0 B18R3.31677 ClC1=CC(=CC=C1)C2=NC3=C(N2)C=CC=C3 R746010 [1,0,0,0,0,0|2,0,0]=3 1 B18R3.31677 N1C(=CC2=C1C=CC=C2)C3=C[N+](=CC=C3)C S309079 [1,0,0,0,0,0|2,0,1]=4 2 B18R3.31677 N1C(=NC2=C1C=CC=C2)C3=CC(=CC=C3)Br S927643 [1,0,0,0,0,0|2,0,0]=3 3 B18R3.31677 NC1=CC(=CC=C1)C2=NC3=C(N2)C=CC=C3 R702579 [1,0,0,0,0,0|2,0,0]=3 4 B18R3.31677 NC1=CC(=CC=C1)C2=NC3=C(S2)C=CC=C3 R702560 [1,0,0,0,0,0|1,1,0]=3 5 B20R3.2020708 OC1=C(C=C(C=C1C2=NC3=C(N2)C=CC=C3)Cl)Cl R543500 [0,1,0,0,0,0|3,0,0]=4 6 B18R2.284623 CC1=CC(=CC(=C1)/N=C/C2=CC=CC=C2Cl)C S635278 [0,0,1,0,0,0|3,0,0]=4 7 B18R2.284623 CC1=CC(=CC(=C1)/N=C/C2=CC=CC=C2O)C S619426 [0,0,1,0,0,0|2,0,0]=3 8 B18R3.31448 CC1=CC(=NN1C2=NC3=C(S2)C=CC=C3)C R663808 [0,0,0,0,1,0|2,1,0]=4 9 B17R2.3212 CC1=CC(=[O+]C(=C1)/C=C\C2=CC=CC=C2)C S200328 [1,0,1,0,0,0|2,0,0]=4 10 B17R2.5273 CC1=CC(=CC=C1)C(=O)NC2=CC=CC=C2 S623873 [1,0,1,0,0,0|0,0,2]=4 11 B17R2.41893 CC1=CC=CC(=C1)NCC2=CC=CC=C2O S516074 [1,0,1,0,0,0|2,0,0]=4 12 B17R3.8708 C1=CC=C(C=C1)C2=CC3=C(O2)C=CC=C3 S49779 [2,0,0,0,0,0|1,0,0]=3 13 B17R3.8708 C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2 PH006819 [2,0,0,0,0,0|2,0,0]=4 14 B17R3.8708 C1=CC=C(C=C1)C2=NC3=C(O2)C=CN=C3 PH009007 [2,0,0,0,0,0|1,0,0]=3 15 B17R3.8708 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 S762121 [2,0,0,0,0,0|1,0,0]=3 16 B17R3.8708 C1=CN=CC(=C1)C2=NC3=C([Se]2)C=CC=C3 S11909 [2,0,0,0,0,0|1,1,0]=4 17 B19R2.97883 OC1=C(C=CC=C1)/N=C/C2=C(C(=CC(=C2)Br)Br)O R535184 [0,1,1,0,0,0|2,0,0]=4 18 B19R2.97883 OC1=C(C=CC=C1)/N=C/C2=C(C(=CC(=C2)Cl)Cl)O R535966 [0,1,1,0,0,0|2,0,0]=4 19 B19R2.318031 COC1=CC=CC=C1/C=N/C2=CC(=CC(=C2)C)C S635723 [0,1,1,0,0,0|2,0,0]=4 20 B19R2.506471 CC1=CC(=CC(=C1)/N=C/C2=C(C=CC(=C2)Br)O)C R534684 [0,1,1,0,0,0|2,0,0]=4 21 B19R3.3937 CC1=CC(=CC=C1)C2=NC3=C(O2)C=C(C=C3)N OTV000692 [1,1,0,0,0,0|0,0,0]=2 22 B19R3.3937 CC1=CC2=C(C=C1)N=C(O2)C3=CC=CC(=C3)N R702625 [1,1,0,0,0,0|1,0,0]=3 23 B19R3.3937 CC1=CC2=C(C=C1)OC(=N2)C3=CC=CC(=C3)N R702617 [1,1,0,0,0,0|1,0,0]=3 24 B19R3.3937 NC1=CC(=CC=C1)C2=NC3=C(O2)C=CC(=C3)Cl R702749 [1,1,0,0,0,0|1,0,0]=3 25 B19R3.3937 NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC(=C3)Br R702838 [1,1,0,0,0,0|1,0,0]=3 26 B19R3.3937 NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC(=C3)Cl R702781 [1,1,0,0,0,0|1,0,0]=3 27 B19R3.3937 NC1=CC=C2N=C(OC2=C1)C3=CC=CC(=C3)Cl OTV000411 [1,1,0,0,0,0|1,0,0]=3 28 B19R3.3937 NC1=CC=C2OC(=NC2=C1)C3=CC(=CC=C3)I TMT00135 [1,1,0,0,0,0|1,0,0]=3 29 B19R3.4334 NC1=CC=C(C(=C1)C2=NC3=C(O2)C=CC=C3)Cl R702676 [1,1,0,0,0,0|1,0,0]=3 30 B19R3.4334 NC1=CC=C(C(=C1)C2=NC3=C(S2)C=CC=C3)Cl R702609 [1,1,0,0,0,0|1,1,0]=4 31 B19R3.25304 COC1=CC=CC(=C1)C2=NC3=C(N2)C=CC=C3 T135623 [1,1,0,0,0,0|1,0,0]=3 32 B19R3.25304 N#CC1=CC=CC(=C1)C2=NC3=CC=CC=C3N2 BOG00193 [1,1,0,0,0,0|1,0,1]=4 33 B19R3.54582 CC1=C(C=CC=C1C2=NC3=CC=CC=C3S2)N TMT00098 [1,1,0,0,0,0|1,1,0]=4 34 B19R3.54582 CC1=CC=CC(=C1O)C2=NC3=C(S2)C=CC=C3 TMT00296 [1,1,0,0,0,0|0,1,0]=3 35 B19R3.240558 CC1=CC=C(C=C1N)C2=NC3=C(O2)C=CC=C3 R702668 [1,1,0,0,0,0|1,0,0]=3 36 B19R3.240558 ClC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)Cl S735582 [1,1,0,0,0,0|2,0,0]=4 37 B19R3.240558 NC1=CC(=CC=C1Cl)C2=NC3=C(S2)C=CC=C3 R702595 [1,1,0,0,0,0|1,1,0]=4 38 B21R3.140874 CC1=CC(=CC(=C1)N2N=NC3=C(C2=O)C=CC=C3)C S545643 [0,1,0,0,0,1|2,0,0]=4 39 B17R2.3218 CC1=CC(=CC(=C1)C(=O)C2=CC=CC=C2)C S55809 [0,0,1,0,1,0|0,0,1]=3 40 B17R2.3218 CC1=CC(=CC(=C1)C(C)C2=CC=CC=C2)C S685755 [0,0,1,0,1,0|1,0,1]=4 41 B19R2.4107 CC1=CC(=CC(=C1)NC(=O)CC2=CC=CC=C2)C R536814 [0,0,1,0,0,1|1,0,1]=4 42 B19R2.4107 CC1=CC(=CC(=C1)NC(=O)OC2=CC=CC=C2)C S668036 [0,0,1,0,0,1|1,0,0]=3 43 B19R3.539901 CC1=CC=C(C(=C1)C)C2=CC3=C(N2)C=CC=C3 R396397 [0,0,0,0,1,1|1,0,1]=4 44 B19R3.539901 NC1=CC=C(C(=C1)O)C2=NC3=C(O2)C=CC=C3 CDS001826 [0,0,0,0,1,1|2,0,0]=4