smiles
stringlengths 7
778
|
|---|
O=C(NCCC[NH+]1CCOCC1)c1cc2sccc2n1CCc1ccccc1
|
COC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)C(CSC(C)=O)C1CCc2cc(Br)ccc21
|
Cc1nn2ccc(c3ccccc3C(F)(F)F)nc2c1NC(=O)c1ccncc1
|
Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1
|
[N-]=[N+]=NCCOCCNC(=O)CBr
|
COCCC(C)Nc1ccc(Cl)nn1
|
CCOC(=O)C1CCCCN1C(=O)NC(C)CC(=O)[O-]
|
O=C([O-])CN(c1ccccc1)S(=O)(=O)c1cccnc1Cl
|
CCS(=O)(=O)c1ccc(Oc2cc3nc(c4ccccn4)[nH]c3cc2C2OCC(CO)O2)cc1
|
c1ccc(C([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1
|
CCC(C)(O)CCCCCCCC1OCCO1
|
NNc1ccc(C(=O)N2CCC(CO)CC2)nc1
|
c1ccc2c(c1)c1ccccc1n2c1ccc2oc3ccc4c5c3-c3c(ccc1c32)oc5ccc4n1c2ccccc2c2ccccc21
|
CSc1[nH+]cc(C(=O)N2CCN(c3ncccn3)CC2)n1c1ccccc1
|
CCc1cccc2c(C(CC(=O)NCC[NH+]3CCOCC3)c3ccccc3OC)c[nH]c12
|
CCc1cccc(C)c1NC(=O)c1ccc[nH]c1=O
|
COCc1cc(Cl)nc(c2cc(C)ccn2)n1
|
O=C(NCCCCl)NC1CCCCCCCCCCC1
|
C=CCNC(=O)CSc1nc(=O)cc([O-])n1c1cccc(C)c1
|
CC[NH+]1CCn2c(ncc2c2ccccc2)C12CCN(C(=O)COC)CC2
|
[NH3+]CCC1CC[NH+](C2CCCCNC2=O)C1
|
Cn1cncc1C(=O)N1CCOC(C(=O)C2CC2)C1
|
CC[NH+](CC)C1CC2(CC[NH2+]C2)Oc2cc(C)c(Cl)cc21
|
CC1(C)CCC(NC(=O)c2c(F)ccc(N)c2F)CC1
|
COc1ccccc1C(=O)COc1cc(C)ccc1F
|
C#CCC(CC(C)=CCCCNS(=O)(=O)c1ccc(C)cc1)(C(=O)OC)C(=O)OC
|
CC1(C)CC(O)CCN(CC#N)C1
|
CC(=O)OC(C[NH2+]C1(C)Cc2cc(C)c(C)cc2C1Cc1ccccc1)c1ccc(OCc2ccccc2)c(N)c1
|
Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)n1CC(F)(F)F
|
CN1CCN(C(=O)COc2ccccc2N)CC1=O
|
Cc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1c1ccc(F)cc1
|
Cc1cc(C)cc(COc2c(C)cccc2C)c1
|
CN(C)c1ccc(C=CC2=[N+](C)c3ccc4ccccc4c3C2(C)C)cc1
|
CC(C)(C)OC(=O)NC(C[NH+]=C(NCCc1ccco1)NCC[NH+]1CCOCC1)C1CC1
|
CCOc1cc(C=C(C#N)C(=O)NC(C)c2ccccc2)cc(Cl)c1OCC
|
C=CC(C)(C#N)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
|
Nc1ccc(CC(=O)N(CCO)CCO)c(N)c1
|
O=[N+]([O-])C1CN(c2ccccc2)C1c1ccccc1Cl
|
Cc1cc(C(=O)NC2(C(=O)[O-])CCCCC2)c(C)n1C(C)C
|
Cc1ccn2c(=O)cc(C[NH+]3CCOC(CO)C3)nc2c1
|
CCCNC(=O)Cc1ccc2ccn(C3CC[NH+](CCc4ccc(F)cc4)CC3)c2c1
|
COC(=O)c1ccccc1NC(=S)N(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O
|
Cc1ccc(C(=O)Nc2ccccc2F)cc1NC(=O)C(C)NC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)N3CCCC(C)C3)c2C)CC1
|
CC(=O)Nc1cccc(n2c3ccccc3nc2c2nc(c3cnn(C4CC[NH+](C)CC4)c3)cnc2N)c1
|
Cc1cc(C)c(C(O)(CC[NH3+])c2ccco2)c(C)c1
|
O=S(=O)(Nc1cccc(F)c1)c1ccc(c2nnc(C3CCC3)o2)s1
|
CCCCCCCCCCCCCCCCCCC1=[NH+]CC(C(C)O)N1
|
C=C(C)C(=O)c1cc(C)nnc1C
|
