smiles
stringlengths 7
778
|
|---|
CCOC(C)(C)S(=O)(=O)[O-]
|
COc1ccccc1N(CCC(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O
|
O=C(CC1c2nc(OC3CC3)ccc2-c2cncn21)C1CCCCC1
|
ClCCc1nnc(Cc2ccc(Br)cc2)o1
|
CC(=O)c1cnc(C2CCCS2)nc1C
|
CNC(=O)C([NH3+])CCCNS(=O)(=O)c1ccc(C)cc1
|
CCc1nc(NC(=O)NCCc2nc(Cc3ccccc3)no2)nn1C
|
OCCc1cn(c2cccc(O)c2)nn1
|
CC1C[NH+](C2CC[NH2+]CC2C)CC1O
|
Cc1ccccc1SCc1ccc(Br)c(N)c1
|
COC(=O)c1cc(F)ccc1NC1CCCC([NH3+])C1
|
O=C(Oc1ccc2oc(c3ccco3)cc(=O)c2c1)c1ccccc1
|
CC[NH2+]C1CC2c3ccc(F)cc3CC12
|
CCOCC1CC(CC(C)C)(C(=O)[O-])N(C(=O)c2ccc(C(C)(C)C)c(Cl)c2)C1c1nccs1
|
FC(F)(F)c1c2c(nn1c1nc(c3ccncc3)cs1)-c1ccccc1CC2
|
CC(C)NC(=O)CC[NH2+]Cc1ccc(C(N)=[NH+]O)cc1F
|
COCC1CCN(C(=O)c2ccc(=O)n(c3cnn(C)c3)c2)CC1
|
CC(Cl)C(=O)NC(=O)N(C)Cc1ccsc1
|
OB(O)c1ccc(c2cscn2)nc1
|
O=C(COc1ccccc1[N+](=O)[O-])NNS(=O)(=O)c1c(F)cccc1F
|
O=C(NC1CC1)c1ccc2nc(c3ccc(F)cc3)c(c3ccc(F)cc3)nc2c1
|
Cn1ccnc(N2CC(C)(C)CC(C)(C)C2)c1=O
|
O=C(C=Cc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl
|
CC1=C(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc2C1C(C)C1CCN(C(=O)COCCOCCOCCOCC(=O)[O-])CC1
|
C[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)NCCOC(C)C
|
COC(=O)C(Cc1ccc(NCCCn2ccc3ccccc32)cc1)OC
|
CN(CC(=O)N(Cc1nnc(c2ccc(Cl)cc2)o1)C1CC1)S(=O)(=O)c1cccnc1
|
CCC(CC)(C(NN)C1=CCCCCCC1)[NH+](C)C
|
CC(C)CCNC(=O)Cc1ccc2c(c1)OCO2
|
CC(C)(CO)C(C)([NH3+])C(=O)c1cccc(Cl)c1
|
COc1ccc(Br)cc1S(=O)(=O)Cc1ccncc1
|
N#CC(CCC(=O)[O-])Cc1cc(Oc2ccccc2)ccc1N
|
O=C([O-])c1ccc(C[NH2+]CC(=O)N2CCCC2)cc1F
|
CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CN(CC[NH+]2CCOCC2)C(=O)C1=O
|
Cc1ccc(Sc2c(N)c(C)nn2C)c(C)c1
|
Cc1ccc(c2c(Cl)ccc3c2C[NH2+]CCC3)s1
|
Cc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)Nc3ccccc3)c2=O)cc1
|
O=C([O-])c1ccc(NC(=O)c2sc3ccccc3c2O)cc1
|
Cc1ccc(N2CCC(CNC(=O)OC(C)(C)C)CC2)nc1C#N
|
COc1cccc(C2CC(=O)Nc3c2ncn3c2ccc(F)c(Cl)c2)c1OC
|
COc1ccc(NS(=O)(=O)c2ccc(NC(C)c3ccccc3OC)c([N+](=O)[O-])c2)cc1
|
CC[NH2+]C(CO)CSC1CCOC1C
|
CCCCCCCCC=CCCCCCCCC(=O)NC(CCC([NH3+])O)C(=O)[O-]
|
Cn1nc2n(c1=O)CC([NH3+])CC2
|
CC1CCN(c2ccc(C(=O)N3CCOCC3C(=O)[O-])cc2[N+](=O)[O-])CC1
|
CC[NH+](Cc1ccccc1)C1=C(Sc2nc(C)cc(C)c2C#N)C(=O)N(c2ccc(Cl)cc2)C1=O
|
Cc1ccc(NC(=O)c2cccc(C)c2NC(=O)C(C)NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C(=O)N4CCCC(C)C4)cc3C)CC2)cc1F
|
COC(=O)c1ccc(C(C)NC(C)=O)c(Cl)c1
|
