0 B10R1.18 CC(=O)CC1=NC=CC=C1 F-123574 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)CC1=NC=CN=C1 F-123603 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.18 CC(N)CC1=CC=CC=C1 F-396381 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(N)CC1=NC=CC=C1 F-123576 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 CC(O)CC1=NC=CC=C1 F-123575 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.18 CC(O)CC1=NC=CN=C1 F-123602 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.8 N#CCC1=CN=CC=C1 F-368836 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.20 CN(C)CC1=CC=C(N)C=C1 F-337614 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 F-335603 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.20 NC(=S)NC1=CC=C(N)C=C1 F-277981 [0,1,0,0,0,0|2,1,0]=4 10 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 POD_63/0640 [0,1,0,0,0,0|2,1,0]=4 11 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 X-047955 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.36 CC(C)C(N)C1=CC=CC=C1 F-361520 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.40 NCC(=O)NC1=CC=CC=C1 F-367373 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.40 NCC(=O)NC1=CC=CN=C1 F-367338 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.40 NCC(=O)NC1=NC=CC=C1 F-367365 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.86 CC(=O)NC1=CC=CC=C1N F-137844 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.86 CC1=CC=CN=C1CC(C)O F-123582 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.86 NC1=CC=CC=C1CC(=O)O F-335979 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 M-057888 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.157 CC(=O)CC1=NC(C)=CC=C1 F-123593 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.157 CC(=O)CC1=NC=CC(C)=C1 F-123584 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.157 CC(C)CC1=CC(N)=CC=C1 F-453380 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.157 CC1=CC(CC(C)O)=NC=C1 F-123585 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.157 CC1=CC=CC(CC(C)O)=N1 F-123592 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 F-335651 [0,1,0,0,0,0|1,0,0]=2 26 B11R2.10 NC1=NC2=CN=CC=C2O1 F-495312 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.13 CC(=O)CN1C=CC=N1 F-368984 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.13 O=C(O)CN1C=CC=N1 T-070194 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.91 CC(=O)CSC1=CC=CC=C1 M-366620 [0,0,0,0,0,1|1,0,0]=2 30 B11R1.91 CC(=O)CSC1=NC=CC=C1 F-396334 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.91 CC(=O)CSC1=NC=CC=N1 F-396332 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.91 CC(N)COC1=CC=CC=C1 F-369336 [0,0,0,0,0,1|2,0,1]=4 33 B11R1.91 CC(N)CSC1=CC=CC=C1 F-368983 [0,0,0,0,0,1|2,0,1]=4 34 B11R1.91 CC(O)CSC1=CC=CC=C1 F-368978 [0,0,0,0,0,1|1,0,1]=3 35 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z-097232 [0,0,0,0,0,1|1,0,0]=2 36 B8R1.2 SCC1=CC=CN=C1 F-397069 [2,0,0,0,0,0|1,1,0]=4 37 B8R1.2 SCC1=NC=CC=C1 F-397070 [2,0,0,0,0,0|1,1,0]=4 38 B10R1.1 COCC1=CC=C(N)C=C1 F-369205 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.10 CCCC1=CC(N)=CC=C1 F-453379 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C-029533 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.17 N#CCSC1=CC=CC=C1 Z-097233 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 F-369319 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F-332141 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.113 CC(O)C1=CC(F)=CC=C1 F-367199 [0,1,0,0,1,0|1,0,1]=4 45 B10R1.113 O=C(Cl)C1=CN=CC(Br)=C1 F-393296 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 M-366673 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 POD_22/0305 [0,1,0,0,0,1|1,0,1]=4 48 B12R1.21 CC(O)CSC1=CC=C(Cl)C=C1 F-368980 [0,1,0,0,0,1|1,0,1]=4 49 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 E-098362 [0,1,0,0,0,1|0,0,0]=2 50 B12R1.21 CC1=CC=C(SCC(C)O)C=C1 F-368979 [0,1,0,0,0,1|1,0,1]=4 51 B12R1.21 CC1=CC=C(SCC(N)=O)C=C1 M-328798 [0,1,0,0,0,1|1,0,0]=3 52 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 F-443598 [0,1,0,0,0,1|1,0,0]=3 53 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 POD_69/0202 [0,1,0,0,0,1|1,0,0]=3 54 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 Z-089123 [0,1,0,0,0,1|1,0,0]=3 55 B12R1.21 NC(=O)CSC1=CC=C(Cl)C=C1 C-017450 [0,1,0,0,0,1|1,0,0]=3 56 B12R1.21 NC(=O)CSC1=CC=C(N)C=C1 C-017390 [0,1,0,0,0,1|1,0,0]=3 57 B12R1.27 COC(=O)CSC1=NC=CC=N1 M-604849 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.27 