cl)OCC1=CN=CC=C1 MCULE-8566293910 [0,0,0,0,0,1|2,0,0]=3 411 B11R1.91 O=C(O)CCC1=CC=CC=C1 MCULE-1670073750 [0,0,0,0,0,1|3,0,0]=4 412 B11R1.91 O=C(O)CCC1=CC=CC=N1 MCULE-7798422459 [0,0,0,0,0,1|3,0,0]=4 413 B11R1.91 O=C(O)CCC1=CC=NC=C1 MCULE-4931237552 [0,0,0,0,0,1|3,0,0]=4 414 B11R1.91 O=C(O)CCC1=CN=CC=C1 MCULE-9809125467 [0,0,0,0,0,1|3,0,0]=4 415 B11R1.91 O=C(O)CCC1=NC=CC=C1 MCULE-3850875705 [0,0,0,0,0,1|3,0,0]=4 416 B11R1.91 O=C(O)CCC1=NC=CC=C1 MCULE-7947562908 [0,0,0,0,0,1|3,0,0]=4 417 B11R1.91 O=C(O)CCC1=NC=CC=N1 MCULE-6402169801 [0,0,0,0,0,1|3,0,0]=4 418 B11R1.91 O=C(O)CCC1=NC=CN=C1 MCULE-1475251267 [0,0,0,0,0,1|3,0,0]=4 419 B11R1.91 O=C(O)CCC1=NC=NC=C1 MCULE-1053932202 [0,0,0,0,0,1|3,0,0]=4 420 B11R1.91 O=C(O)CCC1=NN=CC=C1 MCULE-2530115442 [0,0,0,0,0,1|3,0,0]=4 421 B11R1.91 O=C([O-])CCC1=CC=CC=C1 MCULE-5708877330 [0,0,0,0,0,1|3,0,0]=4 422 B11R1.172 CC(=O)CSCC1=CC=CO1 MCULE-8946739392 [0,0,0,0,0,1|0,1,0]=2 423 B11R1.172 CC(=O)NCCC1=CNC=N1 MCULE-3461315237 [0,0,0,0,0,1|3,0,0]=4 424 B11R1.172 CC(=O)NCCC1=CNC=N1 MCULE-3699220753 [0,0,0,0,0,1|3,0,0]=4 425 B11R1.172 CC(=O)NCCC1=COC=C1 MCULE-5271070237 [0,0,0,0,0,1|3,0,0]=4 426 B11R1.172 CC(=O)NCCN1C=CC=C1 MCULE-6625621153 [0,0,0,0,0,1|3,0,0]=4 427 B11R1.172 CC(=O)NCCN1C=CC=N1 MCULE-9282244427 [0,0,0,0,0,1|3,0,0]=4 428 B11R1.172 CC(=O)NN=CC1=CC=CO1 MCULE-5071283682 [0,0,0,0,0,1|1,0,1]=3 429 B11R1.172 CC(C)CNCC1=CC=CO1 MCULE-3100274867 [0,0,0,0,0,1|2,0,1]=4 430 B11R1.172 CC(C)CNCC1=CC=CO1 MCULE-9673379156 [0,0,0,0,0,1|2,0,1]=4 431 B11R1.172 CC(O)CNCC1=CC=CO1 MCULE-5288259040 [0,0,0,0,0,1|1,0,2]=4 432 B11R1.172 NC(=O)NCCC1=CC=CS1 MCULE-3023710976 [0,0,0,0,0,1|2,1,0]=4 433 B11R1.172 O=C(O)CCCC1=CC=CS1 MCULE-2208395467 [0,0,0,0,0,1|2,1,0]=4 434 B11R1.172 O=C(O)CCSC1=CC=CS1 MCULE-5358677561 [0,0,0,0,0,1|2,1,0]=4 435 B11R1.172 O=C(O)CNCC1=CC=CO1 MCULE-3294949215 [0,0,0,0,0,1|2,0,0]=3 436 B11R1.172 O=C(O)COCC1=CC=CO1 MCULE-2722649918 [0,0,0,0,0,1|1,0,0]=2 437 B11R1.172 O=C(O)CSCC1=CC=CO1 MCULE-2797657778 [0,0,0,0,0,1|1,1,0]=3 438 B11R1.172 O=C(O)CSCC1=CC=CS1 MCULE-8336860516 [0,0,0,0,0,1|1,2,0]=4 439 B11R1.172 O=C([O-])COCC1=CC=CO1 MCULE-3260300210 [0,0,0,0,0,1|1,0,0]=2 440 B8R0.7 C=CCCCOC(=O)C MCULE-2972695808 [1,0,1,0,0,0|0,0,2]=4 441 B8R0.9 C=CC(=O)COC(=O)C MCULE-1008872923 [1,0,1,0,0,0|0,0,1]=3 442 B8R1.8 BrCCC1=CC=CO1 MCULE-3244967096 [2,0,0,0,0,0|1,0,1]=4 443 B8R1.8 C=CCC1=CC=CS1 MCULE-7817434134 [2,0,0,0,0,0|0,1,1]=4 444 B8R1.8 CCCC1=CC=CO1 MCULE-9366942285 [2,0,0,0,0,0|0,0,1]=3 445 B8R1.8 CCCC1=CC=CS1 MCULE-8817558072 [2,0,0,0,0,0|0,1,1]=4 446 B8R1.8 CCOC1=CC=CS1 MCULE-9738674536 [2,0,0,0,0,0|0,1,1]=4 447 B8R1.8 CNCC1=CC=CN1 MCULE-7470399708 [2,0,0,0,0,0|2,0,0]=4 448 B8R1.8 CNCC1=CC=CO1 MCULE-1710918294 [2,0,0,0,0,0|1,0,0]=3 449 B8R1.8 CNCC1=CC=CO1 MCULE-5299298318 [2,0,0,0,0,0|1,0,0]=3 450 B8R1.8 CNCC1=CC=CS1 MCULE-1755907438 [2,0,0,0,0,0|1,1,0]=4 451 B8R1.8 CNCC1=CC=CS1 MCULE-4922516251 [2,0,0,0,0,0|1,1,0]=4 452 B8R1.8 CNCC1=CC=NO1 MCULE-4000837015 [2,0,0,0,0,0|2,0,0]=4 453 B8R1.8 CNCC1=CC=NO1 MCULE-5783870927 [2,0,0,0,0,0|2,0,0]=4 454 B8R1.8 CNCC1=NC=CO1 MCULE-8262188358 [2,0,0,0,0,0|2,0,0]=4 455 B8R1.8 COCC1=CC=CO1 MCULE-8030118388 [2,0,0,0,0,0|0,0,0]=2 456 B8R1.8 COCC1=CC=CS1 MCULE-8617166522 [2,0,0,0,0,0|0,1,0]=3 457 B8R1.8 COCC1=CNC=N1 MCULE-6400642919 [2,0,0,0,0,0|2,0,0]=4 458 B8R1.8 COCC1=NC=CN1 MCULE-7695620417 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.8 COCC1=NNC=C1 MCULE-3015431837 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.8 COCN1C=CC=C1 MCULE-4518526619 [2,0,0,0,0,0|2,0,0]=4 461 B8R1.8 COCN1C=CC=N1 MCULE-6076924643 [2,0,0,0,0,0|2,0,0]=4 462 B8R1.8 CSCC1=CC=CO1 MCULE-5733837840 [2,0,0,0,0,0|0,1,0]=3 463 B8R1.8 N#CCC1=CC=CO1 MCULE-3440874191 [2,0,0,0,0,0|1,0,1]=4 464 B8R1.8 NCCC1=CC=CO1 MCULE-1993487866 [2,0,0,0,0,0|1,0,1]=4 465 B8R1.8 NCCC1=CC=CO1 MCULE-7825208047 [2,0,0,0,0,0|1,0,1]=4 466 B8R1.8 O=CCC1=CC=CS1 MCULE-8803167927 [2,0,0,0,0,0|0,1,0]=3 467 B8R1.8 O=CCC1=NC=CS1 MCULE-9346872492 [2,0,0,0,0,0|1,1,0]=4 468 B8R1.8 O=CCN1C=CC=N1 MCULE-2228579716 [2,0,0,0,0,0|2,0,0]=4 469 B8R1.8 O=CCN1C=CC=N1 MCULE-9821118264 [2,0,0,0,0,0|2,0,0]=4 470 B8R1.8 OCCC1=CC=CO1 MCULE-1182357404 [2,0,0,0,0,0|0,0,2]=4 471 B8R1.8 ONCC1=CC=CO1 MCULE-1470863428 [2,0,0,0,0,0|1,0,1]=4 472 B10R0.55 COC(=O)C=CCOC(=O)C MCULE-9685968367 [0,1,1,0,0,0|2,0,0]=4 473 B10R1.11 C=CCC(O)C1=CC=CO1 MCULE-3788976390 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.11 C=CC[C@@H](N)C1=CC=CO1 MCULE-2008360677 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.11 C=CC[C@@H](N)C1=CC=CO1 MCULE-7714737928 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.11 C=CC[C@H](N)C1=CC=CO1 MCULE-7567577073 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.11 C=CC[C@H](N)C1=CC=CO1 MCULE-7715887562 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.11 CCCC(N)C1=CC=CO1 MCULE-3700821300 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.11 CCCC(N)C1=CC=CO1 MCULE-7483484101 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.11 CCCC(O)C1=CC=CO1 MCULE-6510694409 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.11 CCC[C@@H](N)C1=CC=CO1 MCULE-1580897891 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.11 CCC[C@@H](N)C1=CC=CO1 MCULE-4372091514 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.11 CCC[C@H](N)C1=CC=CO1 MCULE-5398911467 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.11 CCC[C@H](N)C1=CC=CO1 MCULE-8662647965 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.11 CCOC(=O)C1=CC=CO1 MCULE-5049309997 [1,1,0,0,0,0|0,0,2]=4 486 B10R1.11 COCC(N)C1=CC=CO1 MCULE-2163480823 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.16 C=CCCC1=CC=C(O1)C MCULE-3899093156 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.16 CC1=CC=C(O1)C=CC=O MCULE-3527866291 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.16 