0 B11R1.279 COC1=CC(Br)=C(NN)C=C1 F-435442 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.3 CCC1=CC=C(CN)C=C1 F-452455 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.3 CSC1=CC=C(C#N)C=C1 F-453394 [1,0,0,0,0,0|1,1,1]=4 3 B10R1.3 CSC1=CC=C(CN)C=C1 F-452459 [1,0,0,0,0,0|1,1,1]=4 4 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 F-415537 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.25 CC1=CC(Br)=C(NN)C=C1 F-435443 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.25 O=CC1=CC=C(O)C=C1Cl F-453388 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.176 CCC1=CC(N)=C(C)C=C1 F-453381 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.176 CCC1=CC=C(N)C(S)=C1 F-495550 [1,0,0,0,0,0|2,1,0]=4 9 B12R1.78 COC1=CC(C#N)=C(OC)C=C1 F-431622 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.452 COC1=CC=C(N(C)C)C(N)=C1 F-432306 [0,1,0,0,0,0|3,0,0]=4 11 B12R2.44 COC1=CC2=C(C=C1)N=NN2 F-456295 [0,0,0,1,0,0|3,0,0]=4 12 B12R2.44 COC1=CC2=C(C=C1)NC=N2 R-015635 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.35 CCC1=CN(C)C(C=O)=C1 F-453680 [0,0,0,0,1,0|3,0,0]=4 14 B9R1.69 OC1=CC=C(F)C(Cl)=C1 F-443345 [2,0,0,0,0,0|2,0,0]=4 15 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 F-502322 [1,1,0,0,0,0|1,0,0]=3 16 B11R1.3 COC1=CC=C(C(=N)N)C=C1 Z-002943 [1,1,0,0,0,0|1,0,0]=3 17 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 F-453392 [1,1,0,0,0,0|1,1,0]=4 18 B11R1.83 CCNC1=CC=C(OC)C=C1 C-086047 [1,1,0,0,0,0|1,0,1]=4 19 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 F-495326 [1,1,0,0,0,0|2,0,0]=4 20 B11R1.166 NC(=O)C1=C(Br)C=C(Cl)C=C1 F-495319 [1,1,0,0,0,0|2,0,0]=4 21 B11R1.166 NC(=O)C1=C(Br)C=C(N)C=C1 F-428569 [1,1,0,0,0,0|2,0,0]=4 22 B11R1.166 NC(=O)C1=C(Cl)C=C(Br)C=C1 F-495316 [1,1,0,0,0,0|2,0,0]=4 23 B11R1.166 NC(=O)C1=C(Cl)C=C(I)C=C1 F-499285 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.166 NC(=O)C1=C(F)C=C(Br)C=C1 F-495420 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.166 O=C(Cl)C1=C(Br)C=C(Br)C=C1 F-495325 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.166 O=C(Cl)C1=C(Br)C=C(Cl)C=C1 F-495320 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.166 O=C(Cl)C1=C(Cl)C=C(Br)C=C1 F-495315 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.166 O=C(Cl)C1=C(Cl)C=C(I)C=C1 F-499284 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.166 O=C(Cl)C1=C(F)C=C(Br)C=C1 F-495419 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 F-495324 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 F-495321 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 F-495313 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 F-495417 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 F-432044 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.166 O=C(O)C1=C(O)C=C(I)C=C1 F-432045 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.166 O=C(O)C1=CC=C(I)C=C1Cl F-277926 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.14 COC1=CC(Cl)=C(N)C(N)=C1 F-498175 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.192 CCOC1=CC(N)=C(Br)C=C1 F-443459 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.192 CCOC1=CC(N)=C(Cl)C=C1 F-443460 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.192 CCOC1=CC(N)=C(I)C=C1 F-443458 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.192 CCOC1=CC=C(O)C(N)=C1 F-494954 [1,1,0,0,0,0|1,0,1]=4 42 B13R1.120 O=C(O)C1=C(O)C=C([N+](=O)[O-])C=C1 F-432047 [0,2,0,0,0,0|2,0,0]=4 43 B13R1.99 COC1=CC(OC)=C(C(C)N)C=C1 F-361443 [0,2,0,0,0,0|1,0,1]=4 44 B13R1.2430 COC1=CC(C(=O)O)=C(OC)C=C1 F-431617 [0,2,0,0,0,0|2,0,0]=4 45 B13R1.653 COC1=CC(N)=C(NC(C)=O)C=C1 F-445571 [0,2,0,0,0,0|1,0,0]=3 46 B13R1.385 N#CSC1=CC(O)=C(C(=O)O)C=C1 F-432046 [0,2,0,0,0,0|0,1,1]=4 47 B13R2.654 COC1=CC(Cl)=C2NC=NC2=C1 F-498171 [0,1,0,1,0,0|2,0,0]=4 48 B13R2.2121 COC1=CC=C2N=C(N)NC2=C1 F-494950 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.2121 COC1=CC=C2OC(N)=NC2=C1 F-494953 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.21 CCC1=CC=C(C=O)N1 F-452295 [1,0,0,0,1,0|2,0,0]=4 51 B9R1.21 CCC1=CNC(C=O)=C1 F-453679 [1,0,0,0,1,0|2,0,0]=4 52 B11R1.9 COC1=CC(C=O)=CC(F)=C1 F-369185 [0,0,0,0,1,1|1,0,0]=3