0 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 M7465 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 A13600 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 A18133 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.10 NC1=NSC(C2=CC=CC=C2)=N1 P8100 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 P1318 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P5888 [0,0,0,0,0,0|1,0,1]=2 6 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,0,0,0|1,0,1]=2 7 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,0,0,0|1,0,1]=2 8 B13R2.10 OC1=NC(C2=CC=CC=C2)=CS1 H8099 [0,0,0,0,0,0|1,1,2]=4 9 B13R2.10 OC1=NN(C2=CC=CC=C2)C=N1 P7510 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 P8185 [0,0,0,0,0,0|1,0,1]=2 11 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 P8825 [0,0,0,0,0,0|1,1,1]=3 12 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 P8186 [0,0,0,0,0,0|1,0,1]=2 13 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P8826 [0,0,0,0,0,0|1,1,1]=3 14 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 P6187 [1,0,0,0,0,0|2,0,1]=4 15 B12R2.2 C1=CC=C(C2=NCCC2)C=C1 P14087 [1,0,0,0,0,0|1,0,2]=4 16 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P12434 [1,0,0,0,0,0|1,0,2]=4 17 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P12433 [1,0,0,0,0,0|2,0,1]=4 18 B14R2.20 CC1=CC=C(C2=CSC(N)=N2)C=C1 T13954 [0,1,0,0,0,0|0,1,2]=4 19 B14R2.20 O=C1CCC(C2=CC=C(F)C=C2)O1 F8202 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.256 CC1=NC(C2=C(Br)C=CC=C2)=NO1 B16116 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.598 CC1=C(C2=CC=CC=C2)N=C(N)S1 M13874 [0,1,0,0,0,0|0,1,2]=4 22 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [0,0,1,0,0,0|3,0,0]=4 23 B12R1.27 CNC(=S)NCC1=CC=CC=C1 B8222 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A12635 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 H14844 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.252 N=C(N)CCOC1=CC=CC=C1 P16902 [0,0,1,0,0,0|2,0,0]=3 27 B12R1.252 NC(=O)CNCC1=CC=CC=C1 B13928 [0,0,1,0,0,0|3,0,0]=4 28 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,0,0,1|1,0,1]=3 29 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,0,0,1|1,0,1]=3 30 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,0,0,1|1,0,1]=3 31 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,0,0,1|1,0,1]=3 32 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 B8746 [0,0,0,0,0,1|1,0,1]=3 33 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 B9424 [0,0,0,0,0,1|1,1,1]=4 34 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 B8747 [0,0,0,0,0,1|1,0,1]=3 35 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 B9425 [0,0,0,0,0,1|1,1,1]=4 36 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=C1 P17222 [0,0,0,0,0,1|1,0,2]=4 37 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=C1 P17222 [0,0,0,0,0,1|1,0,2]=4 38 B14R2.68 NC1=NC=C(C2=CC=CC=C2)C=C1 A14286 [0,0,0,0,0,1|1,0,2]=4 39 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 T8097 [0,0,0,0,0,1|1,0,1]=3 40 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 T8096 [0,0,0,0,0,1|1,0,1]=3 41 B11R1.12 OCC(CO)C1=CC=CC=C1 P11674 [1,0,1,0,0,0|1,0,1]=4 42 B11R1.91 CC(N)CCC1=CC=CC=C1 M0184 [1,0,1,0,0,0|1,0,1]=4 43 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [1,0,1,0,0,0|2,0,0]=4 44 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 A15460 [0,1,1,0,0,0|2,0,0]=4 45 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M1255 [0,1,1,0,0,0|2,0,0]=4 46 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M13251 [0,1,1,0,0,0|2,0,0]=4 47 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 E8131 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M8214 [0,1,1,0,0,0|2,0,0]=4 51 B13R1.152 CC(C1=CC=CC=C1)[C@H](N)C(=O)O A12805 [0,1,1,0,0,0|2,0,0]=4 52 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 A3075 [0,1,0,0,0,1|1,0,1]=4 53 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T7513 [0,0,1,1,0,0|2,0,0]=4 54 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 P18879 [0,0,1,0,1,0|1,0,0]=3 55 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 P6188 [0,0,1,0,1,0|2,0,0]=4 56 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,0,1,0,1,0|2,0,0]=4 57 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,0,1,0,1,0|2,0,0]=4 58 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,0,1,0,1,0|2,0,0]=4 59 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,0,1,0,1,0|2,0,0]=4 60 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 M0801 [0,0,1,0,1,0|2,0,0]=4 61 B13R1.337 N=C(N)CCCOC1=CC=CC=C1 P16901 [0,0,1,0,0,1|1,0,0]=3 62 B13R1.337 N=C(N)CCOCC1=CC=CC=C1 B15807 [0,0,1,0,0,1|1,0,0]=3 63 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 P8178 [0,0,1,0,0,1|1,0,0]=3 64 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 P8178 [0,0,1,0,0,1|1,0,0]=3