0 B11R1.91 CC(=O)CSC1=CC=CC=C1 M-366620 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 CC(=O)CSC1=NC=CC=C1 F-396334 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.91 CC(C)NCC1=CC=CN=C1 F-162129 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 CC(N)COC1=CC=CC=C1 F-369336 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.91 CC(N)CSC1=CC=CC=C1 F-368983 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.91 CC(O)CSC1=CC=CC=C1 F-368978 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z-097232 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 CCNCC1=CC=CN=C1 M-872192 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 N#CCSC1=CC=CC=C1 Z-097233 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.17 OCCSC1=NC=CC=N1 F-332759 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 F-369319 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 M-366673 [0,1,0,0,0,0|1,0,2]=4 12 B12R1.21 CC(C)OCC1=CC=C(N)C=C1 F-369207 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.21 CC(N)COC1=CC=C(F)C=C1 F-369341 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.21 CC(N)CSC1=CC=C(Cl)C=C1 F-368981 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.21 CC(O)CNC1=CC=C(Cl)N=N1 F-367537 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.21 CC(O)CNC1=CC=C(O)N=N1 F-396445 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.21 CC(O)CSC1=CC=C(Cl)C=C1 F-368980 [0,1,0,0,0,0|1,0,0]=2 18 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 F-369338 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 E-098362 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.21 CC1=CC=C(SCC(C)N)C=C1 F-368982 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.21 CC1=CC=C(SCC(C)O)C=C1 F-368979 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 F-443598 [0,1,0,0,0,0|1,0,2]=4 23 B12R1.27 NCC(=O)NCC1=CC=CC=C1 F-367352 [0,1,0,0,0,0|1,0,2]=4 24 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 F-379333 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.226 NC1=CC=CC(OCC(=O)O)=C1 F-311958 [0,1,0,0,0,0|2,0,1]=4 26 B12R2.24 CC1=NC2=CC=CC=C2SC1 F-399780 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.18 CC(=O)CC1=NC=CC=C1 F-123574 [0,0,0,0,1,0|1,0,2]=4 28 B10R1.18 CC(N)CC1=CC=CC=C1 F-396381 [0,0,0,0,1,0|1,0,0]=2 29 B10R1.18 CC(N)CC1=NC=CC=C1 F-123576 [0,0,0,0,1,0|2,0,0]=3 30 B10R1.18 CC(N)CC1=NC=CN=C1 F-123601 [0,0,0,0,1,0|3,0,0]=4 31 B10R1.18 CC(O)CC1=NC=CC=C1 F-123575 [0,0,0,0,1,0|1,0,0]=2 32 B10R1.18 CC(O)CC1=NC=CN=C1 F-123602 [0,0,0,0,1,0|2,0,0]=3 33 B12R1.252 CC(C)CNCC1=CN=CC=C1 Z-006626 [0,0,0,0,0,1|2,0,0]=3 34 B12R1.252 O=C(O)CNCC1=CC=CC=C1 F-407625 [0,0,0,0,0,1|1,0,1]=3 35 B11R1.1 CCCNC1=CC=C(Br)C=C1 C-086316 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.1 CCCNC1=CC=C(C)C=C1 C-086307 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.1 CCCNC1=CC=C(Cl)C=C1 C-086311 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.1 CCCNC1=CC=C(F)C=C1 C-086317 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.1 CCNCC1=CC=C(Cl)N=C1 F-368953 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.1 CCOCC1=CC=C(N)C=C1 F-369206 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.1 NC1=CC=C(SCCO)C=C1 F-428588 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.16 NCCC(O)C1=CC=CC=C1 F-396612 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.17 CCCNC1=C(Cl)C=CC=C1 C-086310 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.17 NCCSC1=C(N)C=CC=C1 POD_16/0196 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.28 C#CCNCC1=CC=CC=C1 Q-013171 [1,1,0,0,0,0|0,0,2]=4 46 B11R1.28 CNCCSC1=CC=CC=C1 