0 B10R1.11 CCCC(=O)C1=CC=CS1 XJ2839 [1,0,0,0,0,0|0,1,1]=3 1 B10R1.11 CCOC(=O)C1=CC=CN1 LX2718 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.11 CCOC(=O)C1=CC=CS1 HL2383 [1,0,0,0,0,0|1,1,1]=4 3 B10R1.11 N#CCC(=O)C1=CC=CN1 RT14418 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.11 O=C(CCCl)C1=CC=CS1 YH65807 [1,0,0,0,0,0|1,1,1]=4 5 B10R1.66 CC(=O)OCC1=CC=CO1 LT5083 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.66 CC(=O)SCC1=CC=CO1 LT5373 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.66 CC(=O)\C=C/C1=CC=CO1 HL3203 [1,0,0,0,0,0|0,0,1]=2 8 B10R1.66 CC(=O)\C=C\C1=CC=CS1 XJ1445 [1,0,0,0,0,0|0,1,1]=3 9 B10R1.66 O=C(O)CCC1=CC=CS1 LQ2957 [1,0,0,0,0,0|1,1,1]=4 10 B10R1.66 O=C(O)\C=C\C1=CC=CO1 YH06064 [1,0,0,0,0,0|1,0,1]=3 11 B10R0.32 CCOC(=O)C(=O)CC(C)=O LQ1173 [0,0,1,0,0,0|1,0,2]=4 12 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 LX2642 [0,0,0,0,0,1|2,1,0]=4 13 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 LQ2684 [0,0,0,0,0,1|1,1,0]=3 14 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,0,0,0,0,1|1,0,0]=2 15 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 CJ3357 [0,0,0,0,0,1|2,0,1]=4 16 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 LQ2460 [0,0,0,0,0,1|2,0,0]=3 17 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 HL0179 [0,0,0,0,0,1|3,0,0]=4 18 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 HL0178 [0,0,0,0,0,1|3,0,0]=4 19 B9R0.4 C=CCOC(=O)CC(C)=O XJ1579 [1,0,1,0,0,0|0,0,1]=3 20 B9R1.11 CCC(=O)C1=CC=CN1 JZ4355 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.11 CCC(=O)C1=CC=CO1 JZ2245 [2,0,0,0,0,0|0,0,0]=2 22 B9R1.11 CCC(=O)C1=CC=CS1 JZ4817 [2,0,0,0,0,0|0,1,0]=3 23 B9R1.11 CCC(=O)C1=CC=CS1 LT0591 [2,0,0,0,0,0|0,1,0]=3 24 B9R1.11 COC(=O)C1=CC=CO1 LX2989 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.11 CSC(=O)C1=CC=CO1 JZ4812 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.11 NNC(=O)C1=CC=CO1 XJ2474 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.11 O=C(CCl)C1=CC=CS1 LT0548 [2,0,0,0,0,0|1,1,0]=4 28 B9R1.12 O=CSCC1=CC=CO1 LT5479 [2,0,0,0,0,0|1,0,1]=4 29 B9R1.12 O=C\C=C\C1=CC=CO1 JZ1034 [2,0,0,0,0,0|0,0,1]=3 30 B11R1.25 CCC(=O)OCC1=CC=CO1 XJ1137 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.25 COC(=O)CCC1=CC=CN1 RT6367 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.25 COC(=O)CCC1=CC=CS1 RT13132 [1,1,0,0,0,0|0,1,1]=4 33 B13R1.129 O=C(O)CNC(=O)C1=CC=C(Cl)S1 RT14977 [0,1,0,0,0,1|1,1,0]=4 34 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 LX2407 [0,1,0,0,0,1|1,0,0]=3 35 B13R1.33 CCOC(=O)CC(=O)C1=CC=CS1 JZ4799 [0,2,0,0,0,0|0,1,0]=3 36 B13R1.33 CCOC(=O)CC(=O)C1=CSC=C1 LX3190 [0,2,0,0,0,0|2,0,0]=4 37 B11R1.156 CC(=O)C1=C(F)C=CC=C1O XJ6632 [0,0,1,1,0,0|1,0,1]=4 38 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 LQ4107 [0,0,1,1,0,0|2,0,0]=4 39 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 LT3028 [0,0,1,1,0,0|2,0,0]=4 40 B11R1.86 CC(=O)CC1=CC=CC=C1Br RT11899 [0,0,1,1,0,0|2,0,0]=4 41 B11R1.86 O=C([O-])CC1=CC=CC=C1O JZ0260 [0,0,1,1,0,0|2,0,0]=4 42 B9R1.13 CC(=O)CC1=CC=CN1 RT14091 [1,0,0,0,1,0|1,0,0]=3 43 B9R1.13 NC(=O)CC1=CC=CS1 XJ2712 [1,0,0,0,1,0|1,1,0]=4 44 B9R1.13 O=C(Cl)CC1=CC=CS1 LT0592 [1,0,0,0,1,0|1,1,0]=4 45 B9R1.13 O=C(Cl)CC1=CC=CS1 LT5114 [1,0,0,0,1,0|1,1,0]=4 46 B9R1.13 O=C(O)CC1=CC=CS1 LT6659 [1,0,0,0,1,0|1,1,0]=4 47 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [1,0,0,0,0,1|2,0,0]=4 48 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [1,0,0,0,0,1|1,0,1]=4 49 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 JZ3849 [0,0,0,0,1,1|1,0,0]=3 50 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 XJ1125 [0,0,0,0,1,1|2,0,0]=4 51 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 XJ0998 [0,0,0,0,0,2|1,0,0]=3 52 B13R1.45 CC(=O)NNC(=O)C1=CC=NC=C1 RT3147 [0,0,0,0,0,2|2,0,0]=4 53 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 XJ2107 [0,0,0,0,0,2|1,0,0]=3 54 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 RT3513 [0,0,0,0,0,2|2,0,0]=4 55 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 RT15426 [0,0,0,0,0,2|2,0,0]=4 56 B13R1.45 O=C(O)CSC(=O)C1=CC=CC=C1 YH65347 [0,0,0,0,0,2|2,0,0]=4 57 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 LX2424 [0,0,0,0,0,2|2,0,0]=4