Datasets:
cmncomp
/
sm_preprocess

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1
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20
172
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2CCCCC2=O
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2OCC[C@H]2C
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)C=NC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCC(C2(C)CC2)N
CC(C)N1N=C(CCC1=O)C(=O)OCC2NC3CC2C=C3
CC(C)N1N=C(CCC1=O)C(=O)OCC3C2CC(C=C2)N3CC4=CC=CC=C4
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCCO2)C3CCCO3
CC(C)N1N=C(CCC1=O)C(=O)OCC(CNC)(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCC3CNC2=C(C=CC(=C2)C(F)(F)F)O3
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2C=C(CN)C=N2
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCC3=NC=C[N]23
CC(C)N1N=C(CCC1=O)C(=O)OCC(CCOC)(C)C
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]3C[C@@H]2CNC[C@@H]2N3C
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC=CCO2
CC(C)N1N=C(CCC1=O)C(=O)OCC[S](=O)(=O)C2CCCC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2(C(OC)=O)CCNC2
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC)(CC)C#N
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CSC(=N2)Br
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(CN)C=C2
CC(C)N1N=C(CCC1=O)C(=O)OCCCCCCN=[N]#N
CC(C)N1N=C(CCC1=O)C(=O)OCC2NCCOC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=C2)CCCl
CC(C)N1N=C(CCC1=O)C(=O)OCC(C2=NC(=NO2)C)N
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)N=N[N]2C
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@]2(CN)COC[C@H]3CCCN23
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCC(F)(F)CO2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(N)C(=CC=C2Cl)F
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=CS2)Cl
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](N=N2)C3CNC3
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2CCCCO2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=NC(=N2)C(OC)(C)C
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(OC=N2)C3CC3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC(=C2)C)F
CC(C)N1N=C(CCC1=O)C(=O)OCC(C(N)C2CC2)C3CC3
CC(C)N1N=C(CCC1=O)C(=O)OCCCCCN=[N]#N
CC(C)N1N=C(CCC1=O)C(=O)OCC2(OC)CNCCC2
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2COC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=C2)[N]3C=NC=N3
CC(C)N1N=C(CCC1=O)C(=O)OCC2CNCCN(C)C2
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCC(F)(F)CO2
CC(C)N1N=C(CCC1=O)C(=O)OCC3(C)CC2=C(C=CC=C2)C3
CC(C)N1N=C(CCC1=O)C(=O)OCC2NCC3(C2)CCC3
CC(C)N1N=C(CCC1=O)C(=O)OCCC(N2CCOCC2)C(F)(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCCCCCCOC(=O)C=C
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCC2)C3CCCO3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CSC(=N2)C3=CC=NC=C3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC3=C(S2)CC(C)CC3
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]3CN(CC2=CC=CC=C2)C[C@H]3F
CC(C)N1N=C(CCC1=O)C(=O)OCC=CCCCCCC
CC(C)N1N=C(CCC1=O)C(=O)OCC[S](CCC)(=O)=O
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCCCN2
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2NC[C@H](C2)F
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)(C)C(C)(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C[N]3N=CC=C23
CC(C)N1N=C(CCC1=O)C(=O)OCCN(C(C)C)C
CC(C)N1N=C(CCC1=O)C(=O)OCCSC2CCCCC2
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H](C2=N[NH]C(=N2)C)N
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCCO2)C3=CC=CC=C3
CC(C)N1N=C(CCC1=O)C(=O)OC[C@]23C[C@H]2CCCN3CC4=CC=CC=C4
CC(C)N1N=C(CCC1=O)C(=O)OCC2=COC(=C2C(OC)=O)C
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC(C(OC)=O)(C2)N
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC(C(OC)=O)(C2)N
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CN)C3(C2)CCOCC3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=C3CCC[N]23
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=NC(=N2)N3CCN(C)CC3
CC(C)N1N=C(CCC1=O)C(=O)OCC(F)(F)CC=C
CC(C)N1N=C(CCC1=O)C(=O)OCC23CC(CN2)CCC3
CC(C)N1N=C(CCC1=O)C(=O)OCCC2(CN)CC2
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CC2(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCC(C=C)N2CCCCC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(C=C2)C(F)C(F)(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCCC2C3CCN(C2)CC3
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCNC2(C)C
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2[C@@H](CNC2)F
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CCN)CC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2CNC(=O)O2
CC(C)N1N=C(CCC1=O)C(=O)OCC3C[C@H]2CC(OC)([C@H]2C3)OC
CC(C)N1N=C(CCC1=O)C(=O)OCC3=NC2=C(CCCC2)[NH]3
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H](C(C)C)N3CC2=C(C=CC=N2)C3=O
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCCC3CC23
CC(C)N1N=C(CCC1=O)C(=O)OCC2(COCCN2CC3=CC=CC=C3)C#N
CC(C)N1N=C(CCC1=O)C(=O)OCC3=NN=C(C2CC2)[N]3C4=CC=CC=C4
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCNC3=C2C=CC=C3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](N=N2)C3CCOC3
CC(C)N1N=C(CCC1=O)C(=O)OCC3(C(N)C2=CC=CS2)CCC3
CC(C)N1N=C(CCC1=O)C(=O)OCC(C(C)C)ON
CC(C)N1N=C(CCC1=O)C(=O)OCC(CN)CC2=CC(=C(C=C2)F)Br
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CC(C)(CC2)C)N
CC(C)N1N=C(CCC1=O)C(=O)OCCC3C2CC4CC(C2)CC3C4
CC(C)N1N=C(CCC1=O)C(=O)OCCNC2(C(OC)=O)CCC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NN=C(S)[N]2C3=CC=C(C=C3)F
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2CNC[C@H]2C3=CN=C[N]3C
CC(C)N1N=C(CCC1=O)C(=O)OCC2(N)CCSCC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2(C(C)CNC2)C
CC(C)N1N=C(CCC1=O)C(=O)OCC3C2=C(C=CC=C2)C4=C3C=CC=C4
CC(C)N1N=C(CCC1=O)C(=O)OCC3=NC2=C(CCCC2)S3
CC(C)N1N=C(CCC1=O)C(=O)OCCC(C)(C)C(F)(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC(OC)CN2C3=NC=NC(=C3)F
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=NC(=N2)CCOC
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCSC2(C)C