Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
CC(C)C(NC(=O)C1CCC[NH2+]1)C(=O)N1CCCC1C(=O)NC(CCC(=O)[O-])C(=O)[O-]
Fc1cccc(C(c2ccoc2)c2cnc[nH]2)c1F
CC(C)Oc1ncccc1C1CCCN1C(=O)OC(C)(C)C
CCC1OC(=O)CC(O)(CNc2ccc(F)c(F)c2)C(C)CC(CO)CC(C)C[NH2+]C(C)CC1(C)O
Cc1ccc(C(=O)[O-])c(C(=O)C(CO)c2ccccc2)c1
CC[NH+](CC(C)(C[NH2+]C(C)(C)C)c1ccccc1)C(C)C
Cc1cccc(c2noc(c3cccnc3N3CCC(C(=O)NC4CCCC4)CC3)n2)c1
Cc1ccc(c2csc3ncn(CC(=O)c4ccc(F)cc4)c(=O)c32)c(C)c1
CC(C)C1(C(=O)[O-])CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1
CCCn1ccc2cc(NC(=O)CCCCCC[NH3+])ccc21
Cc1nc(c2cccc(C[NH+]=C(N)Nc3cccc(Oc4ccccc4)c3)c2)n[nH]1
CC(C[NH+]1CCN(C)CC1)NC(=O)CC([NH3+])c1ccccc1
CCCCn1nc(C)c(C=CC(=O)NC2CCOc3ccccc32)c1Cl
CC(=O)c1c(C)nn(c2cc(C)ccc2F)c1C
CC[NH2+]C(Cc1ccnc(N)c1)C1(OC)CCCC1
Cc1nn(Cc2occc2C[NH2+]C(C)(C)C)c(C)c1Cl
CN1C(=O)C(CCO)OC(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1
COc1cccc2c1OC(OC(=O)[O-])OC2(C1CCCCC1)C1CCCCC1
CCc1nc(CC)n(CCCCCO)n1
CCC(NC(=O)c1ccc(N)nn1)c1cccs1
Cc1cc(c2nn3c(C(F)(F)F)nnc3s2)no1
Nc1ncc(C(=O)[O-])c2cc(Cl)ccc12
Cc1nc2ncnn2c(C)c1CCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1
Cc1cccc(C)c1OCc1nc2c3cnn(c4ccccc4)c3ncn2n1
CCNc1nc2[nH]ncc2c(c2c(F)cccc2F)n1
O=C(CSc1nncc2ccccc12)N1CCCCCC1
CC(=O)c1ccccc1N1C(=O)C(Sc2nc(C)cc(C)c2C#N)=C([NH+](C)C2CC[NH+](C)CC2)C1=O
CCCCCC(=O)Oc1ccccc1OC(CC1CCCC[NH2+]1)c1ccccc1
O=C(c1ccc(=O)[nH]c1)N1CCC(Oc2cccnc2)CC1
C=CCN(Cc1cccs1)C(=O)C(C)[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1
C=CC(F)=C(C=C(C)F)c1nc(C(N(CC2C[NH+](CC)CC2F)C(=O)C2CCCO2)C(C)(C)OC)n(Cc2cccc(F)c2)n1
CCc1nn(Cc2ccc(C(=O)OC)cn2)c(CC)c1N
CC(=O)OCOC(=O)C1=C(OP(=O)(Oc2ccccc2)Oc2ccccc2)C(C)C2C(C(C)C)C(=O)N12
C[NH2+]CC1CCCC1[NH+]1CCOC(=O)C1
FC(F)(F)C1CC[NH+](CC=CC2=CC=CN3CCS[NH+]=C23)CC1
CC(=O)N1CCCC(C(=O)N2CCN(c3ncnc4sc(C)cc34)CC2)C1
CC1OCCC1[NH2+]Cc1ccno1
CCOc1cc(C[NH2+]Cc2ccco2)c(Br)cc1OC(C)C
CC(C)C(C(=O)NC(Cc1ccccc1)CC(O)C([NH3+])Cc1ccccc1)N1CCCNC1=O
COc1ccc2[nH]cc(C3CCN(c4cccc(C)n4)CC3)c2c1
C[NH2+]CC(Nc1ncnc2c(C(N)=O)cccc12)c1cc(OC)ccc1C
CC(C)(C)c1ccccc1S(=O)(=O)Cl
CCN(CC)c1nc(N)nc(N2CCCC3CCCC32)n1
CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC[NH+](CC)CC)c2C1
O=c1c2c(cccc2c2ccncc2)cnn1CCc1ccc2ccccc2n1
Cc1cc2c(NCC3CC3(C)C)nc(Cl)nc2s1
CC[NH2+]C1CCCCCC1Cc1cc(C)ccc1OC
Cc1[nH]nc(C(=O)OCCCC(C)C)c1S(=O)(=O)Cl
FC(F)(F)CCCNc1cc(Cl)ccc1Cl
CCOCCCNC(NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)=[NH+]C
