0 B12R1.75 C=C(C)CC1=C(C=CC=C1)OC MCULE-3464380237 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.75 CC(C)CC1=C(C=CC=C1)C#N MCULE-4611666356 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.75 CC(C)CC1=C(C=CC=C1)C=O MCULE-5851902292 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.75 CC(C)CC1=C(C=CC=C1)CBr MCULE-6194152264 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.75 CC(C)CC1=C(C=CC=C1)CCl MCULE-2488459197 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.75 CC(C)CC1=C(C=CC=C1)CN MCULE-1007375617 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.75 CC(C)CC1=C(C=CC=C1)CO MCULE-3403146095 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.75 CC(C)CC1=CC=CC=C1CN MCULE-3193324379 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.75 CC(C)CC1=NC=CC=C1CO MCULE-6583592334 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.75 CC(C)NC1=C(C=CC=N1)C#N MCULE-8527996493 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.75 CC(C)NC1=NC=CC=C1CN MCULE-1851102677 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.75 CC(C)NC1=NC=CC=C1CN MCULE-2804958112 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.75 CC(C)OC1=C(C=CC=N1)C#N MCULE-6277880769 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.75 CC(C)OC1=C(C=CC=N1)C=O MCULE-4052924627 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.75 CC(C)OC1=C(C=CC=N1)CN MCULE-8090958389 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.75 CC(C)OC1=CC=CN=C1C#N MCULE-5762716661 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.75 CC(C)OC1=CC=CN=C1C=O MCULE-8032401820 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.75 CC(C)OC1=NC=CC=C1CCl MCULE-4019394017 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.75 CC(C)OC1=NC=CC=C1CN MCULE-7394708307 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.75 CC(C)OC1=NC=CC=C1CO MCULE-1392802970 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.75 CC(C)SC1=C(C=CC=N1)CO MCULE-4400205210 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.75 CCC1=C(C=CC=C1)CC(C)O MCULE-6908750785 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.75 CCC1=CC=CC=C1SC(C)C MCULE-5975078077 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.75 COC1=C(C=CC=C1)CC(C)N MCULE-4586512912 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.75 COC1=C(C=CC=C1)CC(C)N MCULE-9467872310 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.75 COC1=C(C=CC=C1)CC(C)O MCULE-4641880068 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.75 COC1=C(C=CC=C1)CN(C)N MCULE-1518278289 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.75 COC1=C(C=CC=C1)C[C@H](C)N MCULE-6351326015 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.75 COC1=C(C=CC=C1)NC(C)C MCULE-9508973317 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.75 COC1=C(N=CC=C1)CC(=O)O MCULE-1621150813 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.75 COC1=C(N=CC=C1)CC(=O)O MCULE-5451017286 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.75 COC1=CC=CC=C1CC(=O)C MCULE-9000250723 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.75 COC1=CC=CC=C1CN(C)C MCULE-2327260175 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.75 COC1=CC=CC=C1C[C@@H](C)O MCULE-7229707446 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.75 COC1=CC=CC=C1SC(C)C MCULE-9065366831 [0,0,0,0,0,0|3,0,0]=3 35 B12R1.75 COC1=CC=CN=C1CC(=O)[O-] MCULE-3124017247 [0,0,0,0,0,0|3,0,1]=4 36 B12R1.75 COC1=NC=CC=C1CC(=O)O MCULE-2547338077 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.75 COC1=NC=CC=C1NC(=O)C MCULE-7698894593 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.75 COC1=NC=CN=C1CC(C)C MCULE-7827160463 [0,0,0,0,0,0|0,0,0]=0 39 B12R1.75 CSC1=C(C=CC=C1)CC(C)N MCULE-6744980542 [0,0,0,0,0,0|3,1,0]=4 40 B12R1.75 CSC1=C(C=CC=C1)CC(C)N MCULE-7550903231 [0,0,0,0,0,0|3,1,0]=4 41 B12R1.75 CSC1=C(C=CC=C1)CC(C)O MCULE-5332764776 [0,0,0,0,0,0|3,1,0]=4 42 B12R1.75 CSC1=CC=CC=C1OC(C)C MCULE-7457850249 [0,0,0,0,0,0|3,1,0]=4 43 B11R1.41 CCCC1=C(C=CC=N1)C#N MCULE-6014835528 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.41 CCCC1=CC=CC=C1OC MCULE-7465740751 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.41 CCNC1=C(C=CC=C1)OC MCULE-1502335415 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.41 CCNC1=C(C=CC=C1)OC MCULE-9041969487 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.41 CCNC1=NC=CC=C1OC MCULE-9819171527 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.41 CCOC1=CC=CC=C1OC MCULE-5914437221 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.41 CCOC1=CC=CN=C1NC MCULE-3382781802 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.41 CCOC1=NC=CC=C1OC MCULE-3315851905 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.41 CCOC1=NC=CN=C1CC MCULE-5771738868 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.41 CCOC1=NC=CN=C1NN MCULE-9528843684 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.41 CCSC1=C(C=CC=C1)OC MCULE-3608057446 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.41 CCSC1=C(N=CC=N1)C#N MCULE-3939344902 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.41 CNCC1=C(N=CC=C1)OC MCULE-8674966789 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.41 CNCC1=CC=CC=C1OC MCULE-3214177710 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.41 CNCC1=CC=CC=C1OC MCULE-7074786532 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.41 CNCC1=CC=CN=C1OC MCULE-9176412438 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.41 CNCC1=NC=CC=C1OC MCULE-7119780444 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.41 CNCC1=NC=CC=C1OC MCULE-7687771652 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.41 CNCC1=NC=CN=C1OC MCULE-7790651313 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.41 CNCC1=NC=CN=C1SC MCULE-5962753482 [1,0,0,0,0,0|1,1,0]=3 63 B11R1.41 COC1=C(C=CC=C1)CCBr MCULE-2820208174 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.41 COC1=C(C=CC=C1)CCO MCULE-7822640427 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.41 COC1=C(C=CC=C1)CCS MCULE-8660417389 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.41 