Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CC(C)[NH2+]CCn1nnnc1SCCCCC(C)(C)C#N
C=Cn1c(C(C)=CC)c[nH+]c1C(C)(N)CC(C)C
CC(C)CC(NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(C)(C)O
O=C1CCC([NH2+]CCn2ccccc2=O)CN1
C[NH+]=C(NCc1ccnn1C)NCC1(c2ccccc2Cl)CCOCC1
COC(=O)CSCC(O)C(SCCC(=O)[O-])c1cccc(C2CCCC2)c1OCc1ccccc1
COC(=O)c1cccc(NC(=O)Oc2ccc(C)c(C)c2)c1
O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCCCC1CBr
CCC(C)Cc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1
Cc1ccc(C(Cc2cc(C)nn2C)NN)c(Br)c1
Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3cccc4c3C3=CCCC=C3C43c4ccccc4-c4ccccc43)cc2)c2ccc3c(c2)c2ccccc2n3c2ccccc2)cc1
CCCS(=O)(=O)c1ccc(NC(C(N)=O)C(C)C)cc1
CN(C)C(=O)CCNc1ccc(Br)cc1C(F)(F)F
Cc1ccc(C(C)(C)C)cc1SCCCCC(=O)N(C)C
CC(C)n1c(Sc2ncccc2C=O)n[nH]c1=O
[NH3+]C(Cc1ccccc1)C(O)C1CC(OCc2ccccc2)CN1C(=O)[O-]
CCc1ccc(S(=O)(=O)NCc2cc(=O)[nH]c3ccccc23)cc1
S=C(Cc1cccc(Cl)c1)c1ccccc1
OCC1([NH2+]CCCOCC(F)(F)F)CCCC1
COC1CC(C(=O)N2CCCC2)N(C(=O)CC2CCCCO2)C1
CN(C(=O)c1ccc(F)cc1)c1nc(NC(=O)NC(C)(C)C)cs1
Cc1cccc(C)c1NC(=O)C(c1cccc(O)c1)N(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C1CCC1
O=c1nc(c2ccc3c(c2)nc(Cc2ccccc2)c2ccsc23)[nH]o1
Cn1ccnc1C(NC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1
CSc1nc(Cl)cc(Nc2ccc3c(c2)OCCCO3)n1
CCOc1cncc(c2ccc(O)c(F)c2)c1
[NH3+]C1CCCc2cc(Br)ncc21
[NH3+]C(CO)c1nnc(c2c(O)ccc3ccccc32)o1
Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(c2nc3n(c4ccc(F)cc4)[nH]cc-3c(=O)n2)n1
COC(=O)c1cc(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)ccc1Cl
CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C)c(C)c3)C2c2cccnc2)c1
O=C(COc1ccc(N2C(=O)C3C4C=CC(C5CC45)C3C2=O)cc1)c1ccc(c2ccccc2)cc1
CCC(COCc1ccccc1)NC(=O)CC1CC[NH+](Cc2ccn(c3ccc(C(F)(F)F)cc3)c2)CC1
C[NH2+]C(C)CCSCCOC
Cc1ccc(=O)n(Cc2cc(C(=O)[O-])c(C)o2)n1
O=C([O-])c1cccc(c2ccc(C[NH2+]CCNc3ccc([N+](=O)[O-])cc3Cl)o2)c1
COC(=O)C(CC(Br)CC(Cl)(Cl)Cl)C(=O)OC
COC(CNC(=O)COc1ccccc1)c1ccc(C)s1
CCOC(=O)CCCCCOc1ccc(Cl)c(CC)c1
CC1=CC(=O)C(CCC(C)C)C1
Cc1ccccc1OCc1nc2ccccc2n1CCCOc1ccccc1Cl
CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)CC1
Cc1cccc(C[NH+](C)C(C)(C)CO)c1C
CCNC(NCC1(CC(C)C)CCC1)=[NH+]Cc1ccnn1C
Cc1ccccc1CNC(=O)COC(=O)c1ccc(N(C)C)cc1
CNS(=O)(=O)CCCSc1nnc(N2CCCC2)n1c1cccc(Cl)c1
CCC(C)C(NC(=O)C(CO)NC(=O)CNC(=O)C(C)NC(=O)CNC(=O)C(CCC(=O)[O-])NC(=O)C(NC(=O)C(NC(=O)C(CCCC[NH3+])NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)C(C)O)C(C)C)C(C)C)C(C)C)C(C)O)C(C)C)C(C)O)C(C)C)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)[O-])C(C)C)C(C)O
COc1ccc2c(C(=O)N3CCN(C)C(=O)C3C)cc(C)nc2c1
CCCCCCCCCCc1ccc(C2(c3ccccc3)c3cc(OS(=O)(=O)C(F)(F)F)ccc3-c3c2cc2cc(OSOOC(F)(F)F)ccc2c3C)cc1
CC(C)N1CCCc2c(Cl)cccc21
