Datasets:
Derify
/
covid-19-classification

Dataset card Data Studio Files
xet
Community
smiles
string
label
int64
CN1CC(C2=CC(=C(C=C21)O)N=NC(=O)N)O
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CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCOCC4
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CC(C)[C@](CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
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CCC(=O)C1=CC=C(C=C1)O
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C[C@@H](NC(=O)c1c(C)ccc(NC(=O)C=C)c1)c1cccc2c1cccc2
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COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)NC4=CC5=C(C=C4)OCCO5
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CCOC1=C(C(=CC(=C1)C(=O)N)Br)OC
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C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5
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CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3OC(F)F
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C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N
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CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C
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CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
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CC[C@H](C)[C@@H](C(=O)O)N
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COC1=CC=CC=C1OCCNC(=O)C2=CC(=O)NC3=CC=CC=C32
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C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
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C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
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CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2
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Cn5ccc(CN(C(=O)Cn2nnc1ccccc12)c4ccc(NC(=O)C3CCC3)cc4)c5
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C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C(F)(F)F
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CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2
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C1C(C(C(C1O)/C=C/C(COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)O)O
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CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)C
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CC1=CSC(=N1)N/N=C/C2=CC(=C(C=C2)O)[N+](=O)[O-]
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CN1C2=C(C=C(C=C2)NC(=O)CCl)N(C1=O)C
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CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
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n1c(N(C(C)C)C)c2c(n(C)nc2)nc1.n1c(N(C(C)C)C)c2c(n(C)nc2)nc1
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CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O
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CC(=O)O[Hg]c1ccccc1
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CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C3=NON=C3C
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O=C(On2nnc1ccccc12)C(=O)c4ccc3[nH]ccc3c4
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CN1C=CC=C1/C=N/NC(=S)N
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CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
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C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C
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CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C
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O=C(/C=C/C2=CC=CC=C2)NC1=CC=CC=C1SCCCN(C)C.Cl
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C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4
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C[C@@H](NC(=O)c1c(C)ccc(NC2CNC2)c1)c1cc(c2ccc(CN3CCCC3)s2)ccc1
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CC(C)(C(=O)N[C@@H](CS)C(=O)O)S
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CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O
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O=C(OCc1cccc(B(O)O)c1)c2cc(B(O)O)cc(N(=O)=O)c2
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COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.Cl
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CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C
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CN(C1=CC=C(C=C1)O)C(=O)C(Cl)Cl
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C1=CC=C(C=C1)CCNC2=CC=CC=C2C(=O)O
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N(C(=O)CC)([C@@H](C(=O)Nc1c(C)cc(OC)cc1)c1cnccc1)c1ccc(cc1)[C@@H](OC)C
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C1C[C@H](CS1(=O)=O)N(c1ccc(C)cc1)C(=O)C
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CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=O)N2)NS(=O)(=O)C3=CC=C(C=C3)C
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C1COCCN1C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)F
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CCCCCCCCO
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O=C(Oc1ccc(Br)cc1C(=O)/C=C/c1ccccc1F)c1ccco1
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C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccccc2)cc1
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O=c3c(=O)n(Cc2cc1ccccc1s2)c4c(Br)cccc34
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COC1=CC=C(C=C1)C(=O)OC2=NN(C(=O)C=C2)C3=CC=CC=C3
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CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3
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C1CCN(C1)CCOC2=C3COC/C=C/COCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2
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C1=CC2=C(C(=C1)N)C(=O)NNC2=O.[Na+]
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C[C@@H](CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C
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CCCC1=NC=CC(=C1)C(=S)N
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Cc1ccc(S(=O)(=O)n2ccc3cc(C(=O)Oc4cncc(Cl)c4)ccc32)cc1
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C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F
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CC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)OC.C(CC(=O)O)C(=O)O
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O=C(OCc1ccccc1COC(=O)c2cc(B(O)O)cc(N(=O)=O)c2)c3cc(B(O)O)cc(N(=O)=O)c3
1
CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
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CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O
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COCCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1
1
CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)O)C
1
CCOC(=O)C(C)/C(=N/NC(=S)N)/C
1
CC(=O)NC1C2=C(C=CC(=C2)F)N(C1=O)CCN3CCOCC3.Cl
1
CC(C)c3cc2CCC1[C@](C)(C=O)CCC[C@]1(C)c2cc3O
1
O=C([O-])c4ccc(/N=C/c2c(O)ccc3OC1CCCCC1c23)cc4
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C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[Br-]
0
CC(=C)CNC(=S)N/N=C(\C)/C1=CC=C(S1)Cl
1
CC1=NC=CN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N
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C[C@@H]\1C/C(=C/C[C@@H]2C[C@@H](C[C@@]3(O2)C/C(=N\OC)/[C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)OC(=O)[C@@H]4C=C([C@H]([C@@H]5[C@]4(/C(=C/C=C1)/CO5)O)O)C)/C
0
CNc3ccc(C(=O)C(=O)On2nnc1ccccc12)cc3
1
C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F
0
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F
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CC(=CCC/C(=C/CC/C(=C/CSCC(C(=O)O)NC(=O)C)/C)/C)C
0
C1C2=C(N(N=C2CS1(=O)=O)C3=CC(=CC=C3)Cl)NC(=O)C4=CC5=C(C=C4)OCO5
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C1COCCN1CC2=NC3=C(C=C(C=C3)Br)C(N2CC(=O)NN)C4=CC=CC=C4
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CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O
0
CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)O)O
0
CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=CC=CC3=C2N=CC=C3
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CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F
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O=Cc1cn(Cc2ccccc2)nc1-c1cccnc1
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COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
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CC1C(=O)OC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N1C)CC(C)C)CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Br)C)CC(C)C)CC(C)C)C)CC(C)C)CCC#N
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CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4
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CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O
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C1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)CC(=O)NN
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CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC3=CC=C(C=C3)CNC(=O)OC(C)(C)C
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CC1=NN(C(=O)C1)C2=CC=CC=C2
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CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O
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C([C@H](C([C@H](CO)O)O)O)O
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CC1=CC(=CC=C1)/C=N/NC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4
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CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3
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N(C(=O)CC)([C@@H](C(=O)Nc1c(CC)cccc1C)c1cnccc1)c1n[nH]c(c1)C(C)(C)C
1
CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5
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C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C
0