COC1=C(C=CC=N1)CC#N MCULE-8088035502 [1,0,0,0,0,0|2,0,1]=4 67 B11R1.41 COC1=C(C=CC=N1)CCN MCULE-2603233019 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.41 COC1=C(C=CC=N1)CCO MCULE-2634793434 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.41 COC1=C(C=CC=N1)CON MCULE-8322339318 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.41 COC1=CC=CC=C1CCI MCULE-6077328116 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.41 COC1=CC=CC=C1CCN MCULE-2797077338 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.41 COC1=CC=CC=C1CCN MCULE-5422744160 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.41 COC1=CC=CC=C1CSC MCULE-4633075837 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.41 COC1=CC=CN=C1CC#N MCULE-6274956312 [1,0,0,0,0,0|2,0,1]=4 75 B11R1.41 COC1=CC=CN=C1CCO MCULE-8249990368 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.41 COC1=NC=CC=C1CON MCULE-8841725371 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.86 C=C(C)CC1=C(C=CC=N1)C MCULE-8262270150 [1,0,0,0,0,0|1,0,2]=4 78 B11R1.86 CC(=O)CC1=NC=CC=C1C MCULE-6420535756 [1,0,0,0,0,0|2,0,1]=4 79 B11R1.86 CC(C)CC1=C(C=CC=C1)N MCULE-6312588330 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.86 CC(C)CC1=C(C=CC=N1)Br MCULE-7843444314 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.86 CC(C)CC1=C(N=CC=N1)Cl MCULE-8231477088 [1,0,0,0,0,0|1,0,0]=2 82 B11R1.86 CC(C)CC1=CC=CC=C1Br MCULE-3461437457 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.86 CC(C)CC1=CC=CC=C1O MCULE-6183655420 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.86 CC(C)CC1=NC=CNC1=O MCULE-3114194310 [1,0,0,0,0,0|0,0,2]=3 85 B11R1.86 CC(C)NC1=C(N=CC=N1)Cl MCULE-1758446836 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.86 CC(C)NC1=NC=CC=C1N MCULE-3795776174 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.86 CC(C)NC1=NC=CC=C1N MCULE-4717056128 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.86 CC(C)OC1=C(C=CC=C1)O MCULE-7217264484 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.86 CC(C)OC1=C(C=CC=N1)N MCULE-1701255393 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.86 CC(C)OC1=C(C=CC=N1)O MCULE-5806402328 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.86 CC(C)OC1=C(N=CC=C1)N MCULE-1301006852 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.86 CC(C)OC1=C(N=CC=C1)N MCULE-5198615401 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.86 CC(C)OC1=CC=CN=C1Br MCULE-8834659991 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.86 CC(C)OC1=CC=CN=C1Cl MCULE-9474241235 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.86 CC(C)OC1=CC=CN=C1F MCULE-7225158551 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.86 CC(C)OC1=CC=CN=C1I MCULE-2738175243 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.86 CC(C)OC1=NC=CC=C1Br MCULE-9231696166 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.86 CC(C)OC1=NC=CC=C1Cl MCULE-1156546664 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.86 CC(C)OC1=NC=CC=C1I MCULE-8565927640 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.86 CC(C)OC1=NC=CN=C1Cl MCULE-3421565140 [1,0,0,0,0,0|2,0,0]=3 101 B11R1.86 CC(C)SC1=NC=CC=C1Cl MCULE-2980411165 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.86 CC(N)CC1=C(C=CC=C1)O MCULE-7775711328 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.86 CC1=C(C=CC=C1)CC(C)N MCULE-6784332941 [1,0,0,0,0,0|3,0,0]=4 104 B11R1.86 CC1=C(C=CC=C1)CC(C)N MCULE-9634582734 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.86 CC1=C(C=CC=C1)NC(C)C MCULE-6596895893 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.86 CC1=C(C=CC=C1)OC(C)C MCULE-3043970924 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.86 CC1=C(C=CC=N1)NC(C)C MCULE-2109841833 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.86 CC1=C(N=CC=C1)CC(C)N MCULE-3767890880 [1,0,0,0,0,0|2,0,0]=3 109 B11R1.86 CC1=C(N=CC=C1)CN(C)C MCULE-1079381093 [1,0,0,0,0,0|2,0,0]=3 110 B11R1.86 CC1=CC=CC=C1SC(C)C MCULE-3497307395 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.86 CC1=CC=CN=C1CC(C)O MCULE-1657069866 [1,0,0,0,0,0|2,0,0]=3 112 B11R1.86 CC1=NC=CN=C1CC(C)C MCULE-2403517007 [1,0,0,0,0,0|0,0,0]=1 113 B11R1.86 CC1=NC=CN=C1OC(C)C MCULE-7469146884 [1,0,0,0,0,0|1,0,0]=2 114 B11R1.86 CN(C)CC1=C(C=CC=C1)O MCULE-7678755273 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.86 CN(C)CC1=C(C=CC=N1)O MCULE-3706285703 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.86 CN(C)CC1=CC=CC=C1O MCULE-1423756456 [1,0,0,0,0,0|3,0,0]=4 117 B11R1.86 CN(C)CC1=CC=CC=C1O MCULE-2082514466 [1,0,0,0,0,0|3,0,0]=4 118 B11R1.86 C[NH+](C)CC1=CC=CC=C1O MCULE-4407313939 [1,0,0,0,0,0|3,0,0]=4 119 B13R1.51 COC1=C(C=CC(=C1)F)CC(C)O MCULE-4804505614 [0,1,0,0,0,0|3,0,0]=4 120 B13R1.51 COC1=C(C=CC(=C1)I)OC(C)C MCULE-9239746231 [0,1,0,0,0,0|3,0,0]=4 121 B13R1.51 COC1=CC(=CC=C1CN(C)C)Br MCULE-7345411915 [0,1,0,0,0,0|3,0,0]=4 122 B13R1.51 COC1=CC(=CC=C1OC(C)C)Br MCULE-2637733191 [0,1,0,0,0,0|3,0,0]=4 123 B13R1.51 COC1=CC(=CC=C1OC(C)C)N MCULE-7526875805 [0,1,0,0,0,0|3,0,0]=4 124 B13R1.51 COC1=CC(=CC=C1OC(C)C)N MCULE-7988215992 [0,1,0,0,0,0|3,0,0]=4 125 B13R1.51 COC1=CC(=CC=C1SC(C)C)F MCULE-7228203334 [0,1,0,0,0,0|3,0,0]=4 126 B13R1.89 COC1=C(C=CC=N1)C(=O)N(C)C MCULE-9223654457 [0,1,0,0,0,0|2,0,1]=4 127 B13R1.89 COC1=CC=CC=C1C(=O)C(C)C MCULE-7934674145 [0,1,0,0,0,0|2,0,1]=4 128 B13R1.89 COC1=CC=CC=C1[C@@H](N)C(C)C MCULE-8226195199 [0,1,0,0,0,0|2,0,0]=3 129 B13R1.89 COC1=CC=CC=C1[C@@H](N)[C@H](C)O MCULE-2834337460 [0,1,0,0,0,0|3,0,0]=4 130 B13R1.89 COC1=CC=CC=C1[C@@H](N)[C@H](C)O MCULE-3406159375 [0,1,0,0,0,0|3,0,0]=4 131 B13R1.89 COC1=CC=CC=C1[C@H](N)C(C)C MCULE-9364337566 [0,1,0,0,0,0|2,0,0]=3 132 B13R1.89 COC1=CC=CC=C1[C@H](N)[C@@H](C)O MCULE-7184370390 [0,1,0,0,0,0|3,0,0]=4 133 B13R1.89 COC1=CC=CC=C1[C@H](N)[C@@H](C)O MCULE-9346329578 [0,1,0,0,0,0|3,0,0]=4 134 B13R1.91 CNC(C)CC1=CC=CC=C1OC MCULE-1712236079 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.91 CNC(C)CC1=CC=CC=C1OC MCULE-2813149515 [0,1,0,0,0,0|2,0,0]=3 136 B13R1.91 COC1=C(C=CC=C1)OC(C)CN MCULE-3267091723 [0,1,0,0,0,0|3,0,0]=4 137 B13R1.91 COC1=CC=CC=C1CC(C)CN MCULE-7348072055 [0,1,0,0,0,0|2,0,0]=3 138 B13R1.91 COC1=CC=CC=C1CC(N)CO MCULE-3006748304 [0,1,0,0,0,0|3,0,0]=4 139 B13R1.91 COC1=CC=CC=C1C[C@@H](N)CO MCULE-4564044252 [0,1,0,0,0,0|3,0,0]=4 140 B13R1.91 COC1=CC=CC=C1C[C@@H](N)CO MCULE-6293007313 [0,1,0,0,0,0|3,0,0]=4 141 B13R1.115 COC1=C(C=CC=C1CN(C)C)Br MCULE-3681144525 [0,1,0,0,0,0|3,0,0]=4 142 B13R1.115 COC1=C(C=CC=C1SC(C)C)F MCULE-5864587845 [0,1,0,0,0,0|3,0,0]=4 143 B13R1.380 CCOC1=C(C=CC=C1)CC(C)N MCULE-6961230743 [0,1,0,0,0,0|3,0,0]=4 144 B13R1.380 CCOC1=C(C=CC=C1)CC(C)N MCULE-9889598789 [0,1,0,0,0,0|3,0,0]=4 145 B13R1.380 CCOC1=CC=CC=C1SC(C)C MCULE-3780153820 [0,1,0,0,0,0|3,0,0]=4 146 B13R1.380 CCOC1=NC=CC=C1OC(C)C MCULE-9930081337 [0,1,0,0,0,0|2,0,0]=3 147 B13R1.589 CC(=O)C1=CC=CN=C1OC(C)C MCULE-4361464366 [0,1,0,0,0,0|3,0,0]=4 148 B13R1.589 CC(C)OC1=NC=CN=C1C(=O)O MCULE-8522775919 [0,1,0,0,0,0|3,0,0]=4 149 B13R1.622 CCC1=CC=CC=C1CC(C)(C)O MCULE-1798185323 [0,1,0,0,0,0|3,0,0]=4 150 B13R1.622 COC1=C(C=CC=C1)CC(C)(C)N MCULE-1047194111 [0,1,0,0,0,0|2,0,0]=3 151 B13R1.622 COC1=C(C=CC=C1)CC(C)(C)O MCULE-7212784640 [0,1,0,0,0,0|2,0,0]=3 152 B13R1.622 COC1=CC=CC=C1CC(C)(C)N MCULE-6040881632 [0,1,0,0,0,0|2,0,0]=3 153 B13R1.622 COC1=CC=CC=C1SC(C)(C)C MCULE-8010765670 [0,1,0,0,0,0|3,0,0]=4 154 B13R1.622 CSC1=C(C=CC=C1)CC(C)(C)O MCULE-8980432268 [0,1,0,0,0,0|2,1,0]=4 155 B13R1.2135 COC1=C(C(=CC=C1)Br)OC(C)C MCULE-7528023427 [0,1,0,0,0,0|3,0,0]=4 156 B13R1.2135 COC1=C(C(=CC=C1)F)OC(C)C MCULE-3033764827 [0,1,0,0,0,0|3,0,0]=4 157 B13R1.2135 COC1=CC=CC(=C1OC(C)C)O MCULE-6913246230 [0,1,0,0,0,0|3,0,0]=4 158 B13R1.3089 COC1=C(C=C(C=C1)C)CC(C)O MCULE-9795865840 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.3089 COC1=C(C=C(C=C1)Cl)CC(C)O MCULE-2705636097 [0,1,0,0,0,0|3,0,0]=4 160 B13R1.3089 COC1=C(C=C(C=C1)Cl)SC(C)C MCULE-4008907182 [0,1,0,0,0,0|3,0,0]=4 161 B13R1.3089 COC1=C(C=C(C=C1)F)CC(C)O MCULE-1434354939 [0,1,0,0,0,0|3,0,0]=4 162 B13R1.3089 COC1=C(C=C(C=C1)F)SC(C)C MCULE-7534621212 [0,1,0,0,0,0|3,0,0]=4 163 B13R1.3089 COC1=C(C=C(C=C1)N)OC(C)C MCULE-9339588815 [0,1,0,0,0,0|3,0,0]=4 164 B13R1.3089 COC1=C(C=C(C=C1)N)OC(C)C MCULE-9697646411 [0,1,0,0,0,0|3,0,0]=4 165 B13R1.3089 COC1=CC=C(C=C1CN(C)C)Br MCULE-1979651481 [0,1,0,0,0,0|3,0,0]=4 166 B13R1.3089 COC1=CC=C(C=C1OC(C)C)Br MCULE-4138985711 [0,1,0,0,0,0|3,0,0]=4 167 B13R1.3089 COC1=CC=C(C=C1OC(C)C)F MCULE-6763129617 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.3089 COC1=CC=C(C=C1SC(C)C)C MCULE-5485758088 [0,1,0,0,0,0|3,0,0]=4 169 B13R1.3089 COC1=CN=C(N=C1NC(C)C)Cl MCULE-8713640999 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.3089 COC1=NC=C(C=C1OC(C)C)Cl MCULE-5379371451 [0,1,0,0,0,0|2,0,0]=3 171 B13R2.72 CC(C)C1CNC2=C1C=CC=C2 MCULE-8540309540 [0,0,0,1,0,0|3,0,0]=4 172 B13R2.72 CC(N)C1COC2=C1C=CC=C2 MCULE-9400288429 [0,0,0,1,0,0|3,0,0]=4 173 B13R2.92 COC1=C(C=CC=C1)C2CC2N MCULE-9453565040 [0,0,0,1,0,0|3,0,0]=4 174 B13R2.163 CN1CCNC2=C(C1)C=CC=N2 MCULE-3751984474 [0,0,0,1,0,0|3,0,0]=4 175 B13R2.163 NC1CCOC2=C(C1)C=CC=C2 MCULE-3031267037 [0,0,0,1,0,0|3,0,0]=4 176 B13R2.163 NC1CCOC2=CC=CC=C2C1 MCULE-3670963878 [0,0,0,1,0,0|3,0,0]=4 177 B13R2.222 CC1(CNC2=C(C1)C=CC=C2)C MCULE-6092992006 [0,0,0,1,0,0|3,0,0]=4 178 B13R2.222 CC1(CNC2=C(O1)C=CC=N2)C MCULE-6156209526 [0,0,0,1,0,0|3,0,0]=4 179 B13R2.581 COC1=C2CC(CC2=CC=C1)N MCULE-1120071196 [0,0,0,1,0,0|3,0,0]=4 180 B13R2.581 COC1=CC=CC2=C1C[C@@H](C2)N MCULE-7031246317 [0,0,0,1,0,0|3,0,0]=4 181 B13R2.581 COC1=CC=CC2=C1C[C@H](C2)N MCULE-2646784170 [0,0,0,1,0,0|3,0,0]=4 182 B13R2.621 COC1=C(C=CC=C1)CC2CO2 MCULE-5073311698 [0,0,0,1,0,0|3,0,0]=4 183 B13R2.621 N#CC1=NC=CN=C1NC2CC2 MCULE-8829290684 [0,0,0,1,0,0|3,0,0]=4 184 B11R1.53 CC(C)C1=C(C=CC=C1)ON MCULE-3685784563 [0,0,0,0,1,0|3,0,0]=4 185 B11R1.53 CC(C)C1=C(C=CC=N1)C#N MCULE-6307032262 [0,0,0,0,1,0|3,0,0]=4 186 B11R1.53 CC(C)C1=C(C=CC=N1)CO MCULE-7841259712 [0,0,0,0,1,0|3,0,0]=4 187 B11R1.53 CC(C)C1=C(N=CC=N1)NN MCULE-2665684289 [0,0,0,0,1,0|2,0,0]=3 188 B11R1.53 CC(C)C1=CC=CC=C1ON MCULE-5523522465 [0,0,0,0,1,0|3,0,0]=4 189 B11R1.53 CC(C)C1=CC=CN=C1CCl MCULE-1977037009 [0,0,0,0,1,0|3,0,0]=4 190 B11R1.53 CC(C)C1=CC=CN=C1CN MCULE-9785337364 [0,0,0,0,1,0|3,0,0]=4 191 B11R1.53 CC(C)C1=CC=CN=C1CO MCULE-8053067127 [0,0,0,0,1,0|3,0,0]=4 192 B11R1.53 CC(C)C1=CC=CN=C1NN MCULE-4045477609 [0,0,0,0,1,0|3,0,0]=4 193 B11R1.53 CC(C)C1=CC=CN=C1NN MCULE-9496916913 [0,0,0,0,1,0|3,0,0]=4 194 B11R1.53 CCC1=C(N=CC=N1)C(=O)C MCULE-9725278937 [0,0,0,0,1,0|2,0,1]=4 195 B11R1.53 CN(C)C1=NC=CN=C1C#N MCULE-6357173567 [0,0,0,0,1,0|3,0,0]=4 196 B11R1.53 CNC1=C(C=CC=C1)C(C)C MCULE-1237229364 [0,0,0,0,1,0|3,0,0]=4 197 B11R1.53 CNC1=C(N=CC=C1)N(C)C MCULE-7899252485 [0,0,0,0,1,0|3,0,0]=4 198 B11R1.53 CNC1=CC=CC=C1C(C)C MCULE-5733942913 [0,0,0,0,1,0|3,0,0]=4 199 B11R1.53 COC1=C(C=CC=C1)C(C)C MCULE-6375560608 [0,0,0,0,1,0|2,0,0]=3 200 B11R1.53 COC1=C(C=CC=C1)C(C)N MCULE-2682559409 [0,0,0,0,1,0|3,0,0]=4 201 B11R1.53 COC1=C(C=CC=C1)C(C)N MCULE-4458367407 [0,0,0,0,1,0|3,0,0]=4 202 B11R1.53 COC1=C(C=CC=C1)C(C)N MCULE-9328726185 [0,0,0,0,1,0|3,0,0]=4 203 B11R1.53 COC1=C(C=CC=C1)C(C)S MCULE-3036818876 [0,0,0,0,1,0|3,0,0]=4 204 B11R1.53 COC1=C(C=CC=C1)[C@@H](C)O MCULE-9423288091 [0,0,0,0,1,0|3,0,0]=4 205 B11R1.53 COC1=C(C=CC=C1)[C@H](C)N MCULE-3665297151 [0,0,0,0,1,0|3,0,0]=4 206 B11R1.53 COC1=C(C=CC=C1)[C@H](C)O MCULE-8529910689 [0,0,0,0,1,0|3,0,0]=4 207 B11R1.53 COC1=C(C=CC=N1)C(C)N MCULE-3510992465 [0,0,0,0,1,0|2,0,0]=3 208 B11R1.53 COC1=C(C=CC=N1)[C@@H](C)O MCULE-8689818801 [0,0,0,0,1,0|2,0,0]=3 209 B11R1.53 COC1=C(N=CC=N1)C(=N)N MCULE-4558992637 [0,0,0,0,1,0|2,0,1]=4 210 B11R1.53 COC1=CC=CC=C1C(C)N MCULE-9275895205 [0,0,0,0,1,0|3,0,0]=4 211 B11R1.53 COC1=CC=CC=C1C(C)O MCULE-3713378302 [0,0,0,0,1,0|3,0,0]=4 212 B11R1.53 COC1=CC=CC=C1[C@@H](C)N MCULE-1823851020 [0,0,0,0,1,0|3,0,0]=4 213 B11R1.53 COC1=CC=CC=C1[C@@H](C)N MCULE-3251348648 [0,0,0,0,1,0|3,0,0]=4 214 B11R1.53 COC1=CC=CC=C1[C@@H](C)N MCULE-3701383525 [0,0,0,0,1,0|3,0,0]=4 215 B11R1.53 COC1=CC=CC=C1[C@@H](C)N MCULE-3809424764 [0,0,0,0,1,0|3,0,0]=4 216 B11R1.53 COC1=CC=CC=C1[C@H](C)N MCULE-6704463261 [0,0,0,0,1,0|3,0,0]=4 217 B11R1.53 