Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CCOC(=O)c1cc(N)cnc1NCC1(SC)CCCC1
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(C)c1
Cc1nc(CC2CC2)sc1C(=O)N(C1CCCCC1)C1CCS(=O)(=O)C1
CC(=NOCc1ccccc1)c1ccc(N2C(=O)N[NH2+]C2O)cc1
CC(=O)Nc1c(C)cc2c(nc3n2CCC3O)c1N
CC1OCC(O)C(O)(C(F)(F)F)C1O
CC(C)Cn1c(=O)n(C)c(=O)c2cc(Cc3cccc(C(F)(F)F)c3)sc21
Cc1cc(Cn2ccn(C3CC3)c2=O)n(C)n1
c1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3c(c2)c2ccccc2c2c4ccc(N(c5ccccc5c5ccccc5)c5cccc6c5oc5ccccc56)cc4sc32)cc1
CCC(NS(=O)(=O)c1c(C)n[nH]c1C)C1CCCCC1
CC(=Cc1coc2cc3c(cc2c1=O)C(C)(C)CCC3(C)C)C=C(C)C(=O)[O-]
CC(C)c1ccc(COc2cccnc2N)cc1
CC(C)C(=O)c1ccc2[nH]c(C(=O)Nc3ccc(OCCOCCO)cc3)cc2c1
CCOc1cc(C[NH+]2CCC(NC(=O)C(C)=Cc3ccc(F)cc3)CC2)ccc1O
CCN(CC(C)(C)C[NH3+])C(=O)CCc1ccco1
CCC1(C(=O)[O-])CCC[NH+](C2CCN(C)C2=O)C1
Cc1cc2nnc(SCC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)n2c2ccccc12
O=c1c2[nH+]c(c3ccc(Cl)cc3)cn2ccn1c1cccc(F)c1
N#CC(Nc1cccc(F)c1)C1CCCCC1
NC(CC(=O)[O-])C([NH3+])C(=O)[O-]
O=C1N=C(CC2CC3CCC2C3)SC1C1CCCCC1
CCOc1c(Cl)cc(C=Nn2c(CC)nnc2SCc2ccc(C)cc2C)cc1Cl
Cc1nccc(CNc2ccc(C(N)=S)cc2C)n1
Cc1cc2c(c3oc4ccccc4c13)-c1c(cc(Br)c3c1C(C)(C)C=C3)C21c2ccccc2-c2ccc(F)cc21
OCCc1ccc(NCc2ncccc2C(F)(F)F)cc1
Cc1cc(C(=O)CSc2n[nH]c(C(C)C)n2)c(C)n1c1cccc(F)c1
CC(OC(=O)OCc1ccccc1[N+](=O)[O-])C1C(=O)N2C1CCOC2(C)C
Cc1ncc2c(NCC(O)(CC(C)(C)c3ccccc3)C(F)(F)F)cccc2n1
COc1cccc(OCc2ccc(C(=O)N3CCCC3C(=O)[O-])cc2c2ccccc2Cl)c1
Fc1cc(Br)cc(C[NH2+]Cc2ccc(Cl)s2)c1
Cc1ccc(C(C)Nc2cccc(Cl)c2F)s1
CC(COc1cc(F)cc(F)c1)Nc1nc(NC=O)nc(C(C)(C)F)n1
CCOCC(CNC(=O)OCc1ccccc1)[NH2+]C(C)C
C#CCN1C(=O)C(C)(C)C1CCCC
CCOC1CC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1
CCc1cc(=O)nc(n2nc(c3ccco3)cc2NC(=O)c2ccc(F)c(F)c2)[nH]1
C[NH2+]C(c1ccc(F)cn1)c1ccc(OC)cc1OC
CCOC(=O)c1cccc(NC(=O)COC2CCCC(C)C2)c1
Cc1noc(C(C)C)c1C(=O)OC(C)C(=O)NCc1ccccc1Cl
Oc1ccc(Cl)c2sc(Cl)cc12
O=C(NC(CO)(CO)CO)c1nc[nH]c1C(=O)[O-]
Cc1ncn(CC(O)C2CCCCC2)c1C
CC(O)CC[NH+](C)CC(=O)Nc1cccc(C(N)=S)c1
CC(C)C(=O)Nc1cc(C(=O)NC(C)c2ccc(OCCC(F)(F)I)nc2)ccn1
O=C1CC=C(C(=O)NCc2cccs2)C=N1
CCOC(=O)c1c(N2CCN(C(=O)c3ccc(F)s3)CC2)c2sccc2n(Cc2cccc(F)c2)c1=O
COc1c(Cl)cc(C([O-])=C2C(=O)C(=O)N(c3ccc(C)c(C)c3)C2c2ccccn2)c(OC)c1Cl
COC(=O)N1CCC(C)CC1C#N
CC(C)(C)c1cc(=O)n(CC2CC[NH+](Cc3cnon3)CC2)cn1
CCc1cc(CC)c(C(Cl)c2cccc(Cl)c2)c(CC)c1
O=C([O-])Cc1ccc(N=NN2CCCC2)c(Br)c1
C=CCn1c(=O)[nH]c2cc(C=O)ccc21
Cc1nc2ccccc2c(C)c1CC(=O)NCCCc1[nH]nc(N)c1C#N
CCCCCOc1ccc(C[NH2+]C(C)C(OC)OC)cc1
CC(Cl)CC[NH+](C)Cc1cncs1
