0 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 ACI-05058 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 ACI-04703 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 ACI-02273 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 ACI-01697 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 ACI-01700 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.20 N=C(N)CC1=CC=C(F)C=C1 ACI-01698 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 RH-08K-004 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.20 NC(=S)CC1=CC=C(Br)C=C1 ACI-NI-00199 [1,0,0,0,0,0|2,1,0]=4 8 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 ACI-05800 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.83 CNCC1=CC=C(OC)C=C1 WS-05I-015 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.83 COC1=CC=C(\C=N\O)C=C1 ACI-01782 [1,0,0,0,0,0|1,0,2]=4 11 B13R1.35 COC1=NN=C(NC(C)=O)C=C1Cl JM-12G-002 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.36 COC1=CC=C(C(=O)C(C)Br)C=C1 ACI-04033 [0,1,0,0,0,0|1,0,2]=4 13 B13R1.585 N=C(N)C1=CC=C(CC(=O)O)C=C1 ACI-02276 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.653 CC(=O)OC1=CC=C(C=O)C=C1Br SB-14A-002 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.653 COC1=CC=C(NC(C)=O)C(N)=C1 JM-03A-001 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.3 COC1=CC=C(C(=N)N)C=C1 ACI-NI-00262 [0,0,0,0,1,0|2,0,0]=3 17 B11R1.3 COC1=CC=C(C(N)=S)C=C1 ACI-NI-00263 [0,0,0,0,1,0|1,1,0]=3 18 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ACI-05253 [0,0,0,0,1,0|3,0,0]=4 19 B13R1.3 COC1=CC=C(OCC(=N)N)C=C1 ACI-05121 [0,0,0,0,0,1|2,0,0]=3 20 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [2,0,0,0,0,0|1,1,0]=4 21 B10R1.3 O=CC1=CC=C(CBr)C=C1 ACI-02372 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.49 O=C(CBr)NC1=CC=C(Cl)C=C1 WS-04E-003 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.233 CC(=O)CC1=C(C)C=C(Cl)C=C1 ACI-05056 [1,1,0,0,0,0|1,0,0]=3 24 B12R1.233 O=C(Cl)CC1=C(F)C=C(F)C=C1 ACI-05792 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1Cl ACI-05796 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.71 C=CCNC1=CC=C(OC)C=C1 ACI-02168 [1,1,0,0,0,0|0,0,1]=3 27 B12R1.71 COC1=CC=C(OCC#N)C=C1 ACI-05119 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.48 COC1=CC=C(C(=O)Cl)C=C1Br ACI-01757 [0,1,0,0,1,0|1,0,0]=3 29 B12R1.48 COC1=CC=C(C(N)=O)C=C1Br ACI-05402 [0,1,0,0,1,0|1,0,0]=3 30 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 ACI-02307 [0,1,0,0,1,0|2,0,0]=4 31 B12R1.256 CC(C)C1=CC=C(C(=O)Cl)C=C1 ACI-02450 [0,1,0,0,1,0|2,0,0]=4 32 B12R1.256 CC(C)C1=CC=C(C(N)=O)C=C1 ACI-05431 [0,1,0,0,1,0|2,0,0]=4 33 B12R1.452 CSC1=CC=C(C(C)=O)C(Cl)=C1 ACI-01609 [0,1,0,0,1,0|0,1,0]=3 34 B14R1.5 COC1=CC=C(OC\C(N)=N\O)C=C1 ACI-05120 [0,1,0,0,0,1|1,0,1]=4 35 B14R1.5801 CC(=O)NC1=CC=C(C(C)=O)C(O)=C1 RH-08G-001 [0,2,0,0,0,0|2,0,0]=4 36 B14R1.806 CC(=O)NC1=CC=C(C(C)(C)C)C=C1 WS-05I-001 [0,2,0,0,0,0|2,0,0]=4 37 B12R2.44 COC1=CC2=C(C=C1)OC=C2 ACI-05786 [1,0,0,1,0,0|1,0,1]=4 38 B14R2.3304 COC1=CC2=C(C=C1)C=C(C=O)S2 ACI-02149 [0,1,0,1,0,0|1,0,1]=4 39 B14R2.3304 COC1=CC2=C(C=C1)C=C(CO)S2 ACI-02150 [0,1,0,1,0,0|0,1,1]=4 40 B14R2.3304 COC1=CC=C2C=C(CBr)SC2=C1 ACI-02508 [0,1,0,1,0,0|0,1,1]=4 41 B14R2.1197 COC1=CC2=C(C=C1N)SC(C)=N2 ACI-02536 [0,1,0,1,0,0|2,0,0]=4 42 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [1,0,0,0,1,0|2,0,0]=4 43 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [1,0,0,0,1,0|2,0,0]=4 44 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [1,0,0,0,1,0|2,0,0]=4 45 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [1,0,0,0,1,0|2,0,0]=4 46 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [1,0,0,0,1,0|2,0,0]=4 47 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 FD-09B-003 [1,0,0,0,0,1|1,0,0]=3 48 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 ACI-01232 [1,0,0,0,0,1|1,0,1]=4 49 B12R1.21 CC1=CC=C(OCC(=N)N)C=C1 ACI-05110 [1,0,0,0,0,1|2,0,0]=4 50 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 ACI-05910 [1,0,0,0,0,1|1,0,1]=4 51 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 ACI-01699 [0,0,0,0,1,1|2,0,0]=4 52 B12R1.438 COC1=CC=CC(CC(N)=S)=C1 ACI-00137 [0,0,0,0,1,1|1,1,0]=4 53 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 JM-08G-001 [0,0,0,0,1,1|1,0,0]=3