Datasets:
Derify
/
covid-19-classification

Dataset card Data Studio Files
xet
Community
smiles
string
label
int64
CCNC(=O)CC[C@@H](C(=O)O)N
0
CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)O
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CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]
1
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)CCC3=CNC4=CC=CC=C43
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CCN1C(=NN=C1SCC(=O)C(C)(C)C)COC2=CC=CC=C2
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CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC
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CCNC1(CCCCC1=O)C2=CC=CS2
0
CC1=CC(=CC=C1)NS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Cl
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C[C@]12CCCC([C@@H]1C[C@@H]([C@@]3([C@@H]2CC(=O)O3)C)O)(C)C
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N#Cc3c(c1cccc(N(=O)=O)c1)nc(SCc2ccc(N(=O)=O)cc2)[nH]c3=O
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Cc1cc(S(=O)(=O)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)cc1Cl
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CC(C)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl
1
CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=CC2=C(C=C1C(=O)O)OC(=N2)C3=CC(=CC(=C3)Cl)Cl
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C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
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N1(Cc2ccsc2)CCN(CC1)C(=O)C
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CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3
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CC(C)CCCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)OC8C(C(C(C(O8)CO)O)O)O)C9=C(C=CC(=C9)C(C(=O)N6)NC(=O)C4NC(=O)C1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)C(C(=O)NC(CC2=CC=C(O3)C=C2)C(=O)N1)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O
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CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
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CC(C)N(CCC1=CNC2=CC=CC=C21)C(C)C
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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2cccnc2)cc1
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C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F
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CC1=CC(=CC=C1)N2C(=CC(=C2C)/C=N/NC(=S)N)C
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CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O
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CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)O
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CCN(CC)C(=S)SSC(=S)N(CC)CC
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C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3
0
CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
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CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C
0
CC(C)(CC(CC1=CC2=C(N1)C=NC=C2)(C(F)(F)F)O)C3=C(C=CC(=C3)F)O
1
CCCCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F
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CS(=O)(=O)O.CS(=O)(=O)O.C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C
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C1=CC(=CN=C1)OC(=O)C2=CC=C(C=C2)Cl.Cl
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COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO)Cl
0
CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C
0
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
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CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C4=CC=CC=C4
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CN1C(=O)CC(C1=O)C2=CC=CC=C2
0
N1(CCN(c2ccc(OC)cc2)CC1)C(=O)C
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C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O
1
CNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)Br
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CCCCNC(=O)N(C1C(SC(=S)N1/N=C/C2=CC=C(C=C2)N(C)C)(C)C)O
1
CC1CCCCC1NC(=O)NC(=O)CCl.Cl
1
CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4
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CC1=CC(=C(C(=C1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)OC
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CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N/N=C/C2=C(C=CC(=C2)Br)O
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C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O
0
CCCOC1=C(C=CC(=C1)N)C(=O)OCCN(CC)CC
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C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N
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C1=NN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
1
CC1=CC=C(O1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)OC
1
CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C
0
CC1=CC(=NN1)C(=O)NC2CCCC3=C2C=NN3C4=CC=C(C=C4)C(C)(C)C
1
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N
0
CC1=CC(=C(S1)NC(=O)CCl)C(=O)C2=CC=CC=C2
1
CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C
0
CSc1n[nH]c(NC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1
1
CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl
0
N1(CCC(C(=O)Nc2ccccc2O)CC1)C(=O)C
1
CCNC(=S)NC1=CC(=C(C=C1)C)Cl
1
Clc1c(C(=O)Nc2c(C(=O)NC3CCNCC3)n[nH]c2)c(Cl)ccc1
1
O=C(Oc1cncc(Cl)c1)c2cccs2
1
CC[C@H]1CN2CCC1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O
0
CC/C=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.O.Cl
0
C1=CC(=C(C=C1C(=O)NO)O)O
0
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3=CC(=C(C=C3C[C@H]2C(=O)O)OC)OC
0
N1(Cc2ccc(s2)Cl)CCN(CC1)C(=O)C
1
CC1=CC(=CC=C1)N2C3=C(C(=N2)C)C(=CC(=N3)C4=CC=CS4)C(=O)O
1
CCN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3OC
1
N#Cc4ccc(N3NC(c1ccccc1)/C(=C/c2ccc(C(=O)O)cc2)C3=O)cc4
1
CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4
0
CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(N=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
1
COC1=CC(=C(C=C1)/C=N/NC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O
1
C1=NC(=C(N1C2C(C(C(O2)CO)O)O)O)C(=O)N
1
Cc2c(C(=O)CC1OC(=O)/C(Cl)=C1/Cl)sc3ccc(Cl)cc23
1
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O
0
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)O)C
0
CC1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)C#N
1
CC(=O)C1=C(NC(=C1)C2=CC=CC=C2)N3CCOCC3
1
C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C8CCCCC8)C)O
0
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
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CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O
0
CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OCC)OCC)OCC.Cl
1
CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O
1
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO
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C1=CC2=C(C=C1Cl)NC(=O)O2
1
COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O
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C1=CC=C(C=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O
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C1=CN=C(C=N1)NNC(=O)/C=C\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
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C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O
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CCOC(=O)c1ccccc1NC(=O)N3CCCN(CCc2csc(C)n2)CC3
1
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
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O=C(Oc1cncc(Cl)c1)c3cc2ccccc2[nH]3
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COC1=C(C=C(C=C1)C2=NN(C(=C2)N)S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)OC
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O=C(c2ccc(c1ccc(Cl)cc1)o2)C(F)c3cncc(Br)c3
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CC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
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CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2
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CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)N
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C1=CC2=C(C=C1C(=O)O)SC=N2
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COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
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C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O
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