Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
Cc1cccc2c1CCCC(C)(C)N2
CCC(C)C1OC2(CCCC(CC=C(C)C(O)C(C)C=CC=C(C)c3cc(O)c(C)cc3C(=O)[O-])O2)CC(O)C1C
CC(C)CCS(=O)(=O)NC1COCC1(C)C(=O)[O-]
CC1(C)CCCN(C(=O)c2ccc(C=CC(=O)[O-])s2)CC1
Cc1nn(c2ccc(N)c(C#N)n2)cc1Cl
COc1ccc(CN2C(=O)CC(CC#N)c3cc(C)cc(C)c32)cc1
COc1c(F)c(C(O)C#N)cc(C)c1Br
Cc1c(F)cc(F)c2c1OCC(N(C(=O)[O-])C(C)(C)C)C(=O)N2
CCn1cnnc1CNc1ccnc(NC)n1
Cc1ccccc1CSC(C)C(=O)NCCc1cccs1
CC1C(=O)NC(=O)CN1C(=O)CC1CC1
O=C(c1ccccc1C(F)(F)F)N1CCOCC1CO
Cc1nc2cc3nn2c(c1C(OC(C)(C)C)C(=O)[O-])N1CCC(C)(CC1)OCC=CCc1ccccc1Cc1cnc-3s1
CC(C)(C)c1cc(Br)c(N)cn1
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)NC(C(=O)NCCS(=O)(=O)[O-])c3ccc(O)cc3)cc2S(=O)(=O)C1
Cc1cccc(NCC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
CC1CC(C)CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1
Cc1ccc(c2nnc(CCC[NH2+]C3CC3)s2)cc1F
CC(=O)C1=C(C)C(C(C)C)C2(C)CC3(C)Cc4c(c(O)c(C[NH3+])cc4c4cccc([N+](=O)[O-])c4)C([O-])=C3C(=O)C2(O)C1=O
CS(=O)(=O)CCSCCCN=[N+]=[N-]
CCCOc1ccc(C=CC(=O)Nc2ccc(OCC#N)cc2)cc1OCC
CCC[NH2+]C(C)c1cccc(N2CCCCC2)c1
CC(=O)Nc1cc(NCc2cccc(Cl)c2O)ccc1F
CCc1nc(CCNC(NCc2ccccc2)=[NH+]C)sc1C
CN(CCNC(=O)NC(C)(C)C)CC(O)C(F)(F)F
CC1CC(C[NH3+])C[NH+]1CC1CCC2(CCCC2)O1
CC(C)(NC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C([NH+](C)C)C2O)C(CCOc2ccc(c3ccccc3)cc2)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1OC
CC(C)CN1CC(C(=O)NCC2CC2)CC1=O
C=C[NH+](C)Cc1ccc(c2nnc(c3ccc(OC)cc3)o2)cc1
C[NH+]=C(NCc1ccc(C(N)=O)o1)NCc1ccc(C)cc1C
CC(C)c1ccc(C[NH+]2CC3c4ccccc4C(NC(=O)C4CC(O)C4)C3C2)cc1
COC1CCCC1C1COCCN1C(=O)CC(NC(N)=O)c1cccs1
CCN(CC)c1ccc(N2C(=O)C(=O)C(=C([O-])c3cc(Cl)ccc3OC)C2c2ccc(C(C)C)cc2)cc1
COC(=O)c1ccc(N(c2ccc(N(c3ccc(c4ccc(N(c5ccc(N(c6ccc(C(=O)OC)cc6)c6cccc7ccccc67)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1
Clc1cc2c(s1)CCC2[NH2+]Cc1ccoc1
CCCCC(=O)C(=Cc1ccc(Br)cc1)C(=O)[O-]
CC1(C)CCCN(c2c(F)cc(C#N)cc2F)C1C(=O)[O-]
c1cnn(c2ccc(NC3CCC[NH2+]C3)cc2)n1
O=C(Cn1nnc(c2ccccc2)n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
C=C(Cn1c(C)ccc1C)C(=O)OC
COc1cc(C)c(C([O-])=C2C(=O)C(=O)N(Cc3ccc(C(=O)[O-])cc3)C2c2ccc(C(C)(C)C)cc2)cc1C
Cc1occc1C(=O)N1CC2CCCC(C1)[NH2+]2
FCC1CC[NH+]([N+]23C=C(c4c(F)cccc4Cl)C(Cl)=NC2=NC=N3)CC1
CC1COCCN(CC(F)(F)CN)C1
N#Cc1ccc(CNc2cncnc2)cc1
O=C(COC(=O)c1ccccc1CCc1ccccc1)Nc1ccc2c(c1)OCO2
Cc1nc(NC(=O)CSc2nnc(c3ccc(C(C)(C)C)cc3)n2C)sc1C(=O)N(C)C
CC[NH+]1CCN(c2c(C[NH+](CCOC)Cc3cccc(OC)c3)c(C)nn2c2ccc(F)cc2)CC1
COc1ccc(Cl)cc1NC(=O)CSc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2C(=O)[O-])c1
