Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CC(C)C1(C(=O)Nc2ccc(F)c(F)c2)CC[NH2+]C1
C=CCCCCOC(=O)C1C2C(=O)N(C(CO)C(C)CC)C(C(=O)N(CC=C)C(C)(C)C)C23CCC1(C)O3
CCCCNC(=O)C(CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1
CCOc1cccc(C(Nc2ccc(CNC(=O)OC(C)(C)C)c(Cl)c2)C(=O)[O-])c1
CCN(CC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1C
Cc1cccnc1C(NC(=O)c1ccnn1C1CCCC1)C(C)C
COC(=O)CCNC(=O)Nc1ccccc1C(C)(C)C
O=C(Cc1ccc2ccccc2c1)NC(Cc1cccc(F)c1)C(=O)[O-]
O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCCC(CO)C1
COCCOCCOCCOCCOCCOc1cccc2c(OCC(=O)C(C(=O)C([NH3+])C(C)O)(C3CCCCC3)C([NH3+])C(O)C(O)C(C(=O)c3ccc4c(c3)CC(O)C4[NH3+])C(C)C)cccc12
CC1(C(N)=O)CCC(n2c(Nc3c(F)cc(F)cc3Cl)nc3cnc(NC4CCCC(O)C4)nc32)CC1
CCc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1
CCCC(C)CCCC(C)CCI
Cn1c(NC(=O)C2CCCN2C(=O)C2CCCCC2)nc2cc(Cl)ccc21
C#CC(c1cccc2ccccc12)C(C#C)c1cccc2ccccc12
COc1cc(OC)c(Cl)c(c2cc3cnc(N)nc3n(CCC[NH+]3CCN(C(=O)C=C(C)C)CC3)c2=O)c1Cl
CCCCCCC(C)[NH2+]C(C)c1ccc(F)c(F)c1
Cn1nc(NC(=O)c2ccccc2)c2cnc3[nH]cnc1c32
CCCCCCCCc1cccc(S(=O)(=O)N(C)C)c1C
Cc1ccc(NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3C)CC2)c(F)c1
CCCCCSc1nnc(c2cccnc2)n1N
CCc1ccc(CC(O)c2snnc2C(C)(C)C)s1
C=C(OC(=C)C(C)OC)c1cccc(C)c1
O=C(CCc1ccc(Cl)cc1)N1CCOC2(CCc3ccccc32)C1
O=Cc1ccc(N2CC[NH2+]C(c3ncccc3C#Cc3cnccn3)C2)cc1C(F)(F)F
O=C(CCc1cccs1)N1CCOC(c2ccccc2Cl)C1
CC1NC(=O)CCC=CCN(c2ccccc2Cl)C(=O)C2N(C(CO)c3ccccc3)C(=O)C3C(C(=O)OC1c1ccccc1)C1C=CC32O1
COc1ccc(C(=O)Nc2ccc3c(c2)c(CC(=O)NCC[NH+](C)C)c(C)n3C(=O)c2ccc(Br)cc2)cc1
CCCNc1cc(Sc2nc(C)cc(C)n2)nc(C)n1
O=C(Cn1c(=O)c2sccc2n(Cc2ccc(F)cc2)c1=O)Nc1ccc(F)cc1
O=C1NC(=O)C(=CBr)N1
CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(C)(F)F
CCc1nn(CCC2CCCO2)c(CC)c1CC(C)[NH3+]
Nc1sc(c2cccs2)nc1c1ccc(Cl)cc1
CC1(C)OCC(CCCCNC(=O)OCc2ccccc2)O1
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C
C[NH+]=C(N)CCCSC1CC(=O)N(C)C1=O
COC(=O)CCCCCNC(=O)c1ccc(Cl)o1
Cc1cc(C)n(c2ccc(C(=O)OCc3sc(C)nc3C)cc2)n1
[NH3+]C(c1ccc(F)cc1Br)c1cccc(Br)c1F
CN(C)C(=O)NCCNS(=O)(=O)CCCCl
CCNc1nc(CC)nc(NC2CC[NH+](C3CC3)C2)c1C
Cc1cccc(C)c1NC(=O)CS(=O)CC(=O)N1CCCc2ccccc21
CCCNC(=O)c1cc(Cl)ccc1NC(=O)C1CCCN1C(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3ccccc3C)c2C)CC1
NC(=O)C1([NH3+])CCCC1CCSc1cccc(F)c1
CC(C)CC[NH+](C)CC(=O)Nc1cc(N)ccc1Cl
CCOc1ccc(OCC)c(NC(=O)c2ccc3ccccc3c2)c1
CN(c1cccnc1)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]
