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phanvancongthanh
/
data_part01

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smiles
stringlengths
18
54
CC1CC(NC(=O)Cc2ccc3ncsc3c2)CCN1C
Cc1cccnc1C(C)NC(=O)N1CCCC1C(C)(C)O
CC(=O)C(c1ccccc1)N1CCC(c2cc(C)[nH]n2)C1
CC(CN(C)CCCN(C)C)NC(=O)N1CCC12CCC2
O=c1[nH]cc(Cl)nc1N1CCC(Cc2ccncc2)C1
COC(=O)C1C(C)OCCN1Cc1cccnc1OC
COC1CCCN(C(=O)C(O)c2ccc(C(C)C)cc2)C1
CC1(C)CCC(NC(=O)NCC2(O)CS(=O)(=O)C2)CC1
CC(c1ncco1)N1CCC(O)(C(F)(F)C(=O)O)C1
COC1(C(=O)NC(C(=O)O)c2cnn(C)c2)CCSC1
Cc1ccc(F)c(NC(=O)N2CCc3c[nH]nc3C2)c1F
CCn1nccc1C(=O)NC(C)(CC(=O)O)CC(C)C
CC(c1ccccn1)N(C)CCNC(=O)C(C#N)C1CC1
OC1(CNc2ncnc3c(F)c(F)ccc23)CCSCC1
CCC(C)CCC(O)Cc1nc(C2(N)CCCC2)no1
CC1CN(Cc2cccc3c2OCO3)CC2(CCCC2)O1
Cn1cc(Br)cc1C(=O)N1CCN(CC2CCC2)CC1
O=S(=O)(NC1COc2cc(F)ccc2C1)c1nc[nH]n1
CC(=O)NC1CCCC1Cn1cc(CS(C)(=O)=O)nn1
Cc1cc(=O)n2c(n1)N(C(=O)C1CCC(C)(C)OC1)CC2
O=C(Nc1ncc(C2CCOC2)s1)C12CCOCC1C2
Cc1cc(Br)ccc1S(=O)(=O)NC1CNCC1F
CC(NC(=O)c1cncnc1C1CC1)c1cncs1
CCC(CCOC)C(=O)NC(CO)CC(F)(F)F
COc1ccc(C(=O)NCC2CCNC23CC3)c(O)c1
O=C(NC1CN(C2CCOCC2)C1)C1CCC1(F)F
CC1(C)CCCC(CNC(=O)CCn2cccnc2=O)O1
CCNC(=O)C(C)N1CCN(CC2CCCCN2C)CC1
COc1cc(NC(=O)CC(C)OC)c2ccccc2n1
CN1CC(O)C(N(C)C(=O)CS(=O)(=O)NC(C)(C)C)C1
CC(C)CN(C)c1ccc(C(=O)NC2CCNC2=O)cc1
Cn1cnc2c(C(=O)N=CC(=O)N[SH](C)(C)=O)cccc21
NC1CCCN(Cc2cnc(-c3ccsc3)s2)C1
COc1cc(F)ccc1S(=O)(=O)N1CC(N(C)C)C1
CN(CC1CCOCC1)C(=O)c1cnc(C2CC2)s1
COCC(CCNC(=O)c1ccc(C)c(Cl)c1F)OC
CC(C)CC1(C#N)CCN(CC(O)COC(C)(C)C)CC1
CC(C)(CN)CSc1cc(=O)n(C2CCCCC2)c(=O)[nH]1
CN(C)C1(C)CCC(NC(=O)C2(n3cccn3)CC2)CC1
CCOC(=O)Nc1cccc(NC(=O)C2OCCO2)c1C
Cc1cc(NC(=O)C(C)CS(C)(=O)=O)cnc1C(F)(F)F
NCCCC(=O)N1CCn2c(cnc2C(F)(F)F)C1
O=C(NC1(CCO)CCSCC1)C1(C2CCCO2)CC1
CNC(=O)NCC1CN(C(=O)CC(CN)C(F)F)CCO1
CCC1(F)CN(C(=O)NCCc2cc(C)nc(OC)c2)C1
CCCc1cccc(C(=O)N(C)CCC2CN(C)C2)c1
O=S(=O)(C1CCC1)N1CCC(Oc2cncc(Cl)n2)CC1
CCCC1CN(CCN2CCOCC2)CC1C(=O)OC