COCCOC(=O)OC1=NNC2=C(C(=O)OC2)C1c1cccc([N+](=O)[O-])c1
CCN(Cc1ccccc1)C(=O)C(C)(C)C(=O)Nc1cccc(C#N)c1
CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)C3CCN(C(=O)OCCCCCC)CC3)cc2)cc1
CC(Cc1cccnc1)NC(=O)c1cnn(c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1
Cc1ccc(C)c(Nc2nn3c(=O)c4cc(C)ccc4nc3s2)c1
NS(=O)(=O)c1ccc(NC2CCS(=O)CC2)c(Br)c1
COc1ccc(Br)cc1CC1(CC(C)C)CCC(=O)N1
CCOC(CCNC(NCCc1cc(OC)ccc1OC)=[NH+]C)C(C)C
c1cncc(C2=[NH+]c3ccccc3C(c3cccs3)=NN2)c1
O=S(=O)(NCC1CCOC2(CCC2)C1)c1ccc(F)c(F)c1F
C=CCn1c(CS(=O)(=O)c2ccccc2)nnc1SCC(=O)Nc1cc(C)c(Cl)cc1OC
CC1CC(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CO1
CC[NH+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1NN
CC(=O)N1CCC2CCCC(CN(C(=O)CCn3ccnc3)Cc3ccccc31)[NH+]2CC1CC1
COc1ccccc1c1ccc(=O)n(CC(=O)NCc2sc(c3cccnc3)nc2C)n1
CC(C)(C)c1ccc(CC(C(N)=O)(c2ccc(Cl)c(C(F)(F)F)c2)n2ccc3ccnc(C(=O)[O-])c32)cc1
Cc1[nH]c(n2nc(c3ccco3)cc2NC(=O)C(C)(C)C)nc(=O)c1C
Cc1cc(C(=O)NC2CCCCC2C)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2C(=O)Nc2c(C)cccc2C(=O)Nc2ccccc2C)CC1
CCCNc1cncc(C(=O)NCc2cccc(F)c2)n1
O=C(COc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCC2)cc1
C[Si](C)(C)c1cccc(Cl)c1C(=O)[S-]
CCc1nc(Cl)nc2ccc(C#N)cc12
CCC[NH2+]CCc1ccc(C[NH+](C)C(C)C2CC2)cc1
O=C(NC1=[NH+]CCS1)OCCCc1cccc(F)c1
CCc1ccc(NC(=O)CCBr)cc1[N+](=O)[O-]
CCC(CC)(C([NH3+])c1cccc(Cl)c1Cl)N(C)C
CC(=O)NC1=C(C=O)CC2(C)C(CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1
COc1ccc(C(=O)N2CCN(c3ccccc3)C(=O)C2)c(Cl)c1
O=C(Cn1cccc(C(=O)[O-])c1=O)Nc1ccccc1F
COc1ccccc1CCNC(=O)C(C)(C)C(=O)Nc1cccc(Cl)c1C
Cc1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c(C)n1c1ccccc1
O=S(=O)(Nc1cccc(C2OC(C[NH+]3CCC4(CC3)OCCO4)CC(c3ccc(CO)cc3)O2)c1)c1ccccc1
CCCc1sc(C(=O)N(C)Cc2cnn(C)c2)cc1CC
C=C(C)N(CC(C)(C)C)C(Br)=C(N)[N+](=O)[O-]
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(F)c(F)c(F)c2F)cc1
CC1CN(S(=O)(=O)c2ccc3nc(c4ccccc4)[nH]c3c2)CC(C)O1
CCC1(C)CCSC(=[NH+]Cc2ccc(C#N)cc2)N1
COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)C(Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1
CCc1nc(SCC(=O)c2ccc(CCNC(C)=O)s2)nc(N)c1c1ccc(Cl)cc1
O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3
CC(C(=O)NCCCOC1CCCC1)C([NH3+])c1ccccc1
c1ccc(c2cc(c3cc(c4nc5ccccc5c(c5ccc6ccccc6c5)n4)c4sc5ccccc5c4c3)nc(c3ccccc3)n2)cc1
[C-]#[N+]CC(C[NH+]1CCCN(S(=O)(=O)c2cc(OC)ccc2C)CC1)n1cc(c2[nH]cnc3nccc2-3)cn1
Cc1nc(NC2CC2)nc(NC2CC(C(F)F)C(O)C2O)c1c1nc2c(C3CC3)nccc2s1
Cc1ccncc1C(=O)Nc1cnc(c2cc(Oc3cccc(C(F)(F)F)n3)ccc2Cl)cn1