0 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 CS-W004848 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 CS-4674 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.24 CCCCCC(O)C1=CC=CC=C1 CS-0198344 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.24 CCCCOC(=O)C1=CN=CC=C1 CS-0152098 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 CS-0372187 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 CS-0204232 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.337 CN(C)CCNCC1=CC=CC=C1 CS-0214641 [1,0,0,0,0,0|2,0,1]=4 7 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 CS-0150697 [0,1,0,0,0,0|2,0,1]=4 8 B15R2.59 CC(C)[C@@H]1COC(C2=NC=CC=C2)=N1 CS-0087531 [0,0,0,1,0,0|2,0,0]=3 9 B15R2.59 CC(C)[C@@H]1COC(C2=NC=CC=N2)=N1 CS-0179438 [0,0,0,1,0,0|3,0,0]=4 10 B15R2.59 CC(C)[C@@H]1COC(C2=NC=CN=C2)=N1 CS-0179444 [0,0,0,1,0,0|3,0,0]=4 11 B15R2.59 CC(C)[C@H]1COC(C2=NC=CC=C2)=N1 CS-0086736 [0,0,0,1,0,0|2,0,0]=3 12 B15R2.612 O=C1CC(OC(=O)C2=CC=CC=C2)N1 CS-0207163 [0,0,0,1,0,0|2,0,1]=4 13 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 CS-0013623 [0,0,0,0,1,0|3,0,0]=4 14 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=C1 CS-0498756 [0,0,0,0,1,0|1,0,2]=4 15 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CS-W001943 [0,0,0,0,1,0|2,0,1]=4 16 B12R1.8 BrCCCOCC1=CC=CC=C1 CS-W001590 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.8 CCCCC#CC1=CC=CC=C1 CS-0152398 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.8 CCCCCNC1=CC=CC=C1 CS-0152133 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.8 OCCCOCC1=CC=CC=C1 CS-W004789 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 CS-0109541 [2,0,0,0,0,0|0,0,2]=4 21 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CS-0205152 [2,0,0,0,0,0|0,0,2]=4 22 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CS-W010853 [2,0,0,0,0,0|0,0,0]=2 23 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS-0152062 [2,0,0,0,0,0|0,0,0]=2 24 B12R1.30 O=C(OCCBr)C1=CC=CC=C1 CS-0156543 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 CS-W016989 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.30 O=C(OCCI)C1=CC=CC=C1 CS-0207181 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CS-0233065 [2,0,0,0,0,0|1,0,0]=3 28 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 CS-4783 [1,1,0,0,0,0|0,0,0]=2 29 B14R1.20 CCCCNC(=O)C1=CC(N)=CC=C1 CS-0186766 [1,1,0,0,0,0|1,0,0]=3 30 B14R1.38 CCCCCCC(=O)C1=CC=CC=C1 CS-W015877 [1,1,0,0,0,0|1,0,0]=3 31 B14R1.46 CCCCNS(=O)(=O)C1=CC=CC=C1 CS-W014968 [1,1,0,0,0,0|2,0,0]=4 32 B14R1.1035 NC1=C(C(=O)NCCCO)C=CC=C1 CS-0205032 [1,1,0,0,0,0|2,0,0]=4 33 B14R1.415 CC(C)C(=O)CC(=O)C1=CC=CC=C1 CS-0222762 [0,1,0,0,1,0|0,0,1]=3 34 B14R1.678 CC(C)COC(=O)C1=CC=C(N)C=C1 CS-0013624 [0,1,0,0,1,0|0,0,0]=2 35 B14R1.678 