0 B14R2.11645 CCC1=C2NC(=O)C(=O)C2=CC=C1 LL1453 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.581 C=CC1=CC=CC2=C1CC(=O)N2 RT8280 [1,0,0,0,0,0|2,0,1]=4 2 B13R2.581 CCC1=CC=CC2=C1CC(=O)N2 RT8051 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.581 COC1=C2N=C(N)SC2=CC=C1 JZ1133 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.581 COC1=C2NC(=O)SC2=CC=C1 JZ1132 [1,0,0,0,0,0|1,0,0]=2 5 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 YH25224 [1,0,0,0,0,0|1,0,1]=3 6 B13R2.4825 O=C1NC2=C(C=CC=C2Br)C1=O XJ4588 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O LT3232 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O XJ0642 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.20937 COC1=C2NC(=O)OC(=O)C2=CC=C1 YH56153 [0,0,0,0,0,1|1,0,1]=3 10 B12R1.440 COC1=C(C)C(C(=O)O)=CC=C1 CJ2928 [1,0,1,0,0,0|2,0,0]=4 11 B12R1.440 COC1=C(N)C(C(=O)O)=CC=C1 RT3245 [1,0,1,0,0,0|1,0,0]=3 12 B12R1.440 COC1=C(N)C(C(C)=O)=CC=C1 YH01088 [1,0,1,0,0,0|2,0,0]=4 13 B12R1.440 COC1=C(N)C(C(N)=O)=CC=C1 RT5984 [1,0,1,0,0,0|2,0,0]=4 14 B12R1.440 COC1=CC=CC(C(=O)O)=C1F YH33457 [1,0,1,0,0,0|2,0,0]=4 15 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 YH05030 [1,0,1,0,0,0|2,0,0]=4 16 B12R1.75 COC1=CC=CC=C1CC(=O)O HL1217 [1,0,1,0,0,0|1,0,0]=3 17 B12R1.75 COC1=CC=CC=C1NC(C)=O HL1218 [1,0,1,0,0,0|1,0,0]=3 18 B12R1.371 CC1=CC=CC=C1NC(=O)CCl YH66095 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.371 CC1=CC=CC=C1NC(=S)NN HL0176 [1,0,1,0,0,0|1,1,0]=4 20 B12R1.225 O=C(O)C(O)C1=CC=CC(O)=C1 RT6094 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.438 COC1=CC(CC(=O)O)=CC=C1 XJ1952 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.438 CSC1=CC(NC(C)=O)=CC=C1 LQ2202 [1,0,1,0,0,0|1,1,0]=4 23 B12R1.1879 COC1=CC=CC(OC)=C1C=O LT0193 [1,0,1,0,0,0|2,0,0]=4 24 B12R2.315 COC1=C2C=CNC2=CC=C1 JZ2637 [2,0,0,0,0,0|1,0,0]=3 25 B12R2.315 COC1=C2C=CNC2=NC=C1 YH28988 [2,0,0,0,0,0|2,0,0]=4 26 B12R2.315 COC1=C2CCNC2=CC=C1 YH17298 [2,0,0,0,0,0|1,0,1]=4 27 B12R2.315 COC1=C2NC=CC2=CC=C1 JZ2244 [2,0,0,0,0,0|1,0,0]=3 28 B12R2.202 CC1=C2N=C([S-])NC2=CC=C1 HL4159 [2,0,0,0,0,0|0,1,1]=4 29 B12R2.202 CC1=CC2=C(C=CC=C2O)N1 LT5867 [2,0,0,0,0,0|2,0,0]=4 30 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 RT2017 [2,0,0,0,0,0|2,0,0]=4 31 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 XJ6693 [2,0,0,0,0,0|2,0,0]=4 32 B12R2.202 O=C1CC2=C(C=CC=C2I)N1 YH65719 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 XJ4615 [2,0,0,0,0,0|2,0,0]=4 34 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 HL4002 [2,0,0,0,0,0|2,0,0]=4 35 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 JZ5699 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 XJ6214 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.18 CC1C(=O)NC2=CC=CC=C21 LQ1788 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.18 CN1C(=O)CC2=CC=CC=C21 YH10239 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.18 O=C1NC2=CC=CC=C2C1=O JZ1575 [2,0,0,0,0,0|1,0,1]=4 40 B14R1.41 COC1=CC(C(O)C(=O)O)=CC=C1O LQ0006 [0,1,1,0,0,0|2,0,0]=4 41 B14R2.535 O=C1CC2=C(CCBr)C=CC=C2N1 RT8281 [1,1,0,0,0,0|2,0,0]=4 42 B14R2.535 O=C1CC2=C(CCO)C=CC=C2N1 CJ2779 [1,1,0,0,0,0|2,0,0]=4 43 B14R2.11690 COC1=CC=CC2=C1C(=O)C(=O)N2 YH66278 [1,1,0,0,0,0|1,0,0]=3 44 B14R2.7970 CC1=CC=CC2=C1NC(=O)C2(C)C YH43502 [1,1,0,0,0,0|2,0,0]=4 45 B16R2.172725 COC(=O)C1=CC=CC2=C1NC(=O)C2=O HL3146 [0,2,0,0,0,0|1,0,1]=4 46 B12R1.77 COC1=CC=CC=C1C(=O)CBr LT0285 [0,0,1,0,1,0|2,0,0]=4 47 B12R1.77 COC1=CC=CC=C1C(=O)NN XJ3327 [0,0,1,0,1,0|1,0,0]=3 48 B14R2.8045 O=C1NC2=C(O)C=CC=C2C(=O)O1 YH65691 [1,0,0,0,0,1|1,0,1]=4