0 B14R1.623 CCOC(=O)C1=CC=CC=C1N(C)C D17672 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.464 CCOC(=O)C1=C(OC)C=CC=C1 E8208 [1,0,0,0,0,0|2,0,0]=3 2 B13R1.547 O=C(O)C1=C(C(=O)CBr)C=CC=C1 B10775 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.572 CCCOC1=CC=CC=C1C(=O)O P11773 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.572 O=C(O)C1=C(OCCO)C=CC=C1 H14862 [1,0,0,0,0,0|3,0,0]=4 5 B15R1.811 CCOC(=O)C1=CC=CC=C1S(N)(=O)=O C1053 [0,1,0,0,0,0|1,0,1]=3 6 B15R1.811 CCOC(=O)C1=CC=CC=C1S(N)(=O)=O C1053 [0,1,0,0,0,0|1,0,1]=3 7 B15R1.1343 CCN(O)C(=O)C1=C(C(N)=O)C=CC=C1 E9377 [0,1,0,0,0,0|2,0,0]=3 8 B15R1.810 CCOC(=O)C1=C(CC(C)=O)C=CC=C1 O15892 [0,0,0,0,0,1|1,0,0]=2 9 B12R1.77 CNC1=CC=CC=C1C(=O)OC D16570 [2,0,0,0,0,0|2,0,0]=4 10 B12R1.77 COC(=O)C1=C(CO)C=CC=C1 H14915 [2,0,0,0,0,0|0,0,1]=3 11 B12R1.77 COC(=O)C1=CC=CC=C1CBr M4485 [2,0,0,0,0,0|1,0,1]=4 12 B12R1.77 COC(=O)C1=CC=CC=C1CBr M4485 [2,0,0,0,0,0|1,0,1]=4 13 B12R1.77 COC(=O)C1=CC=CC=C1CN C9100 [2,0,0,0,0,0|1,0,1]=4 14 B12R1.77 COC(=O)C1=CC=CC=C1[N+]#N M16629 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 H7637 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 A15138 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.308 CCOC(=O)C1=C(O)C=CN=C1 H14849 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 H15787 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl E2715 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.308 CCOC(=O)C1=CC=CN=C1N A14508 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.308 CCOC(=O)C1=CC=NC=C1O E16239 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.308 CCOC(=O)C1=NC=CC=C1N A15062 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=N1 A7668 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.261 CC(=O)C1=CC=CC=C1B(O)O A18006 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.261 O=C(O)C1=C(C(=O)O)C=NC=C1 P7737 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.261 O=C(O)C1=CC=CC=C1B(O)O C3818 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O P1315 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.261 O=C(O)C1=NC=CN=C1C(=O)O P0068 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.283 CCOC1=C(B(O)O)C=CC=C1 E3976 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.283 CCOC1=C(C(=N)N)C=CC=C1 E9059 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.283 CCOC1=C(C(=N)N)C=CC=C1 E9059 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.283 CCOC1=C(C(=O)O)C=CC=C1 E7704 [2,0,0,0,0,0|0,0,0]=2 33 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 E7636 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl E4438 [2,0,0,0,0,0|1,0,0]=3 35 B14R1.263 CCOC(=O)C1=CC=CC=C1CC#N C8571 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.707 COC(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-] M9704 [1,1,0,0,0,0|1,0,1]=4 37 B14R1.707 O=C(O)C1=CC=C(Cl)C=C1C(=O)O[Na] C16513 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.745 COC(=O)C1=CC=CC=C1S(N)(=O)=O C1054 [1,1,0,0,0,0|1,0,1]=4 39 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(F)=C1 F15738 [0,0,1,1,0,0|2,0,0]=4 40 B14R2.215 O=C1C2=CC=CC=C2C(=O)N1CO H16581 [1,0,0,1,0,0|2,0,0]=4 41 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O M5425 [1,0,0,1,0,0|1,0,1]=4 42 B14R2.31359 O=C(O)C1=CC=CC2=C1CCCC2 T8066 [1,0,0,1,0,0|1,0,1]=4 43 B14R2.31359 O=C(O)C1=CC=CC2=C1CCCC2 T8066 [1,0,0,1,0,0|1,0,1]=4 44 B14R1.744 CCC(=O)C1=CC=CC=C1OC(C)=O A16061 [1,0,0,0,0,1|1,0,0]=3 45 B14R1.617 CCOC(=O)C1=CN=CC(C(=O)O)=C1 P17852 [0,0,0,0,1,1|1,0,0]=3