Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CC1SCCC1(O)Cc1cc(Cl)cc2c1OCC2
Cc1cc(Br)c(C(Br)c2sccc2Br)cc1Br
C=CCCn1ccc(=O)[nH]c1=O
CCc1cccc(OCC(C)(C)C[NH2+]C2CC2)c1
COc1ccc2nc(c3ccc(NC(=O)c4ccc(N)cc4)cc3)sc2c1
CCN(CCCO)c1nc(NN)nc(n2cncn2)n1
CC(C)(C)c1ccccc1Oc1ccc(C=NO)cc1
CC1SCC(C(=O)[O-])N1C(=O)NCCC1=CCCCC1
O=C(Nc1ccccc1[S-])C(=O)Nc1ccccc1[S-]
C=C1CC(S(=O)(=O)c2cc(C(=O)Nc3cc(F)c(F)c(F)c3)ccc2Cl)CC(C)C1(O)c1nccs1
Cc1ccccc1C1(O)CCN(C(=O)c2sc(N3CCC(N4CCc5ccccc5NC4=O)CC3)nc2C)CC1
OC1(c2noc(N3C=[NH+]C4c5ccccc5-n5c(c[nH+]c5Cl)N43)n2)CCCC1
CCCCc1ccc(Cc2c(CC)nn3c(C)cc(C)nc23)cc1
O=c1nc2c(c3ccccn3)c[nH]n2c([O-])c1Cc1ccccc1
COc1ccc(F)cc1C=C1N=C(CCc2ccc(Cl)cc2)OC1=O
Nc1cc(C(F)(F)F)c(F)cc1SC(F)(F)F
CCC1CCCN(C2(C[NH3+])CC[NH+](C3CC3)C2)CC1
COc1ccccc1CC(=O)Nc1ccc2ccccc2n1
Cc1ccc(OCC(=O)N2CC3CCC(C2)N(C)C3=O)cc1C
COc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(F)cc(F)cc3s2)cc1
Nc1cn[nH]c1c1nc2ccc(C(=O)N3CCOCC3)cc2[nH]1
COOc1ccc([S-])cc1
O=C(Cc1ccc(F)cc1Cl)NC1CC[NH+](CC2CCCO2)CC1
COc1cccc(CCNC(=O)C2CC(=O)N(c3ccc(F)c(F)c3F)C2)c1
N#Cc1ccc(Nc2ccc(C(=O)Nc3c(Cl)cccc3Cl)nn2)cc1
COc1cc(OC)c(NC(=O)c2ccc(F)cc2I)cc1Cl
CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1CCCOC
O=C(CCCc1ccc(Cl)cc1)Oc1ccc2c(c1)CCCC2
CCCC(C)CC(=O)C1(C[NH3+])CCCC1
CC(C)(C)CC(CO)NC(=O)C1CCCN(CC(F)(F)F)C1
Cn1cc(S(=O)(=O)NC2(CO)CCOCC2)c(N)n1
CN(Cc1cccc(Br)c1)C(=O)NC(=O)CCCl
Cc1c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3cc(F)ccc3F)CC2)cccc1C(=O)N1CCOCC1
CC(CCC(=O)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
CN(CCc1ccccn1)C(=O)CNc1ncncc1Cl
CC(C)CC(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cc(Br)ccc1OC(C)C
CCOC(=O)CNc1c(N)[nH]c(=O)n(C)c1=O
O=C(CCCc1ccc(Cl)c(Cl)c1)NCC1(CO)CC1
CC(=O)c1cccnc1N1CCN(C)C(=O)C1
NS(=O)(=O)c1ccc(n2nc3c(c2c2cccs2)Cc2ccccc2-3)cc1
CC(C)(C)c1nc(C(=O)N2CCN(C=O)CC2)c2ccccn12
N#CC(=Cc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(F)cc1
C1=CCCCCC2C[NH+]3CCCCC=CCCCCC4CC(C[NH+](CCCCCC1)C4)C2CC3
O=C(NCCC1CCCCC1)c1c(O)cccc1O
CCc1sc2ncnc(Cl)c2c1c1ccc(C)cc1
Cc1c(C=CC(=O)c2ccc(c3ccccc3)cc2)cc(C#N)n1C
Cn1c(S(=O)(=O)Oc2ccc(C(=O)c3ccccc3)cc2)c[nH+]c1Cl
CC(C)CCc1n[nH]c(=O)o1
CNC(=O)C[NH2+]CCc1ccccc1[N+](=O)[O-]
Cc1nn(C)c(C)c1C(O)c1ccncc1F
CCC(C)CCC([NH2+]C)=C(C)C
CCOC(=O)c1c(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)scc1c1ccccc1
CCSc1nc(NC(C)C)c2cnn(CCNC(=O)c3cn(CC)c4nc(C)ccc4c3=O)c2n1