COC1=CC=CC=C1[C@H](C)N MCULE-8754102408 [0,0,0,0,1,0|3,0,0]=4 218 B11R1.53 COC1=CC=CC=C1[C@H](C)N MCULE-9030781729 [0,0,0,0,1,0|3,0,0]=4 219 B11R1.53 COC1=CC=CN=C1C(=O)C MCULE-2218351239 [0,0,0,0,1,0|2,0,1]=4 220 B11R1.53 COC1=CC=CN=C1[C@@H](C)N MCULE-3950589918 [0,0,0,0,1,0|2,0,0]=3 221 B11R1.53 COC1=NC=CC=C1C(=O)C MCULE-9886056329 [0,0,0,0,1,0|2,0,1]=4 222 B11R1.53 COC1=NC=CC=C1C(C)O MCULE-5404794872 [0,0,0,0,1,0|2,0,0]=3 223 B11R1.53 COC1=NC=CC=C1C(F)F MCULE-4549120613 [0,0,0,0,1,0|3,0,0]=4 224 B11R1.53 COC1=NC=CN=C1C(=O)C MCULE-2548845520 [0,0,0,0,1,0|1,0,1]=3 225 B11R1.53 COC1=NC=CN=C1C(=O)O MCULE-1977337866 [0,0,0,0,1,0|2,0,1]=4 226 B11R1.53 COC1=NC=CN=C1C(C)C MCULE-8538729762 [0,0,0,0,1,0|0,0,0]=1 227 B11R1.53 CSC1=CC=CC=C1C(C)C MCULE-8891244712 [0,0,0,0,1,0|2,1,0]=4 228 B11R1.53 CSC1=NC=CN=C1C(C)C MCULE-4395342341 [0,0,0,0,1,0|0,1,0]=2 229 B11R1.57 CC(C)CN1C=CN=C1C=O MCULE-6334067765 [0,0,0,0,1,0|3,0,0]=4 230 B11R1.57 CC(C)CN1C=CN=C1CN MCULE-3604937208 [0,0,0,0,1,0|3,0,0]=4 231 B11R1.57 CC(C)CN1C=CN=C1CN MCULE-5197668588 [0,0,0,0,1,0|3,0,0]=4 232 B11R1.57 CC(C)CN1N=CC=C1C=O MCULE-8126942457 [0,0,0,0,1,0|3,0,0]=4 233 B11R1.57 CC(C)CN1N=CC=C1CO MCULE-2180968699 [0,0,0,0,1,0|3,0,0]=4 234 B11R1.57 CC(C)CN1N=CN=C1CO MCULE-3634593736 [0,0,0,0,1,0|3,0,0]=4 235 B11R1.57 CCC1=NC=CN1CC(C)N MCULE-7005890998 [0,0,0,0,1,0|3,0,0]=4 236 B11R1.57 CCN1N=CC=C1CC(C)N MCULE-6290120103 [0,0,0,0,1,0|3,0,0]=4 237 B13R1.90 CC(C)CNC1=C(C=CC=N1)C#N MCULE-9749686098 [0,0,0,0,0,1|3,0,0]=4 238 B13R1.90 CCC1=CC=CC=C1NCC(C)C MCULE-2884329119 [0,0,0,0,0,1|3,0,0]=4 239 B13R1.90 CNC1=C(C=CC=C1)OCC(C)C MCULE-3231801622 [0,0,0,0,0,1|3,0,0]=4 240 B13R1.90 COC1=C(C=CC=C1)CCC(C)N MCULE-2142244415 [0,0,0,0,0,1|3,0,0]=4 241 B13R1.90 COC1=C(C=CC=C1)OCC(C)N MCULE-6146115168 [0,0,0,0,0,1|3,0,0]=4 242 B13R1.90 COC1=C(C=CC=C1)OCC(C)N MCULE-8776649645 [0,0,0,0,0,1|3,0,0]=4 243 B13R1.90 COC1=C(C=CC=C1)OCC(C)O MCULE-8865268610 [0,0,0,0,0,1|3,0,0]=4 244 B13R1.90 COC1=CC=CC=C1CNC(C)C MCULE-4578754058 [0,0,0,0,0,1|2,0,0]=3 245 B13R1.90 COC1=CC=CC=C1CNC(C)C MCULE-5103229085 [0,0,0,0,0,1|2,0,0]=3 246 B13R1.90 COC1=NC=CN=C1CNC(C)C MCULE-2436361999 [0,0,0,0,0,1|0,0,0]=1 247 B13R1.90 CSC1=C(C=CC=C1)OCC(C)C MCULE-2689705684 [0,0,0,0,0,1|2,1,0]=4 248 B13R1.90 CSC1=C(C=CC=C1)SCC(C)C MCULE-1778083196 [0,0,0,0,0,1|2,1,0]=4 249 B13R1.90 CSC1=NC=CN=C1CNC(C)C MCULE-1602771522 [0,0,0,0,0,1|0,1,0]=2 250 B10R1.4 CC1=C(C=CC=N1)CCN MCULE-1515042574 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.4 CC1=C(N=CC=C1)CCN MCULE-5086049818 [2,0,0,0,0,0|2,0,0]=4 252 B10R1.4 CC1=C(N=CC=C1)CCN MCULE-5689012971 [2,0,0,0,0,0|2,0,0]=4 253 B10R1.4 CC1=C(N=CC=C1)CCN MCULE-8074395234 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.4 CC1=C(N=CC=C1)CCO MCULE-8833916245 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.4 CC1=C(N=CC=N1)CCN MCULE-1950152131 [2,0,0,0,0,0|1,0,0]=3 256 B10R1.4 CC1=C(N=CC=N1)CCO MCULE-9343539059 [2,0,0,0,0,0|1,0,0]=3 257 B10R1.4 CCCC1=C(C=CC=N1)N MCULE-8034740206 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.4 CCCC1=C(N=CC=N1)C MCULE-9149800188 [2,0,0,0,0,0|0,0,0]=2 259 B10R1.4 CCCC1=C(N=CC=N1)N MCULE-8516123880 [2,0,0,0,0,0|1,0,0]=3 260 B10R1.4 CCCC1=CC=CC=C1C MCULE-4184463329 [2,0,0,0,0,0|2,0,0]=4 261 B10R1.4 CCCC1=CC=CC=C1O MCULE-6123909187 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.4 CCNC1=C(N=CC=C1)C MCULE-1657673670 [2,0,0,0,0,0|2,0,0]=4 263 B10R1.4 CCNC1=C(N=CC=N1)C MCULE-6346124487 [2,0,0,0,0,0|1,0,0]=3 264 B10R1.4 CCNC1=C(N=CC=N1)Cl MCULE-3237943596 [2,0,0,0,0,0|2,0,0]=4 265 B10R1.4 CCNC1=CC=CN=C1O MCULE-5059752030 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.4 CCNC1=CC=CN=C1O MCULE-8353103205 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.4 CCNC1=NC=CC=C1C MCULE-4753422375 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.4 CCNC1=NC=CN=C1N MCULE-4629834439 [2,0,0,0,0,0|2,0,0]=4 269 B10R1.4 CCOC1=C(N=CC=N1)C MCULE-4940915882 [2,0,0,0,0,0|1,0,0]=3 270 B10R1.4 CCOC1=NC=CC=C1O MCULE-6780795407 [2,0,0,0,0,0|2,0,0]=4 271 B10R1.4 CCOC1=NC=CN=C1Br MCULE-3649958301 [2,0,0,0,0,0|2,0,0]=4 272 B10R1.4 CCOC1=NC=CN=C1Cl MCULE-1323660946 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.4 CCOC1=NC=CN=C1N MCULE-1624682776 [2,0,0,0,0,0|2,0,0]=4 274 B10R1.4 CNCC1=C(N=CC=C1)C MCULE-5763549534 [2,0,0,0,0,0|2,0,0]=4 275 B10R1.4 CNCC1=CC=CN=C1C MCULE-6108566742 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.4 CNCC1=NC=CC=C1C MCULE-6798639102 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.4 CNCC1=NC=CC=C1C MCULE-9447878943 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.4 CNCC1=NC=CN=C1Cl MCULE-3554633985 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.4 COCC1=NC=CN=C1Cl MCULE-7598857495 [2,0,0,0,0,0|2,0,0]=4 280 B10R1.4 OCCC1=NC=CN=C1Cl MCULE-2383999036 [2,0,0,0,0,0|2,0,0]=4 281 B10R1.20 C#CC1=NC=CN=C1OC MCULE-4211083494 [2,0,0,0,0,0|0,0,2]=4 282 B10R1.20 CCC1=C(N=CC=N1)CC MCULE-9239870134 [2,0,0,0,0,0|1,0,0]=3 283 B10R1.20 CCC1=C(N=CC=N1)OC MCULE-1724626630 [2,0,0,0,0,0|0,0,0]=2 284 B10R1.20 CCC1=CC=CC=C1OC MCULE-6300488103 [2,0,0,0,0,0|2,0,0]=4 285 B10R1.20 CCC1=NC=CN=C1SC MCULE-3815980224 [2,0,0,0,0,0|0,1,0]=3 286 B10R1.20 CNC1=C(C=CC=N1)OC MCULE-6408680797 [2,0,0,0,0,0|2,0,0]=4 287 B10R1.20 CNC1=C(N=CC=C1)OC MCULE-1629443159 [2,0,0,0,0,0|2,0,0]=4 288 B10R1.20 CNC1=NC=CC=C1OC MCULE-9851775977 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.20 COC1=C(C=CC=N1)CCl MCULE-7186013949 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.20 COC1=C(C=CC=N1)CN MCULE-6222919779 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.20 COC1=C(N=CC=C1)OC MCULE-2696238267 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.20 COC1=C(N=CC=N1)C#N MCULE-3966831486 [2,0,0,0,0,0|1,0,1]=4 293 B10R1.20 COC1=C(N=CC=N1)CO MCULE-5615750503 [2,0,0,0,0,0|1,0,0]=3 294 B10R1.20 COC1=C(N=NC=N1)CN MCULE-7329484208 [2,0,0,0,0,0|2,0,0]=4 295 B10R1.20 COC1=CC=CN=C1CBr MCULE-2311387089 [2,0,0,0,0,0|2,0,0]=4 296 B10R1.20 COC1=CC=CN=C1CCl MCULE-4196441785 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.20 COC1=CC=CN=C1CCl MCULE-6298005904 