NNC(c1ccc(Br)c(Cl)c1)c1c(F)cccc1F
Cc1cccc(C(=O)N2CCc3[nH]nc(C(=O)N4CCOCC4)c3C2)c1
NC(=O)C1(Oc2ccc(Br)cc2)COC1
Cc1cc(c2nc(C(=O)Nc3cc4c(C)nn(C)c4cc3N3CCCCC3)co2)ccn1
CN(C)c1nnc(C2=NNC(=O)C2=Cc2cn(C)c3cccc(OCc4ccccc4)c23)s1
COC(=O)C(C1CC1)S(=O)(=O)c1ccc(C)c(C)c1
Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)NCCNC(=O)C[NH+](CCN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)[O-])cc3)cnc2[nH]1
CC[NH+](Cc1ccc(C[NH2+]C)cn1)C(C)CN(C)C
CSCC(C)N1C(=O)C(C)[NH2+]C1c1ccc(SC)cc1
OCC1CC[NH2+]C(c2ccncc2)C1
Cc1cc(I)cc2c1NCCC2[NH3+]
O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCCC2)c(Cl)cc1Cl)c1ccccc1
CCOCc1ccccc1NCc1ccc(OC)c(C)c1
CCCCCCCCCC(=O)Oc1ccc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)cc1OC
CCC(CSC)N(C)C(=O)c1sc2cccc(Cl)c2c1N
O=C(CCOc1ccccc1c1ccccc1)NCC1COc2ccccc2O1
N#CSc1ccc(NC(=O)c2ccc(N)nn2)cc1
C=CC1CC(CCCO)=CC[NH+]1Cc1ccccc1Br
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)C=Cc1ccco1
Cc1ccc(OCC(=O)N=Nc2c(O)n(Cc3ccccc3)c3ccccc23)cc1
CSCCC(NC(=O)NCOc1cc(C)c(Cl)c(C)c1)C(=O)[O-]
CCC[NH2+]C1CCCCC1c1nc(C2COCCO2)no1
CC(C#N)S(=O)(=O)N1CCCCO1
O=C(Cc1cccc(Br)c1)N1CCc2[nH]c3ccccc3c2C1
NC(=O)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1
COc1cc(OC)c(NC(=O)Cn2c(=O)n(c3cc(C)ccc3C)c(=O)c3sccc32)cc1Cl
CCC(C)N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NC2CCC([NH3+])CC2)c1
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC2CCC[NH2+]2)c1
COc1ccccc1CN(C(=S)Nc1cccc(C)c1)C1CC[NH+](C)CC1
CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
COc1c(CCNC(=O)C2CCC(=O)N2)cc(C)cc1C(C)(C)C
Cc1ccc(c2nc(C)c(C(=O)NCC(=O)NCc3ccccc3)s2)o1
Cc1cc(Cc2ccccc2)cc(C2CN(C(=O)CCn3nc(C)nc3C)CCO2)n1
Cc1nc(C(=O)OC(C)(C)C)cnc1Br
C[NH2+]C(c1ccc(C(C)(C)C)cc1)c1cccs1
Cc1nc(C2CC2c2nc3ccccc3[nH]2)cc(n2nc(C)nc2C)n1
Cc1ccc(C)c2c1C=Nc1ccccc1C2
CC(C)C1(c2ccccc2)CN(C(=O)C2CCc3nnn(C)c3C2)C1
CC(C)(C)CC(=O)NC1C(O)C(O)C(CO)OC1(O)CCOCCOCCSc1ccc(Cl)c(Cl)c1
CCOc1cc(C2C(c3ccc(OC)c(Br)c3)=C(O)C(=O)N2c2cccc(C(=O)OC)c2)ccc1O
CCN1C(=O)C(C)Oc2cc(Br)ccc21
Cc1ccc(SCCC(=O)NCCC[NH+](C)C)cc1
CCS(=O)(=O)N1CCC(c2nc(C(=O)Nc3ccccc3N3CCOCC3)cs2)CC1
CC(C)(C)OC(=O)N1CCCC1C(=O)NCc1ccc(N2CCCC2)nc1
CCOc1cc(NC2CCN(c3ncnc4nc[nH]c34)CC2)ncn1
Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cccc(Cl)c1C
OCCn1cnc(N2CCCCC2)c1
CCc1ccccc1N(CC(=O)NC(C)(C)CC)S(=O)(=O)c1ccccc1
CN(Cc1ccc(Cl)cc1)C(=O)N1CCCC1CC(=O)[O-]