0 B14R2.19 C=C1CCN(CC2=CC=CC=C2)C1 W16256 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.19 CC1=NN(CC2=CC=CC=C2)C=C1 P19566 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.19 NC1=NN(CC2=CC=CC=C2)N=N1 W18857 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.19 NC1=NNC(CC2=CC=CC=C2)=C1 FD13118 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56487 [0,0,0,0,0,0|1,1,1]=3 5 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56489 [0,0,0,0,0,0|1,1,1]=3 6 B13R2.64 C1=CC=C(CC2=NC=CN2)C=C1 F19846 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.64 C1=CC=C(CN2CCOC2)C=C1 T70230 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 83644 [1,0,0,0,0,0|1,0,2]=4 9 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 C78600 [1,0,0,0,0,0|2,0,1]=4 10 B15R2.325 CC1=CC(N)=NN1CC2=CC=CC=C2 80168 [0,1,0,0,0,0|2,0,1]=4 11 B15R2.325 NC1=NN(CC2=CC=CC=C2)C(=O)C1 F53552 [0,1,0,0,0,0|2,0,1]=4 12 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 30826 [0,1,0,0,0,0|1,0,2]=4 13 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 D97314 [0,0,1,0,0,0|3,0,0]=4 14 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 C76122 [0,0,1,0,0,0|1,0,0]=2 15 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 78486 [0,0,1,0,0,0|3,0,0]=4 16 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24748 [0,0,1,0,0,0|3,0,0]=4 17 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10278 [0,0,1,0,0,0|3,0,0]=4 18 B13R1.718 COC(=O)COCC1=CC=CC=C1 W10280 [0,0,1,0,0,0|3,0,0]=4 19 B13R1.718 COC(=O)NOCC1=CC=CC=C1 W13562 [0,0,1,0,0,0|2,0,1]=4 20 B13R1.718 COC(=O)\C=C\CC1=CC=CC=C1 67393 [0,0,1,0,0,0|2,0,1]=4 21 B15R3.2009 O=C1N[C@@H]2C3=C(C=CC=C3)C[C@@H]2O1 AC8176 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 27773 [0,0,0,0,1,0|2,0,1]=4 23 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 78069 [0,0,0,0,1,0|0,0,2]=3 24 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P18707 [0,0,0,0,1,0|2,0,1]=4 25 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [0,0,0,0,1,0|3,0,0]=4 26 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [0,0,0,0,1,0|3,0,0]=4 27 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [0,0,0,0,1,0|3,0,0]=4 28 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 39089 [0,0,0,0,1,0|1,1,1]=4 29 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 25676 [0,0,0,0,1,0|2,0,1]=4 30 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P10376 [0,0,0,0,1,0|1,1,1]=4 31 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 T71985 [0,0,0,0,1,0|1,1,1]=4 32 B13R2.31 NC1CC(CC2=CC=CC=C2)C1 67223 [0,0,0,0,1,0|1,0,1]=3 33 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 Y10930 [0,0,0,0,1,0|2,0,1]=4 34 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 67222 [0,0,0,0,1,0|2,0,0]=3 35 B13R2.31 OC1CC(CC2=CC=CC=C2)C1 67206 [0,0,0,0,1,0|2,0,1]=4 36 B15R2.31 O=C1COC[C@H](CC2=CC=CC=C2)N1 W16215 [0,0,0,0,0,1|1,0,1]=3 37 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [1,0,1,0,0,0|0,0,2]=4 38 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [1,0,1,0,0,0|0,0,2]=4 39 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12599 [1,0,1,0,0,0|0,0,2]=4 40 B12R1.118 N#C[C@H](CO)CC1=CC=CC=C1 AC5751 [1,0,1,0,0,0|0,0,2]=4 41 B12R1.118 OCC(CO)CC1=CC=CC=C1 20620 [1,0,1,0,0,0|1,0,1]=4 42 B14R1.549 CC(=O)N[C@H](CO)CC1=CC=CC=C1 C75463 [0,1,1,0,0,0|1,0,1]=4 43 B14R1.13 COC(=O)CCCC1=CC=C(F)C=C1 D84523 [0,1,1,0,0,0|2,0,0]=4 44 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 34043 [0,1,1,0,0,0|2,0,0]=4 45 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 11502 [0,1,0,0,1,0|1,0,1]=4 46 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,0,1,0,1,0|1,0,1]=4 47 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [0,0,1,0,1,0|2,0,0]=4 48 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [0,0,1,0,1,0|2,0,0]=4 49 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,0,1,0,1,0|2,0,0]=4 50 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [0,0,1,0,1,0|2,0,0]=4 51 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,0,1,0,1,0|2,0,0]=4 52 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,0,1,0,1,0|2,0,0]=4 53 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,0,1,0,1,0|2,0,0]=4 54 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,0,1,0,1,0|1,0,1]=4 55 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 50592 [1,0,0,0,1,0|0,0,2]=4 56 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 A50762 [1,0,0,0,1,0|1,0,1]=4 57 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [0,0,0,0,2,0|1,0,1]=4 58 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [0,0,0,0,2,0|1,0,1]=4 59 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,0,0,0,2,0|2,0,0]=4 60 B14R2.101 C1=CC=C(COC2CC=CC2)C=C1 83541 [1,0,0,0,0,1|2,0,0]=4