Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
COc1ccc(CN(C(=O)OC(C)(C)C)c2nc3ccc(OS(=O)(=O)c4ccc(F)cc4)cc3[nH]2)cc1Cl
COC(=O)c1ccc(C)c(NC(=O)COC(=O)COc2ccc(Cl)cc2)c1
O=C(Cc1csc(c2ccccc2)n1)OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21
CC(CS(C)(=O)=O)NCc1ccccc1C(N)=[NH+]O
CCOc1cc(C[NH+]2CCCCC2(C)C(=O)[O-])ccc1O
CC1(C)CC([NH3+])CC(C)(C)[NH+]1C=C(C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1
Cc1nc(C2CCCCCN2S(=O)(=O)C2CCC(C(F)(F)F)CC2)no1
COc1ccc2c(c1)CC[NH2+]C2c1ncc[nH]1
CC(NC(=O)CC1COCC[NH2+]1)c1ccc(S(C)(=O)=O)c(F)c1
C#CC(C)(C)Oc1ncnc(NN)c1C(C)C
CC=C(C#CCOc1ccccc1)CC(=O)OC
CCCc1nc(C(=O)NCC2(SC)CCCCC2)n[nH]1
C[n+]1noc(O)c1SCC(=O)Nc1cccc(C(F)(F)F)c1
N#Cc1c(I)cc(OC(F)(F)F)nc1CCl
CC(C(=O)CCc1ccccc1)C(C[N+](=O)[O-])c1cccs1
CC(=O)Nc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)ccc1F
COC1CCCN(c2cc(S(N)(=O)=O)ccc2N)C1
CC(C)(C)c1ccc(C(Cc2ccc(OCCCS(=O)(=O)[O-])cc2)C(=O)Nc2ccc(OCC3CCCCC3)cc2)cc1
C=CCC1(C(=O)[O-])CCCN(C(=O)CC2CCC2)C1
CC(C)C(NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(F)cc2)n[nH]1
CC(C)(C)OC(=O)N1CC2CCC(c3cccc(Cl)c3C#N)CC2CC1C(=O)[O-]
CC(C)(Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1
C=CCSCC[NH2+]C1CC(=O)N(C)c2ccccc21
Cc1c(C)c(O)c(O)c(O)c1O
O=C(c1cnn(c2cccc(Cl)c2)c1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F
CC1=CC2=CCSC2=C1C
Cc1cccc(c2noc(C3C[NH2+]C3)n2)c1
NC(=O)c1ccc(CSC(=S)N2CCCC2)cc1
CCCn1ccc(NC(=O)c2ccco2)n1
CCCC1CCN(c2cc(F)cc([N+](=O)[O-])c2)CC1
C=CC(C)=CCC1=CC(C)=CC[NH2+]1
CCC(C)C(=O)Nc1cc(NC(=O)CNC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)NC)ccc3C)CC2)ccc1Cl
N#Cc1cccnc1C(=O)c1cccc(Br)c1
CN(C)c1ccc(NCCCc2ccccc2O)cc1
C#CCNC(=O)CN(C)CC[NH2+]C
c1ccc(NC(=[NH+]Cc2nc(c3ccncc3)n[nH]2)N2CCCCC2)cc1
CCC=C(CCCCC)C[NH2+]C
C=CCC1(C(=O)NCc2cc(F)ccc2F)N=C(c2ccc(OCCCO)cc2)OC1c1ccccc1CN=[N+]=[N-]
CN(C)C1(C[NH2+]CCCOCC(F)(F)F)CCC1
C=CC(=O)OCCNc1nc(Nc2ccc(S(=O)(=O)[O-])cc2)nc(Nc2cc(S(=O)(=O)[O-])cc3ccc(N=Nc4ccc5ccccc5c4S(=O)(=O)[O-])c(O)c23)n1
Cc1cc(C=NNC(=O)C(=O)NCc2ccccc2)c(C)n1c1ccc(Cl)cc1
COCCC(C)(C)CNC(=O)c1n[nH]c(C)c1N
COC(=O)c1nc2ccc(Br)cc2c(c2ccccc2)c1C(=O)OC
CCCCCOC(=O)CC(C)C(O)O
Cn1cnc2cc(CCCl)ccc21
CN(C)c1ccc(NC(=O)C2(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1
Cc1ccc(S(=O)(=O)N2CCOCC2c2ccc(F)cc2)s1
CCC([NH3+])(CC)CNC(=O)c1ccc(F)c(C(F)(F)F)c1