F-361498 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.28 ClCCSCC1=CC=CC=C1 F-369094 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.28 NCCCOC1=CC=CC=C1 F-332150 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.28 NCCSCC1=CN=CC=C1 F-396998 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.28 NCCSCC1=NC=CC=C1 F-396996 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.28 OCCSCC1=CC=CC=C1 F-369096 [1,1,0,0,0,0|0,0,0]=2 52 B11R1.28 OCCSCC1=CC=CC=N1 E-003363 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.28 OCCSCC1=CC=CN=C1 E-003364 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.40 CNC(C)CC1=NC=CC=C1 F-123577 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.20 CN(C)CC1=CC=C(N)C=C1 F-337614 [0,1,0,0,1,0|2,0,0]=4 56 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 X-047955 [0,1,0,0,1,0|1,0,1]=4 57 B11R1.36 CC(C)C(N)C1=CC=CC=C1 F-361520 [0,1,0,0,1,0|1,0,0]=3 58 B11R1.86 CC1=CC=CN=C1CC(C)N F-123581 [0,1,0,0,1,0|2,0,0]=4 59 B11R1.86 CC1=CC=CN=C1CC(C)O F-123582 [0,1,0,0,1,0|1,0,0]=3 60 B11R1.86 NC1=CC=CC=C1CC(=O)O F-335979 [0,1,0,0,1,0|1,0,1]=4 61 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 M-057888 [0,1,0,0,1,0|1,0,1]=4 62 B11R1.157 CC(C)CC1=CC(N)=CC=C1 F-453380 [0,1,0,0,1,0|1,0,0]=3 63 B11R1.157 CC1=CC(CC(C)N)=NC=C1 F-123586 [0,1,0,0,1,0|2,0,0]=4 64 B11R1.157 CC1=CC(CC(C)O)=NC=C1 F-123585 [0,1,0,0,1,0|1,0,0]=3 65 B11R1.157 CC1=CC=CC(CC(C)N)=N1 F-123591 [0,1,0,0,1,0|2,0,0]=4 66 B11R1.157 CC1=CC=CC(CC(C)O)=N1 F-123592 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.149 CC1=CC=CC(CSCC(=O)O)=C1 M-880280 [0,1,0,0,0,1|1,0,1]=4 68 B13R1.351 CC(Cl)C(=O)NCC1=CC=CC=C1 F-399156 [0,1,0,0,0,1|1,0,1]=4 69 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O F-312187 [0,1,0,0,0,1|1,0,1]=4 70 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 F-222692 [0,1,0,0,0,1|1,0,1]=4 71 B13R1.513 NC1=CC=C(OCCC(=O)O)C=C1 T-028796 [0,1,0,0,0,1|1,0,1]=4 72 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 F-367357 [0,1,0,0,0,1|0,0,2]=4 73 B13R1.3 CC(C)CNC1=CC=C(C#N)C=C1 F-332576 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.3 COC1=CC=C(OCC(C)N)C=C1 F-369339 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.133 CC(CC1=CC=C(Cl)C=C1)C(=O)O F-361377 [0,2,0,0,0,0|1,0,1]=4 76 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O F-361376 [0,2,0,0,0,0|1,0,1]=4 77 B13R1.133 CC1=CC=C(CC(C)C(=O)O)C=C1 F-361375 [0,2,0,0,0,0|1,0,1]=4 78 B13R1.148 CC(CC1=CC(Cl)=CC=C1)C(=O)O F-361387 [0,2,0,0,0,0|1,0,1]=4 79 B13R1.202 CC(CC1=C(Cl)C=CC=C1)C(=O)O F-361386 [0,2,0,0,0,0|1,0,1]=4 80 B13R1.347 CC(=O)CC(C)(C)C1=CC=CC=C1 X-076549 [0,2,0,0,0,0|0,0,2]=4 81 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 F-361475 [0,2,0,0,0,0|1,0,1]=4 82 B13R1.347 CC(O)CS(=O)(=O)C1=CC=CC=C1 F-369008 [0,2,0,0,0,0|1,0,0]=3 83 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 F-369012 [0,2,0,0,0,0|1,0,1]=4 84 B13R2.527 NC1=CC=C(OCC2CC2)C=C1 F-332283 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.3587 NC1=C(OCC2CC2)C=CC=C1 F-332285 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.3587 NC1=CC=CC=C1SCC2CC2 F-332224 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.5331 NC1=CC(OCC2CC2)=CC=C1 F-332284 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.12 NCCCC1=CC=CO1 F-361732 [1,0,0,0,1,0|2,0,0]=4 89 B9R1.12 OCCCC1=CNN=C1 F-405910 [1,0,0,0,1,0|2,0,0]=4 90 B9R1.6 CC(N)C1=CC=NC=C1 Q-019938 [0,0,0,0,2,0|2,0,0]=4 91 B9R1.6 CC(N)C1=CN=CC=C1 F-203581 [0,0,0,0,2,0|2,0,0]=4 92 B9R1.6 CC(N)C1=NC=CC=C1 F-206695 [0,0,0,0,2,0|2,0,0]=4 93 B9R1.13 CC(O)CN1C=CC=N1 F-368985 [0,0,0,0,2,0|2,0,0]=4