0 B14R2.510 [N-]=[N+]=N[IH2]1OC(=O)C2=C1C=CC=C2 A31890 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.2931 CO[IH2]1OC(=O)C2=C1C=CC=C2 M28000 [1,0,0,0,0,0|2,0,0]=3 2 B13R2.2931 N#C[IH2]1OC(=O)C2=C1C=CC=C2 X7072 [1,0,0,0,0,0|2,0,1]=4 3 B15R2.53147 CC(=O)O[IH2]1OC(=O)C2=C1C=CC=C2 A28001 [0,1,0,0,0,0|2,0,1]=4 4 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 H56071 [0,0,1,0,0,0|1,0,2]=4 5 B13R1.464 CCOC(=O)C1=C(C=O)C=CC=C1 E52451 [0,0,1,0,0,0|1,0,1]=3 6 B13R1.572 CCCOC1=C(C(=O)O)C=CC=C1 P39607 [0,0,1,0,0,0|1,0,1]=3 7 B15R3.14759 O=C1CC2=C3C(=CC=C2)C=CC=C13 A56471 [0,0,0,1,0,0|1,0,2]=4 8 B15R2.4382 CCCC1=CC=C(N)C2=CC=CC=C12 P57413 [0,0,0,0,0,1|2,0,1]=4 9 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 M38609 [1,0,1,0,0,0|1,0,1]=4 10 B12R1.121 CCCOC1=C(C=O)C=CC=C1 P62564 [1,0,1,0,0,0|1,0,1]=4 11 B12R1.283 CCOC1=C(C(=O)O)C=CN=C1 E49306 [1,0,1,0,0,0|2,0,0]=4 12 B12R1.283 CCOC1=CC=CN=C1C(=O)O E49299 [1,0,1,0,0,0|2,0,0]=4 13 B12R1.283 COCC1=C(C(=O)O)C=CC=C1 M49909 [1,0,1,0,0,0|1,0,1]=4 14 B12R1.283 NCCC1=C(C(=O)O)C=CC=C1 A64045 [1,0,1,0,0,0|1,0,1]=4 15 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [2,0,0,0,0,0|2,0,0]=4 16 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 I36660 [2,0,0,0,0,0|2,0,0]=4 17 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 P15540 [2,0,0,0,0,0|2,0,0]=4 18 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 P15539 [2,0,0,0,0,0|2,0,0]=4 19 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 B47761 [2,0,0,0,0,0|1,0,1]=4 20 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [2,0,0,0,0,0|1,0,1]=4 21 B12R2.2028 O=C1O[IH2](Cl)C2=C1C=CC=C2 C15861 [2,0,0,0,0,0|2,0,0]=4 22 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 H31866 [2,0,0,0,0,0|2,0,0]=4 23 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 P60753 [2,0,0,0,0,0|2,0,0]=4 24 B14R1.38 O=C(OCCCCI)C1=CC=CC=C1 I1043 [0,1,1,0,0,0|0,0,2]=4 25 B14R1.3302 COC(=O)CC1=C(C(=O)O)C=CC=C1 M52479 [0,1,1,0,0,0|1,0,1]=4 26 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 A21724 [1,1,0,0,0,0|2,0,0]=4 27 B16R2.33887 COC(=O)C1=CC2=C(C=CC=C2)C(=O)N1 M24941 [0,1,0,0,0,1|2,0,0]=4 28 B16R2.33951 COC(=O)C1=CC(=O)NC2=C1C=CC=C2 M12292 [0,1,0,0,0,1|2,0,0]=4 29 B16R2.33951 COC(=O)C1=CC(=O)NC2=C1C=CC=C2 M55394 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.8 OCC1=COC(C2=CC=CC=C2)=N1 P63060 [0,0,1,1,0,0|2,0,0]=4 31 B14R2.7724 CN1C=C(Br)C2=C(C=CC=C2)C1=O B53780 [0,0,1,1,0,0|2,0,0]=4 32 B14R2.4 CN1C=CC2=C(C(=O)O)C=CC=C21 M28228 [0,0,1,1,0,0|1,0,0]=3 33 B14R2.4 CN1C=CC2=C(C(=O)O)C=CN=C21 M0490 [0,0,1,1,0,0|2,0,0]=4 34 B14R2.4 CN1N=CC2=C(C(=O)O)C=CC=C21 M10356 [0,0,1,1,0,0|2,0,0]=4 35 B14R2.31359 O=C(O)C1=C2CCCCC2=CC=C1 T54564 [0,0,1,1,0,0|0,0,2]=4 36 B14R2.31359 O=C(O)C1=C2CNCCC2=CC=C1 T52579 [0,0,1,1,0,0|1,0,1]=4 37 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 N69292 [0,0,1,1,0,0|0,0,2]=4 38 B14R2.31359 O=C(O)C1=CC=CC2=CN=CC=C21 Q3903 [0,0,1,1,0,0|1,0,1]=4 39 B14R2.31359 O=C(O)C1=CC=CC2=NC=CC=C12 Q4688 [0,0,1,1,0,0|1,0,1]=4 40 B14R2.1146 COC1=CC(=O)NC2=C1C=CC=C2 M53922 [1,0,0,0,0,1|2,0,0]=4 41 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 M62171 [1,0,0,0,0,1|2,0,0]=4 42 B14R2.1146 O=C1C=C(CBr)C2=C(C=CC=C2)N1 B67083 [1,0,0,0,0,1|2,0,0]=4