NCC(=O)NCC1=CC=CC=C1 F-367352 [0,1,0,0,0,1|1,0,0]=3 59 B12R1.27 NCC(=O)NCC1=CN=CC=C1 F-367362 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl F-361415 [0,1,0,0,0,1|1,0,0]=3 61 B12R1.125 NC1=C(OCC(=O)[O-])C=CC=C1 POD_77/0647 [0,1,0,0,0,1|0,0,1]=3 62 B12R1.226 CC1=CC=CC(OCC(=O)Cl)=C1 F-393229 [0,1,0,0,0,1|1,0,0]=3 63 B12R1.226 NC(=O)COC1=CC=CC(N)=C1 F-361531 [0,1,0,0,0,1|1,0,0]=3 64 B12R1.226 NC(=O)\C=C\C1=CC(Br)=CC=C1 F-416284 [0,1,0,0,0,1|1,0,1]=4 65 B12R1.226 NC1=CC=CC(OCC(=O)O)=C1 F-311958 [0,1,0,0,0,1|0,0,0]=2 66 B12R1.226 O=C(Cl)\C=C\C1=CC(Br)=CC=C1 F-416283 [0,1,0,0,0,1|1,0,1]=4 67 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 F-452460 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.19 CC(=O)NC1=CC=C(C)C(N)=C1 F-429421 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 F-335591 [0,2,0,0,0,0|0,0,0]=2 70 B12R1.49 NCC(=O)NC1=CC=C(Cl)C=C1 F-367380 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F-367385 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.49 N\C(CC1=CC=C(F)C=C1)=N/O F-020492 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.49 O=C(CS)NC1=CC=C(Cl)C=C1 M-316814 [0,2,0,0,0,0|1,1,0]=4 74 B12R1.233 CC(=O)NC1=C(Br)C=C(N)C=C1 F-429602 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.233 CC(=O)NC1=C(C)C=C(N)C=C1 Z-007600 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 M-057889 [0,2,0,0,0,0|0,0,0]=2 77 B12R1.32 NCCC(=O)NC1=CC=CC=C1 F-367288 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.32 NCCS(=O)CC1=CC=CC=C1 F-397007 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.50 CC1=CC=CC(NC(=O)CS)=C1 M-196984 [0,2,0,0,0,0|1,1,0]=4 80 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 F-335652 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 F-335638 [0,2,0,0,0,0|0,0,0]=2 82 B12R1.50 NCC(=O)NC1=CC(Br)=CC=C1 F-367384 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.50 NCC(=O)NC1=CC(F)=CC=C1 F-367407 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.50 NNC(=O)CC1=CC(Cl)=CC=C1 M-057257 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.50 O=C(CS)NC1=CC(Cl)=CC=C1 F-399725 [0,2,0,0,0,0|1,1,0]=4 86 B12R1.50 O=C(CS)NC1=CC(F)=CC=C1 F-399726 [0,2,0,0,0,0|1,1,0]=4 87 B12R1.371 CC1=C(NC(=O)CN)C=CC=C1 R-064142 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.371 CC1=CC=CC=C1NC(=O)CS F-333006 [0,2,0,0,0,0|1,1,0]=4 89 B12R1.371 CCC(=O)NC1=C(N)C=CC=C1 F-445573 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.371 NCC(=O)NC1=C(Cl)C=CC=C1 F-367379 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.371 NCC(=O)NC1=C(F)C=CC=C1 F-367406 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.371 NNC(=O)CC1=CC=CC=C1Cl M-272960 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.127 CC(=O)NC1=C(N)C=CC(Br)=C1 F-497783 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.127 CC(=O)NC1=C(N)C=CC(C)=C1 F-497780 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.127 CC(=O)NC1=C(N)C=CC(Cl)=C1 F-497782 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.101 CC(=O)CC1=NC(C)=CC(C)=C1 F-123594 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.438 CC(=O)NC1=CC(C#N)=CC=C1 X-000592 [0,2,0,0,0,0|2,0,0]=4 98 B12R2.24 CC1=NC2=CC=CC=C2SC1 F-399780 [0,0,0,1,0,1|2,0,0]=4 99 B12R2.24 ClC1=NC2=CC=CC=C2SC1 F-333012 [0,0,0,1,0,1|2,0,0]=4 100 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 POD_20/0974 [0,0,0,1,0,1|1,0,0]=3 101 B12R2.606 CC1=NC2=CC(N)=CC=C2O1 F-498490 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.606 CC1=NC2=CC=C(N)C=C2O1 F-498494 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.606 NC1=CC2=C(C=C1)N=C(O)S2 Z-052283 [0,1,0,1,0,0|1,1,0]=4 104 B12R2.606 NC1=CC=C2N=C(N)OC2=C1 F-496521 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.606 NC1=CC=C2OC(N)=NC2=C1 F-496520 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 F-400260 [0,1,0,1,0,0|1,1,0]=4 107 B12R2.606 OC1=NC2=CC(Cl)=CC=C2S1 F-495561 [0,1,0,1,0,0|1,1,0]=4 108 B12R2.606 OC1=NC2=CC=C(Cl)C=C2S1 F-495563 [0,1,0,1,0,0|1,1,0]=4 109 B12R2.18 O=C1CC2=CC=CC=C2C1Br F-367238 [0,1,0,1,0,0|1,0,0]=3 110 B12R2.202 CC1=C2N=C(O)SC2=CC=C1 F-495535 [0,1,0,1,0,0|1,1,0]=4 111 B12R2.202 O=C1NC2=CC=CC(Cl)=C2N1 F-494956 [0,1,0,1,0,0|2,0,0]=4 112 B12R2.202 OC1=NC2=C(Br)C=CC=C2S1 F-495558 [0,1,0,1,0,0|1,1,0]=4 113 B12R2.202 OC1=NC2=C(Cl)C=CC=C2S1 F-495559 [0,1,0,1,0,0|1,1,0]=4 114 B12R2.202 OC1=NC2=C(F)C=CC=C2S1 F-495560 [0,1,0,1,0,0|1,1,0]=4 115 B12R1.252 O=C(O)CCSC1=NC=CC=N1 F-332763 [0,0,0,0,0,2|2,0,0]=4 116 B12R1.252 O=C(O)CNCC1=CC=CC=C1 F-407625 [0,0,0,0,0,2|0,0,0]=2