CNS(=O)(=O)c1cc(C(=O)Nc2cnc(C)c(c3ccc(C(=O)NC4CCC(F)(F)CC4)cc3)c2)cc(C(C)(C)C)c1
O=C(Nc1ccncc1NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
CCCCOC(=O)COCC[NH2+]C
Cc1cc(F)c(C(C)[NH2+]C(C)c2cccc(Br)c2)cc1F
COc1ccc(NC(=O)CN2C(=O)CC(c3ccc(C)cc3)=Nc3cccnc32)cc1Cl
CC(C)(C)c1ccc(OCC(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1
C[NH+]1CCN(C(=O)Cn2cn[nH]c2=O)CC1
CNc1[nH+]c(C)cn1CCc1ccncc1
CCC(Sc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
Cc1cc(NC2CCCN(c3ccc(C#N)cc3F)C2)nc(C)n1
C[NH2+]C(c1cccnc1)c1ccc(Br)c(F)c1
CC(=O)CC(=O)OCOC(=O)CC(C)=O
CC12C(=O)N(c3ccc(C(=O)N4CCOCC4)cc3)C(=O)C1C1c3ccccc3C2c2ccccc21
NC(=O)C(CCCC[NH3+])NC(=O)C(CCCC[NH3+])NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCC[NH3+])NC(=O)C(CCCC[NH3+])NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCC[NH3+])NC(=O)C(CCCC[NH3+])NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCC[NH3+])NC(=O)C([NH3+])CCCC[NH3+]
Cc1cnc2[nH+]c(C(C)N)cn2c1
C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1O
COC1(CSC)C(=O)C(=O)C2C(C)(C)CCC3OC(=O)C1C32C
Nc1cnc2c(c3cccc(Cl)c3)nnn2c1
Cc1cc(N)ccc1NC(=O)COCC1CCOCC1
Cc1csc(COC(=O)c2sccc2N)n1
COc1ccccc1C(=O)CC1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21
Cn1c(=O)c2c(nc(N3CCC[NH2+]CC3)n2Cc2ccccc2Cl)n(C)c1=O
CCCCc1nc2cc(c3ccccn3)c(C)cc2n1CCC[NH+]1CCC(c2cccc(NC(C)=O)c2)CC1
CC(C)Oc1ccccc1C(=O)c1ccc(Cl)c(Br)c1
[NH3+]CC1COC(Cc2ccc(O)cc2)O1
N#Cc1cccc(OCC(O)C[NH2+]C2(CO)CCC2)c1
C[NH2+]Cc1ccc(F)c(S(=O)(=O)NCc2ccc(Cl)s2)c1
CCN(CCC[NH+](C)C)C(c1ccc(Cl)s1)C(C)[NH3+]
CCC(C#N)c1cc(OC)c(C)cc1Br
O=C(Nc1cc(Br)ccc1N1CCOCC1)C1CCOC1
COc1ccccc1C1CC(C)CC[NH+]1Cc1cnc(N2CC[NH+](C)CC2)nc1
C[Sn](C)(C)N(SSN(S(=O)(=O)C(F)(F)F)[Sn](C)(C)C)S(=O)(=O)C(F)(F)F
CSC1(C(N)=[NH+]O)CC[NH+](Cc2ncccc2C)CC1
Cc1cc2ncc(CCCNC(=O)c3ccc4[nH]ccc4c3)cn2n1
CCNC(NC1CCN(c2ccccc2OC)C1)=[NH+]CC1CC[NH+](CCOC)CC1
CCn1nccc1CNC(=O)CCn1nc([N+](=O)[O-])cc1C
CC([NH3+])CC[NH+]1CCN(C)C(=O)C1
CCc1cc(N)c(N)cc1C(C)(C)[NH+](C)CC
N#Cc1ccccc1OC1CCC(NC(=O)CN2CCOCC2=O)CC1
CCC1CSC(CCc2ccccc2)(Cn2ccnc2)S1
Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CC#N)cc1
O=C1c2ccccc2C(=O)N1CCc1nnc(c2cccc(Br)c2)o1
Clc1ccc(c2noc(c3cnn4c(c5cccs5)ccnc34)n2)c(Cl)c1
CCOC(=O)c1c(C)c(Nc2ccccc2)c(N2CCCC2)cc1c1ccccc1
CN(C(=O)CSc1nnc(C2CC2)n1N)c1ccccc1C(=O)NCc1ccco1
CC=CCOCc1ccc(C[NH2+]C(C)C)s1
O=C(Cc1ccc(F)c(Cl)c1)CC1CCCCO1
Fc1cc(F)c(F)c(Cn2ccc(NC(=S)Nc3cnn(Cc4cccc(Cl)c4)c3)n2)c1F
CC(C)C(C)(CC(=O)NCc1ccn(C)n1)C(=O)[O-]
CC(=O)N1CCN(c2nsnc2NCCSCc2ccc(CC[NH+](C)C)o2)CC1