Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CCCCCCCCC=CCCC=CC1CC(C(O)(CC(=O)OC(C(=O)OC)C(CC(=O)OC)C(=O)OC)C(=O)OC)C(=O)O1
[NH3+]C(CCl)C(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)Cc3cccs3)C2SC1
C#CC(C)(C)NC(=O)NCC1(C(=O)[O-])CCC1
CC(C)c1ccc(C(C)[NH+](C)C(C)(C)C(=O)[O-])cc1
CC(Sc1ccc(NC(=O)C(=Cc2cccc(Br)c2)NC(=O)c2ccccc2)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(C(=O)c4cccc(C(F)(F)F)c4)C3)nc12
O=C(NC1CCOC2(CCC2)C1)c1cccc(N2CCCNC2=O)c1
O=C(Cc1ccc2c(c1)OCCO2)NCCN1CCc2ccccc21
CC1(C)CC(NC(=S)N(Cc2ccccc2)C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1
CCc1ccc(C[NH+](C)Cc2cc(N)ccc2OC)cc1
C(=Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1)CCN=Cc1ccccc1
CCCNc1ncnc(NCc2ccncc2C)c1Br
CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2nc(c3ccc(C(C)C)cc3)no2)c1
Cc1nc(c2sc(N)cc2C)n(C)n1
COc1ccc(c2oc3c(OC)c(OC)c(O)c([O-])c3c(=O)c2OS(=O)(=O)c2ccc(C)cc2)cc1
CC(c1nc(Cc2cccnc2)no1)N1CC[NH2+]CC1
C=CCSc1nnc(NC(=O)CCNC(=O)c2ccccc2Cl)s1
CCC(CCl)NS(=O)(=O)c1ccc(C)c(C)c1
CCOc1ccc(N2C(=O)CC(N(C3CCCCC3)S(=O)(=O)c3ccc(NC(C)=O)cc3)C2=O)cc1
COC(=O)c1ccc(CN2C(=O)NC(=Cc3cc(C)n(c4ccccc4F)c3C)C2=O)o1
CC(C)Oc1ccc(NC(=O)C2(C(=O)NCc3ccccc3F)CC2)cc1
Cc1nn(c2ccccc2)c2ncc(S(=O)(=O)N3CCCC(C)(F)C3)cc12
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1
O=C(CCc1cccc(F)c1F)N1CC[NH2+]CC1c1cccc(Cl)c1
Cc1ccc(C(=O)[O-])cc1OCC(=O)N(C)C1CC1
CC(Cl)C(=O)c1c(Br)cccc1CF
Cc1ccc(OCCSc2nnc(c3ccncc3)n2c2ccccc2C)cc1
Cc1ccc(Br)cc1n1c(C(C)Cl)nc2ccc(Br)cc21
O=C1NCC2C1CCCN2C(=O)NCCS(=O)(=O)NCc1ccccc1
CSc1ccc(C=CC(=O)N2CCC(C(=O)NC(CNC(=O)Cc3ccc(Cl)cc3)C(=O)[O-])CC2)c(Cl)c1Cl
Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nnc(c4cc(C)ccc4C)o3)C2)cc1
CCCN(CCC)c1nc(NCC)nc2sccc12
CC1CCN(C(=O)C2Sc3ccc(S(=O)(=O)Nc4cccc5c4CCCC5)cc3NC2=O)CC1
CSCCC([NH3+])C(=O)NC(C)C(=O)NCC(C)C
CON1CCC2(CC1)C(=O)C(Cl)(c1c(C)ccc(c3ccc(Cl)cc3)c1C)C(=O)N2C
COc1cccc2nc(c3ccc(N4C(C)CCC4C)nc3)n(Cc3cc4n(n3)CC[NH2+]C4)c12
Clc1ccccc1Nc1cnnc(N2CCCc3ccccc32)n1
C#CCNC(=O)NCC1CC[NH+](C2CC2)C1
COCC(=O)N1Cc2cnc(Cc3ccc(OC)cc3)nc2C1
CC1CCC[NH+]1CCN1CCc2cc(c3ccc(C(=O)N4CCOCC4)cc3)ccc2C1=O
CNC(C#N)(CN(C)C1CCCCC1C)C1CC1
Cc1ccc(C)c(OCC(=O)NC2CCN(C(=O)N3CCCCCC3)CC2)c1
CCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)c1ccc(CNNC)cc1
CC1(C)CC2(CC(C)(c3csc(N)n3)OC2=O)C(=O)O1
Cc1[nH][n+](c2ccccc2)c(Oc2ccc(F)cc2)c1C=NN=C(N)N
Cc1cc(C([NH3+])c2ccc(C)c(C)c2)c(C2CC2)o1
