0 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 ACI-05159 [0,0,0,0,0,0|2,0,0]=2 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|3,0,1]=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|3,0,1]=4 7 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 ACI-01779 [0,0,0,0,0,0|4,0,0]=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|3,0,1]=4 12 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.3 CN(C)C1=CC=[N+](C#N)C=C1 JM-08L-004 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.3 COC1=CC=C(C(=N)N)C=C1 ACI-NI-00262 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.3 COC1=CC=C(C(N)=S)C=C1 ACI-NI-00263 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ACI-05253 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.19 CC(C)(C)C1=CC=[N+]([O-])C=C1 FD-10E-010 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.21 CC1=C(C)C=C(C(=N)N)C=C1 ACI-03942 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.21 CC1=C(C)C=C(C(N)=O)C=C1 ACI-03953 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.21 CC1=CC=C(C(N)=S)C=C1F WS-04A-009 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ACI-01120 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 ACI-00490 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.166 CC1=C(N(C)C)C=CC(Br)=C1 ACI-06402 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.166 CC1=CC=C(C(=O)Cl)C(Br)=C1 ACI-01767 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.166 CC1=CC=C(C(N)=O)C(Br)=C1 ACI-05403 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 ACI-01697 [0,0,0,0,0,1|2,0,1]=4 41 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.3 C#CC1=CC=C(CO)C=C1 ACI-05708 [1,1,0,0,0,0|0,0,2]=4 45 B10R1.3 O=CC1=CC=C(CBr)C=C1 ACI-02372 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.3 OCC1=CC=C(CCl)C=C1 ACI-03865 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.176 CC1=C(I)C=C(CO)C=C1 ACI-05610 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.176 CC1=CC=C(CBr)C=C1I ACI-05617 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.176 ClC1=CC=C(CBr)C=C1I ACI-05618 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.176 OCC1=CC(I)=C(Cl)C=C1 ACI-05611 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.31 CC(C)C1=NC(CCl)=CS1 ACI-01279 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.31 CC(C)C1=NOC(CBr)=C1 ACI-NI-00770 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.31 CC(C)C1=NOC(CCl)=C1 ACI-NI-00771 [0,1,0,0,1,0|2,0,0]=4 57 B10R1.31 CC(C)C1=NOC(CO)=C1 RH-11L-001 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.58 CC(C)C1=NN(C)C(Cl)=C1 ACI-04720 [0,1,0,0,1,0|2,0,0]=4 59 B10R1.58 CC(C)C1=NN(C)C(O)=C1 ACI-04718 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 ACI-05058 [0,1,0,0,0,1|1,0,1]=4 61 B12R1.20 CC(Br)C(=O)C1=CC=C(Br)C=C1 ACI-04028 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.20 CC(Br)C(=O)C1=CC=C(Cl)C=C1 ACI-04024 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.20 CC(Br)C(=O)C1=CC=C(F)C=C1 ACI-04023 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 ACI-05864 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.6 CC(C)(C)C1=CC=C(C#N)C=N1 ACI-00861 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.256 CC(C)C1=CC=C(C(=O)Cl)C=C1 ACI-02450 [0,2,0,0,0,0|0,0,1]=3 67 B12R1.256 CC(C)C1=CC=C(C(N)=O)C=C1 ACI-05431 [0,2,0,0,0,0|0,0,1]=3 68 B12R1.452 CSC1=CC=C(C(C)=O)C(Cl)=C1 ACI-01609 [0,2,0,0,0,0|1,0,1]=4 69 B12R1.23 CC(C)(C)C1=CC(Cl)=C(N)C=C1 WS-05I-055 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O ACI-05673 [0,2,0,0,0,0|1,0,1]=4 71 B12R2.291 NC1=CC=C(C2CC2)C=C1F ACI-06430 [0,1,0,1,0,0|1,0,0]=3 72 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 JM-09H-001 [0,1,0,1,0,0|2,0,0]=4