Datasets:
HR-machine
/
HIV

Dataset card Data Studio Files
xet
 Community
smiles
stringlengths
4
580
activity
stringclasses
3 values
HIV_active
int64
0
1
CC(C)=N[W](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+]
CI
0
CCCCCCCCCCCCCCNCC(OCC)OCC
CI
0
COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC
CI
0
O=C([OH+][Re+](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+])C(F)(F)C(F)(F)F
CI
0
O=C([OH+][Mn+](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+])C(F)(F)C(F)(F)F
CI
0
CCOC=CC=C(C(=O)OCC)C(=O)OCC
CI
0
C=C(CCCC(C)OCOCCOC)[Si](C)(C)C
CI
0
C=C(CCCC(C)OC(C)OCC)[Si](C)(C)C
CI
0
C=C(CCCCCOCOCCOC)[Si](C)(C)C
CI
0
CC=C(CCCCCOCOCCOC)[Si](C)(C)C
CI
0
CC(=O)CCCC(CC(C)O)[Si](C)(C)C
CI
0
C=CC(CCC(C)O)[Si](C)(C)C
CI
0
C=CC(CCC(C)OC(CCC)OCC)[Si](C)(C)C
CI
0
COC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F
CI
0
COC(=O)CP(=O)(OC)OCC(F)(F)F
CI
0
CCCC=C(Br)[Si](C)(C)C
CI
0
CCCCC=C(CCCBr)[Si](C)(C)C
CI
0
CCCCC=C(CCCNC=O)[Si](C)(C)C
CI
0
CCCCC=C(CCCNCCCC)[Si](C)(C)C
CI
0
C=CCCN(C=O)CCCC(=CCCCC)[Si](C)(C)C
CI
0
C[Si](C)(C)C=CCCNC=O
CI
0
C=CCCNCCC=C[Si](C)(C)C
CI
0
C=C(C)CCNCCC=C[Si](C)(C)C
CI
0
COC=CCCCO
CI
0
C=CCNC(=O)C=CC(=O)O
CI
0
NCCCNCCCCN(CCCN)[N+](=O)[N-]O
CI
0
NCCCCN(CCCN)[N+](=O)[N-]O
CI
0
CNCCCCN(C)[N+](=O)[N-]O
CI
0
CCCN(CCCN)[N+](=O)[N-]O
CI
0
C=CCCC(=O)CC(=O)OC
CI
0
C=C(CCC=CCO)[Si](C)(C)C
CI
0
C=C(CCC(O)C(Cl)CO)[Si](C)(C)C
CI
0
C=C(CCC(Cl)C(O)CO)[Si](C)(C)C
CI
0
C=C(CCC(Cl)C(COC)OC(CCC)OCC)[Si](C)(C)C
CI
0
CCCCCCCCCCCCCC(=O)NO
CI
0
NNC(=S)NN=CC(Cl)=C(Cl)C(=O)O
CI
0
NC(=O)NNCC(Cl)=C(Cl)C(=O)O
CI
0
CCN(CC)[N+]([O-])=NO.[NaH]
CI
0
CCON=[N+]([O-])N(CC)CC
CI
0
CCN(CC)[N+]([O-])=NOC
CI
0
CCCON=[N+]([O-])N(CC)CC
CI
0
CCN(CC)[N+]([O-])=NOCC(C)O
CI
0
NCCNC(=O)CCC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
CI
0
C#CCNC(=O)N(CC#C)N=O
CI
0
C#CCN(C)C(=O)N(CC#C)N=O
CI
0
CCC(C)C(NC(=O)CNC(=O)CN)C(=O)NCC(=O)NCC(=O)O
CI
0
CC(C)(C)CP(=S)(CCP(CCP(=S)(CC(C)(C)C)CC(C)(C)C)CCP(=S)(CC(C)(C)C)CC(C)(C)C)CC(C)(C)C
CI
0
CC(C)(C)CP(=S)(CC(C)(C)C)CC(C)(C)C