[C-]#[N+]C1=CC2(C)C3=CC(=O)C4C5CC(C)(C)CCC5(NC(=O)CC(F)(F)F)CCC4(C)C3(C)CCC2C(C)(C)C1=O
CCOCCOC(=O)CS(=O)Cc1ccc(C(C)(C)C)cc1
CC(C)Oc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncn1
CCS(=O)(=O)C1CC(C)CCC1C#N
Cc1csc(SCc2cc(N)cc[nH+]2)n1
Cc1sc2cc(CCl)ccc2c1N
C=CC(C#C[Si](CC)(CC)CC)(C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC
Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cccc(N(C)C)c1
S=c1n(c2ccccc2)c(=S)n(c2ccccc2)c(=S)n1c1ccccc1
COCOC1CN2OC3(CC2C1OCOC)OC(OC)C1OC(C)(C)OC13
FC(F)(F)CCN1CCCC(c2ccnc(C=Cc3nc4ccc(C5=CCCN=C5)cc4s3)c2)CC1
CCc1cccc(CC)c1Nc1nc2c(C)cccc2s1
O=C(CN1C(=O)C(=Cc2cccc(Cl)c2)Sc2ccccc21)NCC[NH+]1CCN(c2ccccc2)CC1
CCOC(=O)C(C)(C#N)c1nccn2nc(C)cc12
[NH3+]CCCC1CCCCC(=O)C([NH3+])CSS1
Cc1cc(C(=O)NCCNC(=O)c2ccc(OC3CCC(C(=O)[O-])CC3)cc2)ccc1OCC1CCC1
COc1cccc(c2cc(C(F)(F)F)ccc2NC(=O)C2=C([O-])C3(C)CCCN3N(Cc3ccc(C#CCOCCOCCO)c(F)c3F)C2=O)c1OC
CC([NH3+])(C(=O)[O-])c1cc(Br)cnc1Cl
CN(C(=O)C[NH+](C)C)c1ccc(O)cc1
CCOC(=O)OCC1C(CO)NC(=O)C1CCOCc1ccccc1
COc1cccc(CN(C(=O)CC(C)(C)C)C2CC(C(=O)N3CC[NH2+]CC3)[NH+](Cc3ccc4c(c3)OCO4)C2)c1
CCOC(=O)c1ccc(OC(F)(F)F)cc1NC
CCCCCCCCCCCCCC(=O)C(O)CCCCCCCCCCCCC
BrCc1ccc2c(c1)-c1cc(CBr)ccc1OCCOCCOCCOCCO2
CC(O)CC(C)CNC(=O)Nc1ccc(Br)nc1
Cc1nc(C(=O)NC2CCCCC2)cc(N(Cc2ccccc2)C(C)C)n1
CCN(CC(C)C(=O)[O-])C(=O)N(C)CCCCCO
Brc1cccc(c2nc3ccccc3c3c2ccc2c4ccccc4n(c4ccccc4)c23)c1
CC(C)(CS(C)(=O)=O)N=C=S
C1CCC2C(C1)[NH2+]C1CCC3C(CCC4CC[NH2+]C43)C12
CN(C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)C1CCCCCCC1
CC#CCOc1cc(C)ccc1C(C)O
COc1ccc(CCC(C)Nc2cccc(Cl)n2)cc1
Cc1ccc(S(=O)(=O)N(CCCC(=O)[O-])C(=O)C2(NC(N)=O)c3ccccc3N(CCCS(=O)(=O)[O-])c3ccccc32)cc1
CCN(CC1CCCCC1)C(=O)c1cc(C[NH+]2CCC(O)CC2)on1
CC(=O)Nc1ccc(C2=C([NH+](C)CCO)C(=O)N(C3CCCCC3)C2=O)cc1
CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccs3)sc2c1
CCCCCc1ccc(c2ccc(C(=O)Oc3ccc(CC(C)CC)cc3C#N)cc2)cc1
CN(c1ccccc1NC(=O)NC1CCCc2cn[nH]c21)C1CCCC1
CC(C)c1nc(Cl)cc(c2cc3cccc(F)c3o2)n1
Nc1cc(C(=O)NCc2cccs2)ccc1Br
CCOc1cc(C=NNC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1
O=c1sc(C=c2cccc3c2=CC=N3)c([O-])n1Cc1ccc(C(F)(F)F)cc1C(F)(F)F
O=c1c2ccc(Cl)cc2nc2cc3nc4ccccc4c-3[nH]n12
CCc1ccc(CCC(=O)NCC(C)C)cc1
CCC1CN2CCCCC2C[NH+]1C1(C)CCOC1
COc1ccc2c(c1)C1(CC3(CCCO)NC(=O)NC3=O)CC[NH+](CCF)C(C2)C1
CCC(C)C1CN(CC2(CC)CCCC2)CCC[NH2+]1
CCC(=O)Nc1nc2ccc(CC(=O)NCc3cccc(Cl)c3)cc2s1
COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C
CC1CCCN(c2cncc(C[NH3+])n2)CC1
CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1