CC1=CC=C(O1)CCC=O MCULE-6278960480 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.16 CC1=CC=C(O1)CNC=O MCULE-3710701326 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.16 CCNCC1=CC=C(O1)C MCULE-6540492453 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.16 CCNCC1=CC=C(O1)C MCULE-9820481243 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.16 CCOCC1=CC(=CS1)Br MCULE-8408976004 [1,1,0,0,0,0|0,1,1]=4 494 B10R1.16 CCOCC1=CC(=NO1)C MCULE-6825970287 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.16 CCOCC1=CC=C(S1)Br MCULE-8866708054 [1,1,0,0,0,0|0,1,1]=4 496 B10R1.16 CONCC1=CC=C(O1)C MCULE-1305144259 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.21 C=CCNCC1=CC=CO1 MCULE-1593541007 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.21 C=CCNCC1=CC=CO1 MCULE-7137690637 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.21 CCCCCC1=CC=CO1 MCULE-7495475438 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.21 CCCNCC1=CC=CO1 MCULE-6122894463 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.21 CCCNCC1=CC=CO1 MCULE-8770938830 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.21 CNCCCC1=CC=CO1 MCULE-7583228791 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.21 NCCSCC1=CC=CO1 MCULE-5809245795 [1,1,0,0,0,0|0,1,1]=4 504 B10R1.21 OCCNCC1=CC=CO1 MCULE-4700580438 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.21 OCCNCC1=CC=CO1 MCULE-9359067159 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.27 C/C(=C\C1=CC=CO1)/C=O MCULE-3479276403 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.27 CC(=CC1=CC=CO1)C=O MCULE-7398331146 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.27 CCC(=O)CC1=CC=CO1 MCULE-6240079097 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.27 COC(=O)CC1=CC=CO1 MCULE-3704769119 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.29 CCNCC1=C(C=CO1)C MCULE-8951611300 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.23 C(N)(C(=O)O)C1=CC=CS1 MCULE-1250665795 [0,1,0,0,1,0|1,1,0]=4 512 B10R1.23 CC(C(=O)O)C1=CC=CO1 MCULE-6443441937 [0,1,0,0,1,0|1,0,0]=3 513 B10R1.23 CC(C(=O)O)C1=CC=CS1 MCULE-4675409626 [0,1,0,0,1,0|1,1,0]=4 514 B10R1.23 NC(=O)C(=O)C1=CC=CO1 MCULE-8360919922 [0,1,0,0,1,0|1,0,1]=4 515 B10R1.23 NC(=O)C(N)C1=CC=CS1 MCULE-8794248297 [0,1,0,0,1,0|1,1,0]=4 516 B10R1.23 NC(C(=O)O)C1=CC=CO1 MCULE-9043644841 [0,1,0,0,1,0|1,0,0]=3 517 B10R1.23 NC(C(=O)O)C1=CC=CS1 MCULE-2621741244 [0,1,0,0,1,0|1,1,0]=4 518 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 MCULE-5616654577 [0,1,0,0,1,0|1,1,0]=4 519 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 MCULE-8589130349 [0,1,0,0,1,0|1,1,0]=4 520 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 MCULE-6119385757 [0,1,0,0,1,0|1,1,0]=4 521 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 MCULE-8662100722 [0,1,0,0,1,0|1,1,0]=4 522 B10R1.23 O=C(O)C(=O)C1=CC=CO1 MCULE-5129158726 [0,1,0,0,1,0|1,0,1]=4 523 B10R1.23 O=C(O)C(F)C1=CC=CS1 MCULE-4401360218 [0,1,0,0,1,0|1,1,0]=4 524 B10R1.23 O=C(O)C(O)C1=CC=CO1 MCULE-1444782782 [0,1,0,0,1,0|1,0,0]=3 525 B10R1.23 O=C(O)C(O)C1=CC=CS1 MCULE-2358633427 [0,1,0,0,1,0|1,1,0]=4 526 B10R1.54 C=C(C)CC1=CC=C(S1)Br MCULE-6156944461 [0,1,0,0,1,0|1,1,0]=4 527 B10R1.54 C=C(C)CC1=CC=C(S1)C MCULE-1776382116 [0,1,0,0,1,0|1,1,0]=4 528 B10R1.54 C=C(C)CC1=CC=C(S1)Cl MCULE-9082913294 [0,1,0,0,1,0|1,1,0]=4 529 B10R1.54 CC(=O)CC1=NC(=CS1)C MCULE-8200671422 [0,1,0,0,1,0|1,1,0]=4 530 B10R1.54 CC(=O)CC1=NC(=NO1)C MCULE-8613274425 [0,1,0,0,1,0|2,0,0]=4 531 B10R1.54 CC(=O)CC1=NN=C(O1)C MCULE-8232598416 [0,1,0,0,1,0|2,0,0]=4 532 B10R1.54 CC(=O)CN1C=C(C=N1)Br MCULE-4384145659 [0,1,0,0,1,0|2,0,0]=4 533 B10R1.54 CC(=O)CN1C=C(C=N1)Br MCULE-8005603109 [0,1,0,0,1,0|2,0,0]=4 534 B10R1.54 CC(=O)CN1C=C(C=N1)C MCULE-2625946043 [0,1,0,0,1,0|2,0,0]=4 535 B10R1.54 CC(=O)CN1C=C(C=N1)I MCULE-5269122330 [0,1,0,0,1,0|2,0,0]=4 536 B10R1.54 CC(=O)CN1C=CC(=N1)C MCULE-1185636583 [0,1,0,0,1,0|2,0,0]=4 537 B10R1.54 CC(=O)NC1=CC(=NO1)C MCULE-3252754001 [0,1,0,0,1,0|2,0,0]=4 538 B10R1.54 CC(=O)NC1=CC=C(S1)Br MCULE-2561403972 [0,1,0,0,1,0|1,1,0]=4 539 B10R1.54 CC(=O)NC1C=CC(=O)O1 MCULE-9051685968 [0,1,0,0,1,0|1,0,1]=4 540 B10R1.54 CC(=O)OC1=CC(=O)CC1 MCULE-2350469419 [0,1,0,0,1,0|1,0,1]=4 541 B10R1.54 CC(=O)OC1=CN=C(S1)Br MCULE-8047691649 [0,1,0,0,1,0|1,1,0]=4 542 B10R1.54 CC(=O)OC1=CSC(=N1)N MCULE-9507441315 [0,1,0,0,1,0|2,0,0]=4 543 B10R1.54 CC(=O)OC1C=CC(=O)C1 MCULE-1995104822 [0,1,0,0,1,0|1,0,1]=4 544 B10R1.54 CC(=O)OC1C=CC(=O)C1 MCULE-6098214127 [0,1,0,0,1,0|1,0,1]=4 545 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 MCULE-8759163146 [0,1,0,0,1,0|1,0,1]=4 546 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 MCULE-9642043866 [0,1,0,0,1,0|1,0,1]=4 547 B10R1.54 CC1=CC=C(O1)CC(=O)O MCULE-4642905149 [0,1,0,0,1,0|1,0,0]=3 548 B10R1.54 CC1=CC=C(O1)CN(C)C MCULE-1188919306 [0,1,0,0,1,0|2,0,0]=4 549 B10R1.54 CC1=CC=C(O1)CN(C)C MCULE-7379252174 [0,1,0,0,1,0|2,0,0]=4 550 B10R1.54 CC1=CC=C(S1)CC(=O)O MCULE-6426499804 [0,1,0,0,1,0|1,1,0]=4 551 B10R1.54 CC1=CSC(=C1)CC(=O)O MCULE-6328016056 [0,1,0,0,1,0|1,1,0]=4 552 B10R1.54 CC1=NC=C(O1)CC(=O)O MCULE-3634082969 [0,1,0,0,1,0|2,0,0]=4 553 B10R1.54 CC1=NOC(=C1)CC(=O)Cl MCULE-4685295417 [0,1,0,0,1,0|2,0,0]=4 554 B10R1.54 CC1=NOC(=C1)CC(=O)O MCULE-1458938389 [0,1,0,0,1,0|2,0,0]=4 555 B10R1.54 O=C(Cl)CC1=CC=C(S1)Br MCULE-7106632788 [0,1,0,0,1,0|1,1,0]=4 556 B10R1.54 O=C(O)CC1=CC(=CS1)Br MCULE-8160824250 [0,1,0,0,1,0|1,1,0]=4 557 B10R1.54 O=C(O)CC1=CC=C(S1)Br MCULE-3689606723 [0,1,0,0,1,0|1,1,0]=4 558 B10R1.54 O=C(O)CC1=CC=C(S1)Cl MCULE-3750481360 [0,1,0,0,1,0|1,1,0]=4 559 B10R1.54 O=C(O)CC1=CC=C(S1)F MCULE-8890895288 [0,1,0,0,1,0|1,1,0]=4 560 B10R1.64 C=C(C)CC1=C(C=CS1)Br MCULE-6632254855 [0,1,0,0,1,0|1,1,0]=4 561 B10R1.64 C=C(C)CC1=C(C=CS1)C MCULE-6133051151 [0,1,0,0,1,0|1,1,0]=4 562 B10R1.64 