0 B12R2.612 CC1=CC2=C(C=C1)B(O)OC2 D73935 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.612 C[C@@H]1NCC2=C1C=CC(Br)=C2 C90683 [0,0,0,0,0,0|3,1,0]=4 2 B12R2.612 C[C@@H]1NCC2=C1C=CC(Br)=C2 F13796 [0,0,0,0,0,0|3,1,0]=4 3 B12R2.612 NC1=CN=C2C(=O)OCC2=C1 AT26563 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11243 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N13249 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CO2 AT23843 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E73009 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 NC1=C2C=CC=CC2=NO1 AC2203 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 OB1OCC2=C1C=NC=C2 AT12854 [1,0,0,0,0,0|1,0,0]=2 10 B11R2.36 BrC1=CN=C2COCC2=C1 AT20344 [1,0,0,0,0,0|2,1,0]=4 11 B11R2.36 OC1=CC2=C(COC2)N=C1 AT20345 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.662 OCC1=NOC2=C1C=CC(F)=C2 93326 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.662 OC[C@@H]1NCC2=C1C=CC(Br)=C2 Y14447 [0,1,0,0,0,0|2,1,0]=4 14 B13R2.662 OC[C@@H]1NCC2=C1C=CC(Br)=C2 Y14471 [0,1,0,0,0,0|2,1,0]=4 15 B13R2.662 OC[C@@H]1NCC2=C1C=CC(Br)=C2 Y14482 [0,1,0,0,0,0|2,1,0]=4 16 B13R2.2130 NCC1=CC2=C(C=C1)B(O)OC2 D75430 [0,1,0,0,0,0|1,0,0]=2 17 B13R2.2130 OCC1=CC2=C(C=C1)B(O)OC2 D74056 [0,1,0,0,0,0|1,0,0]=2 18 B13R2.3108 CC1(C)OCC2=C1C=CC(N)=C2 D76399 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.5180 CC1=C(Br)C=CC2=C1CC[C@@H]2O AT24715 [0,1,0,0,0,0|2,1,0]=4 20 B13R2.5180 O[C@H]1CCC2=C1C=CC(Cl)=C2Br AT26144 [0,1,0,0,0,0|2,1,0]=4 21 B13R2.11634 O=C1NCC2=CC(F)=C(Br)C=C12 D72269 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.37 NCC1=C(CO)C=C(Cl)C=C1 P16919 [0,0,1,0,0,0|2,1,0]=4 23 B11R1.37 OCC1=CN=C(Cl)C=C1CO AT14345 [0,0,1,0,0,0|2,1,0]=4 24 B11R1.166 CC1=C(B(O)O)C=NC(N)=C1 AT19815 [0,0,1,0,0,0|2,0,0]=3 25 B11R1.166 CC1=CC(C)=C(B(O)O)C=N1 C90593 [0,0,1,0,0,0|2,0,0]=3 26 B11R1.166 CC1=CC(F)=C(B(O)O)N=C1 AT15858 [0,0,1,0,0,0|3,0,0]=4 27 B11R1.166 CC1=CC(F)=CN=C1B(O)O AT15857 [0,0,1,0,0,0|1,0,0]=2 28 B11R1.166 CC1=CC(N)=C(B(O)O)C=N1 FD10194 [0,0,1,0,0,0|3,0,0]=4 29 B11R1.166 CC1=CC=C(B(O)O)C(O)=N1 AC3645 [0,0,1,0,0,0|3,0,0]=4 30 B13R2.5179 C=C1COCC2=C1C=CC(Br)=C2 AT16087 [0,0,0,0,0,1|2,1,0]=4 31 B13R2.5179 N[C@H]1COCC2=C1C=CC(Br)=C2 AC9593 [0,0,0,0,0,1|2,1,0]=4 32 B13R2.5179 O=C1CCSC2=C1C=CC(F)=C2 74748 [0,0,0,0,0,1|2,0,1]=4 33 B13R2.5179 O=C1COCC2=C1C=CC(Cl)=C2 AT26633 [0,0,0,0,0,1|1,1,1]=4 34 B13R2.5179 OB1OCCC2=C1C=CC(F)=C2 E72977 [0,0,0,0,0,1|0,0,0]=1 35 B13R2.5179 O[C@H]1CNCC2=C1C=CC(Br)=C2 AT26206 [0,0,0,0,0,1|2,1,0]=4 36 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [1,0,1,0,0,0|2,0,0]=4 38 B10R1.20 C=CC1=C(CO)C=CC=C1 S11028 [1,0,1,0,0,0|2,0,0]=4 39 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [1,0,1,0,0,0|2,0,0]=4 40 B10R1.30 OCC1=C(Br)C=CC(F)=N1 C77408 [1,0,1,0,0,0|2,0,0]=4 41 B10R1.61 OB(O)C1=C(F)C=CC=N1 C14125 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.46 COC1=C([C@H](C)O)C=C(F)C=C1 F52411 [0,1,1,0,0,0|2,0,0]=4 43 B12R1.232 CC1=CC(F)=C(I)C=C1C(=O)O AT25998 [0,1,1,0,0,0|1,0,1]=4 44 B12R1.232 OB(O)C1=CC(Br)=C(F)C=C1F D71839 [0,1,1,0,0,0|1,0,0]=3 45 B12R1.452 CC1=C(B(O)O)C=CC(C#N)=N1 AT23865 [0,1,1,0,0,0|2,0,0]=4 46 B12R1.452 CCC1=CC(F)=C(B(O)O)C=C1 AT23663 [0,1,1,0,0,0|2,0,0]=4 47 B12R1.893 CC1=C(C(=O)O)C=CC(F)=C1Br AT21197 [0,1,1,0,0,0|1,0,1]=4 48 B12R1.893 OB(O)C1=CC=C(F)C(F)=C1Cl D86546 [0,1,1,0,0,0|1,0,0]=3 49 B12R1.1000 CC1=CC(Br)=CC(Cl)=C1B(O)O D71763 [0,1,1,0,0,0|0,1,0]=3 50 B12R1.1000 CC1=CC(Cl)=CC(O)=C1B(O)O 96457 [0,1,1,0,0,0|0,1,0]=3 51 B12R1.1000 OB(O)C1=C(Br)C=C(Cl)C=C1Cl D77044 [0,1,1,0,0,0|1,1,0]=4 52 B12R1.1000 OB(O)C1=C(Cl)C=C(Cl)C=C1O 96458 [0,1,1,0,0,0|1,1,0]=4 53 B12R2.18 N[C@H]1CC2=C(C=CC=C2)[C@H]1O C74202 [1,1,0,0,0,0|2,0,0]=4 54 B12R2.132 CC1=CC2=C(C=C1)COB2O D75435 [1,1,0,0,0,0|0,0,0]=2 55 B12R2.132 OB1OCC2=C1C=C(S)C=C2 D74054 [1,1,0,0,0,0|0,0,0]=2 56 B12R2.196 CC1=CC=CC2=C1COB2O D73937 [1,1,0,0,0,0|0,0,0]=2 57 B12R2.203 CC1=CC=CC2=C1B(O)OC2 D73936 [1,1,0,0,0,0|0,0,0]=2 58 B12R2.203 OB1OCC2=CC=CC(F)=C12 D75434 [1,1,0,0,0,0|0,0,0]=2 59 B14R2.1948 COC1=C2C(=O)OCC2=CC(F)=C1 AT22693 [0,2,0,0,0,0|1,0,1]=4