0 B12R1.51 CCOC(=O)CCC1=CSC=C1 6952AC [0,0,0,0,0,0|2,0,0]=2 1 B12R1.51 N#CCC(=O)NCC1=CC=CO1 6427AE [0,0,0,0,0,0|3,0,1]=4 2 B12R1.51 NCCC(=O)NCC1=CC=CO1 2260AD [0,0,0,0,0,0|3,0,0]=3 3 B12R1.51 O=C(CCCl)NCC1=CC=CO1 7254AE [0,0,0,0,0,0|3,0,0]=3 4 B12R1.51 O=C(CCCl)NCC1=CC=CS1 7265AD [0,0,0,0,0,0|3,1,0]=4 5 B11R1.4 CCCCOCC1=CC=CO1 Y1589 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.25 CNC(C)CCC1=CC=CO1 5055AD [1,0,0,0,0,0|2,0,1]=4 7 B11R1.25 COC(=O)CCC1=CC=CS1 8609AA [1,0,0,0,0,0|0,1,0]=2 8 B11R1.25 NCC(=O)NCC1=CC=CO1 0043AD [1,0,0,0,0,0|2,0,0]=3 9 B11R1.25 O=C(CCl)NCC1=CC=CS1 7266AD [1,0,0,0,0,0|2,1,0]=4 10 B13R1.33 CCOC(=O)CC(=O)C1=COC=C1 W5800 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.33 CCOC(=O)CC(=O)C1=NC=CS1 4071AJ [0,1,0,0,0,0|1,1,1]=4 12 B13R1.33 CCOC(=O)CC(N)C1=CC=CS1 3615AF [0,1,0,0,0,0|0,1,0]=2 13 B13R1.41 CCOC(=O)CSC1=CN=C(N)S1 W8838 [0,1,0,0,0,0|2,1,0]=4 14 B13R1.444 CCOC(=O)CCC1=CNC=C1C 5956AA [0,1,0,0,0,0|2,0,0]=3 15 B13R1.444 CCOC(=O)CCN1C=CN=C1C 9894AA [0,1,0,0,0,0|3,0,0]=4 16 B11R1.30 CCOC(=O)CC1=CSC=N1 6665AJ [0,0,0,0,1,0|2,0,0]=3 17 B11R1.30 CCOC(=O)CC1=NC=CS1 W3087 [0,0,0,0,1,0|1,1,0]=3 18 B11R1.30 CCOC(=O)CC1=NNC=C1 8330AH [0,0,0,0,1,0|2,0,0]=3 19 B11R1.30 CCOC(=O)CN1C=CC=N1 0534AA [0,0,0,0,1,0|2,0,0]=3 20 B11R1.30 CCOC(=O)CN1C=NC=N1 5741AE [0,0,0,0,1,0|3,0,0]=4 21 B11R1.30 CCOC(=O)NC1=CC=CS1 5602AJ [0,0,0,0,1,0|1,1,0]=3 22 B13R1.42 C=COC(=O)CCC1=CC=CC=C1 7884AB [0,0,0,0,0,1|1,0,2]=4 23 B13R1.42 CCOC(=O)C#CC1=CN=CC=C1 6710AJ [0,0,0,0,0,1|1,0,2]=4 24 B13R1.42 CCOC(=O)\C=C\C1=CC=CN=C1 V6833 [0,0,0,0,0,1|1,0,2]=4 25 B10R0.1 C=CCNCCC(=O)OCC 3858AE [1,0,1,0,0,0|1,0,1]=4 26 B10R1.21 CNCCCC1=CC=CO1 5597AD [2,0,0,0,0,0|1,0,1]=4 27 B10R1.66 CC(=O)CCN1C=CC=N1 2604AF [2,0,0,0,0,0|2,0,0]=4 28 B10R1.66 CC(N)CCC1=CC=CO1 9476AE [2,0,0,0,0,0|1,0,1]=4 29 B10R1.66 NC(=O)NCC1=CC=CO1 8875AB [2,0,0,0,0,0|2,0,0]=4 30 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.66 O=C(O)CCC1=CC=NO1 6864AC [2,0,0,0,0,0|1,0,0]=3 32 B10R1.66 O=C(O)CCC1=CNC=N1 Y6981 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.15 COC(=O)CC(=O)C1=CC=CS1 3872AD [1,1,0,0,0,0|0,1,1]=4 34 B12R1.26 COC(=O)CCN1C=C(Br)C=N1 7251AC [1,1,0,0,0,0|2,0,0]=4 35 B12R1.264 CC(N)C(=O)NCC1=CC=CO1 2813AD [1,1,0,0,0,0|1,0,0]=3 36 B12R1.31 CCOC(=O)CC1=CSC(Br)=N1 4016AJ [0,1,0,0,1,0|2,0,0]=4 37 B12R1.31 CCOC(=O)CC1=CSC(Cl)=N1 V6062 [0,1,0,0,1,0|2,0,0]=4 38 B12R1.31 CCOC(=O)CC1=CSC(S)=N1 1429AB [0,1,0,0,1,0|2,0,0]=4 39 B12R1.31 CCOC(=O)CC1=NC(C)=CS1 7122AB [0,1,0,0,1,0|1,1,0]=4 40 B12R1.31 