0 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 C02796 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.18 CC1C(=O)NC2=CC=CC=C21 C02366 [0,0,0,0,0,0|2,0,1]=3 2 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O C11129 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.18 O=C1NC2=C(C=CC=C2)C1O C11130 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.18 OC1=C(O)C2=CC=CC=C2N1 C02775 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.1 CC1=CNC2=C1C=CC=C2 C08313 [1,0,0,0,0,0|1,0,0]=2 6 B11R2.1 NC1=CNC2=CC=CC=C12 C01819 [1,0,0,0,0,0|2,0,0]=3 7 B11R2.1 O=C1CCC2=C1C=CC=C2 C01504 [1,0,0,0,0,0|2,0,1]=4 8 B11R2.1 OC1=CNC2=CC=CC=C12 C05658 [1,0,0,0,0,0|2,0,0]=3 9 B11R2.10 NC1=NC2=C(C=CC=C2)N1 C10901 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.10 O=C1CC2=C(C=CC=C2)N1 C12312 [1,0,0,0,0,0|2,0,1]=4 11 B11R2.10 O=C1CC2=CC=CC=C2C1 C07727 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.10 SC1=NC2=C(C=CC=C2)S1 C14437 [1,0,0,0,0,0|2,1,0]=4 13 B13R2.135 CCN1C(=O)NC2=CC=CC=C21 C13840 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.359 CC1(O)C(=O)NC2=CC=CC=C21 C05834 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 C17268 [0,0,1,0,0,0|1,0,1]=3 16 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 C08301 [0,0,1,0,0,0|2,0,1]=4 17 B11R1.36 N=C(C1=CC=CC=C1)S(=O)O C16285 [0,0,1,0,0,0|3,0,0]=4 18 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 C18623 [0,0,1,0,0,0|2,0,1]=4 19 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 C02137 [0,0,1,0,0,0|2,0,0]=3 20 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 C01984 [0,0,1,0,0,0|2,0,1]=4 21 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 C01983 [0,0,1,0,0,0|2,0,1]=4 22 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 C07164 [0,0,1,0,0,0|2,0,1]=4 23 B11R1.41 O=CNC1=C(C=O)C=CC=C1 C03574 [0,0,1,0,0,0|3,0,0]=4 24 B11R1.222 CCC(C)C1=CC=CC=C1O C14138 [0,0,1,0,0,0|0,0,2]=3 25 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 C17512 [0,0,1,0,0,0|3,0,0]=4 26 B11R1.222 COC(=O)C1=CC=CC=C1N C20634 [0,0,1,0,0,0|3,0,0]=4 27 B11R1.222 COC(=O)C1=CC=CC=C1O C12305 [0,0,1,0,0,0|2,0,0]=3 28 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 C11343 [0,0,1,0,0,0|3,0,0]=4 29 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 C14329 [0,0,0,0,0,1|1,0,0]=2 30 B13R2.32 O=C1C(O)=CNC2=CC=CC=C12 C11503 [0,0,0,0,0,1|3,0,0]=4 31 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O C14783 [0,0,0,0,0,1|3,0,0]=4 32 B13R2.32 OC1=C(O)C2=C(C=CC=C2)N=C1 C06330 [0,0,0,0,0,1|3,0,0]=4 33 B13R2.32 OC1=CC=C2C=CC=CC2=C1O C03012 [0,0,0,0,0,1|3,0,0]=4 34 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 C16716 [0,0,0,0,0,1|3,0,0]=4 35 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 C20414 [0,0,0,0,0,1|2,0,0]=3 36 B13R2.328 O=C1O[Bi](O)OC2=CC=CC=C12 C07870 [0,0,0,0,0,1|3,0,0]=4 37 B13R2.369 CC1=CC2=C(C=CC=C2)N=C1O C06345 [0,0,0,0,0,1|2,0,0]=3 38 B13R2.369 O=C1NC2=C(C=CC=C2)OC1O C15769 [0,0,0,0,0,1|2,0,1]=4 39 B13R2.369 