0 B12R1.125 CC1=C(CCC(=O)O)C=CN=C1 72786 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.125 O=C(O)CCC1=C(Br)C=CC=N1 F30873 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.91 O=C(O)CNC1=CN=CC=C1 C75069 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 Y13612 [0,1,0,0,0,0|0,0,2]=3 4 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 Y13656 [0,1,0,0,0,0|0,0,2]=3 5 B13R1.202 NC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y12214 [0,1,0,0,0,0|1,0,2]=4 6 B13R1.202 NC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y13935 [0,1,0,0,0,0|1,0,2]=4 7 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)O1 D74564 [0,0,0,1,0,0|1,0,0]=2 8 B13R2.435 O=C(O)C1=CC2=C(N=CC=N2)N1 P20955 [0,0,0,1,0,0|3,0,0]=4 9 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 20909 [0,0,0,1,0,0|1,0,0]=2 10 B13R2.435 O=C(O)C1=NC2=C(C=NC=C2)N1 C77149 [0,0,0,1,0,0|3,0,0]=4 11 B13R2.435 O=C(O)C1=NN2C=CC=CC2=N1 D86312 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 P12344 [0,0,0,1,0,0|3,0,0]=4 13 B13R2.5179 BrC1=CC=C2C(I)=CC=CC2=C1 AT10842 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=C1 53842 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.5179 ClC1=C2C=CC(Br)=NC2=CC=C1 D71280 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.5179 NC1=C2C=CC(Br)=CC2=CC=C1 F53484 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.5179 NC1=C2N=CC(O)=CC2=CC=C1 73653 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.5179 OC1=CC=C2C(Br)=CC=NC2=C1 D87193 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.5179 OC1=CC=C2C(Br)=CN=CC2=C1 K10068 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.5179 OC1=CC=C2C(Cl)=CC=CC2=C1 N14583 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.5179 OC1=CC=C2C(Cl)=CN=CC2=C1 K10075 [0,0,0,1,0,0|3,0,0]=4 22 B11R1.86 NC1=CC=CN=C1CC(=O)O D96389 [0,0,0,0,1,0|2,0,1]=4 23 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 AT11209 [0,0,0,0,1,0|2,0,1]=4 24 B12R1.21 CC(=O)\C=C\C1=NC=C(C)C=C1 79382 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 D75467 [1,1,0,0,0,0|1,0,0]=3 26 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 Y11226 [0,1,0,0,1,0|0,0,1]=3 27 B12R1.224 CC1=CC=CC(CC(=O)O)=C1N 78656 [0,1,0,0,1,0|1,0,1]=4 28 B14R1.118 COC1=C(F)C=CC=C1CCC(=O)O D96339 [0,2,0,0,0,0|0,0,2]=4 29 B14R1.153 N[C@@H](CC1=CC=CC(F)=C1O)C(=O)O Y14210 [0,2,0,0,0,0|0,0,2]=4 30 B14R1.153 N[C@@H](CC1=CC=CC(F)=C1O)C(=O)O Y14231 [0,2,0,0,0,0|0,0,2]=4 31 B14R1.153 N[C@@H](CC1=CC=CC(F)=C1O)C(=O)O Y14250 [0,2,0,0,0,0|0,0,2]=4 