0 B17R2.2342 C[C@@H](NCC1=CC=CC=C1)C2=CC=CC=C2 B39732 [1,0,0,0,0,0|2,0,1]=4 1 B17R2.2342 C[C@H](NCC1=CC=CC=C1)C2=CC=CC=C2 B68756 [1,0,0,0,0,0|2,0,1]=4 2 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 B57604 [1,0,0,0,0,0|1,0,0]=2 3 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CN=CC=C2 B64780 [1,0,0,0,0,0|1,0,0]=2 4 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 D69396 [1,0,0,0,0,0|1,0,1]=3 5 B19R2.4401 O=C(NCC1=CN=CC=C1)C2=CC=CC(Cl)=C2Cl D66496 [0,1,0,0,0,0|3,0,0]=4 6 B17R2.3417 NC1=C(C(=O)NC2=CN=CC=C2)C=CC=C1 A55648 [0,0,0,0,1,0|3,0,0]=4 7 B17R2.3417 O=C(CC1=CC=NC=C1)C2=C(Cl)C=CC=C2 C56674 [0,0,0,0,1,0|2,0,0]=3 8 B19R2.4485 O=C(C=CC1=CC=CC=C1)NC2=C(F)C=CC=C2 F58161 [0,0,0,0,0,1|2,0,1]=4 9 B19R2.4485 O=C(CCC1=CC=CC=C1)NC2=C(Br)C=CC=C2 B60692 [0,0,0,0,0,1|2,0,0]=3 10 B19R2.4485 O=C(NC1=CC=CNC1=O)OCC2=CC=CC=C2 B56754 [0,0,0,0,0,1|1,0,1]=3 11 B16R2.2256 C1=CC=C(CCOC2=CC=CC=C2)C=C1 P67709 [2,0,0,0,0,0|2,0,0]=4 12 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 D69321 [2,0,0,0,0,0|1,0,1]=4 13 B18R2.253 CC1=CC=C(C(=O)OCC2=CC=CC=C2)C=C1 B58228 [1,1,0,0,0,0|0,0,0]=2 14 B18R2.253 NC1=CC=C(C(=O)NCC2=CN=CC=C2)C=C1 A65840 [1,1,0,0,0,0|2,0,0]=4 15 B18R2.253 O=C(OCC1=CC=CC=C1)C2=CC=C(I)C=C2 B37269 [1,1,0,0,0,0|0,0,0]=2 16 B18R2.257 O=C(\C=C\C1=CC=C(F)C=C1)C2=CC=CC=C2 F62139 [1,1,0,0,0,0|1,0,1]=4 17 B18R2.3634 O=C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 D68292 [1,1,0,0,0,0|1,0,1]=4 18 B18R2.3634 O=C(OC(=O)C1=CC=CC=C1)C2=CC=CC=C2 B60802 [1,1,0,0,0,0|0,0,1]=3 19 B18R2.3047 COC1=C(C(=O)CC2=CC=CC=C2)C=CC=C1 M58230 [0,1,0,0,1,0|0,0,0]=2 20 B18R2.6485 CC1=CC=CC(Cl)=C1C(=O)NC2=CC=CC=C2 C57564 [0,1,0,0,1,0|2,0,0]=4 21 B18R2.6536 NC1=C(C(=O)NC2=CC=CC=C2)C=C(F)C=C1 A56700 [0,1,0,0,1,0|2,0,0]=4 22 B18R2.32648 CC1=C(NC(=O)C2=C(C)C=CC=C2)C=CC=C1 M58257 [0,1,0,0,1,0|2,0,0]=4 23 B18R2.32648 CC1=C(NC(=O)C2=C(N)C=CC=C2)C=CC=C1 A57636 [0,1,0,0,1,0|2,0,0]=4 24 B20R2.75750 O=C(NC1=C(F)C=C(F)C=C1)OCC2=CC=CC=C2 B57513 [0,1,0,0,0,1|1,0,0]=3 25 B20R2.10746 O=C(O)C1=C(C(=O)OCC2=CC=CC=C2)C=CC=C1 B68508 [0,2,0,0,0,0|0,0,0]=2 26 B18R2.7138 O=C(O)C1=C(OCC2=CC=CC=C2)C=CC=C1 B67388 [0,0,1,1,0,0|2,0,0]=4 