CC(C)CN1C(CCc2ccccc2)=[NH+]OC1(C)Cc1ccccc1
|
CC(C)CC(C)N(C)C(=O)C=Cc1cccc(N)c1
|
Cc1cc2nc(c3cc(F)ccc3F)cc(N)n2n1
|
CCCCn1nnnc1C[NH+](Cc1ccc(OC)cc1)C1CC1
|
CCC(NC(=O)C(C)Sc1ccc(OC)c(OC)c1)c1ccccc1
|
O=S(=O)(Nc1ccc(c2noc(Cc3cccc(F)c3)n2)cc1)c1cccs1
|
CCOC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
|
O=C(CCCC1CCCO1)c1ccc(Br)cn1
|
C=CCOc1c(C[NH2+]CCCn2ccnc2)cccc1OC
|
O=C(Nc1ccccc1Cl)c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1
|
Cc1nc(Cn2cc[nH+]c2C2CCN(C(=O)c3cc4ccccc4s3)CC2)cs1
|
CC1CC(C)C[NH+](CCCNC(=O)NC(C)(CO)C2CC2)C1
|
Cc1cccc(CCC(=O)N2CCCC2c2ccc3c(c2)OCCO3)c1
|
CCCCc1cc(CCCC)c2c(c1)C(C)c1cc(CCCC)cc(CCCC)c1OP(=O)([O-])O2
|
Cc1c(NC(=O)N2CC(C)(C)C2(C)C)cccc1N1C(=O)CCC1=O
|
CCCCN(C(=O)COC(=O)c1cccc(Br)c1)c1c(N)n(CCC)c(=O)[nH]c1=O
|
CCCOc1ccc(NC(=O)C(=O)NC(C)CC)cc1
|
C[NH2+]C1CCC([NH+](C)C2CC(C)CC(C)(C)C2)CC1
|
CCc1ccsc1C(=O)NCCc1cccc(C(=O)[O-])c1
|
CC(C)c1nc(C[NH+](C)C2CCN(C(=O)C3(C4CC4)CCOCC3)C2)no1
|
OC(O)=C(O)C(Cl)CCCCl
|
CCOc1ccc2nc(SCc3nnc(SCC(=O)c4ccc(F)cc4)n3c3ccccc3)sc2c1
|
NC(=O)c1ccc(C(NCl)C(N)=O)cc1
|
O=C(NC1(CBr)CCCCC1)c1ccc2c(c1)OCO2
|
CC(C)c1ccc(C([NH3+])CNC(=O)CCC(=O)N2CCOCC2)cc1
|
CCC(NC(=O)C(C)=CC(=O)Nc1ccc(C(C)=O)cc1)C(=O)[O-]
|
CCC1CCC(CNS(=O)(=O)c2cccc(F)c2N)CC1
|
Clc1cc(Br)cc(C(Br)c2cnn(c3ccccc3)c2)c1
|
CCc1ccc2c(CSc3nnnn3Cc3ccc(OC)cc3)cc(=O)oc2c1
|
CC(C)(C)C(Cn1cnc2ccccc21)OC(=O)[O-]
|
CCCCCC(NN)c1cccc(S(C)(=O)=O)c1
|
O=Nc1c(O)[nH]c2cc3oc4ccccc4c3cc12
|
COCOCCOc1cc(OC)ccc1B(O)O
|
Nc1ccc(N(C(=O)Nc2ccno2)c2ccccc2)cc1
|
O=C(OCCCCCCCCCCCC1CCOC1=O)c1ccccc1
|
C=CC[NH2+]C(CCC(=O)[O-])C(O)c1cc(C)ccc1OC
|
CCC1CCC(C)N1C(=O)c1cc([N+](=O)[O-])cnc1NC
|
CCOc1cccc(C[NH2+]C2(CO)CCC(C)CC2)c1O
|
Oc1ccccc1c1nc2ccccc2o1
|
[NH3+]CC1C[NH+](Cc2cncc(Br)c2)C1
|
C[NH+]=C(NCC1CCC[NH+](CC(C)C)C1)NC1CCCN(c2cccc(OC)c2)C1
|
CCC(C)(C)c1ccc(C([NH2+]C)c2ccccc2C)cc1
|
CC(C)C([NH3+])CC(=O)Nc1ccc(CC(N)=O)cc1
|
CCCCCCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccc(Cl)cc12
|
[C-]#[N+]c1ccc2c(c1)ncn2c1cc(O)c(C(=O)OC)s1
|
O=C(NCCCCCCI)c1c(Cl)cccc1[N+](=O)[O-]
|
CCn1ncc2c(Nc3ccccc3)c(C3=NOC4(C3)CS(O)(O)C4)cnc21
|
Cn1cc(Br)cc1C(=O)NNC(=O)c1cnn(c2ccccc2)n1
|
CCC[NH+]1CCCC1COc1cc(NC(=O)c2cccnc2NCc2ccnc(OC)c2)cc(C(F)(F)F)c1
|
Cc1cc(C)c2c(CC(=O)Nc3ccc(Nc4cc(c5ccccc5)ncn4)cc3)noc2c1
|
O=c1nc[nH]c(NCc2ccc(F)c(Cl)c2)c1Cl
|
O=c1[nH]c(NCCCCO)c(I)c(=O)[nH]1
|
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