Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CC(=O)c1ccc(S(=O)(=O)N2CC(Oc3cc(C(F)(F)F)ccn3)C2)cc1
Cc1cccc(NC(=O)C2CSCN2C(=O)c2cc(C(=O)[O-])ccn2)c1C
C=CCOC(Oc1ccccc1)(C(=O)Oc1ccc(c2cccc(C(C)C)c2)cc1)c1ccc(c2cccc(C(C)C)c2)cc1
O=C1c2ccccc2C(=O)N1Cc1ccccc1c1noc2ccccc21
C=CCn1c(SCC(=O)Nc2nc(c3ccc(Cl)cc3)cs2)nnc1c1cc(c2ccccc2)nc2ccccc21
Cc1ccc(NC(=O)CCNC(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)cc1
CCOC(=O)C1([NH3+])CCC([NH+]2CCC(CC)C2)C1
O=S1(=O)Cc2cc(n3c4ccccc4c4ccccc43)ccc2-c2cc(c3ccc4oc5ccccc5c4c3)ccc2C1
COc1ccc(Oc2cncc(C3CCN(C(=O)C4(c5ccccc5)CCOCC4)CC3)n2)cc1
COc1ccc(C(=O)CC(SC(=O)c2ccccc2)c2ccc(C)cc2)cc1
NNc1cccc(n2cc(Cl)cn2)c1[N+](=O)[O-]
CCOCCC[NH2+]CCN1CCN(S(C)(=O)=O)CC1
CC1CN(S(=O)(=O)c2ccc(Cl)c(N)c2)CC(C)S1
Cc1nn(c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NCC(F)(F)F
CCC1(C[NH+](C)C2CCCN(C)C2)CC[NH2+]CC1
O=C(Nc1ccnnc1)c1cnn(c2ccc(OC(F)(F)F)cc2)c1C(F)(F)F
CCN(C(=O)C=Cc1cnn(c2ccccc2)c1)C(C)c1ccc(C#N)cc1
C=CCOC1C2OC(C)(C)OC2OC1C1C(Oc2ccccc2)C(=O)N1c1ccc(OC)cc1
CC(=O)NCCc1ccc(C(=O)CSc2nnc(Nc3cccc(NC(C)=O)c3)s2)cc1F
COc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1O
CC[NH2+]C(Cc1ccccc1Br)c1cnccn1
CCc1ccccc1Nc1ncnc2sc(C(=O)OC3CCCCC3)c(C)c12
Cc1nnc(NC(=O)c2nn(c3ccccc3)nc2C)s1
CC(C)c1cc2n(n1)CC[NH2+]CC2
Cn1ccnc1COc1ccc(C#N)cc1I
COc1ccc(CCNC(=O)C2CC(=O)NN2)cc1OC
CCC(=O)Nc1ccc(N2C(=O)C(O)=C(c3cc(Cl)c(OC)c(OC)c3)C2c2sccc2C)cc1
O=C([O-])c1cnc(Oc2cccnc2)c2ccccc12
CCCCc1nc([NH+]=CN(C)C)n(C(CC)C(=O)OC)c(=O)c1Cc1ccc(c2ccccc2c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
C[NH2+]C1CCCC1C[NH+]1CCCC(C)(O)CC1
CCCC[Sn](CCCC)(CCCC)c1cnc(C(CCc2ccc(Oc3ccccc3)cc2)O[Si](C)(C)C(C)(C)C)o1
C=CCCC(=O)NCC(OC(=O)C1C2OC3(CC2Br)C1C(=O)N(CCO)C3C(=O)N(CC=C)C(C)(C)C)c1ccccc1
Cc1ccc(C2(c3cccn3C)[NH+]=C3N=CC=C4c5ccccc5[NH+]=C2N43)cc1
CC(=NNC(=O)CSCc1ccc(C)cc1)c1cccc(I)c1
CC(C)CC(=O)NCC(c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1
COc1cccc(C[NH2+]CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)Cc2ccc(SC)cc2)c1
CNc1cnc(C(=O)Nc2cccc(C)c2)cn1
CC(=O)Oc1ccc(C2(c3ccc(Nc4cc5c(cc4C)Oc4cc(N(C)C)ccc4C54OC(=O)c5ccccc54)cc3)OC(=O)c3ccc(N(C)C)cc32)cc1
O=C(C=Cc1ccco1)NC1=[NH+]CCS1
O=C(NCc1cnn(Cc2ccccc2)c1)NCc1ccccn1
COc1cccc(C=NNC(=O)C(=O)NC2CC2)c1OCC(=O)NCc1ccccc1
CC(=O)c1ccc(SCC(=O)NC(C)C(N)=O)c(F)c1
O=C1C[NH2+]CC2=C1C(c1ccc(SC3=NC4C=C(Cl)C=CC4S3)o1)c1cn[nH]c1N2
O=C1COc2cc(CNC(=O)c3ccco3)ccc2N1
CCn1c2ccccc2c2cc(NC(=O)CCN(c3ccccc3)c3ccccc3)ccc21
