Datasets:
cmncomp
/
sm_preprocess

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20
172
CC(C)N1N=C(CCC1=O)C(=O)OCC2C[C@H](C)O[C@@H](C2)C
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=C(C(OC)=O)C=C2F)F
CC(C)N1N=C(CCC1=O)C(=O)OCC23CC(CN)(C2)C3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](N=C2)CCF
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2CCOC2
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2C3[C@H](N)CC(C2)C3
CC(C)N1N=C(CCC1=O)C(=O)OCCC3=CC2=C(N=CC(=C2)Cl)[NH]3
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2N=CC(=C2N)I
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCNCC2)C(F)(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCC(O2)C(F)(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NN=C(COC)[N]2C
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=N[N]2C3CCC3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(CC)ON=C2C
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](CC)N=N2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=C(CN)S2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(C=C2)CC=C
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CSC(=N2)C3OCCO3
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2[C@@H](C)N2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
CC(C)N1N=C(CCC1=O)C(=O)OCC=C2CCOC3=C2C=CC=C3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC(=C2F)Cl)Br
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CC(N)C2
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C(C=CC(=N2)C(F)(F)F)Br
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CC2(C)C)CN
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@]2(C[C@@H](N)C2)C3=CC=CC=C3
CC(C)N1N=C(CCC1=O)C(=O)OCC(CCCCCCCC)N
CC(C)N1N=C(CCC1=O)C(=O)OC[CH]=[C]2CC[CH2]CC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=C(C=C2[N](=O)=O)Cl)OC
CC(C)N1N=C(CCC1=O)C(=O)OCC23N(CCNC2)CCOC3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=C(C(C(C)C)C(C)C)C=C2
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C(N=C(C)S2)C
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=NC(=C2)C)OC
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CNCC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCN2C3CCOCC3
CC(C)N1N=C(CCC1=O)C(=O)OCC[C@@H]2CC[C@@H](N)CC2
CC(C)N1N=C(CCC1=O)C(=O)OCC(ON)C2CCCC2
CC(C)N1N=C(CCC1=O)C(=O)OCCOC3=C2C=CC=CC2=NC=C3
CC(C)N1N=C(CCC1=O)C(=O)OCC(C2=CC=C(C(C)C)C=C2)N
CC(C)N1N=C(CCC1=O)C(=O)OCC(F)(F)C2=CC=C(C=C2)F
CC(C)N1N=C(CCC1=O)C(=O)OCC3=NC2=C(N=C(N)N=C2N)[NH]3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=C2)I
CC(C)N1N=C(CCC1=O)C(=O)OCC(COC)(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2=CC(=CN=C2)Cl
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=C(C(C)C)O2
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCC(=O)O2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=CC(=C2)C(OC)=O
CC(C)N1N=C(CCC1=O)C(=O)OCC2(N)CCCNC2
CC(C)N1N=C(CCC1=O)C(=O)OCC(N)C2=NC=C[NH]2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=C(C)N=C2
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC3CC2C4CC34
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(O[Si](C(C)(C)C)(C)C)C=C2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(OCC(OC)=O)C=C2
CC(C)N1N=C(CCC1=O)C(=O)OCC2CNCCCN2
CC(C)N1N=C(CCC1=O)C(=O)OCCC2(CCC#C)N=N2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=C(OC)C=C2)OC
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCC2)C3CCCCO3
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC3CCC(C2)[S]3(=O)=O
CC(C)N1N=C(CCC1=O)C(=O)OCC2C3=C(OCCN2)C=CC=C3
CC(C)N1N=C(CCC1=O)C(=O)OCC2C3CCC#CCCC23
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]3CCC(C2=C[N](N=C2C)C)N3
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C(C=CC=C2)C=C
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCCC2(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)C2CCOCC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCC3(CN2)CCCC3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=N[NH]2)C
CC(C)N1N=C(CCC1=O)C(=O)OCC34CC2CC(CC(N)(C2)C3)C4
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC3=C(C=C2)OCO3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NON=C2CC
CC(C)N1N=C(CCC1=O)C(=O)OCCOCCC=C
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2=C(C=CC=C2)Br
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2CCCN2C
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCN2CC3CCCN3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC(=C2)C(OC)OC)F
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=C(C=C2)Br)Cl
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCCC2=O
CC(C)N1N=C(CCC1=O)C(=O)OCC23CCN(CC2)C3
CC(C)N1N=C(CCC1=O)C(=O)OCC23CCC(C)(CC2)OC3
CC(C)N1N=C(CCC1=O)C(=O)OCCCNC(NC)=O
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2N=C(C=C2C)N
CC(C)N1N=C(CCC1=O)C(=O)OCCCN(C)CC(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CON=C2C3CC3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](C(=C2C)Br)C
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(N)C2=CC(=CC=C2)Br
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CC=C)CCC2
CC(C)N1N=C(CCC1=O)C(=O)OCCC3=CC2=C(C=C(C(OC)=O)C=C2)O3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=NN=C2C3CC3)C
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](N=C2OC)C
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(CCC)C=CC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(C)C2=NC=CC=C2
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2CC[C@H]2C(O)=O
CC(C)N1N=C(CCC1=O)C(=O)OCC2=COC(=N2)Br
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2CNC[C@H]2C3=C[N](C)N=C3
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(C)C2CCOCC2
CC(C)N1N=C(CCC1=O)C(=O)OCCCN2CCC(F)C2
CC(C)N1N=C(CCC1=O)C(=O)OCC#CC2=CSC(=C2)CN3CCOCC3
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CC2)C3CC3
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC=C(CN)C=C2
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2=NC=C(N)C=C2
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCC=CCC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=C3C(=C2)C4=C([NH]3)C=CC=C4
CC(C)N1N=C(CCC1=O)C(=O)OCC23CC(CN)(C2)OC3