0 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 ACI-05159 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 CC1=CC=C(C(=N)N)C=N1 ACI-02505 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.13 CC1=CN=C(C(=N)N)C=C1 RH-08K-006 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 ACI-01779 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 ACI-NI-00221 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ACI-01689 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 N=C(N)C1=CC=C(F)C=C1 ACI-NI-00230 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [0,0,0,0,0,0|2,1,1]=4 13 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [0,0,0,0,0,0|2,1,1]=4 14 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [1,0,0,0,0,0|1,1,0]=3 24 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.3 COC1=CC=C(C(=N)N)C=C1 ACI-NI-00262 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.3 COC1=CC=C(C(N)=S)C=C1 ACI-NI-00263 [0,1,0,0,0,0|1,1,1]=4 30 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ACI-05253 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.19 CC(C)(C)C1=CC=[N+]([O-])C=C1 FD-10E-010 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.21 CC1=C(C)C=C(C(=N)N)C=C1 ACI-03942 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.21 CC1=C(C)C=C(C(N)=O)C=C1 ACI-03953 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.21 CC1=CC=C(C(N)=S)C=C1F WS-04A-009 [0,1,0,0,0,0|1,1,1]=4 36 B11R1.21 O=C(O)C1=CC=C(O)C(I)=C1 ACI-02694 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.22 CC1=CC=C(\C(N)=N\O)C=N1 ACI-02491 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.22 CC1=CN=C(\C(N)=N\O)C=C1 JM-08K-004 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ACI-01120 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 ACI-NI-00220 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 ACI-01635 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 ACI-NI-00229 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 ACI-00490 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 ACI-NI-00061 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.166 CC1=C(N(C)C)C=CC(Br)=C1 ACI-06402 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.166 CC1=CC=C(C(=O)Cl)C(Br)=C1 ACI-01767 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.166 CC1=CC=C(C(N)=O)C(Br)=C1 ACI-05403 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 ACI-01697 [0,0,0,0,0,1|2,0,1]=4 50 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 FD-09D-001 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.3 C#CC1=CC=C(CO)C=C1 ACI-05708 [1,1,0,0,0,0|0,0,1]=3 55 B10R1.3 N#CC1=CC=C(CO)N=C1 ACI-04982 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.3 O=CC1=CC=C(CBr)C=C1 ACI-02372 [1,1,0,0,0,0|0,0,2]=4 57 B10R1.3 OCC1=CC=C(CCl)C=C1 ACI-03865 [1,1,0,0,0,0|0,0,0]=2 58 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 ACI-04830 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.25 OCC1=C(F)C=C(F)C=N1 ACI-04827 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.176 CC1=C(I)C=C(CO)C=C1 ACI-05610 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.176 CC1=CC=C(CBr)C=C1I ACI-05617 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.176 ClC1=CC=C(CBr)C=C1I ACI-05618 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.176 OCC1=CC(I)=C(Cl)C=C1 ACI-05611 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 ACI-05058 [0,1,0,0,0,1|0,0,2]=4 71 B12R1.20 CC(Br)C(=O)C1=CC=C(Br)C=C1 ACI-04028 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.20 CC(Br)C(=O)C1=CC=C(Cl)C=C1 ACI-04024 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.20 CC(Br)C(=O)C1=CC=C(F)C=C1 ACI-04023 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 ACI-05864 [0,2,0,0,0,0|0,0,2]=4 75 B12R1.5 COC1=CC=C(\C(Cl)=N\O)C=C1 SB-03D-050 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 ACI-NI-00261 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 ACI-02307 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.256 CC(C)C1=CC=C(C(=O)Cl)C=C1 ACI-02450 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.256 CC(C)C1=CC=C(C(N)=O)C=C1 ACI-05431 [0,2,0,0,0,0|1,0,1]=4 80 B12R1.452 CSC1=CC=C(C(C)=O)C(Cl)=C1 ACI-01609 [0,2,0,0,0,0|0,0,2]=4 81 B12R1.23 CC(C)(C)C1=CC(Cl)=C(N)C=C1 WS-05I-055 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.367 CC1=C(C)C=C(\C(N)=N\O)C=C1 ACI-04056 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.1703 CC1=CC=C(C(=O)NO)C(O)=C1 ACI-05693 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O ACI-05673 [0,2,0,0,0,0|0,0,2]=4 85 B12R2.291 NC1=CC=C(C2CC2)C=C1F ACI-06430 [0,1,0,1,0,0|2,0,0]=4 86 B12R2.612 CC1=CC=C2C(=C1)ON=C2O ACI-05653 [0,1,0,1,0,0|1,0,1]=4 87 B8R1.1 CC1=CC(CO)=NO1 ACI-00368 [1,0,0,0,1,0|2,0,0]=4 88 B8R1.1 CC1=NOC(CO)=C1 RH-08E-002 [1,0,0,0,1,0|2,0,0]=4 89 B8R1.1 CN1C=CC(CO)=N1 RH-06L-001 [1,0,0,0,1,0|2,0,0]=4 90 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 ACI-05910 [0,0,0,0,0,2|1,0,1]=4