0 B18R3.567779 CC1=CC2=C(C=C1)CC3=C(C2)C=CC(=C3)C T255505 [0,0,0,0,0,0|2,0,0]=2 1 B18R3.567779 CC1=CC2=CC3=CC=C(C=C3C=C2C=C1)Br T303461 [0,0,0,0,0,0|3,0,0]=3 2 B17R3.3205 ClC1=CC=C2NC3=C(C=CC=C3)SC2=C1 PH000215 [1,0,0,0,0,0|2,0,0]=3 3 B17R3.3205 ClC1=CC=C2SC3=C(C=CC=C3)CC2=C1 PH000066 [1,0,0,0,0,0|2,0,0]=3 4 B17R3.3205 NC1=CC2=C(C=C1)SC3=CC=CC=C3N2 PH008006 [1,0,0,0,0,0|2,0,0]=3 5 B17R3.3205 NC1=CC2=C(C=C1)SC3=CC=CC=C3O2 PH007976 [1,0,0,0,0,0|1,1,0]=3 6 B17R3.3205 NC1=CC=C2OC3=C(C=CC=C3)OC2=C1 PH007244 [1,0,0,0,0,0|1,2,0]=4 7 B19R3.1556392 COC1=CC2=C(C=C1)NC3=C(S2)C=CC(=C3)Cl S935123 [0,1,0,0,0,0|2,0,0]=3 8 B19R3.7787473 CC1=CC2=C(C=C1C)SC3=C(N2)C=C(C=C3)Cl PH006256 [0,1,0,0,0,0|2,0,0]=3 9 B19R3.7787473 CC1=CC2=C(C=C1N)N=C3C=C(C=CC3=N2)O S406473 [0,1,0,0,0,0|3,0,0]=4 10 B17R2.467 CC1=CC=C(C=C1)CC2=C(C=CC(=C2)C)C T332909 [0,0,1,0,0,0|2,0,0]=3 11 B17R2.41853 CC1=CC(=CC=C1)SC2=CC=C(C=C2N)N S828998 [0,0,1,0,0,0|2,0,0]=3 12 B17R2.41853 CC1=CC=C(C(=C1)C)CC2=CC=CC(=C2)C T333077 [0,0,1,0,0,0|2,0,0]=3 13 B16R2.131 CC1=CC(=CC=C1)SC2=CC=C(C=C2)N S828963 [1,0,1,0,0,0|1,0,0]=3 14 B16R2.317 CC1=CC(=C(C=C1)C)CC2=CC=CC=C2 T332933 [1,0,1,0,0,0|2,0,0]=4 15 B16R2.317 CC1=CC(=C(C=C1)O)CC2=CC=CC=C2 S406694 [1,0,1,0,0,0|1,1,0]=4 16 B16R2.1129 CC1=CC=C(C=C1)CC2=C(C=CC=C2)C T332941 [1,0,1,0,0,0|2,0,0]=4 17 B16R2.1129 CC1=CC=C(C=C1)CC2=C(C=CC=C2)O S646350 [1,0,1,0,0,0|1,1,0]=4 18 B16R2.1129 CC1=CC=C(C=C1)OC2=CC=CC=C2O JRD1285 [1,0,1,0,0,0|0,2,0]=4 19 B16R2.1129 CC1=CC=C(C=C1)SC2=CC=CC=C2N S450324 [1,0,1,0,0,0|1,0,0]=3 20 B16R2.312 CC1=CC(=C(C=C1)SC2=CC=CC=C2)C T332666 [1,0,1,0,0,0|1,0,0]=3 21 B16R3.1720 C1=CC2=C(C=C1)OC3=C(N2)C=CC=C3 S839523 [2,0,0,0,0,0|1,1,0]=4 22 B16R3.1720 C1=CC2=C(C=C1)OC3=C(O2)C=CC=C3 CDS000031 [2,0,0,0,0,0|0,2,0]=4 23 B16R3.1720 C1=CC2=C(C=C1)[Hg]C3=C([Hg]2)C=CC=C3 S829404 [2,0,0,0,0,0|2,0,0]=4 