CC(=O)CN1N=CC=C1C MCULE-8250293895 [0,1,0,0,1,0|2,0,0]=4 563 B10R1.64 CC(=O)OC1=C(C=CS1)N MCULE-6840281875 [0,1,0,0,1,0|0,1,0]=3 564 B10R1.64 CC1=C(OC=C1)CC(=O)O MCULE-1698084617 [0,1,0,0,1,0|1,0,0]=3 565 B10R1.64 CC1=C(OC=N1)CC(=O)O MCULE-8618901468 [0,1,0,0,1,0|2,0,0]=4 566 B10R1.64 CC1=C(SC=C1)CC(=O)O MCULE-4248952582 [0,1,0,0,1,0|1,1,0]=4 567 B10R1.64 CN1C=CC=C1CC(=O)O MCULE-2351998916 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.64 O=C(O)CC1=C(C=CO1)Cl MCULE-9842926672 [0,1,0,0,1,0|1,0,0]=3 569 B10R1.64 O=C(O)CC1=C(C=CS1)Br MCULE-1925028987 [0,1,0,0,1,0|1,1,0]=4 570 B10R1.281 C[Si](C)(C)OC1=CC=CO1 MCULE-7492002041 [0,1,0,0,1,0|1,1,0]=4 571 B12R1.21 CC(=O)CCC1=CC=C(C=C1)Br MCULE-5032630211 [0,1,0,0,0,1|2,0,0]=4 572 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C MCULE-3886403881 [0,1,0,0,0,1|2,0,0]=4 573 B12R1.21 CC(=O)CCC1=CC=C(C=C1)Cl MCULE-7275025982 [0,1,0,0,0,1|2,0,0]=4 574 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F MCULE-4146230731 [0,1,0,0,0,1|2,0,0]=4 575 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I MCULE-4528069890 [0,1,0,0,0,1|2,0,0]=4 576 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O MCULE-8771951405 [0,1,0,0,0,1|2,0,0]=4 577 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br MCULE-5123042587 [0,1,0,0,0,1|2,0,0]=4 578 B12R1.21 CC(=O)NCC1=CC=C(C=C1)C MCULE-9377579573 [0,1,0,0,0,1|2,0,0]=4 579 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl MCULE-5148797746 [0,1,0,0,0,1|2,0,0]=4 580 B12R1.21 CC(=O)NCC1=CC=C(C=C1)F MCULE-8735224434 [0,1,0,0,0,1|2,0,0]=4 581 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N MCULE-4826421840 [0,1,0,0,0,1|2,0,0]=4 582 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O MCULE-3038555782 [0,1,0,0,0,1|2,0,0]=4 583 B12R1.21 CC(=O)NCC1=CC=C(N=C1)Cl MCULE-8342752677 [0,1,0,0,0,1|2,0,0]=4 584 B12R1.21 CC(=O)NCC1=NC=C(C=C1)N MCULE-7995818685 [0,1,0,0,0,1|2,0,0]=4 585 B12R1.21 CC(=O)NCC1=NC=C(N=C1)Cl MCULE-2628803801 [0,1,0,0,0,1|2,0,0]=4 586 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C MCULE-5313364173 [0,1,0,0,0,1|1,0,0]=3 587 B12R1.21 CC(=O)OCC1=CC=C(C=C1)Cl MCULE-3654865604 [0,1,0,0,0,1|1,0,0]=3 588 B12R1.21 CC(=O)OCC1=CN=C(C=C1)Cl MCULE-8909836731 [0,1,0,0,0,1|1,0,0]=3 589 B12R1.21 CC(=O)OCC1C=CC(=NO1)C MCULE-3561008179 [0,1,0,0,0,1|0,0,1]=3 590 B12R1.21 O=C(Cl)OCC1=CC=C(C=C1)Br MCULE-2179312369 [0,1,0,0,0,1|2,0,0]=4 591 B12R1.21 O=C(Cl)OCC1=CC=C(C=C1)Cl MCULE-4206803949 [0,1,0,0,0,1|2,0,0]=4 592 B12R1.21 O=C(Cl)OCC1=CC=C(C=C1)F MCULE-7280261927 [0,1,0,0,0,1|2,0,0]=4 593 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 MCULE-6374995637 [0,1,0,0,0,1|1,0,1]=4 594 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 MCULE-9376976489 [0,1,0,0,0,1|1,0,1]=4 595 B12R1.27 CCC(=O)CCC1=CC=CC=C1 MCULE-8657578743 [0,1,0,0,0,1|2,0,0]=4 596 B12R1.27 CCC(=O)NCC1=CC=CC=C1 MCULE-7839045376 [0,1,0,0,0,1|2,0,0]=4 597 B12R1.27 CCC(=O)OCC1=CC=CC=C1 MCULE-6579799733 [0,1,0,0,0,1|1,0,0]=3 598 B12R1.27 CNC(=O)CCC1=CC=CC=C1 MCULE-3807954819 [0,1,0,0,0,1|2,0,0]=4 599 B12R1.27 CNC(=O)NCC1=CC=NC=C1 MCULE-5187280144 [0,1,0,0,0,1|2,0,0]=4 600 B12R1.27 CNC(=O)NCC1=CN=CC=C1 MCULE-5373703874 [0,1,0,0,0,1|2,0,0]=4 601 B12R1.27 CNC(=O)NCC1=NC=CC=C1 MCULE-2136264551 [0,1,0,0,0,1|2,0,0]=4 602 B12R1.27 COC(=O)CCC1=CC=CC=C1 MCULE-1647522263 [0,1,0,0,0,1|2,0,0]=4 603 B12R1.27 COC(=O)CCC1=CC=NC=C1 MCULE-1070035261 [0,1,0,0,0,1|2,0,0]=4 604 B12R1.27 COC(=O)CCC1=CC=NC=N1 MCULE-2869011674 [0,1,0,0,0,1|2,0,0]=4 605 B12R1.27 COC(=O)CCC1=CN=CC=C1 MCULE-8699627407 [0,1,0,0,0,1|2,0,0]=4 606 B12R1.27 COC(=O)CCC1=NC=CC=C1 MCULE-2350215112 [0,1,0,0,0,1|2,0,0]=4 607 B12R1.27 COC(=O)CCC1=NC=CC=N1 MCULE-4741184577 [0,1,0,0,0,1|2,0,0]=4 608 B12R1.27 COC(=O)CCC1=NC=CN=C1 MCULE-3200681560 [0,1,0,0,0,1|2,0,0]=4 609 B12R1.27 COC(=O)NCC1=CC=CC=C1 MCULE-4950997948 [0,1,0,0,0,1|2,0,0]=4 610 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 MCULE-3172849910 [0,1,0,0,0,1|1,0,1]=4 611 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 MCULE-8101954895 [0,1,0,0,0,1|1,0,1]=4 612 B12R1.27 C[C@H](C=O)OCC1=CC=CC=C1 MCULE-4108515139 [0,1,0,0,0,1|1,0,1]=4 613 B12R1.27 N#CC(=O)OCC1=CC=CC=C1 MCULE-8677049666 [0,1,0,0,0,1|1,0,1]=4 614 B12R1.27 NCC(=O)CCC1=CC=CC=C1 MCULE-4094656106 [0,1,0,0,0,1|2,0,0]=4 615 B12R1.27 NCC(=O)CCC1=CC=CC=C1 MCULE-8867640505 [0,1,0,0,0,1|2,0,0]=4 616 B12R1.27 NCC(=O)NCC1=CC=CC=C1 MCULE-7579204027 [0,1,0,0,0,1|2,0,0]=4 617 B12R1.27 NCC(=O)NCC1=CC=CC=C1 MCULE-9300471193 [0,1,0,0,0,1|2,0,0]=4 618 B12R1.27 NCC(=O)NCC1=CC=CN=C1 MCULE-1423702587 [0,1,0,0,0,1|2,0,0]=4 619 B12R1.27 NCC(=O)NCC1=CC=CN=C1 MCULE-3614900327 [0,1,0,0,0,1|2,0,0]=4 620 B12R1.27 NCC(=O)NCC1=CC=NC=C1 MCULE-5438765746 [0,1,0,0,0,1|2,0,0]=4 621 B12R1.27 NCC(=O)NCC1=CC=NC=C1 MCULE-6941236470 [0,1,0,0,0,1|2,0,0]=4 622 B12R1.27 NCC(=O)NCC1=NC=CC=C1 MCULE-1537155113 [0,1,0,0,0,1|2,0,0]=4 623 B12R1.27 NCC(=O)NCC1=NC=CC=C1 MCULE-7422645650 [0,1,0,0,0,1|2,0,0]=4 624 B12R1.27 NCC(=O)NCC1=NC=CC=C1 MCULE-7967479157 [0,1,0,0,0,1|2,0,0]=4 625 B12R1.27 NCC(=O)NCC1=NC=CN=C1 MCULE-8965734454 [0,1,0,0,0,1|2,0,0]=4 626 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MCULE-4339891792 [0,1,0,0,0,1|1,0,0]=3 627 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MCULE-4931378252 [0,1,0,0,0,1|1,0,0]=3 628 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MCULE-7529657957 [0,1,0,0,0,1|1,0,0]=3 629 B12R1.27 NCC(=O)SCC1=CC=CC=C1 MCULE-2988812316 [0,1,0,0,0,1|1,1,0]=4 630 B12R1.27 NNC(=O)OCC1=CC=CC=C1 MCULE-1650875098 [0,1,0,0,0,1|2,0,0]=4 631 B12R1.27 NNC(=O)OCC1=CC=CC=C1 MCULE-6569393445 [0,1,0,0,0,1|2,0,0]=4 632 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 MCULE-5957115741 [0,1,0,0,0,1|2,0,0]=4 633 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 MCULE-2602504848 [0,1,0,0,0,1|2,0,0]=4 634 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 