Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
c1ccc(c2cc(c3ccc(n4c5ccccc5c5cc6c7ccc8c9ccccc9sc8c7n(c7ccccc7)c6cc54)cc3)nc3ccccc32)cc1
O=C1NC2(CC[NH2+]CC2)C(=O)N1CCCn1cncn1
CC(=O)c1cccc(OC(C)C(=O)NC2CCCC2)c1
CC(C)(C)C1CCC(O)C(C[NH+]2CCCC3CCCC32)C1
c1ccc2oc(C3CCC[NH+](C4CCSCC4)C3)nc2c1
CCOc1ccc(n2c([O-])c(C=Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c3ccccc3c2=O)cc1
CCCNC(=O)C(CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc(c3ccco3)o2)c(C)c1
Cc1ccc(OCCCCn2ccnn2)cc1
CC(C)[NH+]1CCN(C(=O)c2cccc3c2CCCN3)CC1
N#CCCCC(C(N)=O)c1ccccc1
CC1CN(c2nc3[nH][nH]cc-3c(=O)n2)CCN1C(=O)OC(C)(C)C
COCOCc1cc(C)c(C(=O)OC)c2oc(=O)c3cc4c(OC)c(Cl)cc(OC)c4c(O)c3c12
CC(=O)N(CCC(=O)Nc1cccc(C)c1C)c1c(C)cc(C)cc1Cl
Cc1cccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1N
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C=CC2=Cc3cc(Cl)ccc3OC2)c1
CN(c1ccc(OCc2nnnn2C2CC2)cc1)S(=O)(=O)c1ccc2ccccc2c1
COc1ccccc1N(C(=O)Cn1nnc(c2ccc(C)o2)n1)C(C(=O)NC1CCCC1)c1ccc(C)o1
CCOc1ccc(C)cc1C(C)NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
CCNS(=O)(=O)c1ccc(N)c(NCc2ccno2)c1
CCC1CCCCC1OC(=O)C1CNC(=O)C[NH2+]1
CN1CC(=O)N(Cc2csc(Cl)n2)C1=O
OC1(C[NH2+]Cc2cc[nH]c2)CCCC1
COc1ccc(F)cc1C(=O)NCC(=O)N1CCc2ccccc21
CCCCc1c(C#N)nnn1Cc1ccc(C(=O)[O-])cc1
CC1CCCCC1Nc1ccc(N)nn1
COC(=O)c1sc(NC(=O)C(C)Cn2nc(C(F)(F)F)cc2C2CC2)c(C(=O)OC)c1C
CC(C)Cn1ccc2cc(NC(=O)c3cccc(NC(=O)NC(C)C)c3)ccc21
CC(=O)Nc1ccc(C[NH+]2CCCCC2c2nc(N(C)C)ncc2c2ccncc2C)cc1
COCOC1CC2C(CCC3CC(=O)CCC32C)C2CCC(C(C)CCC=O)C12C
O=C1C(=Cc2ccccn2)CSCC1=Cc1ccccn1
C=CC1CC1(CC(=O)C1CC(Oc2cc(c3nc(C(C)C)cs3)nc3c(Cl)c(OCC[NH+]4CCOCC4)ccc23)C2CCC(C(C)(C)OC)C(=O)N12)C(=O)NS(=O)(=O)C1CC1
Cc1ccccc1c1cc(C(=O)[O-])c2c(Br)cccc2n1
CC(C)n1nnc(C(F)(F)F)c1C(C)(C)C
CC[NH2+]CC(Cc1ccc(Br)cc1)Cc1cscn1
CNC(=O)Cc1ncc(C(=O)[O-])c(C)n1
CCN(CC)c1cc(CCC(=O)NCCCOC)ccn1
Cc1nc(Oc2cc(Br)cc(F)c2F)cc(=O)[nH]1
O=C(CSc1ccc2c(c1)OCCO2)NC1CCCCC1
CN(C(=O)COc1ccc(F)cc1)c1ccc2ccccc2c1
CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)C(NC(=O)C(C(C)C)[NH+](C)CCOCC[NH+](C)C)C(C)C
CCCCCC(=O)N1CCCCC1C1CCCC1O
C=CCNc1nn(C)cc1N
CNC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)CC2)c(C)c1
Fc1cc([S-])c([S-])c(F)c1F
[NH3+]C(c1ccc(F)c(C(F)(F)F)c1)c1c(F)cccc1Cl
CCn1nc(C)c(S(=O)(=O)N(C)Cc2c(Br)cnn2CC)c1C
Cc1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)cc1