32 B14R1.6049 N[C@@H](CC1=C(O)C=C(F)C=C1)C(=O)O Y14208 [0,2,0,0,0,0|0,0,2]=4 33 B14R1.6049 N[C@@H](CC1=C(O)C=C(O)C=C1)C(=O)O Y11694 [0,2,0,0,0,0|0,0,2]=4 34 B14R1.6052 N[C@@H](CC(=O)O)C1=C(O)C=CC(F)=C1 Y11708 [0,2,0,0,0,0|0,0,2]=4 35 B14R1.6052 N[C@@H](CC(=O)O)C1=C(O)C=CC(F)=C1 Y12887 [0,2,0,0,0,0|0,0,2]=4 36 B14R1.6052 N[C@@H](CC(=O)O)C1=C(O)C=CC(F)=C1 Y12915 [0,2,0,0,0,0|0,0,2]=4 37 B14R1.4474 N[C@@H](CC1=C(O)C=CC(F)=C1)C(=O)O Y12872 [0,2,0,0,0,0|0,0,2]=4 38 B14R1.4474 N[C@@H](CC1=C(O)C=CC(F)=C1)C(=O)O Y12904 [0,2,0,0,0,0|0,0,2]=4 39 B14R1.4474 N[C@@H](CC1=C(O)C=CC(F)=C1)C(=O)O Y12926 [0,2,0,0,0,0|0,0,2]=4 40 B14R1.5971 N[C@@H](CC1=C(F)C=CC=C1O)C(=O)O Y14340 [0,2,0,0,0,0|0,0,2]=4 41 B14R1.5971 N[C@@H](CC1=C(F)C=CC=C1O)C(=O)O Y14371 [0,2,0,0,0,0|0,0,2]=4 42 B14R1.5971 N[C@@H](CC1=C(F)C=CC=C1O)C(=O)O Y14485 [0,2,0,0,0,0|0,0,2]=4 43 B12R2.32 O=CC1=CC2=C(C=CN=C2)O1 D79839 [1,0,0,1,0,0|1,0,0]=3 44 B12R2.32 O=CC1=CC2=C(C=NC=C2)S1 D79728 [1,0,0,1,0,0|1,1,0]=4 45 B12R2.1081 NC1=CC=CC2=C1C=CCO2 C73284 [1,0,0,1,0,0|1,0,1]=4 46 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 C14609 [0,0,0,1,1,0|1,0,1]=4 47 B14R2.256 CC1=C(C2=NC=C(Br)O2)C=CC=C1 C11485 [0,0,0,1,0,1|2,0,0]=4 48 B14R2.768 CC(=O)CC1=CC2=C(C=CC=C2)N1 D93534 [0,0,0,1,0,1|2,0,0]=4 49 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 37242 [0,0,0,1,0,1|2,0,0]=4 50 B14R2.8032 O=C(O)C1=CN=C2C(Cl)=CC=CN12 W19021 [0,0,0,1,0,1|2,0,0]=4 51 B14R2.8032 O=C(O)C1=CNC2=C1C=CN=C2O 69400 [0,0,0,1,0,1|1,0,0]=3 52 B14R2.450 CC1=C(C(=O)O)SC2=NC=CC=C21 D84760 [0,1,0,1,0,0|1,1,0]=4 53 B14R2.1073 COC1=CC=CC2=C1N=CC(=O)N2 Y13545 [0,1,0,1,0,0|2,0,0]=4 54 B14R2.7969 CC1=CC=NC2=C1C=C(C(=O)O)N2 63730 [0,1,0,1,0,0|2,0,0]=4 55 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 Y14011 [0,1,0,1,0,0|1,1,0]=4 56 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)O1 W14709 [0,1,0,1,0,0|1,0,0]=3 57 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2F)S1 57199 [0,1,0,1,0,0|1,1,0]=4 58 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=NC=C2 C73937 [0,1,0,1,0,0|1,1,0]=4 59 B14R2.7969 O=C(O)C1=NN2C=CC=C(Br)C2=C1 P12650 [0,1,0,1,0,0|2,0,0]=4 60 B14R2.4529 O=C(O)C1=CC2=C(N=C(Br)C=C2)N1 38450 [0,1,0,1,0,0|2,0,0]=4 61 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2O1 AT14348 [0,1,0,1,0,0|1,0,0]=3 62 B14R2.4529 O=C(O)C1=NC2=C(C=C(F)C=C2)S1 28144 [0,1,0,1,0,0|1,1,0]=4 63 B14R2.4529 O=C(O)C1=NN2C=CC(Br)=CC2=C1 38462 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [0,0,0,0,2,0|1,1,0]=4