0 B14R2.256 CC1=C(C2=NOC(O)=C2)C=CC=C1 AC3921 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.256 CC1=C(C2=NOC(O)=C2)C=CC=C1 AC8801 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.256 CC1=C([C@@H]2CNC(=O)C2)C=CC=C1 58204 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.256 NC1=CC(C2=C(Br)C=CC=C2)=NO1 32447 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.256 NC1=CC(C2=C(Cl)C=CC=C2)=NO1 AC1661 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.256 NC1=NC(C2=C(Br)C=CC=C2)=CS1 86927 [0,0,0,0,0,0|1,1,2]=4 6 B14R2.256 NC1=NC(C2=C(Cl)C=CC=C2)=NN1 W15034 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.256 O=C1CC[C@@H](C2=C(Br)C=CC=C2)N1 74691 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.256 O=C1CC[C@H](C2=C(F)C=CC=C2)C1 53466 [0,0,0,0,0,0|4,0,0]=4 9 B14R2.256 O=C1C[C@H](C2=C(Br)C=CC=C2)CN1 F53811 [0,0,0,0,0,0|4,0,0]=4 10 B14R2.256 O=C1C[C@H](C2=C(Cl)C=CC=C2)CN1 65781 [0,0,0,0,0,0|4,0,0]=4 11 B14R2.256 O=C1C[C@H](C2=C(F)C=CC=C2)CN1 58206 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 27773 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 78069 [1,0,0,0,0,0|0,0,2]=3 14 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P18707 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 39089 [1,0,0,0,0,0|1,1,1]=4 19 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 25676 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P10376 [1,0,0,0,0,0|1,1,1]=4 21 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 T71985 [1,0,0,0,0,0|1,1,1]=4 22 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 AR1046 [1,0,0,0,0,0|1,0,2]=4 23 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 I11373 [1,0,0,0,0,0|1,0,2]=4 24 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 Y10470 [1,0,0,0,0,0|1,0,2]=4 25 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 Y10768 [1,0,0,0,0,0|1,0,2]=4 26 B15R2.303 CC1=C(F)C=CC=C1[C@@H]2COC(N)=N2 90497 [0,1,0,0,0,0|0,0,0]=1 27 B15R2.2189 COC1=C([C@@H]2CNC(=O)C2)C=CC=C1 58197 [0,1,0,0,0,0|3,0,0]=4 28 B15R2.2189 COC1=C([C@H]2CCC(=O)C2)C=CC=C1 53485 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 23591 [0,0,1,0,0,0|3,0,0]=4 30 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 A50482 [0,0,1,0,0,0|3,0,0]=4 31 B13R1.201 C[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 F30270 [0,0,1,0,0,0|3,0,0]=4 32 B13R1.528 COC(=O)\C=C\C1=C(C)C=CC=C1 W11677 [0,0,1,0,0,0|2,0,1]=4 33 B15R3.2009 O=C1N[C@@H]2C3=C(C=CC=C3)C[C@@H]2O1 AC8176 [0,0,0,1,0,0|1,0,1]=3 34 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [1,0,1,0,0,0|1,0,1]=4 37 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 50592 [2,0,0,0,0,0|0,0,2]=4 38 B14R1.727 COC(=O)CCC1=C(C)C=C(O)C=C1 F18685 [0,1,1,0,0,0|2,0,0]=4 39 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 11502 [1,1,0,0,0,0|1,0,1]=4 40 B14R2.2 O=C(O)C[C@H]1CCC2=C1C=CC=C2 20582 [0,0,1,1,0,0|2,0,0]=4 41 B14R2.972 COC(=O)C1CC2=C(C=CC=C2)C1 AC2381 [0,0,1,1,0,0|2,0,0]=4 42 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 D83457 [0,0,1,0,1,0|2,0,0]=4 43 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 Y11801 [0,0,1,0,1,0|2,0,0]=4 44 B12R1.371 CC1=C(C\C(N)=N/O)C=CC=C1 W10713 [0,0,1,0,1,0|2,0,0]=4 45 B12R1.371 COC(=O)CC1=C(I)C=CC=C1 D93618 [0,0,1,0,1,0|2,0,0]=4 46 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 26282 [0,0,1,0,1,0|2,0,0]=4 47 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 35782 [0,0,1,0,1,0|2,0,0]=4 48 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [1,0,0,0,1,0|1,0,1]=4 49 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [1,0,0,0,1,0|1,0,1]=4 50 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [1,0,0,0,1,0|2,0,0]=4 51 B12R2.517 IC1=C(C2COC2)C=CC=C1 86794 [1,0,0,0,1,0|1,0,1]=4 52 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77666 [1,0,0,0,0,1|1,0,1]=4 53 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P17213 [1,0,0,0,0,1|1,0,1]=4