CCOC(=O)CN1C=C(C)C=N1 0033AD [0,1,0,0,1,0|2,0,0]=4 41 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 9645AB [0,1,0,0,0,1|1,0,0]=3 42 B14R1.29 CCOC(=O)CS(=O)C1=CC=CC=C1 8807AL [0,1,0,0,0,1|2,0,0]=4 43 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 3269AB [0,1,0,0,0,1|1,0,0]=3 44 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CN=C1 3308AL [0,1,0,0,0,1|1,0,0]=3 45 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 3270AB [0,1,0,0,0,1|1,0,0]=3 46 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CN=C1 3312AL [0,1,0,0,0,1|1,0,0]=3 47 B14R1.32 CCOC(=O)CCC1=CC=CC(Br)=C1 5520AB [0,1,0,0,0,1|1,0,0]=3 48 B14R1.32 CCOC(=O)CNC1=CC=CC(C)=C1 7455AD [0,1,0,0,0,1|2,0,0]=4 49 B14R1.32 CCOC(=O)COC1=CC=CC(Br)=C1 V2796 [0,1,0,0,0,1|2,0,0]=4 50 B14R1.32 CCOC(=O)COC1=CC=CC(F)=C1 6660AJ [0,1,0,0,0,1|2,0,0]=4 51 B14R1.32 CCOC(=O)COC1=CC=CC(I)=C1 2843AF [0,1,0,0,0,1|2,0,0]=4 52 B14R1.60 CCNC(=O)C(N)CC1=CC=CC=C1 3092AD [0,1,0,0,0,1|2,0,0]=4 53 B14R1.60 CCOC(=O)C(N)CC1=NC=CC=C1 0821AA [0,1,0,0,0,1|1,0,0]=3 54 B14R1.502 CCOC(=O)CCC1=CC=C(C)C=C1 1044AC [0,1,0,0,0,1|1,0,0]=3 55 B14R1.502 CCOC(=O)CNC1=CC=C(I)C=C1 4200AD [0,1,0,0,0,1|2,0,0]=4 56 B14R1.598 CCOC(=O)CCC1=CC=CC=C1Cl 3216AB [0,1,0,0,0,1|1,0,0]=3 57 B14R1.598 CCOC(=O)CNC1=CC=CC=C1C 8356AE [0,1,0,0,0,1|2,0,0]=4 58 B14R1.598 CCOC(=O)COC1=CC=CC=C1Br V8949 [0,1,0,0,0,1|2,0,0]=4 59 B14R1.598 CCOC(=O)COC1=CC=CN=C1Br 0662AF [0,1,0,0,0,1|2,0,0]=4 60 B14R1.3224 CC(C)C(N)C(=O)NCC1=CC=CO1 2801AD [0,2,0,0,0,0|2,0,0]=4 61 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 8900AA [0,0,1,1,0,0|2,0,0]=4 62 B12R1.17 CCOC(=O)C1CC(=O)C=CO1 2838AB [0,0,1,1,0,0|1,0,1]=4 63 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8707AC [0,0,0,1,0,1|2,0,0]=4 64 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8429AB [0,0,0,1,0,1|2,0,0]=4 65 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 2822AB [0,0,0,1,0,1|2,0,0]=4 66 B14R2.322 C1=COC(CNCC2CCCO2)=C1 1042AE [0,0,0,1,0,1|1,0,1]=4 67 B10R1.27 COC(=O)CC1=CSC=C1 3590AL [1,0,0,0,1,0|2,0,0]=4 68 B10R1.11 CCCC(=O)C1=CC=CO1 Z5524 [0,0,0,0,2,0|1,0,0]=3 69 B10R1.11 CCOC(=O)C1=CNC=C1 Z4680 [0,0,0,0,2,0|2,0,0]=4 70 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [1,0,0,0,0,1|1,0,0]=3 71 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [1,0,0,0,0,1|1,0,0]=3 72 B12R1.27 COC(=O)NCC1=CC=CC=C1 6020AE [1,0,0,0,0,1|2,0,0]=4 73 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 9674AB [0,0,0,0,0,2|1,0,0]=3 74 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 0974AD [0,0,0,0,0,2|1,0,1]=4