0 B11R1.12 CCC(C#N)C1=CC=CC=C1 P4793 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.12 COC(OC)C1=NC=NC=C1 D14032 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.12 OCC(CO)C1=CC=CC=C1 P11674 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.15 CCC(=O)C1=CC=CC=C1 P18860 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 E6698 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.15 CC[C@H](N)C1=CC=CC=C1 E6699 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.15 COC(=O)C1=CC=CN=C1 M0305 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A14785 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.15 NC[C@H](O)C1=CC=CC=C1 A18262 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P4802 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 P1975 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.3 CCN(CCCl)C1=CC=CC=C1 C8346 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 D7654 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.12 CCN(CC)C1=CC=C([NH3+])C=C1 D12727 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 P0867 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 A13872 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.2 C1=CC=C(C2=NCCC2)C=C1 P14087 [0,0,0,1,0,0|2,0,1]=4 21 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P12434 [0,0,0,1,0,0|2,0,0]=3 22 B12R2.2 C1=CC=C(C2CCCN2)N=C1 P17214 [0,0,0,1,0,0|3,0,0]=4 23 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P12433 [0,0,0,1,0,0|3,0,0]=4 24 B12R1.118 CNC(CO)CC1=CC=CC=C1 M7684 [0,0,0,0,0,1|3,0,0]=4 25 B12R1.118 CNC(CO)CC1=CC=CC=C1 M9105 [0,0,0,0,0,1|3,0,0]=4 26 B9R1.6 CN(C)C1=CC=NC=C1 D2370 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.6 C[C@@H](N)C1=CC=CC=C1 M5022 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.6 C[C@H](N)C1=CC=CC=C1 M5997 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.6 OB(O)C1=CC=CC=C1 N2145 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.6 OB(O)C1=CC=CC=N1 P4048 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.6 OB(O)C1=CC=CN=C1 P4049 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.6 OB(O)C1=CC=CN=C1 P4049 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.6 OB(O)C1=CC=NC=C1 P2873 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.8 BrCCC1=CC=CC=C1 B1499 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.8 CCC[N+]1=CC=CC=C1 P9114 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.8 CNCC1=CC=CC=C1 C12471 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.8 CNCC1=CN=CC=C1 M13405 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.8 C\N=C/C1=CC=CC=C1 B11532 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.8 NCCC1=CC=CC=C1 P18797 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.8 NCCC1=CC=CC=C1 P19425 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.8 NNCC1=CC=CC=C1 B8798 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.8 NOCC1=CC=CC=C1 B7490 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.8 NOCC1=CC=CC=C1 B7490 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.16 CNCC(O)C1=CC=CC=C1 M12439 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C7851 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C7852 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.22 CCC(O)C1=CC=C(N)C=C1 A14442 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.22 COC(=O)C1=CC=C(F)C=C1 M3210 [1,1,0,0,0,0|0,0,2]=4 49 B11R1.22 COC(=O)C1=CC=C(I)C=C1 M11095 [1,1,0,0,0,0|0,0,2]=4 50 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 A15527 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Br)C=C1 B9443 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 M7840 [1,1,0,0,0,0|0,0,2]=4 53 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 A3766 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 P18879 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 M0801 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.222 COC(=O)C1=CC=CC=C1C P3622 [1,1,0,0,0,0|0,0,2]=4 59 B11R1.222 COC(=O)C1=CC=CC=C1Cl M16628 [1,1,0,0,0,0|0,0,2]=4 60 B11R1.222 COC(=O)C1=CC=CC=C1N M16626 [1,1,0,0,0,0|0,0,2]=4 61 B11R1.222 NCC(O)C1=CC=CC=C1Cl A14632 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 C18779 [1,1,0,0,0,0|2,0,0]=4 63 B13R1.145 COC(CC1=CC=C(O)C=C1)OC D15713 [0,1,0,0,0,1|0,0,0]=2 64 B13R1.646 COC(OC)C1=NC(SC)=NC=C1 D14512 [0,2,0,0,0,0|2,0,0]=4 65 B11R2.1 ClC1CCC2=CC=CC=C21 C17006 [1,0,0,1,0,0|2,0,0]=4 66 B11R2.1 NC1CCC2=CC=CC=C21 I17072 [1,0,0,1,0,0|2,0,0]=4 67 B11R2.1 OC1CCC2=CC=CC=C21 I17073 [1,0,0,1,0,0|1,0,0]=3 68 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 B15290 [0,0,0,1,0,1|2,0,0]=4 69 B13R2.64 C1=CC=C(NC2CCCC2)C=C1 C17012 [0,0,0,1,0,1|2,0,0]=4 70 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 C17751 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 P13503 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.3 C1=CC=C(C2COCCN2)C=C1 P17130 [0,1,0,1,0,0|1,0,0]=3 73 B13R2.12 BrC1=CC=C(C2CCCN2)C=C1 B18501 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.12 FC1=CC=C(C2CCCN2)C=C1 F16381 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.12 OC1=CC=C(C2NCCO2)C=C1 O15903 [0,1,0,1,0,0|1,0,0]=3