NC(=O)c1ccc2c(c1)CCN2C(=O)CC1COCC1O
CCC(O)CN(C)S(=O)(=O)Cc1cc(F)ccc1Cl
CCOC1CC2(C1)CC2C(=O)N1CCCC(F)(CO)C1
N#CC1(CCC(=O)NCCc2cccc(CO)c2)CCC1
CC1CNCC(C(=O)Nc2ccn(CCOC(C)C)n2)C1
CC(=O)CC(NS(=O)(=O)c1ccc2ncsc2c1)C(=O)O
CCC(CC)n1nccc1C(=O)N1CC(O)C(OC)C1
CCN(CC)C(=O)Nc1ccc(OCC(=O)NC)cc1C
CCCCC(NC(=O)CSCC(=O)OC)C1CCC1
COc1cc(C)ncc1CN1CC2CC(C1)C(C(=O)O)C2
CCc1c(C(=O)NCC2CCCN(CC)C2=O)csc1C
O=C(NCCc1cnco1)C(F)(F)C1(O)CCCC1
CCc1nn(C)c(CC)c1NC(=O)COC(C)(C)CN
CCOC(=O)c1ccc(CN(C)CCc2nn[nH]n2)o1
CCC(CC)CNC(=O)C1CCCC1S(C)(=O)=O
COCCc1nnc(NC(=O)CCc2c(C)noc2C)s1
Cc1n[nH]c(C)c1CCC(=O)Nc1ccn(C2COC2)n1
O=C(NC1CCN(c2ncccn2)C1)C1CCNC2CC21
CC1CN(C(=O)c2ccn3nccc3c2)CC[S+]([O-])C1
CC(C)C1CC(CNC(=O)c2cc3n(c2)CCC3)CCO1
CC1OCCC1(C)C(=O)OCc1cccc(F)c1C#N
CCc1ccc(Br)cc1C(=O)N1CC(O)CC1C(=O)O
Cc1cc(NC(=O)CC(C)(N(C)C)C(F)(F)F)ns1
CN(Cc1cn(-c2cnnn2C)nn1)C1CC2(CCC2)C1
O=C(Cn1ccc2ccc(F)cc21)N1CC(O)C(O)CO1
N#Cc1cccc(OCC(=O)N2CCC3(CCCO3)C2)c1
O=C(c1ccc2cnoc2c1)N1CCC(CC(F)F)C1
O=C(NCCc1cc2ccccc2s1)N1CCCC(O)C1
COc1nnc(NC(=O)C2CC(c3ccccc3)C2)s1
CCN(C(=O)NCCC(C)(C)O)C(C)c1cc(Cl)ccn1
CC(NC(=O)N(C)CCCC(F)(F)F)C1CCOC1
CC1(C)CC(=O)NC1CNc1ccnc(C(F)F)n1
OC1CCC(CSC2CNC3(CCOCC3)C2)CC1
CCCN(CCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(C)C
CC(=O)NC1(CC(=O)N(CCN)CCCN(C)C)CC1
O=S1(=O)CCC(C2(Nc3nnc(Cl)s3)CC2)CC1
CCc1ccc(OC)c(NC(=O)Nc2c[nH]nc2OC)c1
CC(C(=O)NC(C)(C)CCO)S(=O)(=O)c1ccc(F)cc1
CC(C)CC(CS(C)(=O)=O)NC(=O)C1(N(C)C)CCC1
O=S(=O)(c1ccc(Cl)s1)N1CCCOC(CF)C1
O=C(NC12CCC(C1)OC2)c1ccc(Br)o1
COc1cc(CNC(=O)C2(F)CCC2)ccc1C(=O)O
CCCn1ccnc1C(F)(F)C(=O)Nc1ccncn1
CCn1cnnc1NC(=O)CCC(=O)c1ccncc1
COCCN(Cc1ccc(F)c(Cl)c1)c1ccnc(N)n1
CCc1ccc(CNC(=O)Cc2nn(C)cc2Br)nc1
CC(C)(C)OCC(=O)N1CCCC(CN2CCCC2)C1
CCCc1cc(C(=O)NCC23CCC(C2)C(=O)N3)c(C)o1
Cn1nc(NC(=O)C2(CF)CCOCC2)n(C)c1=O
CSc1cc(CNC(=O)CC2CN3CCC2CC3)ccn1
CC(=O)N1CCC(NC(=O)c2scnc2C(F)(F)F)C1
COCCC1(C(=O)NC2CCC2(C)C)CCN(C)CC1