smiles
stringlengths 7
778
|
|---|
Cc1ccc(Nc2nc(CSc3n[nH]c(CC4CCCC4)n3)cs2)cc1
|
CC(C)CC1[NH2+]C(C(C)C)C(=O)N1C1CCCC(C)C1
|
Cc1ccc(S(=O)(=O)N2CCCCCC2CO)cc1F
|
CC([NH2+]Cc1ccc(Br)c(F)c1)c1nnc2n1CCC2
|
O=C(NC1(C(=O)[O-])CCCCCC1)c1c(O)cccc1O
|
CCCCNS(=O)(=O)c1c(Cl)cc(C#CCCO)cc1Cl
|
O=C(NCc1ccccc1OCCO)c1cc(F)cc2cccnc12
|
C=CCCC(C(C=C)=CC1C(C)c2ccc(I)cc2C1(C)C)=C1C=CC=CC1
|
CS(=O)(=O)NCCC1CCCCN1c1nc(c2ccccc2)ns1
|
CN1CC[NH+](CC(O)C2CCC[NH2+]CC2)CC1
|
Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3C(N)=O)c2)cc1S(=O)(=O)N1CCOCC1
|
NC(=O)CSc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
|
CC(C)(C)CC(CC(=O)[O-])NC(=O)c1cc(Cl)nc(Cl)c1
|
CN(CC[NH+]1CCCC1)C(=O)c1ccc(n2cccc2)cc1
|
[C-]#[N+]C(=CC(C)(C)OCC)C(=O)N1CCCC(n2nc(c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
|
CCNC(NC(C)c1cccc(N2CCCC2)c1)=[NH+]CCCCn1c(C)cccc1=O
|
C#CCCCC(NN)C1CC2CCC(C1)[NH+]2C
|
CNC(C#N)CC[NH+]1CC(C)CC(C)C1C
|
O=C(Nc1ccc(Cl)cc1)Nc1ccc(N=Nc2ccccc2)cc1
|
Cc1ccc(C(=O)C[NH+]2CCc3sccc3C2)cc1C
|
O=c1nc(c2ccncc2)[nH]c2c1C[NH+](Cc1ccccc1Cl)CC2
|
CCCCNC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)Cc1cc(OC)ccc1C)C(C)CC
|
CC(C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC(NC(=O)C2CCC2)C1
|
CCC(C[NH3+])(CO)Cc1cccc(Cl)c1
|
O=C(c1cc(F)cc(F)c1)N1CCC(C(=O)N2CCOCC2)CC1
|
Cc1ccc(C(=O)NCc2cscn2)cc1
|
CCC(C)N(CC(=O)[O-])C(=O)c1ccc(OC)cc1N
|
CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(c3ccc(=O)n(C)n3)c2[nH+]1
|
COc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N(C)CCC3=CCC(C4=[NH+]CCN4)C=C3)co2)C2CCC2)c(C)c1
|
COC(=O)C(Cc1ccc(CCCN(C)c2ccccc2)cc1)n1cccc1
|
CCc1ccccc1n1nnc2c1C(=O)OC2=O
|
CCC(Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(SCC(C)C)s1
|
Cc1cc(OC(C)C)nc(N(C)CC(C)(C)C[NH3+])n1
|
CC(CNC(C)(C)C)[NH2+]CC1(c2ccccc2)CC1
|
CCC1OC1CCc1ccc(C)cc1F
|
COCCS(=O)(=O)NCC(c1cccc(OC)c1)[NH+]1CCCCC1
|
CC[NH2+]C(CC1CCCC1)c1coc2ccccc12
|
[NH3+]CCC(=O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1O
|
C=C(C)CC1N2C(=O)C3CCCN3C(=O)C2CC12C(=O)Nc1cc(OC)ccc12
|
Cc1c(NC(=O)Cn2c(N)nnc2SCC#N)c(=O)n(c2ccccc2)n1C
|
CN(C(=O)COc1ccccc1Cc1ccccc1)C1CC2CCC(C1)[NH2+]2
|
CC(C)C(=N)C(O)C(O)C(O)C(C)O
|
Cn1ncnc1CCNC(=O)C[NH+](C)C1CCCC1
|
[NH3+]CC1CCC1Cc1c(F)ccc(Br)c1F
|
COc1ccccc1C(=O)c1nc2ccccc2c2ccccc12
|
CCC(C)(C[NH3+])C(=O)N(CC(=O)[O-])CC(C)C
|
CCC(C)(C)n1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)[NH+]1CCN(Cc2ccccn2)CC1
|
CCOC(=O)Cc1cc(Br)c([N+](=O)[O-])cc1F
|
CC1(C)CN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1C1CCCO1
|