Cc1ccc(S(C)(=O)=O)cc1C(=O)NC(C(=O)[O-])C1CC1
Cc1c(C=Nn2c(=S)[nH]c3ccccc3c2=O)n(C)n(c2ccccc2)c1=O
CC(NS(=O)(=O)c1ccc(CCO)s1)C1CC1
Brc1cc(CNc2cccnc2)sc1Br
CC(Sc1c(=O)o[nH][n+]1C)C(=O)Nc1ccc(C(C)C)cc1
Cc1cc(C#N)ccc1Cn1ccnc1c1ccccc1
CCCc1nc(C(F)(F)CCC)nn1Cc1ccc(c2ccccc2C(=O)[O-])cc1
Cc1cccc(C2CC(Nc3ccc(Cl)cc3C)C2)c1
O=P(OCC=C(Cl)Cl)(OCC=C(Cl)Cl)OCC=C(Cl)Cl
COc1ccc(C(NN)c2ncc(Cl)cc2Cl)cc1F
COCCNC(=O)C(C)OC(=O)CSCc1ccc(Cl)s1
CC(C)CCCCCCCCCCN(CC[NH+](CCO)CCO)CC[NH+](CCO)CCO
CCOC(=O)c1sc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)cc1C
CCOC(=O)Cc1ccc(OC(C)C)c2ccccc12
Cc1ccc(c2csc3nc(SCC(=O)N4CCCCC4)[nH]c(=O)c32)cc1
Cc1cc(Nc2nccs2)cc(C2CCN(C(=O)c3ccn(C)n3)C2)n1
CCOC(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(C(NC(=O)c3ccccc3)C(C)C)n2C)c1
CCN1CCn2cc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)cc2C1=O
COc1ccc(OC)c(C([O-])=C2C(=O)C(=O)N(CCc3ccc(OC)c(OC)c3)C2c2cccc(C)c2)c1
O=C([O-])C=C1CCCCC1Cc1cccc(F)c1
CC(=O)OCC1OC(Nc2ccc(C)cc2)C(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O
CCOC(=O)CCN(CCNC(C)=O)C(=O)c1ccc(F)cc1
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cc(NC(=O)C3CCCCC3)ccc2F)CC1
CC1CN(C(=O)c2cc3sc(Nc4ccccc4)nc3s2)CC1C(=O)[O-]
CC(C)c1cccc(Oc2cccc(N(Cc3ccc(C(F)(F)F)cc3F)CC(O)c3ccc(C(F)(F)F)cc3)c2)c1
CCC1CCC(C)N1c1cc(N)nc(SC)n1
O=C(Cc1cccs1)Nc1cscc1C(=O)[O-]
COC(=O)CC1(C)CCCC1(C)C=Cc1ccccc1
Cn1c(=O)oc2ccc([S-])cc21
CCCCNC(=O)c1ccn(Cn2nnc(c3ccccc3)n2)n1
CCCCCCOC(=O)N=NC(=O)OCCCC
CCOc1ccccc1C(=O)NCCCC(=O)NC(C(=O)[O-])C(C)C
CCN(CC(=O)N(C)C)C(=O)COCC(=O)[O-]
CCCNC(=O)c1ccc(N2CC[NH+](C3CC4CCC3C4)CC2)nc1
C[NH+](CC(=O)NC1CC(=O)N(CC(C)(C)C)C1)Cc1ccncc1
CC(=O)Nc1nc(Cl)c2ncn(C3CCCO3)c2n1
CC(C)(C)OC(=O)CC1(C)OCCCO1
CC1CCN(C(=O)c2cccc3c2NCCC3)C1CO
O=S(=O)(N[I+]c1ccccc1)c1cccc[n+]1[O-]
FC(F)C1CC1[NH2+]C1CCSCC1
COc1nc(Nc2ncc3c(n2)N(c2ccccc2C)CCO3)ccc1n1cnc(C)c1
CCc1ccc(S(=O)(=O)N2CCN(C(=O)C(CC)CC)CC2)cc1
O=C1CCSc2cccc(F)c21
Cc1cc(C(=O)N2CCC(OCCOc3ccccc3)CC2)n[nH]1
CC1OCCC1NC(=O)NCC1(CS(C)(=O)=O)CC1
CCC(C)(C)c1cc(NC(=O)NC)no1
CCC(C)CC(=O)CC([NH3+])C(C)(C)C
O=C(CCc1ccc(Cl)cc1Cl)Nc1ncc[nH]1
CCCCOc1ccc(S(=O)(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1
COc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)N4CCCC(C)C4)ccc3Cl)CC2)ccc1NC(=O)c1ccccc1C
CC(C)CC1NC(=O)C(C(C)C)N(C2CCCC2)C1=O
[NH3+]CCc1cc(Br)c(OCc2ccc(F)c(F)c2)c(Br)c1