MCULE-8955848365 [0,1,0,0,0,1|1,0,0]=3 635 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 MCULE-3689633288 [0,1,0,0,0,1|2,0,0]=4 636 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 MCULE-8776040788 [0,1,0,0,0,1|2,0,0]=4 637 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 MCULE-3657500146 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.27 O=C(CCl)NCC1=CN=CC=C1 MCULE-3519176982 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.27 O=C(CCl)NCC1=CN=CC=C1 MCULE-4570913269 [0,1,0,0,0,1|2,0,0]=4 640 B12R1.27 O=C(CCl)NCC1=NC=CC=C1 MCULE-3320612919 [0,1,0,0,0,1|2,0,0]=4 641 B12R1.27 O=C(CCl)NCC1=NC=CC=C1 MCULE-9029663056 [0,1,0,0,0,1|2,0,0]=4 642 B12R1.27 O=C(CCl)NCC1=NC=CN=C1 MCULE-8711355747 [0,1,0,0,0,1|2,0,0]=4 643 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 MCULE-8284636354 [0,1,0,0,0,1|1,0,0]=3 644 B12R1.27 O=C(CO)NCC1=CC=CC=C1 MCULE-4708335371 [0,1,0,0,0,1|2,0,0]=4 645 B12R1.27 O=C(CO)OCC1=CC=CC=C1 MCULE-6868642200 [0,1,0,0,0,1|1,0,0]=3 646 B12R1.27 O=C(CS)OCC1=CC=CC=C1 MCULE-6583806514 [0,1,0,0,0,1|1,0,0]=3 647 B12R1.27 O=C(NO)OCC1=CC=CC=C1 MCULE-1476264710 [0,1,0,0,0,1|2,0,0]=4 648 B12R1.27 O=CC(=O)OCC1=CC=CC=C1 MCULE-4022615260 [0,1,0,0,0,1|1,0,1]=4 649 B12R1.43 CC(=O)C(Br)CC1=CC=CC=C1 MCULE-1714878295 [0,1,0,0,0,1|2,0,0]=4 650 B12R1.43 CC(=O)C(C)CC1=CC=CC=C1 MCULE-9879731396 [0,1,0,0,0,1|2,0,0]=4 651 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 MCULE-4230256436 [0,1,0,0,0,1|2,0,0]=4 652 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 MCULE-7161249545 [0,1,0,0,0,1|2,0,0]=4 653 B12R1.43 CC(=O)N(C)CC1=CN=CC=C1 MCULE-8038594065 [0,1,0,0,0,1|2,0,0]=4 654 B12R1.107 C=C(OC(=O)C)C1=CC=CC=C1 MCULE-4064749340 [0,1,0,0,0,1|1,0,1]=4 655 B12R1.107 CC(=O)CC(C)C1=CC=CC=C1 MCULE-9238946189 [0,1,0,0,0,1|2,0,0]=4 656 B12R1.107 CC(=O)CC(O)C1=CC=CC=N1 MCULE-4578524434 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.107 CC(=O)C[C@@H](O)C1=CC=[NH+]C=C1 MCULE-5834701488 [0,1,0,0,0,1|2,0,0]=4 658 B12R1.107 CC(=O)C[C@@H](O)C1=CC=[NH+]C=C1 MCULE-9298145324 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 MCULE-1517039596 [0,1,0,0,0,1|2,0,0]=4 660 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 MCULE-7308870082 [0,1,0,0,0,1|2,0,0]=4 661 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 MCULE-3728241344 [0,1,0,0,0,1|2,0,0]=4 662 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 MCULE-9566820496 [0,1,0,0,0,1|2,0,0]=4 663 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 MCULE-3913313961 [0,1,0,0,0,1|2,0,0]=4 664 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 MCULE-4525565637 [0,1,0,0,0,1|2,0,0]=4 665 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 MCULE-4422609619 [0,1,0,0,0,1|1,0,0]=3 666 B12R1.107 CC(=O)OC(N)C1=NC=CC=N1 MCULE-7472686977 [0,1,0,0,0,1|1,0,0]=3 667 B12R1.107 CC(OC(=O)Cl)C1=CC=CC=C1 MCULE-8877097978 [0,1,0,0,0,1|2,0,0]=4 668 B12R1.107 [NH+]1=CC=CC=C1C(O)CC(=O)C MCULE-4067045723 [0,1,0,0,0,1|2,0,0]=4 669 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F MCULE-3742205438 [0,1,0,0,0,1|2,0,0]=4 670 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl MCULE-4579663497 [0,1,0,0,0,1|2,0,0]=4 671 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C MCULE-3656536333 [0,1,0,0,0,1|2,0,0]=4 672 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C MCULE-7419011539 [0,1,0,0,0,1|2,0,0]=4 673 B12R1.125 CC(=O)NCC1=C(C=CC=C1)Br MCULE-9227086288 [0,1,0,0,0,1|2,0,0]=4 674 B12R1.125 CC(=O)NCC1=C(C=CC=C1)Cl MCULE-3269066882 [0,1,0,0,0,1|2,0,0]=4 675 B12R1.125 CC(=O)NCC1=C(C=CC=N1)C MCULE-1568898839 [0,1,0,0,0,1|2,0,0]=4 676 B12R1.125 CC(=O)NCC1=CC=CC=C1O MCULE-4833566471 [0,1,0,0,0,1|2,0,0]=4 677 B12R1.125 CC(=O)OCC1=C(C=CC=C1)Br MCULE-8061911311 [0,1,0,0,0,1|1,0,0]=3 678 B12R1.125 CC(=O)SCC1=CC=CC=C1Cl MCULE-3653281165 [0,1,0,0,0,1|1,1,0]=4 679 B12R1.125 CC1=C(C=CC=C1)COC(=O)Cl MCULE-8254375691 [0,1,0,0,0,1|2,0,0]=4 680 B12R1.125 O=C(Cl)OCC1=C(C=CC=C1)F MCULE-4555584500 [0,1,0,0,0,1|2,0,0]=4 681 B12R1.125 O=C(Cl)OCC1=CC=CC=C1Cl MCULE-6877605611 [0,1,0,0,0,1|2,0,0]=4 682 B12R1.226 CC(=O)CCC1=CC(=CC=C1)Br MCULE-6542929800 [0,1,0,0,0,1|2,0,0]=4 683 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C MCULE-3521864248 [0,1,0,0,0,1|2,0,0]=4 684 B12R1.226 CC(=O)CCC1=CC(=CC=C1)Cl MCULE-2707623461 [0,1,0,0,0,1|2,0,0]=4 685 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F MCULE-5772196572 [0,1,0,0,0,1|2,0,0]=4 686 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Br MCULE-1264689257 [0,1,0,0,0,1|2,0,0]=4 687 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Cl MCULE-7152116575 [0,1,0,0,0,1|2,0,0]=4 688 B12R1.226 CC(=O)NCC1=CC(=CC=C1)N MCULE-6571557011 [0,1,0,0,0,1|2,0,0]=4 689 B12R1.226 CC(=O)NCC1=NC(=CC=C1)N MCULE-9117403159 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.226 CC(=O)NCC1=NC=CC(=C1)Br MCULE-1734458635 [0,1,0,0,0,1|2,0,0]=4 691 B12R1.226 CC(=O)OCC1=CC(=CC=C1)Br MCULE-4822291356 [0,1,0,0,0,1|1,0,0]=3 692 B12R1.226 CC(=O)OCC1=CC(=CC=C1)F MCULE-7638715445 [0,1,0,0,0,1|1,0,0]=3 693 B12R1.226 CC(=O)OCC1=CC=CC(=N1)Br MCULE-6883139377 [0,1,0,0,0,1|1,0,0]=3 694 B12R1.226 CC(=O)SCC1=CC=CC(=C1)I MCULE-7492884889 [0,1,0,0,0,1|1,1,0]=4 695 B12R1.226 O=C(Cl)OCC1=CC(=CC=C1)Cl MCULE-7723287716 [0,1,0,0,0,1|2,0,0]=4 696 B12R1.891 CS(=O)(=O)OCC1=CC=CC=C1 MCULE-2931213244 [0,1,0,0,0,1|2,0,0]=4 697 B12R1.891 CS(=O)(=O)OCC1=CC=CC=N1 MCULE-3565502886 [0,1,0,0,0,1|2,0,0]=4 698 B12R1.891 CS(=O)(=S)OCC1=CC=CC=C1 MCULE-9436419296 [0,1,0,0,0,1|2,0,0]=4 699 B12R1.54 CC(=O)CCC(=O)C1=CC=CO1 MCULE-6143224711 [0,1,0,0,0,1|1,0,0]=3 700 B12R1.54 CC(=O)CCC(=O)C1=CC=CS1 MCULE-7592855571 [0,1,0,0,0,1|1,1,0]=4 701 B12R1.54 CC(=O)OCC(=O)C1=CC=CO1 MCULE-6619266698 [0,1,0,0,0,1|0,0,0]=2 702 B12R1.54 CC(=O)OCC(=O)C1=CC=CS1 MCULE-1281602021 [0,1,0,0,0,1|0,1,0]=3 703 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 