CI
0
CC(C)(C)CP(CCP(C)(C)=S)CC(C)(C)C
CI
0
CC(C)N(C(C)C)P(N(C(C)C)C(C)C)[Mo](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+]
CI
0
CC(C)N(C(C)C)P(Br)[Fe-3](C#[O+])(C#[O+])(C#[O+])C#[O+]
CI
0
O=S(=O)(O)CS(=O)(=O)OCCCl.[NaH]
CI
0
CCCCCCCCCCCCCCCCN[Si](NCCCCCCCCCCCCCCCC)(NCCCCCCCCCCCCCCCC)NCCCCCCCCCCCCCCCC.Cl
CI
0
CC[N+](CC)(CC)CC.N#CC(C#N)=C[C-](C#N)C#N
CI
0
CO[PH](OC)(OC)[Mn+](C#[O+])(C#[O+])([OH+]C(=O)C(F)(F)F)([PH](OC)(OC)OC)[PH](OC)(OC)OC
CI
0
CN(C)P(CCP(C)C)N(C)C
CI
0
CC(C)=CC(=O)CC(=O)C(=O)NCCNC(=O)C(=O)CC(=O)C=C(C)C
CI
0
Cl.N=C(N)NNC(=O)CCCCCCCC(=O)NNC(=N)N
CI
0
CCCCCCN(N)C(=O)CC#N
CI
0
NC(=O)C#CC#CC#CCO
CI
0
CCC(=O)C(C)C(=O)C(=O)C(=O)OC
CI
0
NCCCCCS(=O)(=O)O
CI
0
CC(=O)SC(SC(C)=O)SC(C)=O
CI
0
COC(=O)C(N)CSSCC(N)C(=O)OC.Cl
CI
0
CCOCC=NCC(=O)OCC
CI
0
CCOC(=O)C=CSCCC(=O)O
CI
0
CCOC(=O)C=CSCCC(=O)OC
CI
0
CCOC(=O)C(Br)=CSCCC(=O)O
CI
0
CCOC(=O)C=CSCCNC(=O)OCC
CI
0
CCOC(=O)C=CSCC(N)C(=O)O
CI
0
NCCSC=CC(=O)O
CI
0
CCN(CC)C(=O)C(C)=O
CI
0
CC(=O)CC[N+](C)(C)C.[I-]
CI
0
CCCN=C(NNC(N)=O)C(C)=O
CI
0
CCOC(CC(=O)NCCNC(C)=O)OCC
CI
0
CCCN=C(C(C)=O)N(C)C
CI
0
CCCNC(=N)C(C)=O
CI
0
CCOC(=O)C=CSC(C)(C)C(N)C(=O)O
CI
0
O=C(CS)NCCNC(=O)CS
CI
0
COC(=O)CCSSCCC(=O)OC
CI
0
COC(=O)CSSCC(=O)OC
CI
0
N[Co-4](N)(N)(N)([N+](=O)[O-])[N+](=O)[O-].O=[N+]([O-])O
CI
0
CCCCCCCCCCOCC(COCCOCC(COCCCCCCCCCC)OCCCS(=O)(=O)O)OCCCS(=O)(=O)O.[NaH]
CI
0
CCCCCCCCCCOCC(COCCOCC(COCCCCCCCCCC)OS(=O)(=O)O)OS(=O)(=O)O.[NaH]
CI
0
CCOP(=O)(OCC)OC(C)=CC(=O)OC
CI
0
CC(C)=CCCC(C)=CC=NO
CI
0
NNC(=O)C(=O)NN=C(C(Cl)(Cl)CO)C(Cl)(Cl)CO
CI
0
CC=C(I)CBr
CI
0
CCNCCCCNCCCCNCCCCNCCCCNCC.Cl
CI
0
NC(CCSCCF)C(=O)O
CI
0
O=C(NCCCl)SCCO
CI
0
CCOC(=O)CSC(=O)NCCCl
CI
0
CCN=C(C#N)NCC
CI
0
Cl.O=C(O)CCNCCCNCCC(=O)O
CI
0
Cl.O=C(O)CCNCCCCNCCC(=O)O
CI
0
Cl.O=C(O)CCN(CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O
CI
0
Cl.O=C(O)CCN(CCCN(CCC(=O)O)CCC(=O)O)CCC(=O)O
CI
0
Cl.O=C(O)CCN(CCCCN(CCC(=O)O)CCC(=O)O)CCC(=O)O
CI
0
O=[As](O)(O)CC(O)CO
CI
0
CCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCC
CI
0