COc1cc(C=NNC(=O)COc2ccccc2F)ccc1OC(C)=O
CCCCN(CC)C(=O)c1sc2[nH+]c(c3ccccc3)cn2c1C
Cc1nc(c2cc(Br)ccc2F)sc1CCS
CC[NH+](CC(C)(CC)C[NH2+]CC(C)C)C(C)COC
CCCCOc1ccc(C)c2nc(c3c(C)c(C)c4ccccn43)cc(C(=O)[O-])c12
NC(=NO)c1nc2cc(N)ccc2s1
COCCN(CCO)C(=O)c1cc(N)cc(C)c1F
CC1=C(C(=O)Nc2c(C)cc(C)cc2C)SC2=[NH+]CCN21
O=C(CCCOc1ccc(Cl)cc1)N1CCN(c2nc3cccnc3s2)CC1
Cc1nc(c2cccc3cccnc32)nc(Cl)c1Br
N#CCn1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21
Cc1nc(C2CCCC(=O)C2)ccc1F
NC(=O)c1cccc(C2C3CCC2C[NH+](CC2(O)CCc4ccccc4C2)C3)c1
CC1CC(c2nc(c3ccc(Oc4ccccc4)nc3)no2)CC[NH2+]1
CCNC(NCCNC(=O)c1ccc(O)cc1)=[NH+]CCc1ccccc1Cl
COC12C=C(CCC3C(C=C(C)C(=O)C(O)C4OC4(C)C1)C3(C)C)C(=O)O2
NC(=O)CNC(=O)CC1([NH3+])CCC1
Cc1nc(CNc2ccn(C)n2)sc1C
CCCc1cc(CCl)cc(Oc2ccc(F)c(Br)c2)n1
COC1CC2(C)C(CC1O)C(=O)C=C1C2CCC2(C)C(C(C)(O)C(O)CCC(C)(C)O)CCC12O
CC(C)c1cc(O)cc(O)c1O
Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)C=Cc3ccco3)CC2)cc1F
COCOCC(CCC(=O)NO)NC(=O)c1ccc(c2ccc(Cl)cc2)cc1
CC(=O)OC12CCC(C3(C)CC3(Cl)Cl)C1C1CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(C)CC2
CCCCOc1ccc(C(=O)NC2CCCC2CBr)cc1
CCOC(c1ccccc1)(c1cccc(c2ccncc2)c1)C(Oc1nc(OC)cc(OC)n1)C(=O)[O-]
CCCN(CCC)C(=O)c1cc(NCC[NH+]2CCOCC2)cc[nH+]1
[NH3+]CC(Oc1ccccc1[N+](=O)[O-])C(=O)[O-]
c1ccc(C2(C3(c4ccccc4)c4ccc5ccccc5c4-c4c3cc(N(c3ccc(c5ccccc5)cc3)c3cccc5c3oc3ccccc35)c3ccccc43)c3ccc4ccccc4c3-c3c2cc(N(c2ccc(c4ccccc4)cc2)c2cccc4c2oc2ccccc24)c2ccccc32)cc1
CC(C)(C)c1ccc(c2ccc3c(c2)sc2ccccc23)cc1
NS(=O)(=O)c1ccccc1OC1CC(C[NH3+])C1
CCc1ccc(C[NH+](CC)Cc2ccc(N)cc2)s1
Cn1cc[nH+]c1CCC1CCCCC1O
CCC1=C(C)C(C)Nc2c3c(=NCCc4n(C)c5ccccc5[n+]4C)ccc(C(CCc4nc5c(n4C)CCC=C5)Pc4ccc(C(CCc5nc6c(n5C)CCC=C6)Nc5cccc6c5C5CN=C(C(F)(F)F)N5C=C6)c5ccn6c(C)nnc6c45)c-3ccn21
CC(C#N)Cn1cnc(C(C)(C)C)n1
CC(C)(CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cccs1
COCC(=O)N1CCSC12C(=O)N(Cc1ccccc1Cl)c1ccc(F)cc12
CCCC(C(=O)C(=O)NC1CC1)N1CCC(CNC(=O)C(NC(=O)C(NC(=O)c2cnccn2)C2CCCCC2)C(C)(C)C)C(C)CC1=O
CCC(Cc1c(I)cc(I)c(NC(=O)CN2CCN(CC(=O)[O-])CC[NH+](CC(=O)[O-])CCN(CC(=O)[O-])CC2)c1I)C(=O)[O-]
CCC1=CCN(NC(=O)c2ccccc2C)CC1
CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)NS(=O)(=O)Nc2ccc(C(F)(F)F)cc2)NC(=O)C2CC(OC(=O)N3Cc4ccccc4C3)CN2C1=O
CCCCCCCCCCCCCCCCCC(=O)NC1(COCC(=O)Oc2c(C)c(C)c3c(c2C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O3)COC(C)(C)OC1
COC1(C)CCC[NH+](Cc2cc(C(=O)NN)ccc2F)C1
CCNC(NCC(c1ccc(Cl)cc1)[NH+]1CCOCC1)=[NH+]CC(C)(O)c1ccc(C)o1
COC(=O)c1ccc(Cl)c(NC2CCCCC2OC)c1
Cc1c(CC(N)C#N)[nH]c2ccc(O)cc12
CC(C)(C(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1
C=C([NH3+])c1cnc(Nc2ccc(F)c(Cl)c2)nc1NCCCOC
Cc1nn(C)c2[nH+]cc(C(=O)[O-])c(N3CCCC4(CCOC4)C3)c12
COc1ccc(C(Br)Cc2[nH]cc[nH+]2)cc1