MCULE-3985171621 [0,1,0,0,0,1|2,0,0]=4 704 B12R1.105 CC(=O)OCCN1C=C(C=N1)Br MCULE-5189869519 [0,1,0,0,0,1|2,0,0]=4 705 B12R1.105 CC1=CN=C(O1)COCC(=O)O MCULE-2883635869 [0,1,0,0,0,1|2,0,0]=4 706 B12R1.105 CC1=NOC(=C1)COCC(=O)O MCULE-6396081725 [0,1,0,0,0,1|2,0,0]=4 707 B12R1.130 CC(=O)OCCC1=C(N=CS1)C MCULE-5764660258 [0,1,0,0,0,1|1,1,0]=4 708 B12R1.260 CN(CC(=O)O)CC1=CC=CO1 MCULE-1468459956 [0,1,0,0,0,1|2,0,0]=4 709 B12R1.260 NC(CC(=O)O)CC1=CC=CO1 MCULE-4305476704 [0,1,0,0,0,1|2,0,0]=4 710 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CO1 MCULE-2795775303 [0,1,0,0,0,1|2,0,0]=4 711 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 MCULE-3040009628 [0,1,0,0,0,1|2,0,0]=4 712 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 MCULE-6537016762 [0,1,0,0,0,1|2,0,0]=4 713 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 MCULE-7106321565 [0,1,0,0,0,1|2,0,0]=4 714 B12R1.260 O=C(O)CS(=O)CC1=CC=CO1 MCULE-1088686925 [0,1,0,0,0,1|1,1,0]=4 715 B12R1.264 C=C(C)C(=O)OCC1=CC=CO1 MCULE-2705092200 [0,1,0,0,0,1|1,0,0]=3 716 B12R1.264 CC(SCC1=CC=CO1)C(=O)O MCULE-4549363559 [0,1,0,0,0,1|1,1,0]=4 717 B12R1.477 CNC(=O)NC=CC1=CC=CO1 MCULE-9730401362 [0,1,0,0,0,1|1,0,1]=4 718 B12R1.477 COC(=O)CCCC1=CC=CS1 MCULE-3161147946 [0,1,0,0,0,1|1,1,0]=4 719 B12R1.477 COC(=O)CNCC1=CC=CO1 MCULE-5205560770 [0,1,0,0,0,1|1,0,0]=3 720 B12R1.477 COC(=O)CSCC1=CC=CO1 MCULE-9164054977 [0,1,0,0,0,1|0,1,0]=3 721 B12R1.477 COC(=O)CSCC1=CC=CS1 MCULE-6068594204 [0,1,0,0,0,1|0,2,0]=4 722 B12R1.477 CSC(=O)NN=CC1=CC=CO1 MCULE-2277950786 [0,1,0,0,0,1|1,0,1]=4 723 B12R1.477 NCC(O)COCC1=CC=CO1 MCULE-6499103979 [0,1,0,0,0,1|0,0,2]=4 724 B12R1.477 O=C(CCl)NCCC1=CC=CS1 MCULE-2813118658 [0,1,0,0,0,1|1,1,0]=4 725 B12R1.477 O=C(CO)NN=CC1=CC=CO1 MCULE-2887065164 [0,1,0,0,0,1|1,0,1]=4 726 B12R1.890 CS(=O)(=O)OCCC1=CC=CS1 MCULE-5499030541 [0,1,0,0,0,1|1,1,0]=4 727 B12R1.15 CC(NC(=O)CCl)C1=CC=CO1 MCULE-7839604461 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.15 CC(NC(=O)CCl)C1=CC=CS1 MCULE-9043652284 [0,2,0,0,0,0|1,1,0]=4 729 B12R1.15 CCC(=O)NC(C)C1=CC=CS1 MCULE-5587869093 [0,2,0,0,0,0|1,1,0]=4 730 B12R1.15 CNC(=O)CC(O)C1=CC=CS1 MCULE-3198255322 [0,2,0,0,0,0|1,1,0]=4 731 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 MCULE-9245629328 [0,2,0,0,0,0|1,0,1]=4 732 B12R1.15 COC(=O)CC(N)C1=CC=CO1 MCULE-7381031265 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.15 COC(=O)CC(N)C1=CC=CO1 MCULE-8131386004 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.15 COC(=O)CC(N)C1=CC=CS1 MCULE-2083917803 [0,2,0,0,0,0|1,1,0]=4 735 B12R1.15 COC(=O)CC(N)C1=CC=CS1 MCULE-6252355121 [0,2,0,0,0,0|1,1,0]=4 736 B12R1.15 COC(=O)C[C@@H](N)C1=CC=CN1 MCULE-3527558990 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.15 COC(=O)C[C@@H](N)C1=CC=CN1 MCULE-6414385445 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.15 COC(=O)C[C@@H](N)C1=CC=CO1 MCULE-2671802349 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.15 COC(=O)C[C@@H](N)C1=CC=CO1 MCULE-2983258408 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.15 COC(=O)C[C@@H](N)C1=CC=CS1 MCULE-1432874035 [0,2,0,0,0,0|1,1,0]=4 741 B12R1.15 COC(=O)C[C@@H](N)C1=CC=CS1 MCULE-1440420968 [0,2,0,0,0,0|1,1,0]=4 742 B12R1.15 COC(=O)C[C@H](N)C1=CC=CN1 MCULE-6293565601 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.15 COC(=O)C[C@H](N)C1=CC=CN1 MCULE-6588070134 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.15 COC(=O)C[C@H](N)C1=CC=CO1 MCULE-5962138330 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.15 COC(=O)C[C@H](N)C1=CC=CO1 MCULE-7933752993 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.15 COC(=O)C[C@H](N)C1=CC=CS1 MCULE-1292768434 [0,2,0,0,0,0|1,1,0]=4 747 B12R1.15 COC(=O)C[C@H](N)C1=CC=CS1 MCULE-1862614599 [0,2,0,0,0,0|1,1,0]=4 748 B12R1.15 COC(=O)C[C@H](N)C1=CC=CS1 MCULE-5952205048 [0,2,0,0,0,0|1,1,0]=4 749 B12R1.15 COC(=O)C[C@H](N)C1=CC=CS1 MCULE-6427624402 [0,2,0,0,0,0|1,1,0]=4 750 B12R1.15 O=C(CCl)NC(=O)C1=CC=CO1 MCULE-2758534721 [0,2,0,0,0,0|1,0,1]=4 751 B12R1.26 CC1=CC=C(S1)CNC(=O)CCl MCULE-7867283420 [0,2,0,0,0,0|1,1,0]=4 752 B12R1.26 CCC(=O)NCC1=CC(=NO1)C MCULE-4666721775 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.26 CNC(=O)NCC1=CC=C(S1)Br MCULE-4646451719 [0,2,0,0,0,0|1,1,0]=4 754 B12R1.26 CNC(=S)NCC1=CC=C(O1)C MCULE-6786753900 [0,2,0,0,0,0|1,1,0]=4 755 B12R1.26 COC(=O)C=CC1=CC=C(O1)Br MCULE-2606508894 [0,2,0,0,0,0|1,0,1]=4 756 B12R1.26 COC(=O)CCC1=CC(=NO1)Br MCULE-3984304220 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.26 COC(=O)CCC1=CC(=NO1)Cl MCULE-1614969201 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.26 O=C(CCl)NCC1=CC(=CS1)Br MCULE-4913625993 [0,2,0,0,0,0|1,1,0]=4 759 B12R1.26 O=C(CCl)NCC1=CC=C(S1)Br MCULE-7482235729 [0,2,0,0,0,0|1,1,0]=4 760 B12R1.26 O=C(CCl)NCC1=CC=C(S1)Cl MCULE-2903466496 [0,2,0,0,0,0|1,1,0]=4 761 B12R1.51 CCNC(=O)NCC1=CC=CO1 MCULE-6559693536 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.51 CCNC(=O)OCC1=COC=C1 MCULE-5690127424 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.51 CCNC(=S)NCC1=CC=CO1 MCULE-3117463596 [0,2,0,0,0,0|1,1,0]=4 764 B12R1.51 CCOC(=O)/C=C/C1=CC=CO1 MCULE-7171775414 [0,2,0,0,0,0|1,0,1]=4 765 B12R1.51 CCOC(=O)C=CC1=CC=CO1 MCULE-9891032976 [0,2,0,0,0,0|1,0,1]=4 766 B12R1.51 CCOC(=O)CCC1=CC=CN1 MCULE-8213228851 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.51 CCOC(=O)CCC1=CC=CO1 MCULE-5340258921 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.51 CNCC(=O)NCC1=CC=CO1 MCULE-6693081414 [0,2,0,0,0,0|1,0,0]=3 769 B12R1.51 CNCC(=O)NCC1=CC=CO1 MCULE-8188098584 [0,2,0,0,0,0|1,0,0]=3 770 B12R1.51 CNCC(=O)NCC1=CC=CS1 MCULE-4507833199 [0,2,0,0,0,0|1,1,0]=4 771 B12R1.51 CNCC(=O)NCC1=CC=CS1 MCULE-5352648006 [0,2,0,0,0,0|1,1,0]=4 772 B12R1.51 N#CCC(=O)NCC1=CC=CO1 MCULE-2709416470 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.51 N#CCC(=O)NCC1=CC=CS1 