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.20 COC1=CC=CN=C1CN MCULE-5569640363 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.20 COC1=CC=CN=C1CN MCULE-5688940356 [2,0,0,0,0,0|2,0,0]=4 300 B10R1.20 COC1=CC=CN=C1CN MCULE-8304642546 [2,0,0,0,0,0|2,0,0]=4 301 B10R1.20 COC1=CC=CN=C1CO MCULE-2647748741 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.20 COC1=NC=CC=C1CBr MCULE-3309207188 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.20 COC1=NC=CC=C1CBr MCULE-4054947764 [2,0,0,0,0,0|2,0,0]=4 304 B10R1.20 COC1=NC=CC=C1CCl MCULE-9267314863 [2,0,0,0,0,0|2,0,0]=4 305 B10R1.20 COC1=NC=CC=C1CN MCULE-4437899645 [2,0,0,0,0,0|2,0,0]=4 306 B10R1.20 COC1=NC=CC=C1CN MCULE-6023962405 [2,0,0,0,0,0|2,0,0]=4 307 B10R1.20 COC1=NC=CC=C1CN MCULE-6551091429 [2,0,0,0,0,0|2,0,0]=4 308 B10R1.20 COC1=NC=CC=C1CO MCULE-7612003968 [2,0,0,0,0,0|2,0,0]=4 309 B10R1.20 COC1=NC=CN=C1C=O MCULE-6400877795 [2,0,0,0,0,0|1,0,1]=4 310 B10R1.20 COC1=NC=CN=C1CBr MCULE-7400403568 [2,0,0,0,0,0|1,0,0]=3 311 B10R1.20 COC1=NC=CN=C1CBr MCULE-9947976600 [2,0,0,0,0,0|1,0,0]=3 312 B10R1.20 COC1=NC=CN=C1CCl MCULE-8870375315 [2,0,0,0,0,0|1,0,0]=3 313 B10R1.20 COC1=NC=CN=C1CN MCULE-1154251456 [2,0,0,0,0,0|1,0,0]=3 314 B10R1.20 COC1=NC=CN=C1CN MCULE-2675790205 [2,0,0,0,0,0|1,0,0]=3 315 B10R1.20 COC1=NC=CN=C1NN MCULE-2820100811 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.20 COC1=NC=CN=C1OC MCULE-5177052449 [2,0,0,0,0,0|1,0,0]=3 317 B10R1.20 CSC1=NC=CN=C1CBr MCULE-2635053759 [2,0,0,0,0,0|1,1,0]=4 318 B10R1.20 CSC1=NC=CN=C1CBr MCULE-5662293858 [2,0,0,0,0,0|1,1,0]=4 319 B10R1.20 CSC1=NC=CN=C1CCl MCULE-4484176379 [2,0,0,0,0,0|1,1,0]=4 320 B10R1.20 CSC1=NC=CN=C1CN MCULE-6376870318 [2,0,0,0,0,0|1,1,0]=4 321 B10R1.18 CC(=O)CC1=NC=CN=C1 MCULE-5617549412 [2,0,0,0,0,0|1,0,1]=4 322 B10R1.18 CC(C)CC1=CC=CC=C1 MCULE-5932735241 [2,0,0,0,0,0|2,0,0]=4 323 B10R1.18 CC(C)CC1=CC=CN=C1 MCULE-7066428662 [2,0,0,0,0,0|1,0,0]=3 324 B10R1.18 CC(C)CC1=NC=CC=C1 MCULE-1073018061 [2,0,0,0,0,0|1,0,0]=3 325 B10R1.18 CC(C)CC1=NC=CN=C1 MCULE-6975726186 [2,0,0,0,0,0|0,0,0]=2 326 B10R1.18 CC(C)NC1=NC=CC=C1 MCULE-9322334367 [2,0,0,0,0,0|2,0,0]=4 327 B10R1.18 CC(C)NC1=NC=CN=C1 MCULE-5725880687 [2,0,0,0,0,0|1,0,0]=3 328 B10R1.18 CC(C)OC1=CN=CC=C1 MCULE-8964581440 [2,0,0,0,0,0|2,0,0]=4 329 B10R1.18 CC(C)OC1=NC=CC=C1 MCULE-2151453886 [2,0,0,0,0,0|2,0,0]=4 330 B10R1.18 CC(N)CC1=CC=CC=N1 MCULE-3364308915 [2,0,0,0,0,0|2,0,0]=4 331 B10R1.18 CC(N)CC1=CC=CN=C1 MCULE-4666510078 [2,0,0,0,0,0|2,0,0]=4 332 B10R1.18 CC(N)CC1=CN=CC=C1 MCULE-8851265408 [2,0,0,0,0,0|2,0,0]=4 333 B10R1.18 CC(N)CC1=NC=CC=C1 MCULE-7031865146 [2,0,0,0,0,0|2,0,0]=4 334 B10R1.18 CC(N)CC1=NC=CC=C1 MCULE-8907918633 [2,0,0,0,0,0|2,0,0]=4 335 B10R1.18 CC(N)CC1=NC=CN=C1 MCULE-4424205632 [2,0,0,0,0,0|1,0,0]=3 336 B10R1.18 CC(N)CC1=NC=CN=C1 MCULE-7869953559 [2,0,0,0,0,0|1,0,0]=3 337 B10R1.18 CC(O)CC1=CN=CC=C1 MCULE-7765853542 [2,0,0,0,0,0|2,0,0]=4 338 B10R1.18 CC(O)CC1=NC=CC=C1 MCULE-6765880139 [2,0,0,0,0,0|2,0,0]=4 339 B10R1.18 CC(O)CC1=NC=CN=C1 MCULE-5794077879 [2,0,0,0,0,0|1,0,0]=3 340 B10R1.18 CN(C)CC1=CC=CC=N1 MCULE-9529605342 [2,0,0,0,0,0|2,0,0]=4 341 B10R1.18 CN(C)CC1=CC=CN=C1 MCULE-5304470260 [2,0,0,0,0,0|2,0,0]=4 342 B12R1.77 CCC(C)C1=NC=CN=C1OC MCULE-8146733912 [1,1,0,0,0,0|0,0,0]=2 343 B12R1.77 CCC(N)C1=C(C=CC=C1)OC MCULE-4984661044 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.77 CCC(N)C1=CC=CC=C1OC MCULE-9761033359 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.77 CC[C@@H](N)C1=C(C=CC=C1)OC MCULE-1980150153 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.77 CC[C@@H](N)C1=C(C=CC=C1)OC MCULE-2585980267 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.77 CC[C@@H](N)C1=CC=CC=C1OC MCULE-1205405029 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.77 CC[C@@H](N)C1=CC=CC=C1OC MCULE-3409594343 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.77 CC[C@H](N)C1=C(C=CC=C1)OC MCULE-2195950954 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.77 CC[C@H](N)C1=C(C=CC=C1)OC MCULE-6794829253 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.77 CC[C@H](N)C1=CC=CC=C1OC MCULE-1189753931 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.77 CC[C@H](N)C1=CC=CC=C1OC MCULE-8123067991 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.77 COC(=O)C1=NC=CN=C1OC MCULE-7638246829 [1,1,0,0,0,0|1,0,1]=4 354 B12R1.112 CCOC1=NC=C(C=C1OC)Br MCULE-6985828427 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.112 CCOC1=NC=C(C=C1OC)Cl MCULE-4390104930 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.121 CCCNC1=C(C=CC=C1)OC MCULE-9348607608 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.121 CCCSC1=CC=CC=C1OC MCULE-6410640260 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.121 CCNCC1=CC=CC=C1OC MCULE-1629407439 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.121 CCNCC1=CC=CC=C1OC MCULE-6194430856 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.121 CCNCC1=NC=CN=C1OC MCULE-5682639401 [1,1,0,0,0,0|0,0,0]=2 361 B12R1.121 CCNCC1=NC=CN=C1SC MCULE-8291825559 [1,1,0,0,0,0|0,1,0]=3 362 B12R1.121 CCSCC1=C(C=CC=C1)OC MCULE-3901101891 [1,1,0,0,0,0|2,0,0]=4 363 B12R1.121 CNCCC1=C(C=CC=C1)OC MCULE-3614966225 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.121 COC1=C(C=CC=C1)CCCBr MCULE-6504468262 [1,1,0,0,0,0|2,0,0]=4 365 B12R1.121 COC1=C(C=CC=C1)CCCCl MCULE-3997593720 [1,1,0,0,0,0|2,0,0]=4 366 B12R1.121 COC1=C(C=CC=C1)CCCN MCULE-3441943872 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.121 COC1=C(C=CC=C1)CCCO MCULE-2886445322 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.169 CCOC1=CC=CN=C1OCC MCULE-1330709925 [1,1,0,0,0,0|2,0,0]=4 369 B12R1.268 CCOC1=CC(=CN=C1OC)Br MCULE-2075938012 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.268 CCOC1=CC(=CN=C1OC)Cl MCULE-7654445273 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.283 CCOC1=NC=CN=C1C(C)C MCULE-1465709900 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.124 CC(C)C(N)C1=CC=CC=C1O MCULE-8973262849 [1,1,0,0,0,0|2,0,0]=4 373 B12R1.124 CC(C)[C@@H](N)C1=CC=CC=C1O MCULE-2195915687 [1,1,0,0,0,0|2,0,0]=4 374 B12R1.124 CC(C)[C@H](N)C1=CC=CC=C1O MCULE-8289685478 [1,1,0,0,0,0|2,0,0]=4 375 B12R1.124 CC1=C(C=CC=C1)C(N)C(C)C MCULE-7390243638 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.124 CC1=C(C=CC=C1)[C@@H](N)C(C)C MCULE-2185529980 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.124 CC1=C(C=CC=C1)[C@@H](N)C(C)C MCULE-7446387899 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.124 CC1=C(C=CC=C1)[C@H](N)C(C)C MCULE-1232409178 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.124 CC1=C(C=CC=C1)[C@H](N)C(C)C MCULE-3226529968 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.124 CC1=C(N=CC=C1)C(N)C(C)C MCULE-1306778248 [1,1,0,0,0,0|1,0,0]=3 381 B12R1.124 CC1=CC=CC=C1C(N)C(C)C MCULE-9931573104 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.124 CC1=CC=CN=C1C(=O)C(C)C MCULE-4723568652 [1,1,0,0,0,0|1,0,1]=4 383 B12R1.127 CC(C)CC1=CC(=CC=C1O)Br MCULE-9322637084 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.127 CC(C)CC1=CC(=CC=C1O)O MCULE-7177696474 [1,1,0,0,0,0|2,0,0]=4 385 B12R1.127 CC1=C(C=C(C=N1)O)OC(C)C MCULE-2890458354 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.127 CC1=NC(=C(C=C1)O)CC(C)C MCULE-4139222139 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.127 CC1=NC=C(C=C1OC(C)C)Br MCULE-4134546889 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.127 CC1=NC=C(C=C1OC(C)C)N MCULE-6171434803 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.151 CC1=C(C=CC=C1)CC(C)(C)N MCULE-4171656226 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.151 CC1=C(C=CC=C1)CC(C)(C)N MCULE-6625971055 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.151 CC1=CC=CC=C1CC(C)(C)O MCULE-3807809506 [1,1,0,0,0,0|2,0,0]=4 392 B12R1.151 CC1=CC=CN=C1NC(C)(C)C MCULE-9679043387 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.224 CC1=C(C=CN=C1OC(C)C)I MCULE-2830889288 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.233 CC(C)CC1=C(C=C(C=C1)O)O MCULE-7996182365 [1,1,0,0,0,0|2,0,0]=4 395 B12R1.233 CC(C)OC1=NC=C(C=C1O)Br MCULE-8549860822 [1,1,0,0,0,0|2,0,0]=4 396 B12R1.233 CC(C)OC1=NC=C(C=C1O)Cl MCULE-6912744616 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.233 CC1=C(C=CC(=N1)Br)OC(C)C MCULE-2398677033 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.233 CC1=C(N=CC(=C1)N)OC(C)C MCULE-5233812197 [1,1,0,0,0,0|2,0,0]=4 399 B12R1.233 CC1=CC(=CN=C1NC(C)C)Br MCULE-3630300357 [1,1,0,0,0,0|2,0,0]=4 400 B12R1.233 CC1=CC(=CN=C1OC(C)C)Br MCULE-9806113825 [1,1,0,0,0,0|2,0,0]=4 401 B12R1.233 CC1=CC(=CN=C1OC(C)C)O MCULE-3313643202 [1,1,0,0,0,0|2,0,0]=4 402 B12R1.233 CC1=CN=C(C(=N1)C)CC(C)C MCULE-4154775100 [1,1,0,0,0,0|0,0,0]=2 403 B12R1.371 CC1=C(C=CC=C1)CC(C)CO MCULE-1637308764 [1,1,0,0,0,0|2,0,0]=4 404 B12R1.371 CCC(C)OC1=C(N=CC=N1)Cl MCULE-7987145422 [1,1,0,0,0,0|2,0,0]=4 405 B12R1.371 CNC(C)CC1=C(C=CC=C1)C MCULE-6448225760 [1,1,0,0,0,0|2,0,0]=4 406 B12R1.371 CNC(C)CC1=C(C=CC=C1)C MCULE-8213176080 [1,1,0,0,0,0|2,0,0]=4 407 B12R1.371 CNC(C)CC1=C(C=CC=N1)C MCULE-1581228853 [1,1,0,0,0,0|1,0,0]=3 408 B12R1.46 COC1=C(C=C(C=C1)Br)C(C)C MCULE-1900560421 [0,1,0,0,1,0|2,0,0]=4 409 B12R1.46 COC1=C(C=C(C=C1)N)C(C)C MCULE-7431263706 [0,1,0,0,1,0|2,0,0]=4 410 B12R1.46 COC1=C(C=C(C=C1)O)C(C)C MCULE-9210587393 [0,1,0,0,1,0|2,0,0]=4 411 B12R1.46 COC1=C(C=C(C=N1)Br)C(C)N MCULE-7304670834 [0,1,0,0,1,0|2,0,0]=4 412 B12R1.46 COC1=CC=C(C=C1C(C)C)C MCULE-6533635243 [0,1,0,0,1,0|2,0,0]=4 413 B12R1.46 COC1=CC=C(C=C1C(C)C)I MCULE-3353352433 [0,1,0,0,1,0|2,0,0]=4 414 B12R1.46 COC1=CC=C(C=C1C(C)C)N MCULE-8734834557 [0,1,0,0,1,0|2,0,0]=4 415 B12R1.46 COC1=NC=C(C=C1C(C)C)Br MCULE-9411829544 [0,1,0,0,1,0|1,0,0]=3 416 B12R1.46 COC1=NC=C(C=C1[C@@H](C)N)F MCULE-3943949018 [0,1,0,0,1,0|2,0,0]=4 417 B12R1.46 COC1=NC=C(C=C1[C@@H](C)N)F MCULE-6339148769 [0,1,0,0,1,0|2,0,0]=4 418 B12R1.57 COC1=C(C=CC(=C1)N)C(C)C MCULE-4281557757 [0,1,0,0,1,0|2,0,0]=4 419 B12R1.57 COC1=CC(=CC=C1C(C)C)Br MCULE-2540144024 [0,1,0,0,1,0|2,0,0]=4 420 B12R1.57 COC1=CC(=CC=C1C(C)C)C MCULE-3388660351 [0,1,0,0,1,0|2,0,0]=4 421 B12R1.57 COC1=CC(=CN=C1N(C)C)Br MCULE-9354632898 [0,1,0,0,1,0|2,0,0]=4 422 B12R1.57 COC1=NC(=CC=C1N(C)C)Br MCULE-9510196322 [0,1,0,0,1,0|2,0,0]=4 423 B12R1.76 COC1=C(C=CC=C1)C(C)(C)C MCULE-1756338721 [0,1,0,0,1,0|2,0,0]=4 424 B12R1.76 COC1=C(C=CC=C1)C(C)(C)N MCULE-4146099543 [0,1,0,0,1,0|2,0,0]=4 425 B12R1.76 COC1=C(C=CC=C1)C(C)(C)N MCULE-4359730208 [0,1,0,0,1,0|2,0,0]=4 426 B12R1.76 COC1=C(C=CC=C1)C(C)(C)O MCULE-1274300940 [0,1,0,0,1,0|2,0,0]=4 427 B12R1.76 COC1=C(N=CC=C1)C(C)(C)N MCULE-3035906517 [0,1,0,0,1,0|1,0,0]=3 428 B12R1.87 COC1=C(C=CC=C1Br)C(C)C MCULE-9376091831 [0,1,0,0,1,0|2,0,0]=4 429 B12R1.87 COC1=C(C=CC=C1C(C)C)N MCULE-9932060528 [0,1,0,0,1,0|2,0,0]=4 430 B12R1.87 COC1=C(C=CC=C1O)C(C)C MCULE-6825013736 [0,1,0,0,1,0|2,0,0]=4 431 B12R1.89 CCC1=C(C=NN1CC(C)C)N MCULE-3563745801 [0,1,0,0,1,0|2,0,0]=4 432 B12R1.289 COCC1=CC=NN1CC(C)C MCULE-6716699163 [0,1,0,0,1,0|1,0,0]=3 433 B14R1.93 COC1=C(C=CC=C1)CCC(C)(C)N MCULE-4517603699 [0,1,0,0,0,1|2,0,0]=4 434 B14R1.93 COC1=CC=CC=C1CNC(C)(C)C MCULE-5116208778 [0,1,0,0,0,1|2,0,0]=4 435 B14R1.118 COC1=C(C=CC=C1Br)CNC(C)C MCULE-2841507186 [0,1,0,0,0,1|2,0,0]=4 436 B14R1.482 CCOC1=C(C=CC=C1)CNC(C)C MCULE-7829119402 [0,1,0,0,0,1|2,0,0]=4 437 B14R1.482 CCOC1=C(C=CC=C1)CNC(C)C MCULE-9601262815 [0,1,0,0,0,1|2,0,0]=4 438 B14R1.482 CCOC1=NC=CC=C1OCC(C)C MCULE-1537646653 [0,1,0,0,0,1|1,0,0]=3 439 B14R1.840 COC1=C(C=CC=C1)C(N)CC(C)C MCULE-1385958476 [0,1,0,0,0,1|2,0,0]=4 440 B14R1.840 COC1=C(C=CC=C1)C(O)CC(C)C MCULE-4324099052 [0,1,0,0,0,1|2,0,0]=4 441 B14R1.840 COC1=C(C=CC=N1)C(=O)NC(C)C MCULE-4131758158 [0,1,0,0,0,1|1,0,1]=4 442 B14R1.840 COC1=CC=CC=C1C(=O)CC(C)C MCULE-2704521742 [0,1,0,0,0,1|2,0,0]=4 443 B14R1.840 COC1=CC=CC=C1[C@@H](N)CC(C)C MCULE-3673434729 [0,1,0,0,0,1|2,0,0]=4 444 B14R1.840 COC1=CC=CC=C1[C@@H](N)CC(C)C MCULE-9739263545 [0,1,0,0,0,1|2,0,0]=4 445 B14R1.840 COC1=CC=CC=C1[C@H](N)CC(C)C MCULE-3937054650 [0,1,0,0,0,1|2,0,0]=4 446 B14R1.840 COC1=CC=CC=C1[C@H](N)CC(C)C MCULE-7210374589 [0,1,0,0,0,1|2,0,0]=4 447 B14R1.863 CCC(C)NCC1=CC=CC=C1OC MCULE-4096375950 [0,1,0,0,0,1|2,0,0]=4 448 B14R1.863 CCC(C)NCC1=CC=CC=C1OC MCULE-6986697169 [0,1,0,0,0,1|2,0,0]=4 449 B14R1.863 