0 B18R3.570036 CC1=CC2=C(C=C1)CC3=C(C2)C=C(C=C3)C T255173 [0,0,0,0,0,0|3,0,1]=4 1 B18R3.570036 CC1=CC2=CC3=C(C=CC(=C3)C)C=C2C=C1 T255114 [0,0,0,0,0,0|3,0,0]=3 2 B18R3.570036 NC1=CC2=NC3=C(C=CC(=C3)N)C=C2C=C1 S367710 [0,0,0,0,0,0|0,0,0]=0 3 B18R3.570036 NC1=CC=C2C=C3C=CC(=CC3=NC2=C1)N L204935 [0,0,0,0,0,0|0,0,0]=0 4 B18R3.570036 NC1=CC=C2C=C3C=CC(=CC3=NC2=C1)N PH006894 [0,0,0,0,0,0|0,0,0]=0 5 B17R3.3205 ClC1=CC=C2NC3=C(C=CC=C3)SC2=C1 PH000215 [1,0,0,0,0,0|3,0,0]=4 6 B17R3.3205 ClC1=CC=C2SC3=C(C=CC=C3)CC2=C1 PH000066 [1,0,0,0,0,0|3,0,0]=4 7 B17R3.3205 NC1=CC2=C(C=C1)SC3=CC=CC=C3N2 PH008006 [1,0,0,0,0,0|1,0,1]=3 8 B17R3.3205 NC1=CC2=C(C=C1)SC3=CC=CC=C3O2 PH007976 [1,0,0,0,0,0|2,0,0]=3 9 B17R3.3205 NC1=CC=C2OC3=C(C=CC=C3)OC2=C1 PH007244 [1,0,0,0,0,0|2,0,0]=3 10 B19R3.7787473 CC1=CC2=C(C=C1N)N=C3C=C(C=CC3=N2)O S406473 [0,1,0,0,0,0|2,0,0]=3 11 B17R3.30284 IC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)I R531200 [0,0,0,0,1,0|3,0,0]=4 12 B17R3.30284 NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N R426342 [0,0,0,0,1,0|1,0,0]=2 13 B17R3.31627 BrC1=CC2=C(C=C1)OC3=C2C=C(C=C3)Br S831654 [0,0,0,0,1,0|3,0,0]=4 14 B17R3.31627 BrC1=CC2=C(C=C1)SC3=C2C=C(C=C3)Br S818070 [0,0,0,0,1,0|3,0,0]=4 15 B17R3.31627 CC1=CC2=C(C=C1)NC3=C2C=C(C=C3)C UPL0029 [0,0,0,0,1,0|3,0,0]=4 16 B17R3.31627 ClC1=CC2=C(C=C1)OC3=C2C=C(C=C3)Cl S810037 [0,0,0,0,1,0|3,0,0]=4 17 B17R3.31627 ClC1=CC=C2NC3=C(C2=C1)C=C(C=C3)Cl S196266 [0,0,0,0,1,0|3,0,0]=4 18 B17R3.31627 ClC1=CC=C2NC3=C(C2=C1)C=C(C=C3)Cl S245755 [0,0,0,0,1,0|3,0,0]=4 19 B17R3.31627 IC1=CC2=C(C=C1)OC3=C2C=C(C=C3)I S841277 [0,0,0,0,1,0|3,0,0]=4 20 B17R3.31627 IC1=CC=C2CC3=C(C2=C1)C=C(C=C3)I S197114 [0,0,0,0,1,0|2,0,1]=4 21 B17R3.31627 NC1=CC2=C(C=C1)OC3=CC=C(C=C23)O PH007979 [0,0,0,0,1,0|2,0,0]=3 22 B16R2.33 NC1=CC=C(C=C1)N=C2C=CC(=[NH2+])C=C2 R324965 [1,0,1,0,0,0|1,0,1]=4 23 B16R2.33 NC1=CC=C(C=C1)N=C2C=CC(=[NH2+])C=C2 S944300 [1,0,1,0,0,0|1,0,1]=4 24 B16R2.1129 CC1=CC=CC=C1OC2=CC=C(C=C2)N CDS014396 [1,0,1,0,0,0|2,0,0]=4 25 B16R3.1720 C1=CC2=C(C=C1)OC3=C(N2)C=CC=C3 S839523 [2,0,0,0,0,0|1,0,1]=4 26 B16R3.1720 C1=CC2=C(C=C1)OC3=C(O2)C=CC=C3 CDS000031 [2,0,0,0,0,0|2,0,0]=4 27 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 28 B16R3.1720 C1=CC2=NC3=C(C=CC=C3)[S+]=C2C=C1 L162132 [2,0,0,0,0,0|1,0,0]=3 29 B16R3.1720 C1=CC=C2C=[N+]3C=CC=CC3=CC2=C1 T160393 [2,0,0,0,0,0|2,0,0]=4 30 B16R3.1720 C1=CC=C2N=C3C=CC=CC3=CC2=C1 S453390 [2,0,0,0,0,0|0,0,0]=2 31 B16R3.1720 C1=CC=C2NC3=CC=CC=C3CC2=C1 CDS020367 [2,0,0,0,0,0|0,0,2]=4 32 B16R3.1720 C1=CC=C2SC3=C(C=CC=C3)CC2=C1 PH000090 [2,0,0,0,0,0|1,0,1]=4 33 B16R3.1720 C1=CC=[N+]2C=C3C=CC=CC3=CC2=C1 S53792 [2,0,0,0,0,0|2,0,0]=4 34 B16R3.1720 C1=CC=[N+]2C=C3C=CC=CC3=CC2=C1 S696463 [2,0,0,0,0,0|2,0,0]=4 35 B18R2.9042 NC1=CC=C(C(=C1)Cl)C(=O)C2=CC=C(C=C2)Cl S651443 [0,1,1,0,0,0|2,0,0]=4 36 B18R3.3608 ClC1=CC2=CC3=C(C=CC=C3)C=C2C=C1Cl S864412 [1,1,0,0,0,0|2,0,0]=4 37 B18R3.3608 NC1=CC2=NC3=C(C=CC=C3)SC2=CC1=O R416177 [1,1,0,0,0,0|1,0,0]=3 38 B18R3.99697 CC1=CC2=C(C=C1)C(=O)C3=C(S2)C=CC=C3 S462136 [1,1,0,0,0,0|2,0,0]=4 39 B18R3.99697 CC1=CC2=C(C=C1)C(=O)C3=C([Se]2)C=CC=C3 S888338 [1,1,0,0,0,0|2,0,0]=4 40 B18R3.567779 CC1=CC2=CC3=CC=C(C=C3C=C2C=C1)Br T303461 [1,1,0,0,0,0|2,0,0]=4 41 B20R3.2800087 NC1=CC=C2CC3=C(C=C(C=C3)N)S(=O)(=O)C2=C1 PH011634 [0,2,0,0,0,0|1,0,1]=4 42 B16R2.2857 CC1=CC=C(C=C1)C2=CC=C(C=C2F)N CDS008729 [0,0,1,0,1,0|2,0,0]=4 43 B16R3.2583 ClC1=CC2=C(C=C1)OC3=C2C=CC=C3 S810061 [1,0,0,0,1,0|2,0,0]=4 44 B16R3.2583 IC1=CC2=C(C=C1)OC3=C2C=CC=C3 S815896 [1,0,0,0,1,0|2,0,0]=4 45 B16R3.2583 NC1=CC=C2CC3=C(C2=C1)C=CC=C3 CDS021486 [1,0,0,0,1,0|0,0,1]=3 46 B16R3.2583 NC1=CC=C2NC3=CC=CC=C3C2=C1 PH006852 [1,0,0,0,1,0|1,0,0]=3 47 B16R3.2583 OC1=CC2=C(C=C1)OC3=C2C=CC=C3 PH010445 [1,0,0,0,1,0|2,0,0]=4 48 B16R3.2583 OC1=CC=C2SC3=CC=CC=C3C2=C1 PH002174 [1,0,0,0,1,0|2,0,0]=4 49 B16R3.2637 FC1=CC2=C(C=C1)C3=C(O2)C=CC=C3 S832707 [1,0,0,0,1,0|2,0,0]=4 50 B16R3.2637 FC1=CC=C2C(=C1)CC3=C2C=CC=C3 S754315 [1,0,0,0,1,0|2,0,0]=4 51 B16R3.2637 NC1=CC2=C(C=C1)C3=C(O2)C=CC=C3 S815446 [1,0,0,0,1,0|1,0,0]=3 52 B16R3.2637 NC1=CC=C2C(=C1)OC3=C2C=CC=C3 PH009763 [1,0,0,0,1,0|1,0,0]=3