MCULE-9120110229 [0,2,0,0,0,0|1,1,0]=4 774 B12R1.51 NCCC(=O)NCC1=CC=CO1 MCULE-3975764461 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.51 NCCC(=O)NCC1=CC=CO1 MCULE-8814124885 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.51 O=C(CCBr)NCC1=CC=CS1 MCULE-8045641035 [0,2,0,0,0,0|1,1,0]=4 777 B12R1.51 O=C(CCCl)NCC1=CC=CO1 MCULE-5813534472 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.51 O=C(CCCl)NCC1=CC=CS1 MCULE-1033111925 [0,2,0,0,0,0|1,1,0]=4 779 B12R1.108 CN(CC1=CC=CO1)C(=O)CCl MCULE-8288876812 [0,2,0,0,0,0|1,0,0]=3 780 B12R1.108 CN(CC1=CC=CO1)C(=O)CN MCULE-5105467490 [0,2,0,0,0,0|1,0,0]=3 781 B12R1.108 CN(CC1=CC=CS1)C(=O)CCl MCULE-9436891343 [0,2,0,0,0,0|1,1,0]=4 782 B12R1.108 CNC(=O)N(C)CC1=CC=CS1 MCULE-8080274290 [0,2,0,0,0,0|1,1,0]=4 783 B12R1.108 COC(=O)C(N)CC1=CC=CO1 MCULE-7425094178 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.108 COC(=O)C(N)CC1=CC=CS1 MCULE-6982143720 [0,2,0,0,0,0|1,1,0]=4 785 B12R1.108 COC(=O)C(N)CC1=CC=CS1 MCULE-8387363612 [0,2,0,0,0,0|1,1,0]=4 786 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 MCULE-4575656185 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 MCULE-7970765227 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 MCULE-2835282356 [0,2,0,0,0,0|1,1,0]=4 789 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 MCULE-3294290797 [0,2,0,0,0,0|1,1,0]=4 790 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 MCULE-5652908593 [0,2,0,0,0,0|1,1,0]=4 791 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 MCULE-9022594551 [0,2,0,0,0,0|1,1,0]=4 792 B12R1.108 COC(=O)[C@H](N)CC1=CC=CS1 MCULE-4014114104 [0,2,0,0,0,0|1,1,0]=4 793 B12R1.196 CCS(=O)(=O)NCC1=CC=CO1 MCULE-1701090255 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.353 CC1=C(SC=C1)CNC(=O)CCl MCULE-5292644167 [0,2,0,0,0,0|1,1,0]=4 795 B12R1.353 CC1=C(SC=C1)CNC(=O)CN MCULE-2677260526 [0,2,0,0,0,0|1,1,0]=4 796 B12R1.353 CNC(=O)OCC1=NC=CN1C MCULE-9216719442 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.104 CC1=CC=C(O1)CC(C)C(=O)O MCULE-9134789589 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.120 NC(C(=O)O)C(O)C1=CC=CO1 MCULE-8288781221 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.298 CCC(CC1=CC=CO1)C(=O)O MCULE-7903666102 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.298 N#CC(CC1=CC=CO1)C(=O)N MCULE-3746985232 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.59 CC(=O)OCC1=CC=C(O1)C=O MCULE-2382269887 [0,2,0,0,0,0|0,0,0]=2 802 B12R1.59 CCC1=CC=C(O1)CCC(=O)O MCULE-3027738741 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.103 C=C(C)C[C@@H](N)C1=CC=C(O1)Br MCULE-2323974712 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.103 C=C(C)C[C@@H](N)C1=CC=C(O1)Br MCULE-6648014187 [0,2,0,0,0,0|2,0,0]=4 805 B12R1.103 C=C(C)C[C@@H](N)C1=CC=C(O1)C MCULE-2964595863 [0,2,0,0,0,0|2,0,0]=4 806 B12R1.103 C=C(C)C[C@@H](N)C1=CC=C(O1)C MCULE-8262167696 [0,2,0,0,0,0|2,0,0]=4 807 B12R1.103 C=C(C)C[C@@H](N)C1=CC=C(O1)Cl MCULE-4603702598 [0,2,0,0,0,0|2,0,0]=4 808 B12R1.103 C=C(C)C[C@@H](N)C1=CC=C(O1)Cl MCULE-8156558557 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.103 C=C(C)C[C@H](N)C1=CC=C(O1)Br MCULE-4494221429 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.103 C=C(C)C[C@H](N)C1=CC=C(O1)Br MCULE-6535379948 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.103 C=C(C)C[C@H](N)C1=CC=C(O1)C MCULE-1772822642 [0,2,0,0,0,0|2,0,0]=4 812 B12R1.103 C=C(C)C[C@H](N)C1=CC=C(O1)C MCULE-3503866244 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.103 C=C(C)C[C@H](N)C1=CC=C(O1)Cl MCULE-1990842171 [0,2,0,0,0,0|2,0,0]=4 814 B12R1.103 C=C(C)C[C@H](N)C1=CC=C(O1)Cl MCULE-6316948253 [0,2,0,0,0,0|2,0,0]=4 815 B12R1.103 CC1=CC=C(O1)C(N)CC(=O)O MCULE-8580844075 [0,2,0,0,0,0|2,0,0]=4 816 B12R1.103 NC(CC(=O)O)C1=CC=C(O1)Br MCULE-7021694299 [0,2,0,0,0,0|2,0,0]=4 817 B12R1.110 O=C(O)CCC1=CC(=C(O1)Cl)Br MCULE-9794877177 [0,2,0,0,0,0|2,0,0]=4 818 B12R1.870 CC(=O)OCC1=C(C(=NO1)C)Br MCULE-1415185231 [0,2,0,0,0,0|1,0,0]=3 819 B12R1.476 CC(=O)OC(C#N)C1=CC=CO1 MCULE-9981261571 [0,2,0,0,0,0|0,0,0]=2 820 B12R1.476 CCC(NC(=O)C)C1=CC=CS1 MCULE-1894130095 [0,2,0,0,0,0|1,1,0]=4 821 B10R1.18 CC(=O)OC1=CC=CC=C1 MCULE-3760278339 [0,0,1,1,0,0|1,0,1]=4 822 B10R1.18 CC(=O)OC1=CC=CC=C1 MCULE-9633533770 [0,0,1,1,0,0|1,0,1]=4 823 B10R1.18 CC(=O)OC1=CC=CN=C1 MCULE-6451249272 [0,0,1,1,0,0|1,0,1]=4 824 B10R1.61 CC(=O)C1=C(C=CC=C1)O MCULE-6901537094 [0,0,1,1,0,0|1,0,1]=4 825 B10R1.61 CC(=O)C1=NC=CC=C1O MCULE-2705814075 [0,0,1,1,0,0|2,0,0]=4 826 B10R1.113 CC(=O)C1=CC=CC(=C1)O MCULE-8431429231 [0,0,1,1,0,0|1,0,1]=4 827 B10R2.7 C1=CC2=C(O1)CCNC2 MCULE-3906415311 [1,0,0,1,0,0|2,0,0]=4 828 B10R2.7 C1=CC2=C(O1)CNCC2 MCULE-6714828018 [1,0,0,1,0,0|1,0,1]=4 829 B10R2.7 C1=CC2=C(O1)CNCC2 MCULE-8886080987 [1,0,0,1,0,0|1,0,1]=4 830 B10R2.7 C1=CCC2=C(C1)C=CN2 MCULE-4118048419 [1,0,0,1,0,0|2,0,0]=4 831 B10R2.32 O=C1CCC2=C1C=CS2 MCULE-2879720358 [1,0,0,1,0,0|1,1,0]=4 832 B10R2.32 O=C1NCC2=C1C=CS2 MCULE-6798489257 [1,0,0,1,0,0|1,1,0]=4 833 B10R2.136 C1=COC(=C1)[C@@H]2CCN2 MCULE-1549041412 [1,0,0,1,0,0|1,0,1]=4 834 B10R2.136 C1=COC(=C1)[C@@H]2CCN2 MCULE-7339806108 [1,0,0,1,0,0|1,0,1]=4 835 B10R2.136 C1=COC(=C1)[C@H]2CCN2 MCULE-3105420001 [1,0,0,1,0,0|1,0,1]=4 836 B10R2.136 C1=COC(=C1)[C@H]2CCN2 MCULE-6072597527 [1,0,0,1,0,0|1,0,1]=4 837 B10R2.2 O=C1CC2=C(C1)NC=C2 MCULE-6737209084 [0,0,0,1,1,0|1,0,0]=3 838 B10R2.2 O=C1CC2=CC=CN2C1 MCULE-2170204532 [0,0,0,1,1,0|1,0,0]=3 839 B10R2.2 O=C1CC2=CC=NN2C1 MCULE-4783279364 [0,0,0,1,1,0|2,0,0]=4 840 B10R2.71 O=C1CC2C=CC(C1)O2 MCULE-4127840431 [0,0,0,1,1,0|0,0,2]=4 841 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 MCULE-6796648829 [0,0,0,1,0,1|2,0,0]=4 842 B12R2.22 O=C1CC(C1)C2=CC=CN=C2 MCULE-4428408766 [0,0,0,1,0,1|2,0,0]=4 843 B12R2.22 O=C1CC(C1)C2=CC=NC=C2 MCULE-4667895627 [0,0,0,1,0,1|2,0,0]=4 844 B12R2.22 