Cc1ccc(OCCSc2nnnn2c2c(C)n(C)n(c3ccccc3)c2=O)cc1
O=C(Nc1ccncc1)N1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1
CCOC(=O)c1ccc(NCCCCCCCCCCC(=O)CCCC(C)(C)C)cc1
Cc1ccc(CN2CC3CC3([NH3+])C2)s1
C#CC[NH2+]CCOC(=O)N1CCN(CC[NH+]2C=CC(=O)C(=O)C2C)CC1
CCC([NH2+]Cc1cn(C)nc1C)c1ccc(Cl)c(Cl)c1
CCCNc1ccc(C)cc1C(=O)NCC(C)(C)C
CCCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1
NC(=S)c1ccc(OCc2ccccc2)c(F)c1
CCCCOCCC[NH+]=C(NCC)NC1CCN(c2cccs2)CC1
CC1CCN(C(=O)N2CCS(=O)(=O)C3CCCCC32)CC1
NC(=O)C1(COC2=NC3=[NH+]C(c4ccc(C5([NH3+])CCC5)cc4)C(C4C=CC=CC4)N3C=C2)CC1
CCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CC[NH+](CCOC(F)(F)F)CC2)o1
Cc1cc(C(=O)CS(=O)(=O)C2CC[NH2+]CC2)ccc1F
C[NH+]1CCC23c4c5ccc(N)c4OC2C(O[Si](C)(C)C(C)(C)C)C=CC3C1C5
CCOC(=O)c1c(NC(=O)COC(=O)c2cc(=O)[nH]c(=O)[nH]2)scc1c1ccccc1Cl
CCCC(O)Cc1nc(C2CCc3ccccc3C2)no1
Cc1ccc(C2C([NH3+])CCCC(=O)N2C(C)C)cc1Cl
CC(C)(C)N1CC(CC(=O)[O-])[NH2+]CC1=O
Cn1ccnc(Oc2cccc(C(=O)[O-])c2)c1=O
CC([NH3+])Cc1cccc(F)c1OCC(=O)NCC#N
Cc1ccccc1C(=O)NCc1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1
C[NH+](C(O)CCCCCCCCC([NH3+])O)C1CC(C)(C)[NH+](C)C(C)(C)C1
Cc1ccc(C2(c3ccc(C)cc3)CC(N3C(C)(C)c4cc(C)ccc4S3(=O)=O)=Nc3ccc(C(F)(F)F)cc32)cc1
CC1(c2ccccc2)CCCN(c2ccc(C(=O)Nc3nncs3)cn2)C1
[NH3+]C1CCCCC1NC(=O)CCn1cccn1
CCCC1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1C(=O)Nc1cc(Cl)ccc1OC
CNc1nc(NCc2ccccc2)ncc1F
CCOC(=O)c1ccc(NC(=O)C[NH+](CC)CC(=O)Nc2cc(Cl)ccc2Cl)cc1
CC1(CC[NH3+])CCC(C)(C2CCC2)O1
c1ccc(CNc2nc(N3CCc4ccccc4C3)nc3c2ncn3C2CCCCC2)cc1
COC(C)(C)C(=O)N(CC[NH3+])C(C)C
C#CC1CCC(C23OCC(CCC)(CO2)C(C#N)O3)CC1
Cc1ccc(CN2C(=O)N(Cc3ccc4c(cnn4COCC[Si](C)(C)C)c3)C(Cc3ccccc3)C3OC(C)(C)OC3C2Cc2ccccc2)cc1[N+](=O)[O-]
CC(C)(C)NC(=O)C1CC(c2cccn2C(=O)OC(C)(C)C)C(=O)O1
O=S1(=O)CCC(CSCc2nnnn2C2CC2)C1
CC(C)([NH3+])C(C)(CC(=O)[O-])c1cncc(F)c1
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2ccc(OCC)cc2)cc1
CCOC(=O)C(C(=C(O)OCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C#N)(C(C)=O)c1ccccc1
O=C(CNC(=O)c1ccc(Cl)cc1)OCCSc1ccccc1F
COC(=O)CCCC(=O)NNC(=O)c1cc(Cl)ccc1O
CCCC(=O)C([NH3+])(CC)CC
CCSc1nnc(NC(=O)C(C)OCC(F)(F)F)s1
COc1cccc(COC(C)C(=O)N(Cc2ccco2)c2ccc(F)cc2F)c1
COC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl
O=C(N=Nc1c(O)[nH]c2ccc(I)cc12)c1cccs1
CCOc1cc(C=C2NC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1OCc1ccccc1