0 B12R2.18 CC1=NN2C=CC=CC2=C1Br 89514 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [1,0,0,0,0,0|1,0,2]=4 2 B11R2.1 NC1=C2C=CC=CN2N=C1 C14653 [1,0,0,0,0,0|3,0,0]=4 3 B11R2.1 NC1=CNC2=C1C=NC=C2 AC3430 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [1,0,0,0,0,0|1,0,2]=4 5 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [1,0,0,0,0,0|1,0,2]=4 6 B11R2.10 BrC1=CC2=C(C=CC=N2)S1 73440 [1,0,0,0,0,0|2,1,0]=4 7 B11R2.10 BrC1=CC2=C(C=CN=C2)N1 D84807 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.10 CC1=CC2=CN=CN=C2N1 38251 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.10 CC1=CC2=NC=CN=C2N1 P19354 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.10 NC1=NC2=C(C=NC=C2)O1 C72074 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.10 NC1=NN2C=CC=CC2=C1 D96321 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.3028 CC1=C(Br)N2C=C(F)C=CC2=N1 W13586 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.3028 CC1=C(N)N2C=C(F)C=CC2=N1 O11592 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 37033 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.3028 CN1C(=O)NC2=C1C=C(Br)C=C2 79273 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.3028 CN1C(Cl)=NC2=C1C=C(Br)C=C2 79225 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.3028 NC1=CC2=C(C=C1)SC(Cl)=C2Br C13208 [0,1,0,0,0,0|2,1,0]=4 18 B13R2.4825 CC1=C(C)C2=C(N1)C(Cl)=NC=N2 P11991 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.4825 CC1=C(I)N2C=CC=C(Cl)C2=N1 W14714 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.4825 CC1=C2C=CC=C(N)C2=NN1C P18212 [0,1,0,0,0,0|2,0,0]=3 21 B13R2.4825 CN1C2=CC=CC(Br)=C2N=C1Cl 79224 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.4856 CC1=C(C)C2=C(N=CN=C2Cl)N1 W10456 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.4856 CC1=C2C(N)=CC=CC2=NN1C P18211 [0,1,0,0,0,0|2,0,0]=3 24 B13R2.5190 CC1=CC2=NC(C)=C(Br)N2C=C1 CS2190 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 Y10854 [0,0,1,0,0,0|1,0,2]=4 26 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15521 [0,0,1,0,0,0|1,0,2]=4 27 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y10855 [0,0,1,0,0,0|1,0,2]=4 28 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y11162 [0,0,1,0,0,0|1,0,2]=4 29 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D78838 [0,0,1,0,0,0|2,0,1]=4 30 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98059 [0,0,1,0,0,0|1,0,2]=4 31 B13R2.32 CC1=CC=C2C=NC=CC2=C1N AT16420 [0,0,0,0,0,1|3,0,0]=4 32 B13R2.32 FC1=C(I)C2=CC=CC=C2N=C1 79247 [0,0,0,0,0,1|3,0,0]=4 33 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 F13243 [0,0,0,0,0,1|3,0,0]=4 34 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 C73677 [0,0,0,0,0,1|1,0,2]=4 35 B13R2.328 ClC1=CC(Br)=CC2=CC=CC=C12 A10654 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.328 NC1=CC(Br)=CC2=CC=CC=C12 W17912 [0,0,0,0,0,1|3,0,0]=4 37 B13R2.328 NC1=CC(O)=CC2=CC=CC=C12 D97229 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)O1 E70006 [0,0,0,0,0,1|2,0,0]=3 39 B13R2.369 CC1=C(N)C=C2N=CC=CC2=C1 C72193 [0,0,0,0,0,1|3,0,0]=4 40 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br P17804 [0,0,0,0,0,1|2,0,0]=3 41 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [1,0,1,0,0,0|1,0,1]=4 42 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 Y11075 [0,1,1,0,0,0|1,0,1]=4 43 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 C91447 [0,1,1,0,0,0|1,0,1]=4 44 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 C91448 [0,1,1,0,0,0|1,0,1]=4 45 B12R1.24 COC(=O)C1=CC=CC(I)=C1O AT10729 [0,1,1,0,0,0|2,0,0]=4 46 B12R2.132 O=C1COC2=C1C=C(F)C=C2 Y13790 [1,1,0,0,0,0|1,0,1]=4 47 B12R2.196 CC1=CSC2=C1C=CN=C2Cl W17905 [1,1,0,0,0,0|1,1,0]=4 48 B12R2.203 CC1=CNC2=CN=CC(Br)=C12 P20052 [1,1,0,0,0,0|2,0,0]=4 49 B12R2.203 CC1=COC2=C1C(Cl)=NC=N2 52740 [1,1,0,0,0,0|2,0,0]=4 50 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Y14103 [1,1,0,0,0,0|1,0,1]=4 51 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 P11527 [1,1,0,0,0,0|1,0,0]=3 52 B12R2.32 NCC1=CC2=C(C=CN=C2)N1 77865 [1,1,0,0,0,0|2,0,0]=4 53 B12R2.32 O=CC1=CC2=C(C=CN=C2)O1 D79839 [1,1,0,0,0,0|1,0,1]=4 54 B12R2.202 CN1C=C2C=CC=C(O)C2=N1 D79666 [1,1,0,0,0,0|2,0,0]=4 55 B12R2.606 CC1=CC2=C(N=C(Cl)C=C2)N1 P20328 [1,1,0,0,0,0|2,0,0]=4 56 B12R2.606 CC1=CC2=CC(Cl)=CN=C2N1 53323 [1,1,0,0,0,0|2,0,0]=4 57 B12R2.606 CC1=CC2=CN=C(Cl)C=C2N1 P18094 [1,1,0,0,0,0|2,0,0]=4 58 B12R2.606 NC1=CC2=C(C=C1)N=C(N)O2 AC4391 [1,1,0,0,0,0|2,0,0]=4 59 B14R2.4513 CN1C(=O)COC2=C1C=C(N)C=C2 W18825 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.7724 CC1=C(Cl)N=C(Br)C2=CC=CC=C21 79127 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.7724 O=C1OC(Cl)=C(Cl)C2=C1C=CC=C2 D81013 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.29369 O=C1C(I)=COC2=C1C=CC(O)=C2 87260 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.1019 CC1=NC(CO)=NC2=CC=CC=C21 C12759 [0,1,0,0,0,1|1,0,0]=3 64 B14R2.1019 COC1=CC2=C(C=CC=C2)C(=O)N1 P20791 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.1019 COC1=CC2=CC=CC=C2C(Cl)=N1 P20621 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.1146 CNC1=NC(Cl)=CC2=CC=CC=C21 D80083 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.1146 COC1=CC(Cl)=NC2=CC=CC=C21 88970 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.8045 CC1=C2C=CC=C(Br)C2=CC(Cl)=N1 D80086 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.8045 CC1=NC2=C(C=CC=C2O)C(=O)N1 D95563 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.8235 CC1=C2C=C(Br)C=CC2=NC(Cl)=N1 P10781 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.28480 CC1=NC2=CC=CC(C)=C2C(Cl)=C1 W10450 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.28480 CC1=NC2=CC=CC(Cl)=C2C(=O)O1 W11099 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.29365 CC1=C2C=CC(Br)=CC2=NC(Cl)=N1 P20504 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.28472 CC1=C(C)N=C2C(Cl)=NC=CC2=N1 D76049 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.645 CC1=C2C=C(Br)C(F)=CC2=NN1C D79111 [0,2,0,0,0,0|2,0,0]=4