24 B16R3.1720 C1=CC2=NC3=C(C=CC=C3)[S+]=C2C=C1 L162132 [2,0,0,0,0,0|1,0,1]=4 25 B16R3.1720 C1=CC=C2N=C3C=CC=CC3=CC2=C1 S453390 [2,0,0,0,0,0|2,0,0]=4 26 B16R3.1720 C1=CC=C2NC3=CC=CC=C3CC2=C1 CDS020367 [2,0,0,0,0,0|2,0,0]=4 27 B16R3.1720 C1=CC=C2SC3=C(C=CC=C3)CC2=C1 PH000090 [2,0,0,0,0,0|1,0,0]=3 28 B16R3.1720 N1C2=NC=CC=C2SC3=C1C=CC=C3 S462942 [2,0,0,0,0,0|2,0,0]=4 29 B18R3.3608 NC1=CC2=NC3=C(C=CC=C3)SC2=CC1=O R416177 [1,1,0,0,0,0|2,0,0]=4 30 B18R3.99697 CC1=CC2=C(C=C1)C(=O)C3=C(S2)C=CC=C3 S462136 [1,1,0,0,0,0|1,0,0]=3 31 B18R3.99697 CC1=CC2=C(C=C1)C(=O)C3=C([Se]2)C=CC=C3 S888338 [1,1,0,0,0,0|1,1,0]=4 32 B18R3.570036 CC1=CC2=C(C=C1)CC3=C(C2)C=C(C=C3)C T255173 [1,1,0,0,0,0|2,0,0]=4 33 B18R3.570036 CC1=CC2=CC3=C(C=CC(=C3)C)C=C2C=C1 T255114 [1,1,0,0,0,0|2,0,0]=4 34 B16R3.2583 ClC1=CC2=C(C=C1)OC3=C2C=CC=C3 S810061 [1,0,0,0,1,0|1,1,0]=4 35 B16R3.2583 IC1=CC2=C(C=C1)OC3=C2C=CC=C3 S815896 [1,0,0,0,1,0|1,1,0]=4 36 B16R3.2583 NC1=CC=C2CC3=C(C2=C1)C=CC=C3 CDS021486 [1,0,0,0,1,0|2,0,0]=4 37 B16R3.2583 NC1=CC=C2NC3=CC=CC=C3C2=C1 PH006852 [1,0,0,0,1,0|2,0,0]=4 38 B16R3.2583 OC1=CC2=C(C=C1)OC3=C2C=CC=C3 PH010445 [1,0,0,0,1,0|1,1,0]=4 39 B16R3.2583 OC1=CC=C2SC3=CC=CC=C3C2=C1 PH002174 [1,0,0,0,1,0|1,0,0]=3 40 B16R3.2637 FC1=CC2=C(C=C1)C3=C(O2)C=CC=C3 S832707 [1,0,0,0,1,0|1,1,0]=4 41 B16R3.2637 FC1=CC=C2C(=C1)CC3=C2C=CC=C3 S754315 [1,0,0,0,1,0|2,0,0]=4 42 B16R3.2637 N1C2=C(C=CC=C2)C3=C1C=[N+](C=C3)C S425974 [1,0,0,0,1,0|2,0,0]=4 43 B16R3.2637 NC1=CC2=C(C=C1)C3=C(O2)C=CC=C3 S815446 [1,0,0,0,1,0|1,1,0]=4 44 B16R3.2637 NC1=CC=C2C(=C1)OC3=C2C=CC=C3 PH009763 [1,0,0,0,1,0|1,1,0]=4 45 B18R2.9254 CC1=CC=C(C=C1)/C=N/C2=C(C=CC(=C2)C)C S604224 [0,0,1,0,0,1|2,0,0]=4 46 B18R2.9254 CC1=CC=C(C=C1)N=NC2=C(C=CC(=C2)C)N S954136 [0,0,1,0,0,1|2,0,0]=4 47 B18R2.9254 CC1=CC=C(C=C1)NCC2=CC(=CC=C2N)C PH009196 [0,0,1,0,0,1|2,0,0]=4