C[NH+]1CCOC(c2noc(c3cc(Cl)ccc3N)n2)C1
C[NH+](Cc1nc(N)c2ccccc2n1)C1CCN(c2ccccc2)C1=O
CC[NH+](CC)CCOCCNC(=O)CCS(C)(=O)=O
O=[N+]([O-])c1n[nH]nc1c1nc(c2n[nH]nc2[N+](=O)[O-])nc(c2n[nH]nc2[N+](=O)[O-])n1
COCC(O)CCNc1cncc(Cl)n1
Nc1cc(NC(=O)c2ccc(C([NH3+])C(=O)CCc3ccc(F)cc3)cc2)ccn1
O=C(NC1CC[NH+]2CCCC12)c1c(O)cccc1F
CCOCCn1nc(C)c2nc(N3CC[NH2+]C(C)C3)nc(Nc3cc(C(F)(F)F)ccn3)c21
CCOC1CCC[NH+](CCCC(=O)c2cccs2)C1
C=CCNC(=O)c1ccc(C(=O)NCCOc2ccc(OC)cc2)cc1
C=C(C)Cn1c(=O)c2c(nc3n2C(C)C(C)=NN3)n(C)c1=O
c1ccc(c2ccc(Cn3cc(c4cccc(c5cn(Cc6ccc(c7ccccc7)cc6)nn5)c4)nn3)cc2)cc1
CCC(CC)C[NH2+]CC(=O)Nc1cccc(OC)c1
COC(=O)C1CCCN1c1ncc(Br)cc1N
COc1ccc(CNc2ccc3c(c2)OCO3)cc1O
[CH2]CC(OCC(O)COC(=O)C=CC)(O[Si](C)(C)C)O[Si](C)(C)C
Cc1c2c(nn1C)C(C)NC2=O
CCCCCCCCc1cc(CCCCCCCC)c(O)c(C(=O)NC2CCCCC2NC(=O)c2cc(CCCCCCCC)cc(CCCCCCCC)c2O)c1
CNC(=O)Cc1ccc(NC(=O)CC2CC[NH2+]C2)cc1
NC1=[NH+]c2ccc(Nc3nnc(C(F)(F)F)o3)cc2C(C2CCc3cc(F)ccc32)O1
O=C(NCc1ccc(C#CCO)s1)c1ccc(Cl)o1
C=CCCCCCC1=NCC[N+]1(CC)C(C)NC(C)=O
O=C(Cn1cccc1c1nc(c2ccc(OC(F)(F)F)cc2)no1)Nc1ccc(F)cc1Cl
CC([NH2+]CC1COCCN1Cc1ccc(C(F)(F)F)cc1)c1cccc2ccccc12
CC12CNCC[NH2+]CC(NC(=S)Nc3ccc(SC#N)cc3)(C[NH2+]CCNC1)C[NH2+]CCNC2
CC1(F)C[NH2+]CCN(C(=O)C([NH3+])C2CCC2)C1
CC(=O)N(C(=O)CCS)c1ccc(N)cc1
CC(=O)NC(CC(=O)Nc1ccc2nc(C[NH+]3CCOCC3)[nH]c2c1)c1ccc(C)cc1
Cc1cc(C(C)(C)C)cc(C)c1CC1C(C)CC(C(C)(C)C)CC1C
COc1ccc(NC(=O)c2cn(C)nc2c2ccc3c(c2)OCCCO3)cc1Cl
CC[NH+]1CCN(c2cc(Cl)nc(SCC(=O)NC(C)C)n2)CC1
CCCCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc(OCCC(C)C)cc1
CCc1ccsc1CNc1nc(N)c(F)cc1F
NNc1ncc(CN2CCCS2(=O)=O)s1
COc1ccc(OC)c(NC(=O)CSc2nnc3ccc(c4ccco4)nn23)c1
Cn1nccc1CCC1(C(=O)[O-])CCC1
CC1CCCN(C(=O)Nc2cccc(C#CCCO)n2)C1
CCc1ccc(C[NH+]2CCCCC2C2CCCC2=O)s1
COc1ccc(C2C(C(=O)C(C)C)=C(O)C(=O)N2c2nc3ccc(OC)cc3[nH]2)cc1
CC[NH2+]Cc1ccc(N(C)CCc2ccncc2)c(F)c1
CC(C)(C)OC(=O)NC1=[NH+]C2(c3cc(NC(=O)c4ccccn4)ccc3F)OCCC2CS1
CCNc1nc(c2c(C)cc(OCC)cc2C)cs1
COC(=O)C[NH+](Cc1cccn1Cc1cccc(F)c1)C1CCCCC1
CCCc1nnc(NC(=O)c2cccc(OCc3nnnn3CC)c2)s1
CCC(NC(=O)NCCCCCCC(=O)[O-])c1cccs1
O=C(Nc1ccccc1SC1CCCC1)C1CSCC[NH2+]1
CCOc1cc2c(cc1CNC(=O)CSc1nnc(NC)s1)OC(C)C2
[NH3+]CCOCCOCCOCCOCCC(=O)NCCCCCC(=O)N1Cc2ccccc2C2=C(CC2)c2ccccc21
COc1cccc(NC(=O)N2CC[NH+](C)CC2c2ccccc2)c1
Nc1nc(Nc2ccc(I)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
C=CC(=O)OC(C)(C)CC[NH+](C(C)O)C(C)(C)C
COc1ccccc1OCC(=O)Nc1ccc(Nc2c(C)cc(C)cc2C)cn1
COc1ccc(c2nc(C(N)=O)c(c3ccc(OC)cc3)o2)cc1
CC(C)CCC(C)Nc1nc2ccc(Br)cc2s1
CCCCCCCCOc1ccc(C2CCC(CCCCC)CC2)cc1C