CCNC(=O)Oc1ccc2c(c1)OCN(CCO[N+](=O)[O-])C2=O
Cc1ccc2c(c1)C(C[NH3+])C(C)CC2
CC[NH2+]C(C)CC(C)[NH+]1CCOC2CCCCC21
Cc1cnc(C(C)NC(=O)NC2CCCCC2C(=O)[O-])s1
CCCNCC(C)[NH2+]CC(C)NCC(C)[NH3+]
CC(C)c1ccc(S(=O)NC2CCC2)cc1
c1ccc(C[NH2+]Cc2cnc(N3CCOCC3)nc2)nc1
CCC(=NO)c1ccc(OC2CS(=O)(=O)CC2O)cc1
COCC[NH2+]CCCc1c(C)ccnc1N
COc1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2C)cc1
C=CCN(C(C)(C)C)S(=O)(=O)c1cc(Cl)cc(CO)c1C
COc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2c2c(C)n(C)c3ccccc23)cc1
CCc1nc(N2CCCC2C)sc1C=O
CCCS(=O)(=O)Nc1c(F)cccc1Cl
CC1CC[NH+](CCNC(=O)c2cc(c3ccco3)nc3c2cnn3C(C)C)CC1
Cc1cccc(C(=O)NCC2CCCC2CO)c1Br
CC[NH2+]CCc1cn(CCOCC)c2ccccc12
c1ccc(CN2CC3(CCCCC3)[NH2+]C3(CCCCC3)C2)cc1
Cc1ccc(CC(C[NH3+])Cc2cc(Br)ccc2F)cc1
CC[NH+]1CCN(c2nccc(N(C)c3ccccc3)n2)CC1
Fc1ccccc1Cc1ccc(Cl)cc1Cl
Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NCc4cccc(C(F)(F)F)c4)cc3)CC2)cc1
C=C(C[NH2+]CCC)C[NH+]1C(C)CCC1CC
O=c1sc2ccccc2n1CCC[NH+]1C2C=C(C#CCCCO)CC1CC2
O=S(=O)(c1c(Cl)cccc1Br)N1CCC1
CS(=O)(=O)c1ccc[n+]([O-])c1Cc1c(Cl)cccc1Cl
Cc1cccn2cc(CC(=O)N3CC[NH+](Cc4cn5cc(Cl)ccc5n4)CC3)[nH+]c12
Cc1ccc(n2nc(C)cc2NC(=O)C[NH+]2CCCC2c2ccc3c(c2)OCCO3)cc1
CCOP(=O)(COCCCN1C(=O)N(Cc2ccc3[nH]nc(N)c3c2)C(Cc2ccccc2)C(O)C(O)C1Cc1ccccc1)OCC
CC(NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1
CCN(CC(C)C)C(=O)c1sc2ccc(C)cc2c1N
C=CC([NH3+])c1c(O)c(Br)cc2c1CCCC2
CCCCn1c(=O)[nH]c(=O)c2[nH]c(C(Cc3ccccc3F)c3ccc(NC(C)=O)cc3)nc21
CCC[NH+]1CCN(C(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)CC1
C=CC(C)n1cnc2c1c(=O)n(C)c(=O)n2C
CC(=O)CC1CCCCC[NH+]1CC1COc2ccccc21
CCC(CC)C(C)Nc1ccc(C(=O)N(C)C)nn1
COc1ccc(Br)c(N2CC(C)[NH2+]CC2C(C)C)c1
CCCC(=O)c1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2
CC(C)(C)OCC[NH+]1CCN(C(=O)c2ccco2)CC1
N#CCOc1ccccc1NC(=O)c1ccnc(F)c1
O=C1C(O)=C(c2ccc(Cl)cc2)C(c2ccc([N+](=O)[O-])s2)N1c1ccccc1Sc1ccccc1
CCOC(C)(C)CNS(=O)(=O)c1cccc(C(C)O)c1
COC(=O)c1c(C)sc(C(C(=O)c2ccc3c(c2)OCO3)c2sc(C)c(C(=O)OC)c2O)c1O
O=C1CC(O)C(c2cc3ccccc3s2)N1c1ccccc1
C=C(C)CNC(NCC(c1ccc(OC)c(OC)c1)[NH+]1CCOCC1)=[NH+]CC(=O)N(C)C
NC(=O)Cn1c(=O)n2nc(c3ccccc3)nc2c2c3c(sc21)CCC3
CCC([NH3+])(Cc1ncnn1CC(C)C)c1ccccc1F
CCC1(C(=O)[O-])CCCN(C(=O)NCc2cscc2C)C1
CCCCCCCCCCCCCCCC[Si]CCCCCCCCCCCCCCCC
CC([NH3+])c1nc(C(=O)N2CCN(c3ccccc3)CC2)cs1
Cc1ccc(n2cnnc2SCC(=O)NC2CCCC(C)C2C)cc1Cl