0 B12R2.612 CC1=NNC2=C1C=CC(Br)=C2 Y4619 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.612 CN1N=CC2=C1C=CC(Cl)=C2 Y5772 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.612 FC1=CC2=C(C=C1)C(Br)=CN2 1860AA [0,0,0,0,0,0|3,1,0]=4 3 B11R2.1 CC1=NOC2=C1C=CC=N2 8579AB [1,0,0,0,0,0|2,0,0]=3 4 B11R2.1 IC1=CNC2=C1C=CC=C2 2307AJ [1,0,0,0,0,0|3,0,0]=4 5 B11R2.1 NC1=CNC2=C1C=CC=C2 8737AE [1,0,0,0,0,0|3,0,0]=4 6 B11R2.1 NC1=NNC2=C1C=CN=C2 Z5104 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.1 OC1=CSC2=CC=CC=C12 Z5532 [1,0,0,0,0,0|1,1,0]=3 8 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 V1332 [1,0,0,0,0,0|2,0,1]=4 9 B11R2.36 BrC1=CC2=C(C=C1)C=NS2 3952AC [1,0,0,0,0,0|0,2,0]=3 10 B11R2.36 NC1=CC2=C(C=C1)OCO2 2287AB [1,0,0,0,0,0|3,0,0]=4 11 B11R2.36 OC1=CC=C2N=NSC2=C1 Y4044 [1,0,0,0,0,0|2,1,0]=4 12 B11R2.36 OC1=CC=C2SN=NC2=C1 Y4045 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.662 CC1=CC2=C(C=C1)C(C#N)=NN2 X3754 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.2130 COC1=CC=C2C(=C1)ON=C2Cl 2241AJ [0,1,0,0,0,0|2,0,0]=3 15 B13R2.11634 CC1=CNC2=C1C=C(F)C(Cl)=C2 5971AH [0,1,0,0,0,0|3,0,0]=4 16 B13R2.11642 CC1=NOC2=NC(Cl)=NC(Cl)=C12 4764AA [0,1,0,0,0,0|3,0,0]=4 17 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 6779AB [0,0,1,0,0,0|1,0,2]=4 18 B11R1.22 O\N=C(/Cl)C1=CC=C(F)C=C1 9588AJ [0,0,1,0,0,0|1,1,0]=3 19 B11R1.24 OCCOC1=CC(O)=CC=C1 7909AF [0,0,1,0,0,0|2,0,1]=4 20 B11R1.24 S=C=NCC1=CC(Cl)=CC=C1 1782AE [0,0,1,0,0,0|1,1,1]=4 21 B11R1.166 CC1=CC(Cl)=C(C(=N)N)C=C1 1656AJ [0,0,1,0,0,0|3,0,0]=4 22 B11R1.166 CC1=CC=C(B(O)O)C(O)=C1 2171AB [0,0,1,0,0,0|3,0,0]=4 23 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 Q197 [0,0,1,0,0,0|2,0,0]=3 24 B11R1.166 N=C(N)C1=C(F)C=C(Cl)C=C1 2757AJ [0,0,1,0,0,0|2,0,0]=3 25 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 5297AL [0,0,1,0,0,0|3,0,0]=4 26 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 7684AH [0,0,1,0,0,0|2,0,0]=3 27 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 Q822 [0,0,1,0,0,0|2,0,1]=4 28 B11R1.166 OB(O)C1=CC=C(Br)C=C1O Z1485 [0,0,1,0,0,0|2,1,0]=4 29 B13R2.3683 CC1=CC=C2C=C(Cl)N=CC2=C1 Z6616 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.3683 O=C1COC2=CC(F)=CC=C2C1 6197AC [0,0,0,0,0,1|1,1,1]=4 31 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 2476AC [0,0,0,0,0,1|1,1,1]=4 32 B13R2.5179 CC1=C2C=CC(Br)=CC2=CN=C1 Y4855 [0,0,0,0,0,1|2,1,0]=4 33 B13R2.5179 NC1=CC2=C(C=C1)C(=O)N=CN2 4956AC [0,0,0,0,0,1|2,0,1]=4 34 B13R2.5179 NC1=CC=NC2=C1C=CC(Cl)=C2 2372AA [0,0,0,0,0,1|3,0,0]=4 35 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 0105AB [1,0,1,0,0,0|1,0,0]=3 36 B10R1.13 N=C(N)C1=CC=C(F)C=C1 Y5354 [1,0,1,0,0,0|1,1,0]=4 37 B10R1.13 NC1=CC=C(B(O)O)C=C1 9495AJ [1,0,1,0,0,0|2,0,0]=4 38 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [1,0,1,0,0,0|1,0,1]=4 39 B10R1.25 O=CC1=CN=C(Cl)C=C1O 3514AJ [1,0,1,0,0,0|1,0,1]=4 40 B10R1.61 O=C([O-])C1=CC=CC=C1O M628 [1,0,1,0,0,0|1,0,1]=4 41 B10R1.61 O=C([O-])C1=CC=CC=C1O W0024 [1,0,1,0,0,0|1,0,1]=4 42 B10R2.7 C1=CC2=CNC=C2C=C1 0763AP [2,0,0,0,0,0|1,0,1]=4 43 B10R2.7 C1=CN=C2OC=CC2=C1 Y8520 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 Y9382 [0,1,1,0,0,0|2,0,0]=4 45 B12R1.16 O=C(\C=N\O)C1=CC=C(Cl)C=C1 9216AJ [0,1,1,0,0,0|0,0,1]=3 46 B12R1.1703 O=C(NO)C1=CC=C(Cl)C=C1O 6760AE [0,1,1,0,0,0|0,0,2]=4 47 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(Cl)C=C1 7028AB [0,1,1,0,0,0|2,0,0]=4 48 B12R2.1 OCC1=CNC2=CC=CC=C12 2717AD [1,1,0,0,0,0|2,0,0]=4 49 B12R2.1 OCC1=CSC2=CC=CC=C12 Y9385 [1,1,0,0,0,0|1,1,0]=4 50 B12R2.18 BrC1=C(Br)C2=CC=CC=C2O1 Z2437 [1,1,0,0,0,0|2,0,0]=4 51 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O 6525AJ [1,1,0,0,0,0|1,0,1]=4 52 B12R2.132 BrC1=CC2=C(C=C1)NN=C2Br W6113 [1,1,0,0,0,0|2,0,0]=4 53 B12R2.196 NC1=C2OC=C(Cl)C2=CC=C1 Y8928 [1,1,0,0,0,0|2,0,0]=4 54 B12R2.44 NNC1=CC=C2C=NNC2=C1 3553AJ [1,1,0,0,0,0|2,0,0]=4 55 B12R2.82 FC1=C(Cl)C2=C(C=C1)C=NN2 Z1594 [1,1,0,0,0,0|1,1,0]=4 56 B12R2.246 ClC1=CC(Br)=C2C=NOC2=C1 2715AJ [1,1,0,0,0,0|0,0,0]=2 57 B12R2.246 FC1=CC(Cl)=CC2=C1C=NN2 Y4526 [1,1,0,0,0,0|1,0,0]=3 58 B14R2.29365 ClC1=CC=C2C(=C1)C=C(Cl)N=C2Cl 8206AC [0,1,0,0,0,1|2,0,0]=4 59 B12R2.1081 ClC1=CC=CC2=C1N=CN=C2 1743AC [0,0,1,1,0,0|2,0,0]=4 60 B12R1.233 O=C(O)CC1=CC=C(O)C=C1O W1999 [0,0,1,0,0,1|2,0,0]=4