CCCc1nnsc1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1
CC(C)c1ccc(NC(=S)OCCNC(=O)c2ccccc2C(=O)[O-])cc1
NC(=O)c1ccc(C#CCNC(=O)Nc2c(F)cccc2F)cc1
C=CC=C(C=C(C)Cc1ccc(CCCO)c(OCCOC(=O)C(=C)C)c1)c1ccc(C)cc1
COc1ccc2ncc(=O)n(CC[NH+]3CCC([NH2+]Cc4cc5c(nn4)OCCO5)CC3)c2n1
CCCCOc1ccc(CC(NC(=O)C(=O)c2ccccc2)c2nc(C=C(C)C=C(C)C(=O)OCC)cs2)cc1
O=S1(=O)C(c2ccccc2)=C(c2ccccc2)S(=O)(=O)C1(Cc1ccccc1)Cc1ccccc1
CC(O)(CO)C[NH2+]C1CCCCc2ccccc21
Cc1nc(COC(=O)c2c(C)c3ccccc3oc2=O)sc1C
CCCCc1cc(=O)oc2c3c(cc(OCC(=O)N4CC5CC(C4)C4CCCC(=O)N4C5)c12)OC(C)(C)CC3
O=C(NCCc1ccc(Cl)cc1Cl)c1ccoc1Cl
C[NH+](C)C1CCCN(C(=O)c2c[nH]c3ccc(N)cc23)C1
Cc1cccc(NC(=O)c2ccc(Br)cn2)n1
COc1cc(C2C[N+]2(C)C)c([N+](=O)[O-])cc1F
Oc1ccc2c(c1)CCC1(CC[NH2+]CC1)O2
CCNc1ncc(F)c(NCCn2cc(C)cn2)n1
CCN(CCOC)C(=O)Nc1ccc(C(=O)[O-])cc1Cl
CC(OC(C)(C)C)C([NH3+])C(=O)N(C)CC(=O)[O-]
CC(C)c1ccccc1Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)nn1
NC(=S)c1cccc(NC(=O)c2ncccc2Br)c1
O=C(NC(Cc1ccccc1)c1ccccc1)c1ccc(CS(=O)(=O)c2ccccc2)o1
CC(C)(C)c1cc2c(=O)[nH]c(C3CCCS3)nc2s1
CCCCCCC=CCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC[NH3+]
Cc1cc(NC(=O)CSc2nccn2C)on1
CC(=O)C(C)C(O)CCCF
COc1ccc(C2N(c3ccccc3)C(=O)C2(C)C)cc1
O=C1c2ccsc2C(=O)c2c(Cl)ccc(Cl)c21
CCn1c(C2CC2)nn(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1=S
Cc1coc(CC2(O)CCCS(=O)(=O)C2)c1
CC(NC(=O)c1cccnc1Cl)c1nncn1C
CC(C)(C)c1csc(COc2ccc(F)cc2CBr)n1
CNC(=O)c1cc(OC)c(Nc2ncc(C(F)(F)F)c(NC3Cc4ccccc4C3C)n2)cc1F
COc1ccc(C(=O)CSc2ccc(NC(=O)c3ccco3)cc2)cc1
CC(NC(=S)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc21
[NH3+]CC(OCC1CCCC1)c1ccc(F)cc1
N#Cc1ccc(NC2C3C[NH2+]CC32)cc1C(F)(F)F
CCOc1cc(C2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)ccc1OCc1ccccc1Cl
O=[N+]([O-])c1ccc(CC[NH+]2CCC3(c4cccc(O)c4)CCCC2C3O)cc1
CCCC(Cc1nc(c2ccc[nH]2)no1)[NH2+]C
Cc1ccc(C=CC(=O)N2CCCC(NC(=O)COc3ccccc3Cl)C2)cc1
Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC=C(n2c(C)nc(=O)c3ccccc32)CC1
CN(C)c1ccc(c2nc(=O)c(Br)c(C3CC3)[nH]2)cc1
Cn1nccc1C=CC(=O)N1CC[NH+](CC(C)(C)O)CC1
Cn1nccc1CNC(=O)CCc1cc(F)ccc1Br
COCC([NH2+]C(CSC(C)(C)C)C1CC1)c1ccc(Cl)cc1
C[NH2+]Cc1cnn(c2ccc(C(F)(F)F)cn2)c1C1CC1
O=C([O-])CC1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCCC1
Cc1cc(NN=Cc2cc(Br)ccc2O)nc2ccccc12
COc1ccc(c2cc(C(=O)Nc3ccccc3)on2)cc1
Cc1c(N)cnc(OCC[NH+](C)C)c1Br
COC(c1ccc(Cn2cc(c3cccnc3N)cn2)cc1)C1CC1
Cc1ccc(NC(C)C(F)F)cn1
CC[NH+](CC)CCCC1CCc2ccc3c(c2-c2cc(C(C)=O)sc21)CCC3O