0 B8R1.1 CNC1=NC(C)=CS1 AB-601/30915021 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.1 OCC1=CN=CN1 AB-131/25126047 [1,0,0,0,0,0|2,0,0]=3 2 B7R1.1 OCC1=COC=C1 AE-641/00180028 [1,0,0,0,0,0|2,0,0]=3 3 B7R1.1 OCC1=NC=CN1 AR-527/43293956 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.2 CC1=CC(C)=NN1 AE-848/32586026 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.2 CC1=CNC(C)=N1 AC-907/25014081 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.2 CC1=CNC(S)=N1 AP-836/33429062 [1,0,0,0,0,0|2,1,0]=4 7 B7R1.2 CC1=CSC(=S)N1 AB-601/30915006 [1,0,0,0,0,0|2,1,0]=4 8 B7R1.2 CC1=NC(O)=NN1 AC-907/25004250 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.2 IC1=CC=C(I)S1 AI-942/42301759 [1,0,0,0,0,0|2,1,0]=4 10 B7R1.2 O=C1NC(O)=CS1 AC-907/30002002 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.7 CC1=CC=C(SC#N)N1 AI-942/25121076 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.7 CC1=CC=C(\C=N\O)S1 AI-942/25034261 [0,1,0,0,0,0|0,1,1]=3 13 B9R1.23 CC1=C(Br)C=C(C=O)S1 AN-584/11663464 [0,1,0,0,0,0|0,1,2]=4 14 B9R1.35 CC1=CC=C(C(=O)O)S1 AI-942/25034216 [0,1,0,0,0,0|0,1,1]=3 15 B9R1.35 CC1=CSC(C(=O)O)=C1 AI-942/25034215 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.35 O=C(O)C1=CC=C(Br)O1 AE-641/00180017 [0,1,0,0,0,0|1,0,1]=3 17 B7R0.4 C\C=C\C=C\C(=O)O AN-651/40229308 [0,0,1,0,0,0|2,0,1]=4 18 B9R1.1 CCC1=CC=C(C)N=C1 AC-907/25014214 [0,0,0,0,0,1|2,0,0]=3 19 B9R1.1 CN1CC=C(CO)CC1 AO-365/40153223 [0,0,0,0,0,1|2,0,1]=4 20 B9R1.1 ClCC1=CN=C(Cl)C=C1 AN-717/25052001 [0,0,0,0,0,1|3,0,0]=4 21 B9R1.1 NCC1=CC=C(Br)C=C1 AE-562/43286501 [0,0,0,0,0,1|3,0,0]=4 22 B9R1.1 NCC1=CC=C(I)C=C1 AE-562/43460670 [0,0,0,0,0,1|3,0,0]=4 23 B9R1.1 OCC1=CC=C(Cl)C=C1 AB-131/40228314 [0,0,0,0,0,1|2,0,0]=3 24 B9R1.2 CC1=NC(C#N)=CC=C1 AK-830/25033026 [0,0,0,0,0,1|2,0,1]=4 25 B9R1.2 CSC1=NC=CC(C)=N1 AR-527/42979548 [0,0,0,0,0,1|3,0,0]=4 26 B9R1.2 NCC1=CC(Br)=CC=C1 AE-562/11384036 [0,0,0,0,0,1|3,0,0]=4 27 B6R1.2 CC1=CN=CN1 AL-398/25017073 [2,0,0,0,0,0|2,0,0]=4 28 B6R1.2 NC1=NC=CO1 AN-584/43408342 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.7 O=C(O)C1=CC=CN1 AC-907/25014066 [1,1,0,0,0,0|1,0,1]=4 30 B8R1.7 O=C(O)C1=CC=CO1 AC-907/25014051 [1,1,0,0,0,0|0,0,1]=3 31 B8R1.7 O=C(O)C1=CC=C[Se]1 AI-942/25034662 [1,1,0,0,0,0|0,1,1]=4 32 B8R1.8 OCCC1=NC=CN1 AR-527/43293965 [1,1,0,0,0,0|2,0,0]=4 33 B8R1.8 O\N=C\C1=CC=CN1 AN-308/25123037 [1,1,0,0,0,0|1,0,1]=4 34 B8R1.11 CN1C=CN=C1CO AE-848/30896059 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.1 CC1=CC=C(CCN)C=C1 AE-562/42006047 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.3 OCC1=CN=C(CO)C=C1 AO-289/25117026 [0,1,0,0,0,1|1,0,0]=3 37 B10R1.13 CC1=CC=C(C(=O)O)C=C1 AB-131/40170882 [0,1,0,0,0,1|1,0,1]=4 38 B10R1.25 NC1=CC=C(CO)C(Cl)=C1 AN-584/43417487 [0,1,0,0,0,1|2,0,0]=4 39 B10R1.176 OCC1=CC=C(O)C(Br)=N1 AP-501/43408177 [0,1,0,0,0,1|2,0,0]=4 40 B10R1.10 CCOC1=CC=NC(C)=N1 AC-907/34119015 [0,1,0,0,0,1|2,0,0]=4 41 B10R1.30 CC1=CC=C(O)C(CO)=C1 AE-562/43461492 [0,1,0,0,0,1|1,0,0]=3 42 B10R1.30 CC1=NC(CO)=C(O)C=C1 AJ-333/25022097 [0,1,0,0,0,1|1,0,0]=3 43 B10R1.30 NC1=NC=C(Br)C(CO)=N1 AN-584/43409797 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.30 OCC1=C(I)C=CC(Cl)=C1 AE-641/25069012 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.113 CC1=CC=CC(C(=O)O)=C1 AB-131/40222909 [0,1,0,0,0,1|1,0,1]=4 46 B10R1.113 CC1=CC=CC(C(=O)O)=N1 AO-801/41077373 [0,1,0,0,0,1|1,0,1]=4 47 B10R1.113 O=C1C=CC=C(C(=O)O)O1 AE-562/43459491 [0,1,0,0,0,1|1,0,1]=4 48 B10R1.31 CCC1=CC=C(C(=O)O)S1 AI-942/25034437 [0,2,0,0,0,0|0,1,1]=4 49 B10R1.31 COC1=CC=C(C(=O)O)S1 AI-942/25121080 [0,2,0,0,0,0|0,1,1]=4 50 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 AI-942/25034163 [0,2,0,0,0,0|0,1,1]=4 51 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 AI-942/25034428 [0,2,0,0,0,0|0,1,1]=4 52 B8R1.2 OCC1=CC=CC=N1 AE-641/00340018 [0,0,1,1,0,0|1,0,1]=4 53 B8R1.3 CC1=CC=C(O)C=N1 AC-907/25014124 [0,0,1,1,0,0|1,0,1]=4 54 B8R1.5 OC1=C(O)C=CC=C1 AB-131/40235236 [0,0,1,1,0,0|0,0,2]=4 55 B8R1.5 OC1=C(O)N=CC=C1 AC-907/25014062 [0,0,1,1,0,0|1,0,1]=4