27 B18R3.11551 O=C1C[C@H](C2=CC=CC=C2)C3=C1C=CC=C3 P58164 [1,0,0,1,0,0|1,0,0]=3 28 B18R3.111 O=C1C2=C(C=CC=C2)CN1C3=CC=CC=C3 P57508 [0,0,0,1,1,0|2,0,0]=4 29 B18R3.2098 C1=CC=C(CC2=NNC3=C2C=CC=C3)C=C1 B39109 [0,0,0,1,1,0|2,0,0]=4 30 B18R3.92719 O=C1NC2=C(C=CC=C2)NC3=C1C=CC=C3 D67246 [0,0,0,1,1,0|2,0,0]=4 31 B18R3.92719 O=C1NC2=C(C=CC=C2)SC3=C1C=CC=C3 D57377 [0,0,0,1,1,0|1,1,0]=4 32 B20R3.13449 O=C1CN(CC2=CC=CC=C2)CC3=C1C=CC=C3 B58875 [0,0,0,1,0,1|2,0,0]=4 33 B20R3.2720 C1=CC=C(COC2=CC=CC3=CC=CC=C32)C=C1 B58912 [0,1,0,1,0,0|2,0,0]=4 34 B20R3.247868 O=C1C=C(C2=CC=CC=C2)OC3=C1C(O)=CC=C3 H64753 [0,1,0,1,0,0|1,0,1]=4 35 B16R2.88 CN(CC1=CC=CC=C1)C2=CC=CC=C2 B57663 [1,0,0,0,1,0|2,0,0]=4 36 B16R2.88 N=C(NC1=CC=CC=C1)C2=CC=CC=C2 P56744 [1,0,0,0,1,0|2,0,0]=4 37 B16R2.88 O=C(CC1=CC=NC=C1)C2=CC=CC=C2 P38200 [1,0,0,0,1,0|1,0,0]=3 38 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=NC=C2 P55559 [1,0,0,0,1,0|2,0,0]=4 39 B16R2.71 BrC1=C(NCC2=CC=CC=C2)C=CC=C1 B4975 [1,0,0,0,1,0|2,0,0]=4 40 B16R2.71 BrC1=NC=CC=C1OCC2=CC=CC=C2 B55593 [1,0,0,0,1,0|2,0,0]=4 41 B16R2.71 FC1=C(OCC2=CC=CC=C2)C=CC=C1 B56740 [1,0,0,0,1,0|1,0,0]=3 42 B16R2.71 IC1=C(OCC2=CC=CC=C2)C=CC=C1 B65415 [1,0,0,0,1,0|1,0,0]=3 43 B16R2.71 NC1=C(NCC2=CC=CC=C2)C=CC=C1 B66762 [1,0,0,0,1,0|2,0,0]=4 44 B16R2.71 NC1=C(OCC2=CC=CC=C2)C=CC=C1 B56809 [1,0,0,0,1,0|1,0,0]=3 45 B16R2.71 NC1=C(OCC2=CC=CC=C2)C=CC=N1 A55702 [1,0,0,0,1,0|2,0,0]=4 46 B16R2.71 O=C1C=COC=C1OCC2=CC=CC=C2 B55619 [1,0,0,0,1,0|1,0,1]=4 47 B16R2.71 OC1=C(OCC2=CC=CC=C2)C=CC=C1 B56778 [1,0,0,0,1,0|0,0,0]=2 48 B16R2.71 OC1=CC=CN=C1OCC2=CC=CC=C2 B55659 [1,0,0,0,1,0|1,0,0]=3 49 B16R2.3896 CC1=C(C(=O)C2=CC=CC=C2)C=CC=C1 M39722 [0,0,0,0,2,0|1,0,0]=3 50 B16R2.3896 C[C@@H](C1=CC=CC=C1)C2=C(O)C=CC=C2 P39084 [0,0,0,0,2,0|1,0,1]=4 51 B16R2.3896 NC1=C(C(=O)C2=CC=CC=C2)C=CC=C1 A39697 [0,0,0,0,2,0|1,0,0]=3 52 B16R2.3896 O=C(C1=CC=CC=C1)C2=C(Br)C=CC=C2 B57383 [0,0,0,0,2,0|1,0,0]=3 53 B16R2.3896 O=C(C1=CC=CC=C1)C2=C(Cl)C=CC=C2 C39716 [0,0,0,0,2,0|1,0,0]=3 54 B18R2.7189 O=C(NCCC1=CC=CC=C1)C2=CC=CC=C2 P64247 [1,0,0,0,0,1|1,0,0]=3 55 B18R2.3984 OC1=C(C=NN=CC2=CC=CC=C2)C=CC=C1 B57550 [1,0,0,0,0,1|1,0,1]=4