0 B10R1.3 C#CC1=CC=C(CO)C=C1 ACI-05708 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.3 N#CC1=CC=C(C=O)N=C1 ACI-04981 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.3 O=CC1=CC=C(CBr)C=C1 ACI-02372 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.3 OCC1=CC=C(CCl)C=C1 ACI-03865 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [1,0,0,0,0,0|1,1,1]=4 8 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.1 O=CC1=CC=C(Br)C=N1 ACI-04980 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.1 O=CC1=CC=C(Cl)N=N1 ACI-02604 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.3 COC1=CC=C(C(=N)N)C=C1 ACI-NI-00262 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.3 COC1=CC=C(C(N)=S)C=C1 ACI-NI-00263 [0,1,0,0,0,0|0,1,0]=2 13 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ACI-05253 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.83 CNCC1=CC=C(OC)C=C1 WS-05I-015 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.83 COC1=CC=C(\C=N\O)C=C1 ACI-01782 [0,1,0,0,0,0|0,0,1]=2 16 B11R1.279 COC1=CC=C(NN)C(C)=C1 ACI-04726 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.279 COC1=CC=C(OC)C(Cl)=C1 ACI-04697 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.21 N#CC1=CC=C(C=O)S1 ACI-04985 [0,0,0,0,1,0|3,0,0]=4 19 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [2,0,0,0,0,0|2,0,0]=4 20 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 FD-09D-001 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.13 CC1=CC=C(C(=N)N)C=N1 ACI-02505 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.13 CC1=CN=C(C(=N)N)C=C1 RH-08K-006 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 ACI-01779 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 ACI-NI-00221 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ACI-01689 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.13 N=C(N)C1=CC=C(F)C=C1 ACI-NI-00230 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ACI-05362 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.13 NC(=O)C1=CC=C(F)N=C1 ACI-05369 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 ACI-05390 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.13 NC(=O)C1=NC=C(F)C=C1 ACI-05447 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [1,1,0,0,0,0|1,1,0]=4 38 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [1,1,0,0,0,0|1,1,0]=4 39 B10R1.13 NC(=S)C1=CN=C(O)C=C1 SB-16B-002 [1,1,0,0,0,0|1,1,0]=4 40 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 ACI-00319 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 ACI-00437 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.13 O=C(O)C1=CC=C(O)N=N1 JL-11I-004 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.25 COC1=CC=C(Br)N=C1Br ACI-03880 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.25 COC1=CC=C(N)N=C1Br ACI-01397 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.176 CC1=C(I)C=C(CO)C=C1 ACI-05610 [1,1,0,0,0,0|0,0,2]=4 51 B10R1.176 CC1=CC=C(CBr)C=C1I ACI-05617 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.176 O=CC1=CC(Br)=C(Cl)N=C1 ACI-00868 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.31 CC(=O)C1=CNC(C=O)=C1 ACI-01337 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.31 CCC1=CC(C(=O)O)=CS1 JL-14K-001 [0,1,0,0,1,0|2,0,0]=4 55 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 SB-05K-003 [0,2,0,0,0,0|0,0,0]=2 56 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 ACI-05864 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.5 COC1=CC=C(\C(Cl)=N\O)C=C1 SB-03D-050 [0,2,0,0,0,0|0,0,1]=3 58 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 ACI-NI-00261 [0,2,0,0,0,0|0,0,1]=3 59 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 ACI-00325 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.6 COC1=NC=C(S(=O)(=O)Cl)C=C1 ACI-NI-00758 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.6 COC1=NC=C(S(N)(=O)=O)C=C1 ACI-04572 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=N1 RH-10H-002 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.48 COC1=CC=C(C(=O)Cl)C=C1Br ACI-01757 [0,2,0,0,0,0|0,0,0]=2 64 B12R1.48 COC1=CC=C(C(N)=O)C=C1Br ACI-05402 [0,2,0,0,0,0|0,0,0]=2 65 B12R1.48 COC1=CC=C([N+](=O)[O-])N=C1Br ACI-01448 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.113 NC(=O)C1=CC=C(CCCl)C=C1 ACI-04715 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 ACI-02307 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.256 CC(C)C1=CC=C(C(=O)Cl)C=C1 ACI-02450 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.256 CC(C)C1=CC=C(C(N)=O)C=C1 ACI-05431 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.452 CSC1=CC=C(C(C)=O)C(Cl)=C1 ACI-01609 [0,2,0,0,0,0|0,1,0]=3 71 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 ACI-05058 [0,2,0,0,0,0|0,0,0]=2 72 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 ACI-04703 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 ACI-02273 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.71 C=CCNC1=CC=C(OC)C=C1 ACI-02168 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.71 COC1=CC=C(OCC#N)C=C1 ACI-05119 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.301 COC1=CC(Cl)=C(C=O)C(Cl)=C1 ACI-04729 [0,2,0,0,0,0|0,0,0]=2 77 B12R1.450 COC1=CC(O)=C(OC)C=C1Cl ACI-04696 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.653 COC1=C(Cl)C(F)=C(C=O)C=C1 ACI-05534 [0,2,0,0,0,0|0,0,0]=2 79 B12R1.653 COC1=C(F)C(F)=C(C=O)C=C1 ACI-05527 [0,2,0,0,0,0|0,0,0]=2 80 B10R1.2 COC1=CC=CC(N)=C1N WS-05L-004 [0,0,1,1,0,0|2,0,0]=4 81 B12R2.44 COC1=CC2=C(C=C1)OC=C2 ACI-05786 [0,1,0,1,0,0|1,0,0]=3 82 B12R2.44 NNC1=CC2=C(C=C1)OCO2 ACI-04727 [0,1,0,1,0,0|2,0,0]=4 83 B12R2.44 O=CC1=CC2=NON=C2C=C1 RH-08H-002 [0,1,0,1,0,0|1,0,0]=3 84 B12R2.44 O=CC1=CC=C2OC=CC2=C1 ACI-05337 [0,1,0,1,0,0|0,0,1]=3 85 B12R2.44 O=CC1=CC=C2OCCC2=C1 ACI-01523 [0,1,0,1,0,0|0,0,0]=2 86 B12R2.44 O=CC1=CC=C2SC=CC2=C1 JM-04I-002 [0,1,0,1,0,0|0,1,1]=4 87 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [1,0,0,0,1,0|2,0,0]=4 88 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [1,0,0,0,1,0|2,0,0]=4 89 B8R1.1 CC1=NOC(C=O)=C1 RH-06C-002 [1,0,0,0,1,0|2,0,0]=4 90 B8R1.1 CC1=NSC(C=O)=C1 ACI-NI-00725 [1,0,0,0,1,0|2,0,0]=4 91 B8R1.1 CN1C=C(C=O)C=N1 ACI-01990 [1,0,0,0,1,0|2,0,0]=4 92 B8R1.1 CN1C=NC(C=O)=C1 JM-06D-001 [1,0,0,0,1,0|2,0,0]=4 93 B8R1.1 O=CC1=CC(I)=CS1 ACI-02692 [1,0,0,0,1,0|2,0,0]=4 94 B10R1.172 C=CC1=NC=CC(OC)=C1 ACI-05094 [0,0,0,0,1,1|1,0,0]=3 95 B10R1.172 COC1=CC=NC(C#N)=C1 ACI-00467 [0,0,0,0,1,1|1,0,1]=4 96 B10R1.172 O=CC1=CC=CC(CBr)=C1 ACI-03882 [0,0,0,0,1,1|2,0,0]=4