0 B6R0.1 C#CC(=O)OCC B051748 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCNC(C)CO B039551 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.3 CCC(=O)NN B015434 [1,0,0,0,0,0|3,0,0]=4 3 B5R0.3 CC\C(N)=N\O B030359 [1,0,0,0,0,0|2,0,1]=4 4 B7R1.1 C(=O)C1=CC=NN1 B039168 [0,0,0,1,0,0|2,0,1]=4 5 B7R1.1 O=CC1=CNN=C1 B015969 [0,0,0,1,0,0|2,0,1]=4 6 B7R1.1 O=CC1=CNN=C1 B039241 [0,0,0,1,0,0|2,0,1]=4 7 B7R1.2 CC1=CN(C)C=N1 B046338 [0,0,0,1,0,0|2,0,1]=4 8 B7R1.2 CC1=CN(C)N=C1 B046181 [0,0,0,1,0,0|2,0,0]=3 9 B7R1.2 CC1=NN(C)C=C1 B006757 [0,0,0,1,0,0|3,0,0]=4 10 B7R1.2 CN1C=C(Br)C=N1 B040735 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.2 CN1C=C(Cl)C=N1 B040734 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.2 CN1C=C(I)C=N1 B047728 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.2 CN1C=C(N)C=N1 B022860 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.2 CN1C=C(N)C=N1 B037105 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.4 CC1=CNN=C1N B007334 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.4 CC1=CNN=C1N B039349 [0,0,0,1,0,0|3,0,0]=4 17 B4R0.1 C#CC(=C)C B048766 [2,0,0,0,0,0|0,0,2]=4 18 B6R1.2 CC1=CNN=C1 B014452 [1,0,0,1,0,0|2,0,0]=4 19 B8R1.1 CC1=CC=C(C=O)S1 B015983 [0,1,0,1,0,0|1,0,1]=4 20 B8R1.1 CC1=CC=C(CN)S1 B030516 [0,1,0,1,0,0|2,0,0]=4 21 B8R1.1 CC1=CN(CCl)N=C1 B017585 [0,1,0,1,0,0|2,0,0]=4 22 B8R1.1 CC1=CN(CCl)N=C1 B046414 [0,1,0,1,0,0|2,0,0]=4 23 B8R1.1 CC1=CN(CO)N=C1 B028555 [0,1,0,1,0,0|2,0,0]=4 24 B8R1.1 CC1=CSC(CCl)=N1 B059707 [0,1,0,1,0,0|1,1,0]=4 25 B8R1.1 CC1=CSC(CN)=N1 B030505 [0,1,0,1,0,0|1,1,0]=4 26 B8R1.1 CC1=NNC(C=O)=C1 B014001 [0,1,0,1,0,0|1,0,1]=4 27 B8R1.1 CCC1=CC(Br)=CS1 B046186 [0,1,0,1,0,0|1,1,0]=4 28 B8R1.1 CCN1C=C(Br)C=N1 B039770 [0,1,0,1,0,0|2,0,0]=4 29 B8R1.1 CCN1C=C(C)C=N1 B052000 [0,1,0,1,0,0|1,0,0]=3 30 B8R1.1 CCN1C=C(Cl)C=N1 B039696 [0,1,0,1,0,0|2,0,0]=4 31 B8R1.1 CCN1C=C(I)C=N1 B047731 [0,1,0,1,0,0|2,0,0]=4 32 B8R1.1 CCN1C=C(N)C=N1 B038633 [0,1,0,1,0,0|2,0,0]=4 33 B8R1.1 CCN1C=CC(C)=N1 B006751 [0,1,0,1,0,0|2,0,0]=4 34 B8R1.1 CCN1C=NC(C)=C1 B051963 [0,1,0,1,0,0|2,0,0]=4 35 B8R1.1 CN1C=C(C=O)C=N1 B000400 [0,1,0,1,0,0|1,0,1]=4 36 B8R1.1 CN1C=C(CCl)C=N1 B039771 [0,1,0,1,0,0|2,0,0]=4 37 B8R1.1 CN1C=C(CN)C=N1 B000529 [0,1,0,1,0,0|2,0,0]=4 38 B8R1.1 CN1C=C(CO)C=N1 B020730 [0,1,0,1,0,0|2,0,0]=4 39 B8R1.1 CN1C=CC(C=O)=N1 B007390 [0,1,0,1,0,0|1,0,1]=4 40 B8R1.18 CC1=CN(C)N=C1N B039135 [0,1,0,1,0,0|2,0,0]=4 41 B8R1.18 CC1=CN(C)N=C1N B051832 [0,1,0,1,0,0|2,0,0]=4 42 B8R1.2 C#CC1=CCCCC1 B050145 [0,1,0,1,0,0|1,0,1]=4 43 B8R1.50 CC1=C(Br)N(C)C=N1 B058547 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.50 CC1=C(Cl)N(C)C=N1 B058540 [0,1,0,1,0,0|2,0,0]=4 45 B8R1.50 CC1=C(I)N(C)C=N1 B051982 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.50 CC1=C(N)N(C)N=C1 B051840 [0,1,0,1,0,0|2,0,0]=4 47 B8R1.50 CC1=C(N)N(C)N=C1 B051841 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.50 CN1C(=O)CNC1=S B014802 [0,1,0,1,0,0|2,0,0]=4 49 B8R1.7 NC(=O)C1=NCCN1 B049605 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.11 C(=O)C1=C(C)C=NN1 B039268 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.11 CC1=C(C=O)C=NN1 B034879 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.11 CC1=C(C=O)C=NN1 B047429 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.11 CC1=C(CBr)SC=N1 B059808 [0,1,0,1,0,0|1,1,0]=4 54 B8R1.11 CC1=C(CO)N=CN1 B037486 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.11 CC1=C(CO)SC=N1 B059809 [0,1,0,1,0,0|1,1,0]=4 56 B8R1.11 CC1=CNN=C1CO B058953 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.11 CCC1=CC=NN1C B037958 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.11 CCN1C=NC=C1C B051962 [0,1,0,1,0,0|2,0,0]=4 59 B8R1.11 CCN1N=CC=C1C B006759 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.11 CN1N=CC=C1C=O B007393 [0,1,0,1,0,0|1,0,1]=4