Datasets:
cmncomp
/
sm_preprocess

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1
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20
172
CC(C)N1N=C(CCC1=O)C(=O)OCC(CC(C)=C)N
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CN=N[N]2C
CC(C)N1N=C(CCC1=O)C(=O)OCCNC(NC)=O
CC(C)N1N=C(CCC1=O)C(=O)OCCN(C)CCN
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC23CCOC3
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2C3=C([C@H](N)C2)C=CC=C3
CC(C)N1N=C(CCC1=O)C(=O)OCC2(CC=C)CCCCC2
CC(C)N1N=C(CCC1=O)C(=O)OCC(N)CC2CCCO2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC(=CC(=C2)C)C
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NN=C([N]2C)C(F)(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=CC=CS2
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2=CC=CC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCCCCCCC
CC(C)N1N=C(CCC1=O)C(=O)OCC(CCCC)CC
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=NC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCCCOCCOCCOCCOC
CC(C)N1N=C(CCC1=O)C(=O)OCCCCCCCCCC
CC(C)N1N=C(CCC1=O)C(=O)OCCCCCCCCC
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=CC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CSC(=N2)S
CC(C)N1N=C(CCC1=O)C(=O)OCC[C@@H]2C[C@H]2C3CC3
CC(C)N1N=C(CCC1=O)C(=O)OCC2(COCCN2C)CN
CC(C)N1N=C(CCC1=O)C(=O)OCC(F)(F)C(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=CC=C2)F
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCCC2
CC(C)N1N=C(CCC1=O)C(=O)OCCC2=C(C)N=CS2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(C=C2)Cl
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=N[N]2C3=C(C=CC=C3)Br
CC(C)N1N=C(CCC1=O)C(=O)OCCNC2=NN=C(N)[NH]2
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2=CN=CC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCC2CCCNC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=CC(=C2OC)OC
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(OC)C=CC3=C2CCCC3
CC(C)N1N=C(CCC1=O)C(=O)OCCC2C[S](=O)(=O)CCN2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=C(C(=C2)C)CN)C
CC(C)N1N=C(CCC1=O)C(=O)OCC(F)(F)C(F)(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=CC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C3C(=C(C)C=N2)C=CC=C3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC(=C2)OC)OC
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC3CCC2C3
CC(C)N1N=C(CCC1=O)C(=O)OCC2(NCCNC2)C
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)CN2CCOCC2
CC(C)N1N=C(CCC1=O)C(=O)OCC(COC)C(C)C
CC(C)N1N=C(CCC1=O)C(=O)OCCCN2CC(C)OCC2
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CC(C)(C)OC(C2)(C)C
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H](N)CCC2=CC=CC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2=COC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=CC=C2)SC(F)(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCCCNC2=CC=C(C(C)C)C=C2
CC(C)N1N=C(CCC1=O)C(=O)OCCCNC2CC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=C(OC)C=C2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(N)C=CC(=C2)Br
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[NH]C3=C2C=CC=N3
CC(C)N1N=C(CCC1=O)C(=O)OCCNC2=CC=C(C=C2)C(F)(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCOCC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC(=CC=C2)S
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCCCC2
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2=CC=CC(=N2)C
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H](N)C2=CC=C(C=C2)Cl
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC=CC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2CCCCC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=CC(=C2)OC
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(OC)C=C(C(=C2)OC)OC
CC(C)N1N=C(CCC1=O)C(=O)OCC(C(OC3CC2CCC(N2C)C3)=O)C4=CC=CC=C4
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2=CC=NC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCCCC2=CC=CC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCCC2CCCCN2
CC(C)N1N=C(CCC1=O)C(=O)OCCOCCN(C)CCN
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C=CC=C2)F
CC(C)N1N=C(CCC1=O)C(=O)OCC2CC2(C3(C)CC3)C
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H](N)CCC2=CC=CC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCC23CCCC2(OC)OCC3
CC(C)N1N=C(CCC1=O)C(=O)OCC#CC2=NC=C(C=C2)OC(F)(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCCCCCCCC
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCNCC2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC=CC(=C2)O
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCCC2=O
CC(C)N1N=C(CCC1=O)C(=O)OCCOC2(CN)CCC(CC2)C(F)F
CC(C)N1N=C(CCC1=O)C(=O)OCCN(CC)C2=CC=C(C=C2)N
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CC3=C(C=C2)C=CC=N3
CC(C)N1N=C(CCC1=O)C(=O)OCC23CCC(CC2)N3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=CN=N[N]2C3=C(C=CC(=C3)Cl)Cl
CC(C)N1N=C(CCC1=O)C(=O)OCCNCC2=CC=CC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCC(OCC)OCC
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C[N](N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4
CC(C)N1N=C(CCC1=O)C(=O)OCC2CN(C)C(C2)=O
CC(C)N1N=C(CCC1=O)C(=O)OCC(F)(F)C2=CC=CC=C2
CC(C)N1N=C(CCC1=O)C(=O)OCCC(C)(C)CBr
CC(C)N1N=C(CCC1=O)C(=O)OCC2=N[N](C=C2C)C
CC(C)N1N=C(CCC1=O)C(=O)OCC3CCC2=C(C=C(OC)C=C2)O3
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C)OC(=C2)C(C)(C)C
CC(C)N1N=C(CCC1=O)C(=O)OC[C@@H]2C[C@H](OC)CN2
CC(C)N1N=C(CCC1=O)C(=O)OCC2=C(C(=CC(=C2)C)Br)C
CC(C)N1N=C(CCC1=O)C(=O)OCC[N]2C(=C(C(OCC)=O)C(=N2)C)N
CC(C)N1N=C(CCC1=O)C(=O)OCCC(N)C2CCCC2
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2[C@@H](N)C3=C(OC2)C=CC=C3
CC(C)N1N=C(CCC1=O)C(=O)OC[C@H]2[C@@H](CCNC2)C3=CC=C(C=C3)F
CC(C)N1N=C(CCC1=O)C(=O)OCC(C)OC(=O)C(C)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3
CC(C)N1N=C(CCC1=O)C(=O)OCCN2CCCC3NCCC23
CC(C)N1N=C(CCC1=O)C(=O)OCC2=NC(=NC=C2)C3=NC=CC=C3