CC(CC([NH3+])Cc1ccc(O)cc1)C(=O)NN
|
CCCCCCCCCCCCCCCCCO[Si](C)(C)Oc1cccc(C)c1
|
C1=CC2CCCCCC(=CCC1)CCCCC2
|
COc1ccccc1OCC(=O)Oc1ccc2nc(c3ccccc3)oc2c1
|
CCC[NH+]1CCC(NC(=O)c2cn(c3ccccc3Cl)nn2)CC1
|
Cc1ccc(C)c(NC(=O)c2ccccc2)c1
|
CCCCCCCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1C
|
CC(C(=O)NC1CC1)[NH+]1CCN(Cc2cnc(N(C)C)nc2)CC1
|
ClCCc1nnc(NCCC2CCOC2)o1
|
CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)N1CCN(c2cccc(C)c2)C(C)C1
|
CC1CCCCC12NC(=O)N(CC(=O)NC1CC[NH2+]C1)C2=O
|
COc1ccc(NC(=O)c2coc(CC[NH3+])n2)cc1
|
CCN(Cc1cccs1)c1ccc(Br)cn1
|
COC(=O)Nc1nc2c(OC)ccc(c3csc(c4ccc(C)nc4)n3)c2s1
|
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1
|
COc1ccccc1N1CC[NH+](CC(O)CSc2ccc(F)cc2)CC1
|
CC([NH3+])=CC(=O)OCCC[NH+]1CCCC1Cc1ccc(Cl)cc1
|
CCN(Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccccc1C
|
COc1ccc(S(=O)(=O)N2CCN(C(=O)CCOc3cccc(C)c3C)CC2)cc1
|
COCc1ccc(C2CCCN2C(=O)c2ccc(Cl)cc2)o1
|
CC(Oc1ccccc1F)C(=O)NNC(=O)c1cc(Br)ccc1Cl
|
CC(C)(C)OC(=O)Nc1cccn(C(CC2CCCCC2)C(=O)NC(CO)CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1=O
|
BB(B)B(B)B(B(B)B)B(B)B(B(B)B)B(B)B
|
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(c3ccccc3)cc2)cc1
|
CC(C)(C)c1cc(N=Nc2ccccc2Sc2ccccc2)c(O)c(C(C)(C)C)c1
|
Cc1cccc(C2=C(O)C(=O)N(c3cccc4cccnc34)C2c2ccc(C(C)(C)C)cc2)c1
|
Cc1c[nH]c(Nc2ccccc2)c1c1nccc(c2cccnc2)n1
|
OCCCN(CCCO)c1ccc(C#Cc2ccncc2)cc1
|
C1=CC2C(C1)CC2[NH2+]CCc1ncno1
|
CC1(C(=O)NCc2ccccc2)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1
|
CN(C(=O)N1CCNC(=O)C1CC(=O)[O-])C1CC[NH2+]CC1
|
CCS(=O)(=O)NCc1cccc2c1cnn2c1nc2c(c(NCc3cccc(F)c3)n1)CC[NH2+]C2
|
COc1ccc(C=NNC(=O)C(=O)N2CCc3ccccc3C2)cc1
|
[NH3+]C(Cc1ccccc1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
|
NC(=O)C(OC(=O)C(F)(F)F)C1CC1
|
CCC[NH+]1CCCC(O)(Cc2cncc(Br)c2)CC1
|
COCCC(NC(=O)CNC(=O)c1cccs1)C(=O)[O-]
|
COc1ccc(N)c(Nc2cc(C)ccc2C)c1
|
O=C(CCCC1CCCO1)c1ccc(I)cc1
|
Cc1ccc(N)cc1C(=O)N(CCC#N)CCC#N
|
O=C(NC(CCc1ccccc1)C(=O)[O-])c1cccnc1
|
O=c1[nH]c(c2cnsc2)nc2sc3c(c12)CCCS3
|
CC(=O)N1CCC2(CC1)Cn1cc(c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c([O-])c1C(=O)N2
|
NC(=O)NC(=O)C[NH2+]C(CO)CO
|
C=CC(C(CO)NC(=O)OC(C)(C)C)N([O-])Cc1ccccc1
|
N#CCc1cc(c2ccccc2)cc(Cl)n1
|
C=CCOc1ccc(C[NH2+]CC2(O)CCCC(C)C2)cc1
|
Cc1nn(CC(F)(F)F)c(C)c1O
|
CCn1c(=N)n(CC(=O)NC(C)C(=O)N(C)C)c2ccccc21
|
CC(=O)N(C(=O)C[NH3+])c1ccc(c2ncc(C(=O)[O-])c(=O)[nH]2)cc1
|
CCOc1ccccc1N(CC(=O)N(Cc1ccccc1C)C(Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1
|
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