O=C1CC(C1)C2=CC=NC=C2 MCULE-8264377270 [0,0,0,1,0,1|2,0,0]=4 845 B12R2.22 O=C1CC(C1)C2=CN=CC=C2 MCULE-9165131942 [0,0,0,1,0,1|2,0,0]=4 846 B12R2.22 O=C1CC(C1)C2=NC=CC=C2 MCULE-2228364883 [0,0,0,1,0,1|2,0,0]=4 847 B12R2.22 O=C1CC(C1)C2=NC=CC=C2 MCULE-7989460331 [0,0,0,1,0,1|2,0,0]=4 848 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 MCULE-8124490179 [0,0,0,1,0,1|2,0,0]=4 849 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 MCULE-7313339331 [0,0,0,1,0,1|2,0,0]=4 850 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 MCULE-5496808535 [0,0,0,1,0,1|1,0,0]=3 851 B12R2.24 O=C1CC2=C(C=CN=C2)CN1 MCULE-4785760723 [0,0,0,1,0,1|2,0,0]=4 852 B12R2.24 O=C1CC2=C(CN1)N=CC=C2 MCULE-6855789287 [0,0,0,1,0,1|2,0,0]=4 853 B12R2.24 O=C1CC2=CC=NC=C2CN1 MCULE-3824817475 [0,0,0,1,0,1|2,0,0]=4 854 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 MCULE-8244015073 [0,0,0,1,0,1|2,0,0]=4 855 B12R2.24 O=C1CCC2=C(C1)C=CC=N2 MCULE-8996345423 [0,0,0,1,0,1|2,0,0]=4 856 B12R2.24 O=C1CCC2=C(C1)C=NC=C2 MCULE-5218309607 [0,0,0,1,0,1|2,0,0]=4 857 B12R2.24 O=C1CCC2=C(C1)N=CC=C2 MCULE-2654226391 [0,0,0,1,0,1|2,0,0]=4 858 B12R2.24 O=C1CCC2=CC=CN=C2C1 MCULE-7195451978 [0,0,0,1,0,1|2,0,0]=4 859 B12R2.24 O=C1CCC2=NC=NC=C2C1 MCULE-3355809401 [0,0,0,1,0,1|2,0,0]=4 860 B12R2.24 O=C1C[N+]2=C(C=CC=C2)CO1 MCULE-2844181305 [0,0,0,1,0,1|1,0,0]=3 861 B12R2.24 O=C1C[N+]2=C(C=CC=C2)CO1 MCULE-6820277024 [0,0,0,1,0,1|1,0,0]=3 862 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 MCULE-4392348953 [0,0,0,1,0,1|2,0,0]=4 863 B12R2.24 O=C1NC2=C(C=CN=C2)CO1 MCULE-5167466851 [0,0,0,1,0,1|2,0,0]=4 864 B12R2.24 O=C1NC2=C(C=NC=C2)CO1 MCULE-1078017586 [0,0,0,1,0,1|2,0,0]=4 865 B12R2.24 O=C1NC2=NC=CC=C2CO1 MCULE-2420929936 [0,0,0,1,0,1|2,0,0]=4 866 B12R2.6 O=C1CC(=NN1)C2=CC=CO2 MCULE-2852463328 [0,0,0,1,0,1|1,0,1]=4 867 B12R2.6 O=C1CC(=NO1)C2=CC=CO2 MCULE-6975597952 [0,0,0,1,0,1|0,0,1]=3 868 B12R2.6 O=C1CC(CN1)C2=CC=CO2 MCULE-9948286775 [0,0,0,1,0,1|1,0,0]=3 869 B12R2.6 O=C1CC(CN1)C2=CC=CS2 MCULE-2883901120 [0,0,0,1,0,1|1,1,0]=4 870 B12R2.6 O=C1CSC(C1)C2=CC=CS2 MCULE-8397491354 [0,0,0,1,0,1|0,2,0]=4 871 B12R2.6 O=C1CSC(N1)C2=CC=CO2 MCULE-6000207609 [0,0,0,1,0,1|1,1,0]=4 872 B12R2.6 O=C1NC(CO1)C2=CC=CS2 MCULE-3820219614 [0,0,0,1,0,1|1,1,0]=4 873 B12R2.6 O=C1NC[C@@H](N1)C2=CC=CO2 MCULE-9502653425 [0,0,0,1,0,1|2,0,0]=4 874 B12R2.6 O=C1NC[C@H](N1)C2=CC=CO2 MCULE-9527963184 [0,0,0,1,0,1|2,0,0]=4 875 B12R2.6 O=C1N[C@@H](CO1)C2=CC=CN2 MCULE-7540212838 [0,0,0,1,0,1|2,0,0]=4 876 B12R2.6 O=C1N[C@@H](CO1)C2=CC=CO2 MCULE-7281099050 [0,0,0,1,0,1|1,0,0]=3 877 B12R2.6 O=C1N[C@@H](CO1)C2=CC=CS2 MCULE-1255447608 [0,0,0,1,0,1|1,1,0]=4 878 B12R2.6 O=C1N[C@H](CO1)C2=CC=CN2 MCULE-2195210224 [0,0,0,1,0,1|2,0,0]=4 879 B12R2.6 O=C1N[C@H](CO1)C2=CC=CO2 MCULE-8645453758 [0,0,0,1,0,1|1,0,0]=3 880 B12R2.6 O=C1N[C@H](CO1)C2=CC=CS2 MCULE-8480457290 [0,0,0,1,0,1|1,1,0]=4 881 B12R2.114 O=C1CCCC2=C(C1)C=CS2 MCULE-7405320669 [0,0,0,1,0,1|1,1,0]=4 882 B12R2.1354 CC(=O)C1CC1C2=CC=CO2 MCULE-2239066013 [0,0,0,1,0,1|1,0,0]=3 883 B12R2.1354 CC(=O)C1CC1C2=CC=CS2 MCULE-7550767802 [0,0,0,1,0,1|1,1,0]=4 884 B12R2.1354 CC(=O)[C@@H]1C[C@H]1C2=CC=CS2 MCULE-4200702765 [0,0,0,1,0,1|1,1,0]=4 885 B12R2.1354 O=C(O)C1CC1C2=CC=CO2 MCULE-6611007978 [0,0,0,1,0,1|2,0,0]=4 886 B12R2.2383 C1=COC(=C1)COCC2CO2 MCULE-9045632067 [0,0,0,1,0,1|0,0,2]=4 887 B12R2.132 CN1C=NC2=C1CC(=O)OC2 MCULE-6598590056 [0,1,0,1,0,0|2,0,0]=4 888 B8R1.7 C=C(C)C1=CC=CO1 MCULE-6798465856 [0,0,0,0,2,0|1,0,0]=3 889 B8R1.7 C=C(C)C1=CC=CS1 MCULE-1440811307 [0,0,0,0,2,0|1,1,0]=4 890 B8R1.7 CC(=C1C=CC=C1)C MCULE-1513653645 [0,0,0,0,2,0|2,0,0]=4 891 B8R1.7 CC(=C1C=CC=C1)O MCULE-1295162717 [0,0,0,0,2,0|1,0,1]=4 892 B8R1.7 CC(=C1C=CC=C1)O MCULE-5249133210 [0,0,0,0,2,0|1,0,1]=4 893 B8R1.7 CC(=O)C1=CC=CN1 MCULE-8111376055 [0,0,0,0,2,0|1,0,0]=3 894 B8R1.7 CC(=O)C1=CC=CO1 MCULE-6389695813 [0,0,0,0,2,0|0,0,0]=2 895 B8R1.7 CC(=O)C1=CC=CS1 MCULE-7771755380 [0,0,0,0,2,0|0,1,0]=3 896 B8R1.7 CC(=O)C1=CC=NO1 MCULE-6400530220 [0,0,0,0,2,0|1,0,0]=3 897 B8R1.7 CC(=O)C1=CC=NO1 MCULE-7437421488 [0,0,0,0,2,0|1,0,0]=3 898 B8R1.7 CC(=O)C1=CC=NS1 MCULE-6790489481 [0,0,0,0,2,0|1,1,0]=4 899 B8R1.7 CC(=O)C1=CN=CO1 MCULE-6114499046 [0,0,0,0,2,0|1,0,0]=3 900 B8R1.7 CC(=O)C1=CN=CS1 MCULE-5771579983 [0,0,0,0,2,0|1,1,0]=4 901 B8R1.7 CC(=O)C1=CNC=C1 MCULE-6298298881 [0,0,0,0,2,0|2,0,0]=4 902 B8R1.7 CC(=O)C1=CNC=N1 MCULE-1707621771 [0,0,0,0,2,0|2,0,0]=4 903 B8R1.7 CC(=O)C1=CNC=N1 MCULE-5046690186 [0,0,0,0,2,0|2,0,0]=4 904 B8R1.7 CC(=O)C1=COC=C1 MCULE-5791648334 [0,0,0,0,2,0|2,0,0]=4 905 B8R1.7 CC(=O)C1=COC=N1 MCULE-4496552775 [0,0,0,0,2,0|2,0,0]=4 906 B8R1.7 CC(=O)C1=CSC=C1 MCULE-3092440506 [0,0,0,0,2,0|2,0,0]=4 907 B8R1.7 CC(=O)C1=CSC=N1 MCULE-4510751071 [0,0,0,0,2,0|2,0,0]=4 908 B8R1.7 CC(=O)C1=C[Se]C=C1 MCULE-3604526457 [0,0,0,0,2,0|2,0,0]=4 909 B8R1.7 CC(=O)C1=NC=CN1 MCULE-5563475674 [0,0,0,0,2,0|2,0,0]=4 910 B8R1.7 CC(=O)C1=NC=CN1 MCULE-8301653421 [0,0,0,0,2,0|2,0,0]=4 911 B8R1.7 CC(=O)C1=NC=CO1 MCULE-4439017055 [0,0,0,0,2,0|1,0,0]=3 912 B8R1.7 CC(=O)C1=NC=CS1 MCULE-8609457131 [0,0,0,0,2,0|1,1,0]=4 913 B8R1.7 CC(=O)C1=NNC=C1 MCULE-1764885364 [0,0,0,0,2,0|2,0,0]=4 914 B8R1.7 CC(=O)C1=NNC=C1 MCULE-2223319558 [0,0,0,0,2,0|2,0,0]=4 915 B8R1.7 CC(=O)C1=NOC=C1 MCULE-5515132953 [0,0,0,0,2,0|2,0,0]=4 916 B8R1.7 CC(=O)C1=NSC=C1 MCULE-3804368348 [0,0,0,0,2,0|2,0,0]=4 917 B8R1.7 CC(=O)N1C=CC=N1 MCULE-4064811074 [0,0,0,0,2,0|2,0,0]=4 918 B8R1.7 CC(C)C1=CC=CO1 MCULE-5006919612 [0,0,0,0,2,0|1,0,1]=4 919 B8R1.7 CC(N)C1=CC=CO1 MCULE-6881825521 [0,0,0,0,2,0|1,0,1]=4 920 B8R1.7 CC(N)C1=CC=CO1 MCULE-9729112122 [0,0,0,0,2,0|1,0,1]=4 921 B8R1.7 CC(O)C1=CC=CO1 MCULE-3593974083 [0,0,0,0,2,0|0,0,2]=4 922 B8R1.7 CC(O)C1=CC=CO1 MCULE-8955975517 [0,0,0,0,2,0|0,0,2]=4 923 B8R1.7 CC(S)C1=CC=CO1 MCULE-2817020417 [0,0,0,0,2,0|0,1,1]=4 924 B8R1.7 C[C@@H](N)C1=CC=CO1 