0 B12R2.44 C#CC1=CC2=C(C=C1)CCC2 C12642 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.44 O=CC1=CC2=C(C=C1)CCO2 94696 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.44 O=CC1=CC2=C(C=C1)NCC2 F16225 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 AC3295 [0,0,0,0,0,0|1,0,1]=2 4 B12R2.44 O=CC1=CN=C2OC=CC2=C1 98457 [0,0,0,0,0,0|2,0,1]=3 5 B11R2.36 BrC1=CN=C2OCOC2=C1 E10108 [1,0,0,0,0,0|2,0,0]=3 6 B11R2.36 NC1=CC=C2CCOC2=N1 AT22072 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.36 NC1=CC=C2OCOC2=N1 P19024 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 C10566 [0,1,0,0,0,0|1,0,1]=3 9 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 F53588 [0,1,0,0,0,0|1,0,1]=3 10 B13R2.430 OB(O)C1=CN=C2OCOC2=C1 P19196 [0,1,0,0,0,0|2,0,1]=4 11 B13R2.599 COC1=CC2=C(C=C1N)OCO2 AC9649 [0,1,0,0,0,0|2,0,0]=3 12 B13R2.2130 O=CC1=CC2=C(C=C1)C(Cl)=NN2 78711 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.189 CCOC1=CC=CC(C=O)=N1 D79228 [0,0,1,0,0,0|2,0,0]=3 14 B11R1.189 NCC1=CC=CC(CCO)=C1 O10460 [0,0,1,0,0,0|2,0,1]=4 15 B11R2.191 O=CC1=CC=C2CCCN12 Y14714 [0,0,0,0,1,0|3,0,0]=4 16 B13R2.57 O=CC1=CC2=C(C=C1)CCCO2 94699 [0,0,0,0,0,1|1,0,0]=2 17 B13R2.57 O=CC1=CC2=C(C=C1)CNCC2 72318 [0,0,0,0,0,1|2,0,0]=3 18 B13R2.57 O=CC1=NN=C2OCCOC2=C1 AT15328 [0,0,0,0,0,1|2,0,0]=3 19 B13R2.57 OCC1=CC=C2OCCOC2=N1 C75889 [0,0,0,0,0,1|1,0,2]=4 20 B10R1.3 COC1=CN=C(C=O)N=C1 P10965 [1,0,1,0,0,0|2,0,0]=4 21 B10R1.3 COC1=NN=C(C=O)C=C1 P20548 [1,0,1,0,0,0|2,0,0]=4 22 B10R1.3 O=CC1=NC=C(CO)C=N1 AC2016 [1,0,1,0,0,0|2,0,0]=4 23 B10R1.176 CC1=C(Cl)C=CC(C=O)=N1 D88030 [1,0,1,0,0,0|2,0,0]=4 24 B10R1.176 CN1C=CC(C=O)=CC1=O P13362 [1,0,1,0,0,0|1,0,1]=4 25 B12R1.279 CCCC1=CC=CC(C(=O)O)=C1 A10610 [0,1,1,0,0,0|2,0,0]=4 26 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13735 [0,1,1,0,0,0|1,0,1]=4 27 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13736 [0,1,1,0,0,0|1,0,1]=4 28 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y14318 [0,1,1,0,0,0|1,0,1]=4 29 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13240 [1,1,0,0,0,0|2,0,0]=4 30 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13296 [1,1,0,0,0,0|2,0,0]=4 31 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y10762 [1,1,0,0,0,0|2,0,0]=4 32 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y14815 [1,1,0,0,0,0|2,0,0]=4 33 B12R2.132 O=C1COC2=C1C=C(F)C=C2 Y13790 [1,1,0,0,0,0|2,0,0]=4 34 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Y14103 [1,1,0,0,0,0|1,0,1]=4 35 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 Y11203 [1,1,0,0,0,0|1,0,1]=4 36 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 N11241 [1,1,0,0,0,0|2,0,0]=4 37 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 N11265 [1,1,0,0,0,0|2,0,0]=4 38 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 Y13417 [1,1,0,0,0,0|2,0,0]=4 39 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14817 [1,1,0,0,0,0|2,0,0]=4 40 B14R2.781 CC(=O)C1=CC2=C(C=C1)CCNC2 F10170 [0,1,0,0,0,1|2,0,0]=4 41 B14R2.781 O=C(O)C1=NC2=C(C=C1)OCCO2 C14166 [0,1,0,0,0,1|1,0,0]=3 42 B14R2.966 COC(=O)C1=CC2=C(C=C1)CCO2 D72144 [0,2,0,0,0,0|1,0,0]=3 43 B14R2.5719 N[C@H]1CCC2=C1C=CC(C(=O)O)=C2 Y14787 [0,2,0,0,0,0|2,0,0]=4 44 B14R2.24358 O=C(O)C1=CC2=C(C=C1)OC=C2Cl W19251 [0,2,0,0,0,0|1,0,1]=4 45 B12R2.24 ClC1=CC2=C(C=C1)CCOC2 Y14506 [1,0,0,0,0,1|2,0,0]=4