CNC(C)CCC1=C(C=CC=C1)OC MCULE-5778515720 [0,1,0,0,0,1|2,0,0]=4 450 B14R1.863 COC1=C(C=CC=C1)OCC(C)CN MCULE-6527892255 [0,1,0,0,0,1|2,0,0]=4 451 B14R1.863 COC1=C(C=CC=C1)SCC(C)CN MCULE-7382924609 [0,1,0,0,0,1|2,0,0]=4 452 B14R1.863 COC1=C(C=CC=C1)SCC(C)CN MCULE-9648102264 [0,1,0,0,0,1|2,0,0]=4 453 B14R1.863 COC1=NC=CN=C1CNC(=O)CCl MCULE-6602781887 [0,1,0,0,0,1|1,0,1]=4 454 B14R1.863 COC1=NC=CN=C1CNC(=O)CN MCULE-5110794775 [0,1,0,0,0,1|1,0,1]=4 455 B14R1.1600 COC1=C(C=CC(=C1)Br)CNC(C)C MCULE-3868223189 [0,1,0,0,0,1|2,0,0]=4 456 B14R1.1600 COC1=C(C=CC(=C1)N)OCC(C)C MCULE-7932711139 [0,1,0,0,0,1|2,0,0]=4 457 B14R1.1600 COC1=CC(=CC=C1CNC(C)C)C MCULE-9593248696 [0,1,0,0,0,1|2,0,0]=4 458 B14R1.1600 COC1=CC(=CC=C1OCC(C)C)Br MCULE-4026524000 [0,1,0,0,0,1|2,0,0]=4 459 B14R1.1865 COC1=C(C=C(C=C1)Br)OCC(C)C MCULE-1123191168 [0,1,0,0,0,1|2,0,0]=4 460 B14R1.1865 COC1=C(C=C(C=C1)C)NCC(C)C MCULE-3665751307 [0,1,0,0,0,1|2,0,0]=4 461 B14R1.1865 COC1=CC=C(C=C1CNC(C)C)Br MCULE-3247118005 [0,1,0,0,0,1|2,0,0]=4 462 B14R1.1865 COC1=CC=C(C=C1CNC(C)C)Br MCULE-5736200458 [0,1,0,0,0,1|2,0,0]=4 463 B14R1.1865 COC1=CC=C(C=C1CNC(C)C)Cl MCULE-2751773894 [0,1,0,0,0,1|2,0,0]=4 464 B14R1.1865 COC1=CC=C(C=C1CNC(C)C)Cl MCULE-8918603235 [0,1,0,0,0,1|2,0,0]=4 465 B14R1.1865 COC1=CC=C(C=C1OCC(C)C)S MCULE-6875782498 [0,1,0,0,0,1|2,0,0]=4 466 B14R1.3135 COC1=C(C=CC=C1)CC(=O)C(C)C MCULE-8287592794 [0,1,0,0,0,1|2,0,0]=4 467 B14R1.3135 COC1=C(C=CC=C1)CC(N)C(C)C MCULE-2299747661 [0,1,0,0,0,1|2,0,0]=4 468 B14R1.4522 CC(C)COC1=C(N=CC=N1)C(=O)O MCULE-8158914102 [0,1,0,0,0,1|2,0,0]=4 469 B14R1.1601 COC1=CC(=CC=C1CC(C)(C)O)F MCULE-8944447272 [0,2,0,0,0,0|2,0,0]=4 470 B14R1.95 CCC(C)[C@@H](N)C1=CC=CC=C1OC MCULE-3388173842 [0,2,0,0,0,0|2,0,0]=4 471 B14R1.95 CCC(C)[C@@H](N)C1=CC=CC=C1OC MCULE-7627036566 [0,2,0,0,0,0|2,0,0]=4 472 B14R1.95 CCC(C)[C@H](N)C1=CC=CC=C1OC MCULE-1737722525 [0,2,0,0,0,0|2,0,0]=4 473 B14R1.95 CCC(C)[C@H](N)C1=CC=CC=C1OC MCULE-3019756515 [0,2,0,0,0,0|2,0,0]=4 474 B14R1.839 COC1=CC=CC=C1[C@@H](N)C(C)(C)C MCULE-3846404636 [0,2,0,0,0,0|2,0,0]=4 475 B14R1.839 COC1=CC=CC=C1[C@@H](N)C(C)(C)C MCULE-6627133471 [0,2,0,0,0,0|2,0,0]=4 476 B14R1.839 COC1=CC=CC=C1[C@H](N)C(C)(C)C MCULE-1086447863 [0,2,0,0,0,0|2,0,0]=4 477 B14R1.839 COC1=CC=CC=C1[C@H](N)C(C)(C)C MCULE-8198189101 [0,2,0,0,0,0|2,0,0]=4 478 B14R1.1711 COC1=C(C=CC=C1)C(C)(O)C(C)C MCULE-3616255177 [0,2,0,0,0,0|2,0,0]=4 479 B14R1.965 COC1=CC=CC=C1CC(C)CCN MCULE-5876264257 [0,2,0,0,0,0|2,0,0]=4 480 B14R1.965 COC1=NC=CN=C1CN(C)CCN MCULE-8787769128 [0,2,0,0,0,0|1,0,0]=3 481 B14R1.965 COC1=NC=CN=C1CN(C)CCO MCULE-6081249009 [0,2,0,0,0,0|1,0,0]=3 482 B14R1.965 CSC1=NC=CN=C1CN(C)CCN MCULE-6198234797 [0,2,0,0,0,0|1,1,0]=4 483 B14R1.965 CSC1=NC=CN=C1CN(C)CCO MCULE-8617288045 [0,2,0,0,0,0|1,1,0]=4 484 B14R1.2000 COC1=C(C=CC=C1)CC(C)(C)CN MCULE-1899728292 [0,2,0,0,0,0|2,0,0]=4 485 B14R1.2000 COC1=C(C=CC=C1)CC(C)(C)CN MCULE-3633832264 [0,2,0,0,0,0|2,0,0]=4 486 B14R1.2000 COC1=C(C=CC=C1)CC(C)(N)CO MCULE-1433368882 [0,2,0,0,0,0|2,0,0]=4 487 B14R1.2000 COC1=C(C=CC=C1)CC(C)(N)CO MCULE-9599198657 [0,2,0,0,0,0|2,0,0]=4 488 B14R1.3136 COC1=C(C=CC=C1)CC(CN)CO MCULE-6633489740 [0,2,0,0,0,0|2,0,0]=4 489 B14R1.3136 COC1=CC=CC=C1CC(OC)OC MCULE-7029426590 [0,2,0,0,0,0|2,0,0]=4 490 B14R1.3279 COC1=CC=C(C=C1CC(C)CO)F MCULE-8273981008 [0,2,0,0,0,0|2,0,0]=4 491 B14R1.262 CCOC1=C(C=CC=C1)CC(C)(C)O MCULE-9913424263 [0,2,0,0,0,0|2,0,0]=4 492 B14R1.744 COC(=O)C1=C(N=CC=C1)NC(C)C MCULE-5799314527 [0,2,0,0,0,0|2,0,0]=4 493 B14R1.744 COC(=O)C1=CC=CN=C1CC(C)C MCULE-2999603792 [0,2,0,0,0,0|1,0,0]=3 494 B14R1.744 COC(=O)C1=CC=CN=C1OC(C)C MCULE-7244104495 [0,2,0,0,0,0|2,0,0]=4 495 B14R1.1866 COC1=C(C=C(C=C1)C)CC(C)(C)O MCULE-3931115805 [0,2,0,0,0,0|2,0,0]=4 496 B14R1.1866 COC1=C(C=C(C=C1)Cl)CC(C)(C)O MCULE-1180981457 [0,2,0,0,0,0|2,0,0]=4 497 B14R1.1866 COC1=C(C=C(C=C1)F)CC(C)(C)O MCULE-9413228114 [0,2,0,0,0,0|2,0,0]=4 498 B14R1.3723 COC1=CC=C(C(=C1)CC(C)C)OC MCULE-2534250678 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.19 CC1=C(C=NC(=C1)CC(C)C)N MCULE-4360689318 [0,0,1,1,0,0|1,0,1]=4 500 B12R1.144 CC(C)CC(=O)C1=NC=CN1C MCULE-5635961065 [0,0,1,1,0,0|2,0,0]=4 501 B12R2.24 C[C@@H]1COC2=CC=CC=C2C1 MCULE-6991615599 [1,0,0,1,0,0|2,0,0]=4 502 B12R2.24 C[C@@H]1COC2=CC=CC=C2C1 MCULE-8756026177 [1,0,0,1,0,0|2,0,0]=4 503 B12R2.24 C[C@H]1COC2=CC=CC=C2C1 MCULE-1417133099 [1,0,0,1,0,0|2,0,0]=4 504 B12R2.24 C[C@H]1COC2=CC=CC=C2C1 MCULE-7598114776 [1,0,0,1,0,0|2,0,0]=4 505 B12R2.41 C1=CC2=C(CCCCN2)N=C1 MCULE-3396991485 [1,0,0,1,0,0|2,0,0]=4 506 B12R2.41 C1=CC2=C(CNCCO2)N=C1 MCULE-8443985352 [1,0,0,1,0,0|2,0,0]=4 507 B12R2.41 C1=CC2=C(N=C1)NCCCC2 MCULE-2677598883 [1,0,0,1,0,0|2,0,0]=4 508 B12R2.41 C1=CC2=C(N=C1)OCCNC2 MCULE-7401766856 [1,0,0,1,0,0|2,0,0]=4 509 B12R2.41 C1=CC2=C(N=C1)OCCNC2 MCULE-9639911263 [1,0,0,1,0,0|2,0,0]=4 510 B12R2.41 C1=CN=C2CCCCCC2=C1 MCULE-8238771462 [1,0,0,1,0,0|2,0,0]=4 511 B12R2.41 C1=CN=C2OCCCOC2=C1 MCULE-6213915294 [1,0,0,1,0,0|2,0,0]=4 512 B12R2.41 C1=CN=C2OCCNCC2=C1 MCULE-5593386516 [1,0,0,1,0,0|2,0,0]=4 513 B12R2.1081 CC1CCCC2=C1C=CC=N2 MCULE-1506403434 [1,0,0,1,0,0|2,0,0]=4 514 B12R2.1081 NC1CCCC2=C1N=CC=N2 MCULE-6642948951 [1,0,0,1,0,0|2,0,0]=4 515 B12R2.1081 O=C1CCCC2=C1N=CC=N2 MCULE-6839452846 [1,0,0,1,0,0|2,0,0]=4 516 B12R2.1081 OC1CCCC2=C1N=CC=N2 MCULE-5041708644 [1,0,0,1,0,0|2,0,0]=4 517 B12R2.2048 COC1=C(C=CC=C1)C2CC2 MCULE-4197827869 [1,0,0,1,0,0|2,0,0]=4 518 B12R2.2048 COC1=NC=CC=C1C2CC2 MCULE-8094011287 [1,0,0,1,0,0|1,0,0]=3 519 B12R2.2048 NNC1=C(N=CC=N1)C2CC2 MCULE-9949353890 [1,0,0,1,0,0|2,0,0]=4 520 B12R2.95 CC1(CC2=C(C1)C=CC=C2)C MCULE-4083739821 [1,0,0,1,0,0|2,0,0]=4 521 B12R2.95 CC1(CC2=CC=CC=C2O1)C MCULE-7086037466 [1,0,0,1,0,0|2,0,0]=4 522 B12R2.225 ClC1=C(N=CC=N1)NC2CC2 MCULE-1228454430 [1,0,0,1,0,0|2,0,0]=4 523 B12R2.225 OC1=CC=CC=C1CC2CC2 MCULE-4101762492 [1,0,0,1,0,0|2,0,0]=4 524 B12R2.2403 CC1(CNC2=CC=CN=C12)C MCULE-7110045972 [0,0,0,1,1,0|2,0,0]=4 525 B12R2.2403 CC1(CNC2=NC=CC=C12)C MCULE-2704739290 [0,0,0,1,1,0|2,0,0]=4 526 B14R2.11625 COC1=CC=CC=C1CNC2CC2 MCULE-1826080265 [0,0,0,1,0,1|2,0,0]=4 527 B14R2.11625 COC1=CC=CC=C1CNC2CC2 