MCULE-4442301514 [0,0,0,0,2,0|1,0,1]=4 925 B8R1.7 C[C@@H](N)C1=CC=CO1 MCULE-4568819554 [0,0,0,0,2,0|1,0,1]=4 926 B8R1.7 C[C@@H](N)C1=CC=CO1 MCULE-6015348077 [0,0,0,0,2,0|1,0,1]=4 927 B8R1.7 C[C@@H](N)C1=CC=CO1 MCULE-8752089038 [0,0,0,0,2,0|1,0,1]=4 928 B8R1.7 C[C@@H](O)C1=CC=CO1 MCULE-3160995315 [0,0,0,0,2,0|0,0,2]=4 929 B8R1.7 C[C@@H](O)C1=CC=CO1 MCULE-5913992407 [0,0,0,0,2,0|0,0,2]=4 930 B8R1.7 C[C@H](N)C1=CC=CO1 MCULE-5162994771 [0,0,0,0,2,0|1,0,1]=4 931 B8R1.7 C[C@H](N)C1=CC=CO1 MCULE-6401390630 [0,0,0,0,2,0|1,0,1]=4 932 B8R1.7 C[C@H](N)C1=CC=CO1 MCULE-7687564009 [0,0,0,0,2,0|1,0,1]=4 933 B8R1.7 C[C@H](N)C1=CC=CO1 MCULE-9994511303 [0,0,0,0,2,0|1,0,1]=4 934 B8R1.7 C[C@H](O)C1=CC=CO1 MCULE-4636464749 [0,0,0,0,2,0|0,0,2]=4 935 B8R1.7 N=C(N)C1=CC=CO1 MCULE-1625490857 [0,0,0,0,2,0|2,0,0]=4 936 B8R1.7 N=C(N)C1=CC=CO1 MCULE-4196389982 [0,0,0,0,2,0|2,0,0]=4 937 B8R1.7 NC(=O)C1=CC=CN1 MCULE-4462347914 [0,0,0,0,2,0|2,0,0]=4 938 B8R1.7 NC(=O)C1=CC=CO1 MCULE-1387924424 [0,0,0,0,2,0|1,0,0]=3 939 B8R1.7 NC(=O)C1=CC=CS1 MCULE-2370255848 [0,0,0,0,2,0|1,1,0]=4 940 B8R1.7 NC(=O)C1=CC=NO1 MCULE-2775036033 [0,0,0,0,2,0|2,0,0]=4 941 B8R1.7 NC(=O)C1=CN=CO1 MCULE-1434757715 [0,0,0,0,2,0|2,0,0]=4 942 B8R1.7 NC(=O)C1=NC=CO1 MCULE-7785358369 [0,0,0,0,2,0|2,0,0]=4 943 B8R1.7 NC(=S)C1=CC=CO1 MCULE-6700283664 [0,0,0,0,2,0|1,1,0]=4 944 B8R1.7 O=C(Cl)C1=CC=CN1 MCULE-7026539670 [0,0,0,0,2,0|2,0,0]=4 945 B8R1.7 O=C(Cl)C1=CC=CO1 MCULE-3397677348 [0,0,0,0,2,0|1,0,0]=3 946 B8R1.7 O=C(Cl)C1=CC=CS1 MCULE-9726042533 [0,0,0,0,2,0|1,1,0]=4 947 B8R1.7 O=C(Cl)C1=CC=NO1 MCULE-4921347925 [0,0,0,0,2,0|2,0,0]=4 948 B8R1.7 O=C(Cl)C1=CN=CO1 MCULE-8427544910 [0,0,0,0,2,0|2,0,0]=4 949 B8R1.7 O=C(O)C1=CC=CN1 MCULE-4915329170 [0,0,0,0,2,0|2,0,0]=4 950 B8R1.7 O=C(O)C1=CC=CO1 MCULE-5132845727 [0,0,0,0,2,0|1,0,0]=3 951 B8R1.7 O=C(O)C1=CC=CS1 MCULE-4461858345 [0,0,0,0,2,0|1,1,0]=4 952 B8R1.7 O=C(O)C1=CC=C[Se]1 MCULE-9543908979 [0,0,0,0,2,0|1,1,0]=4 953 B8R1.7 O=C(O)C1=CC=NO1 MCULE-4061809739 [0,0,0,0,2,0|2,0,0]=4 954 B8R1.7 O=C(O)C1=CN=CO1 MCULE-9125638838 [0,0,0,0,2,0|2,0,0]=4 955 B8R1.7 O=C(O)C1=NC=CO1 MCULE-3527449990 [0,0,0,0,2,0|2,0,0]=4 956 B8R1.7 O=C([O-])C1=CC=CO1 MCULE-6949656709 [0,0,0,0,2,0|1,0,0]=3 957 B8R1.7 O=C([O-])C1=CC=CO1 MCULE-9985902220 [0,0,0,0,2,0|1,0,0]=3 958 B8R1.7 O=C([O-])C1=CC=CS1 MCULE-8307938812 [0,0,0,0,2,0|1,1,0]=4 959 B8R1.7 O=C([O-])C1=NC=CO1 MCULE-3161815399 [0,0,0,0,2,0|2,0,0]=4 960 B8R1.7 O=N(=O)C1=CC=CO1 MCULE-8301724234 [0,0,0,0,2,0|2,0,0]=4 961 B10R1.17 C=COCC1=CC=CC=C1 MCULE-9410873886 [1,0,0,0,0,1|1,0,1]=4 962 B10R1.17 CCOCC1=CC=CC=C1 MCULE-6632710098 [1,0,0,0,0,1|1,0,1]=4 963 B10R1.17 CNOCC1=CC=CC=C1 MCULE-2953206241 [1,0,0,0,0,1|2,0,0]=4 964 B10R1.17 CNOCC1=CC=CC=C1 MCULE-3239148775 [1,0,0,0,0,1|2,0,0]=4 965 B10R1.17 N=COCC1=CC=CC=C1 MCULE-2308132988 [1,0,0,0,0,1|2,0,0]=4 966 B10R1.17 N=COCC1=CC=CC=C1 MCULE-5990786883 [1,0,0,0,0,1|2,0,0]=4 967 B10R1.17 O=CCCC1=CC=CC=C1 MCULE-1570695665 [1,0,0,0,0,1|2,0,0]=4 968 B10R1.17 O=CCCC1=CC=CC=N1 MCULE-5589137170 [1,0,0,0,0,1|2,0,0]=4 969 B10R1.17 O=CCCC1=CC=CN=C1 MCULE-2958423624 [1,0,0,0,0,1|2,0,0]=4 970 B10R1.17 O=CCCC1=CC=NC=C1 MCULE-3161870083 [1,0,0,0,0,1|2,0,0]=4 971 B10R1.17 O=CCCC1=NC=NC=C1 MCULE-9867675443 [1,0,0,0,0,1|2,0,0]=4 972 B10R1.17 O=CNCC1=CC=CC=C1 MCULE-4418545200 [1,0,0,0,0,1|2,0,0]=4 973 B10R1.17 O=CNCC1=CN=CC=C1 MCULE-7263791001 [1,0,0,0,0,1|2,0,0]=4 974 B10R1.17 O=CNCC1=NC=CC=C1 MCULE-8606919189 [1,0,0,0,0,1|2,0,0]=4 975 B10R1.17 O=COCC1=CC=CC=C1 MCULE-1298671349 [1,0,0,0,0,1|1,0,0]=3 976 B12R1.252 CC(=O)CCCC1=CC=CC=C1 MCULE-2310771684 [0,0,0,0,0,2|2,0,0]=4 977 B12R1.252 CC(=O)CCCC1=CC=CC=N1 MCULE-1269205900 [0,0,0,0,0,2|2,0,0]=4 978 B12R1.252 CC(=O)CCCC1=CC=CC=N1 MCULE-8865358008 [0,0,0,0,0,2|2,0,0]=4 979 B12R1.252 CC(=O)CCCC1=CN=CC=C1 MCULE-4927787423 [0,0,0,0,0,2|2,0,0]=4 980 B12R1.252 CC(=O)CCSC1=CC=CC=C1 MCULE-5300990067 [0,0,0,0,0,2|2,0,0]=4 981 B12R1.252 CC(=O)CCSC1=CC=CC=N1 MCULE-1216484037 [0,0,0,0,0,2|2,0,0]=4 982 B12R1.252 CC(=O)CCSC1=[NH+]C=CC=N1 MCULE-3421792835 [0,0,0,0,0,2|2,0,0]=4 983 B12R1.252 CC(=O)CCSC1=[NH+]C=CC=N1 MCULE-6958369305 [0,0,0,0,0,2|2,0,0]=4 984 B12R1.252 CC(=O)COCC1=CC=CC=C1 MCULE-4274476993 [0,0,0,0,0,2|1,0,0]=3 985 B12R1.252 CC(=O)CSCC1=CC=CC=C1 MCULE-4925526123 [0,0,0,0,0,2|1,1,0]=4 986 B12R1.252 CC(=O)NCCC1=CC=CC=C1 MCULE-5686427771 [0,0,0,0,0,2|2,0,0]=4 987 B12R1.252 CC(=O)NCCC1=CC=NC=C1 MCULE-9746342115 [0,0,0,0,0,2|2,0,0]=4 988 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MCULE-2877884154 [0,0,0,0,0,2|1,0,0]=3 989 B12R1.252 CC(=O)SCCC1=CC=NC=C1 MCULE-4317238290 [0,0,0,0,0,2|1,1,0]=4 990 B12R1.252 NC(=O)COCC1=CC=CC=C1 MCULE-2043276412 [0,0,0,0,0,2|2,0,0]=4 991 B12R1.252 NC(=O)NOCC1=CC=CC=C1 MCULE-4552434209 [0,0,0,0,0,2|2,0,0]=4 992 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 MCULE-5801667907 [0,0,0,0,0,2|2,0,0]=4 993 B12R1.252 O=C(Cl)OCCC1=CC=CC=C1 MCULE-3585566884 [0,0,0,0,0,2|2,0,0]=4 994 B12R1.252 O=C(O)COCC1=CC=CC=C1 MCULE-7716016814 [0,0,0,0,0,2|2,0,0]=4 995 B12R1.252 O=C(O)COCC1=CC=NC=C1 MCULE-1365429527 [0,0,0,0,0,2|2,0,0]=4 996 B12R1.252 O=C(O)COCC1=CN=CC=C1 MCULE-8341575448 [0,0,0,0,0,2|2,0,0]=4 997 B12R1.252 O=C(O)COCC1=NC=CC=C1 MCULE-2623120562 [0,0,0,0,0,2|2,0,0]=4 998 B12R1.252 O=C(O)COCC1=NC=CC=C1 MCULE-9421727381 [0,0,0,0,0,2|2,0,0]=4 999 B12R1.255 CC(=CCNCC1=CC=CO1)Cl MCULE-2783783119 [0,0,0,0,0,2|2,0,0]=4 1000 B12R1.255 CC(=CCNCC1=CC=CO1)Cl MCULE-5841805839 [0,0,0,0,0,2|2,0,0]=4 1001 B12R1.255 NC(=O)CCNCC1=CC=CO1 MCULE-2092426602 [0,0,0,0,0,2|2,0,0]=4 1002 B12R1.255 NC(=O)CCNCC1=CC=CO1 MCULE-8839298113 [0,0,0,0,0,2|2,0,0]=4 1003 B12R1.255 O=C(O)C=CSCC1=CC=CO1 MCULE-4132561770 [0,0,0,0,0,2|1,1,0]=4 1004 B12R1.255 O=C(O)COCCC1=CC=CS1 MCULE-1018324703 [0,0,0,0,0,2|1,1,0]=4 1005 B12R1.255 O=C(O)CON=CC1=CC=CO1 MCULE-3611216709 [0,0,0,0,0,2|1,0,1]=4