OC1=CC2=CC=CC=C2C=C1O C16213 [0,0,0,0,0,1|3,0,0]=4 40 B10R1.15 C=C(C=O)C1=CC=CC=C1 C16592 [1,0,1,0,0,0|0,0,2]=4 41 B10R1.15 CCC(C)C1=CC=CC=C1 C14142 [1,0,1,0,0,0|0,0,2]=4 42 B10R1.15 COC(=O)C1=CC=CC=C1 C20645 [1,0,1,0,0,0|2,0,0]=4 43 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [1,0,1,0,0,0|1,0,1]=4 44 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [1,0,1,0,0,0|0,0,2]=4 45 B10R1.18 CC(=O)NC1=CC=CC=C1 C07565 [1,0,1,0,0,0|1,0,1]=4 46 B10R1.18 CC(=O)OC1=CC=CC=C1 C00548 [1,0,1,0,0,0|1,0,0]=3 47 B10R1.18 CC(=O)OC1=CC=CC=C1 C15583 [1,0,1,0,0,0|1,0,0]=3 48 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [1,0,1,0,0,0|1,0,1]=4 49 B10R1.17 O=C\C=C\C1=CC=CC=C1 C00903 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.61 O=C(O)C1=CC=CC=C1O C00805 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 C07587 [1,0,1,0,0,0|2,0,0]=4 52 B10R2.7 C1=CC2=C(C=C1)NC=C2 C00463 [2,0,0,0,0,0|1,0,0]=3 53 B10R2.7 C1=CC=C2NC=NC2=C1 C02009 [2,0,0,0,0,0|2,0,0]=4 54 B10R2.7 C1=CC=C2OC=CC2=C1 C14512 [2,0,0,0,0,0|0,0,0]=2 55 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 C03080 [0,1,1,0,0,0|1,0,1]=4 56 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 C03590 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.124 NC1=CC=CC=C1C(=O)C(=O)O C21155 [0,1,1,0,0,0|2,0,0]=4 58 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 C01456 [0,1,1,0,0,0|1,0,1]=4 59 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 C18747 [0,1,1,0,0,0|2,0,0]=4 60 B12R1.1703 COC(=O)C1=CC=C(N)C=C1O C14170 [0,1,1,0,0,0|2,0,0]=4 61 B12R2.1 NCC1=CNC2=CC=CC=C12 C21601 [1,1,0,0,0,0|1,0,0]=3 62 B12R2.1 O=CC1=CNC2=C1C=CC=C2 C08493 [1,1,0,0,0,0|1,0,1]=4 63 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 C10910 [1,1,0,0,0,0|1,1,0]=4 64 B12R2.606 NC1=NC2=CC(Cl)=CC=C2O1 C13841 [1,1,0,0,0,0|2,0,0]=4 65 B12R2.606 OC1=NC2=C(C=CC(Cl)=C2)O1 C07931 [1,1,0,0,0,0|2,0,0]=4 66 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O C05377 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.7724 CC1=CC(O)=C2C=CC=CC2=C1O C07126 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.28480 CC1=CC2=CC=CC(O)=C2C(C)=N1 C12346 [0,1,0,0,0,1|1,0,0]=3 69 B14R2.28480 CC1=CC2=CC=CC(O)=C2C(O)=C1 C12344 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(N)=C2 C01386 [0,1,0,0,0,1|1,0,0]=3 71 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(O)=C2 C03081 [0,1,0,0,0,1|1,0,0]=3 72 B14R2.28472 CC1=CC2=C(N=C1O)C(O)=CC=C2 C06344 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.1129 CSC1=C(C=O)C2=C(C=CC=C2)N1 C11048 [0,2,0,0,0,0|1,0,1]=4 74 B12R2.24 CC1=CC=C2C=CC=CC2=C1 C14098 [0,0,1,1,0,0|1,0,1]=4 75 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C05851 [0,0,1,1,0,0|1,0,1]=4 76 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 C02274 [0,0,1,1,0,0|1,0,1]=4 77 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 C14082 [0,0,1,1,0,0|1,0,1]=4 78 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 C07114 [0,0,1,0,0,1|2,0,0]=4