MCULE-8405785630 [0,0,0,1,0,1|2,0,0]=4 528 B14R2.11625 COC1=NC=CC=C1CNC2CC2 MCULE-1133433432 [0,0,0,1,0,1|1,0,0]=3 529 B14R2.11625 COC1=NC=CN=C1CNC2CC2 MCULE-6199573647 [0,0,0,1,0,1|0,0,0]=2 530 B14R2.11625 CSC1=NC=CN=C1CNC2CC2 MCULE-5689353689 [0,0,0,1,0,1|0,1,0]=3 531 B14R2.11625 N#CC1=C(N=CC=N1)OCC2CC2 MCULE-3877282147 [0,0,0,1,0,1|2,0,0]=4 532 B14R2.117 COC1=NC(=CC=C1OC2CC2)Br MCULE-2538985718 [0,1,0,1,0,0|2,0,0]=4 533 B14R2.3348 COC1=C(C=CC=C1)[C@@H](N)C2CC2 MCULE-6263639018 [0,1,0,1,0,0|2,0,0]=4 534 B14R2.3348 COC1=C(C=CC=C1)[C@@H](N)C2CC2 MCULE-9470544621 [0,1,0,1,0,0|2,0,0]=4 535 B14R2.3348 COC1=C(C=CC=C1)[C@H](N)C2CC2 MCULE-1114207434 [0,1,0,1,0,0|2,0,0]=4 536 B14R2.3348 COC1=C(N=CC=C1)C(N)C2CC2 MCULE-3416772038 [0,1,0,1,0,0|1,0,0]=3 537 B14R2.3348 COC1=CC=CC=C1[C@H](N)C2CC2 MCULE-1320655396 [0,1,0,1,0,0|2,0,0]=4 538 B14R2.3348 COC1=CC=CN=C1C(N)C2CC2 MCULE-4499852590 [0,1,0,1,0,0|1,0,0]=3 539 B14R2.3348 COC1=NC=CC=C1C(N)C2CC2 MCULE-4921723142 [0,1,0,1,0,0|1,0,0]=3 540 B14R2.1914 COC1=C(C=CC=N1)NC2CCC2 MCULE-3147017985 [0,1,0,1,0,0|2,0,0]=4 541 B14R2.2966 COC1=C(C=CC=C1)C2CC2CN MCULE-2255489626 [0,1,0,1,0,0|2,0,0]=4 542 B14R2.2966 COC1=C(C=CC=C1)C2CC2CO MCULE-9034973701 [0,1,0,1,0,0|2,0,0]=4 543 B14R2.2968 COC1=C(C=CC=C1)CC2(CC2)N MCULE-3470370026 [0,1,0,1,0,0|2,0,0]=4 544 B14R2.2968 COC1=C(C=CC=C1)CC2(CC2)N MCULE-3740253103 [0,1,0,1,0,0|2,0,0]=4 545 B10R1.5 CCCN1N=CC=C1SC MCULE-3474827806 [1,0,0,0,1,0|1,1,0]=4 546 B10R1.5 CNCC1=C(C=CS1)OC MCULE-9815707773 [1,0,0,0,1,0|2,0,0]=4 547 B10R1.5 CNCC1=CSN=C1OC MCULE-5300635099 [1,0,0,0,1,0|2,0,0]=4 548 B10R1.61 CC(=O)C1=C(N=CC=N1)C MCULE-8161935606 [1,0,0,0,1,0|1,0,1]=4 549 B10R1.61 CC(C)C1=C(C=CC=C1)O MCULE-1601888573 [1,0,0,0,1,0|2,0,0]=4 550 B10R1.61 CC(C)C1=C(C=CC=N1)N MCULE-2684006307 [1,0,0,0,1,0|2,0,0]=4 551 B10R1.61 CC(C)C1=C(N=CC=C1)N MCULE-5258876877 [1,0,0,0,1,0|2,0,0]=4 552 B10R1.61 CC(C)C1=C(N=CC=N1)Cl MCULE-4944409643 [1,0,0,0,1,0|1,0,0]=3 553 B10R1.61 CC(C)C1=C(N=CC=N1)N MCULE-9409348688 [1,0,0,0,1,0|1,0,0]=3 554 B10R1.61 CC(C)C1=CC=CN=C1Br MCULE-9593417750 [1,0,0,0,1,0|2,0,0]=4 555 B10R1.61 CC(C)C1=CC=CN=C1Cl MCULE-2139826759 [1,0,0,0,1,0|2,0,0]=4 556 B10R1.61 CC(C)C1=NC=CC=C1Br MCULE-1584272513 [1,0,0,0,1,0|2,0,0]=4 557 B10R1.61 CC(C)C1=NC=CC=C1O MCULE-5377890799 [1,0,0,0,1,0|1,0,0]=3 558 B10R1.61 CC(C)C1=NC=CN=C1N MCULE-4640752553 [1,0,0,0,1,0|1,0,0]=3 559 B10R1.61 CC(C)C1=NC=CNC1=O MCULE-5036131908 [1,0,0,0,1,0|0,0,2]=4 560 B10R1.61 CC(N)C1=CC=CN=C1O MCULE-6174011730 [1,0,0,0,1,0|2,0,0]=4 561 B10R1.61 CC(N)C1=CC=CN=C1O MCULE-9992837679 [1,0,0,0,1,0|2,0,0]=4 562 B10R1.61 CC(N)C1=NC=CN=C1Cl MCULE-1332439554 [1,0,0,0,1,0|2,0,0]=4 563 B10R1.61 CC(N)C1=NC=CN=C1Cl MCULE-6835214685 [1,0,0,0,1,0|2,0,0]=4 564 B10R1.61 CC(O)C1=NC=CN=C1Br MCULE-5834767979 [1,0,0,0,1,0|2,0,0]=4 565 B10R1.61 CC(O)C1=NC=CN=C1Cl MCULE-9352393627 [1,0,0,0,1,0|2,0,0]=4 566 B10R1.61 CC1=C(C=CC=C1)C(C)C MCULE-4987725573 [1,0,0,0,1,0|2,0,0]=4 567 B10R1.61 CC1=C(C=CC=N1)C(C)N MCULE-3032916923 [1,0,0,0,1,0|2,0,0]=4 568 B10R1.61 CC1=C(C=CC=N1)C(C)O MCULE-6733672521 [1,0,0,0,1,0|2,0,0]=4 569 B10R1.61 CC1=C(N=CC=C1)[C@@H](C)O MCULE-3378276735 [1,0,0,0,1,0|2,0,0]=4 570 B10R1.61 CC1=C(N=CC=N1)C(C)Br MCULE-3535374235 [1,0,0,0,1,0|1,0,0]=3 571 B10R1.61 CC1=C(N=CC=N1)C(C)N MCULE-3143703955 [1,0,0,0,1,0|1,0,0]=3 572 B10R1.61 CC1=CC=CN=C1C(C)N MCULE-2634011502 [1,0,0,0,1,0|2,0,0]=4 573 B10R1.61 CC1=CC=CN=C1C(C)N MCULE-4283792482 [1,0,0,0,1,0|2,0,0]=4 574 B10R1.61 CC1=CC=CN=C1C(C)O MCULE-3565787584 [1,0,0,0,1,0|2,0,0]=4 575 B10R1.61 CC1=CC=CN=C1N(C)C MCULE-9474065186 [1,0,0,0,1,0|2,0,0]=4 576 B10R1.61 CC1=CC=CN=C1[C@@H](C)N MCULE-1263816978 [1,0,0,0,1,0|2,0,0]=4 577 B10R1.61 CC1=CC=CN=C1[C@@H](C)N MCULE-2087979295 [1,0,0,0,1,0|2,0,0]=4 578 B10R1.61 CC1=CC=CN=C1[C@@H](C)N MCULE-4800423925 [1,0,0,0,1,0|2,0,0]=4 579 B10R1.61 CC1=CC=CN=C1[C@@H](C)N MCULE-7471229207 [1,0,0,0,1,0|2,0,0]=4 580 B10R1.61 CC1=CC=CN=C1[C@H](C)N MCULE-8564976509 [1,0,0,0,1,0|2,0,0]=4 581 B10R1.61 CC1=NC=CN=C1C(C)C MCULE-4117464401 [1,0,0,0,1,0|0,0,0]=2 582 B10R1.61 CC1=NC=CN=C1N(C)C MCULE-1531798129 [1,0,0,0,1,0|1,0,0]=3 583 B10R1.61 CC1=NC=CN=C1S(=O)C MCULE-5975475460 [1,0,0,0,1,0|2,0,0]=4 584 B10R1.61 CN(C)C1=C(C=CC=N1)O MCULE-2107939049 [1,0,0,0,1,0|2,0,0]=4 585 B10R1.61 CN(C)C1=NC=CN=C1Cl MCULE-8009948938 [1,0,0,0,1,0|2,0,0]=4 586 B10R1.61 CN(C)C1=NC=CN=C1N MCULE-6769451676 [1,0,0,0,1,0|2,0,0]=4 587 B10R1.64 CC(C)CN1C=CN=C1N MCULE-3566953074 [1,0,0,0,1,0|2,0,0]=4 588 B10R1.64 CC(C)CN1N=CC=C1Br MCULE-9764859188 [1,0,0,0,1,0|2,0,0]=4 589 B10R1.64 CC(C)CN1N=CC=C1F MCULE-7658321066 [1,0,0,0,1,0|2,0,0]=4 590 B10R1.64 CC(C)CN1N=CC=C1I MCULE-4985173752 [1,0,0,0,1,0|2,0,0]=4 591 B10R1.64 CC(C)CN1N=CC=C1N MCULE-5507490212 [1,0,0,0,1,0|2,0,0]=4 592 B10R1.64 CC(C)CN1N=CC=C1O MCULE-5535363297 [1,0,0,0,1,0|1,0,0]=3 593 B10R1.64 CC(C)CN1N=CN=C1Cl MCULE-8246407997 [1,0,0,0,1,0|2,0,0]=4 594 B10R1.64 CC(C)OC1=CC=NN1C MCULE-2210725883 [1,0,0,0,1,0|2,0,0]=4 595 B10R1.64 CC(N)CC1=CC=NN1C MCULE-1960830319 [1,0,0,0,1,0|2,0,0]=4 596 B10R1.64 CC(N)CC1=NC=CN1C MCULE-4416026262 [1,0,0,0,1,0|2,0,0]=4 597 B10R1.64 CC1=C(SC=C1)CC(C)O MCULE-7023672353 [1,0,0,0,1,0|2,0,0]=4 598 B10R1.64 CC1=C(SC=C1)SC(C)C MCULE-1732684345 [1,0,0,0,1,0|2,0,0]=4 599 B10R1.64 CC1=C(SC=N1)CN(C)C MCULE-1741283385 [1,0,0,0,1,0|2,0,0]=4 600 B10R1.64 CC1=C(SC=N1)CN(C)C MCULE-2989083361 [1,0,0,0,1,0|2,0,0]=4 601 B10R1.64 CC1=CC=NN1CC(C)C MCULE-4568670707 [1,0,0,0,1,0|1,0,0]=3 602 B10R1.64 CC1=NC=CN1CC(C)C MCULE-5211219788 [1,0,0,0,1,0|1,0,0]=3 603 B10R1.64 CC1=NC=CN1CC(C)O MCULE-3024693502 [1,0,0,0,1,0|2,0,0]=4 604 B10R1.39 CCC1=CC=NN1C(C)C MCULE-4632339283 [0,0,0,0,2,0|2,0,0]=4 605 B10R1.39 COC1=C(SC=C1)N(C)C MCULE-9366021374 [0,0,0,0,2,0|2,0,0]=4 606 B10R1.39 CSC1=CC=NN1C(C)C MCULE-9073902252 [0,0,0,0,2,0|1,1,0]=4 607 B14R1.96 COC1=CC=CC=C1C#CCC(C)C MCULE-3341886117 [0,0,0,0,0,2|2,0,0]=4 608 B14R1.96 COC1=CC=CC=C1CNCC(C)C MCULE-3197531825 [0,0,0,0,0,2|2,0,0]=4 609 B14R1.96 COC1=CC=CC=C1CNCC(C)C MCULE-5302195817 [0,0,0,0,0,2|2,0,0]=4 610 B14R1.96 COC1=NC=CN=C1CCCC(C)C MCULE-7346043791 [0,0,0,0,0,2|0,0,0]=2