CC(C)COC(=O)C1=CC=C(O)C=C1 CS-W015742 [0,1,0,0,1,0|0,0,0]=2 36 B14R1.678 CN(C)CCC(=O)C1=CC=C(Cl)C=C1 CS-0151292 [0,1,0,0,1,0|1,0,0]=3 37 B14R2.510 CC\C=C1/OC(=O)C2=C1C=CC=C2 CS-0431730 [1,0,0,1,0,0|0,0,2]=4 38 B14R2.436 BrC1CC(OCC2=CC=CC=C2)C1 CS-0053054 [1,0,0,1,0,0|1,0,1]=4 39 B14R2.436 N[C@H]1C[C@H](OCC2=CC=CC=C2)C1 CS-0047820 [1,0,0,1,0,0|1,0,1]=4 40 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 CS-0017753 [1,0,0,1,0,0|1,0,1]=4 41 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 CS-0047819 [1,0,0,1,0,0|1,0,1]=4 42 B14R2.403 CC1(C)COC(C2=CC=CC=N2)=N1 CS-0610962 [0,0,0,1,1,0|2,0,0]=4 43 B14R2.422 O=C(C1=CC=CC=C1)N2CC(O)C2 CS-0233449 [0,0,0,1,1,0|2,0,0]=4 44 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 CS-0067919 [0,0,0,1,1,0|0,0,0]=2 45 B14R2.29285 C[Si]1(C)CNC(=O)C2=CC=CC=C21 CS-0058898 [0,0,0,1,1,0|1,1,0]=4 46 B16R2.120 NC1CCN(C(=O)C2=CC=CC=C2)CC1 CS-0775403 [0,1,0,1,0,0|2,0,0]=4 47 B16R2.120 O=C(C1=CC=CC=C1)N2CCC(O)CC2 CS-WAA0238 [0,1,0,1,0,0|2,0,0]=4 48 B16R2.141 CC[C@@H](C)[C@H]1COC(C2=NC=CC=C2)=N1 CS-0775417 [0,1,0,1,0,0|2,0,0]=4 49 B16R2.141 CC[C@H](C)C1COC(C2=CC=CC=N2)=N1 CS-0610765 [0,1,0,1,0,0|2,0,0]=4 50 B16R2.44951 CC(C)CN1C(=O)C(=O)C2=CC=CC=C21 CS-0218466 [0,1,0,1,0,0|2,0,0]=4 51 B16R2.3270 CC(C)[C@@H]1COC(C2=CC=CC=C2Br)=N1 CS-0505998 [0,1,0,1,0,0|1,0,0]=3 52 B16R2.3270 CC(C)[C@H]1COC(C2=CC=CC=C2Br)=N1 CS-0506375 [0,1,0,1,0,0|1,0,0]=3 53 B16R2.2918 CC1=CC=CC(C2=N[C@H](C(C)C)CO2)=N1 CS-0527595 [0,1,0,1,0,0|2,0,0]=4 54 B16R2.2918 CC1=NC(C2=N[C@@H](C(C)C)CO2)=CC=C1 CS-0434301 [0,1,0,1,0,0|2,0,0]=4 55 B16R2.2309 CC(C)(C)[C@@H]1COC(C2=NC=CC=C2)=N1 CS-0087140 [0,1,0,1,0,0|2,0,0]=4 56 B16R2.2309 CC(C)(C)[C@H]1COC(C2=NC=CC=C2)=N1 CS-0086109 [0,1,0,1,0,0|2,0,0]=4 57 B12R1.252 CC(C)CNCC1=CC=CC=C1 CS-0116902 [1,0,0,0,1,0|1,0,1]=4 58 B12R1.252 CC(O)COCC1=CC=CC=C1 CS-W017858 [1,0,0,0,1,0|1,0,1]=4 59 B12R1.252 CN(C)CCNC1=CC=CC=C1 CS-0252231 [1,0,0,0,1,0|2,0,0]=4 60 B12R1.252 [C@@H](C)(O)COCC1=CC=CC=C1 CS-W017736 [1,0,0,0,1,0|1,0,1]=4 61 B12R1.252 [C@H](C)(O)COCC1=CC=CC=C1 CS-W017860 [1,0,0,0,1,0|1,0,1]=4 62 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 CS-W010467 [0,0,0,0,2,0|2,0,0]=4 63 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS-W014323 [0,0,0,0,2,0|1,0,1]=4 64 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 CS-0082896 [0,0,0,0,2,0|0,0,0]=2 65 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 CS-0201972 [0,0,0,0,2,0|1,0,1]=4 66 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 CS-0095487 [0,0,0,0,2,0|1,0,1]=4 67 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 CS-0097724 [0,0,0,0,2,0|1,0,1]=4 68 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CS-W017911 [0,0,0,0,2,0|0,0,0]=2 69 B16R1.608 CC(C)OCNC(=O)OCC1=CC=CC=C1 CS-0568967 [0,0,0,0,0,2|2,0,0]=4