CC(=O)OC1CC2C(C)(C)CCCC2(C)C2CCC3C(=O)OC4OC(OC(C)=O)C12C43
|
COc1ccc(C(CS(=O)(=O)c2ccc(C(=O)[O-])cc2)c2ccccc2)cc1
|
N=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN=NN
|
CS(=O)(=O)c1ccc(Cn2c(C(=O)[O-])c(c3ccc(C(=O)[O-])cc3)c3cc(Cl)ccc3c2=O)cc1
|
C=C=CC(OC(C)=O)C1OC(OCC)C=CC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
|
COc1ccc(Cl)c(CNc2nc(=O)nc3[nH]n(Cc4cnc5ccc(C)cc5c4)cc2-3)c1F
|
CC1(C)C(=O)NCC[NH+]1C1COC1
|
CCCCCC(OC)c1cccc(c2nc(NC(=O)c3cc(Cl)c(C=C(C)C(=O)[O-])c(Cl)c3)sc2N2CCOCC2)c1F
|
COc1cccc(Cc2nc(C(C)[NH3+])cs2)c1
|
Cc1ccc2nc(c3ccc(NC(=O)Cn4c(=O)c(Sc5nc6ccccc6s5)c(c5ccccc5)c5cc(Cl)ccc54)cc3)sc2c1
|
Cc1ccn2c(=O)c(C(=O)NCC(C)(C)C(O)C(C)C)cnc2c1
|
CCn1ccc(c2cccc(c3nc(C(F)(F)F)nc(C)c3C)c2)n1
|
O=[N+]([O-])c1cccnc1NCc1ccccc1n1cccn1
|
COc1ccccc1C(=O)Nc1cccc(C(=O)N2CCCCC2C(=O)[O-])c1
|
Cn1cc(CCC(=O)N(Cc2ccccc2)C2CCS(=O)(=O)C2)cn1
|
COc1ccc(Cc2ccc(Cl)cc2)cc1N
|
CCCC1CCCC([NH+]2CCC(C(=O)[O-])CC2C)CC1
|
Cc1noc(COC(=O)c2ccccc2NC(=O)CSc2nccn2C)n1
|
COc1ccc(C(O)CN(C)S(=O)(=O)Cc2cccc(C)c2)cc1
|
CC(C)[NH+]1CCC(N(C(=O)C2CC2)S(=O)(=O)CC(N)=O)CC1
|
O=C(NNC(=O)C1CCCc2ccccc21)c1ccc(Br)s1
|
COc1cccn(C(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1=O
|
Cc1cc(C)cc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1
|
CNc1cc(C2CC2)[nH+]c2c(F)c(Cl)ccc12
|
CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)CC1
|
COc1nc(OC)nc([N+]2(CC(O)c3ncccn3)C(C)CNCC2C)n1
|
CCOC(=O)C(CSc1nnc(C)o1)([NH2+]C)C1CC1
|
O=C(Nc1cccc2cnccc12)c1ncn[nH]1
|
O=C([O-])C(Cc1ccccc1Cl)CC1CCCO1
|
C=CC(=O)OCCCCCNC(=O)OCCc1ccc(OCC(O)COC(=O)NCCCCCOC(=O)C=C)cc1
|
COc1ccc2c(c1)CCN(C1CCN(c3cc(Oc4ccc(NC(C)=O)c(C)c4)ncn3)CC1)C(=O)N2
|
[NH3+]C(CSC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)C(=O)[O-]
|
CCOC(=O)c1nn(Cc2nc(C)cs2)cc1N
|
Cc1cc2onc(CC(=O)Nc3nc4scc(c5ccc(Cl)cc5Cl)n4n3)c2cc1C
|
CCc1c(N)cc(CC2CO2)c(Cc2c(CC3CO3)cc(N)c(CC)c2CC2CO2)c1CC1CO1
|
CCCCCCCCCCCCCCc1ccccc1OC(CC)COC(=O)CCC[N+](C)(C)Cc1ccccc1
|
CN1CC(C(=O)NCc2cccc(Oc3ccc(Cl)cc3)c2)C(=O)C1=O
|
CCCCC(C(=O)NCC1CCCCC1)[NH+]1CCC(CNC(=O)c2cc(Cl)c(N)[nH]c2=O)CC1
|
CCCCCCCCCCCCCCCCCCOc1cc(C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC
|
O=C(C1CCCO1)N(Cc1ccc(c2ccccc2)cc1)Cc1ccco1
|
COc1ccc(NC(=S)N(Cc2ccc(OC)c(OC)c2OC)CC2CCCO2)c(OC)c1
|
O=C([O-])c1cccc(n2nnc(S(=O)(=O)c3ccccc3Cl)c2c2ccc(Br)cc2)c1
|
Cc1cc(NC(=O)C(C)Sc2nnc(C(C)C)n2C2CC2)on1
|
CCOC(=O)Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3cccc(OC)c3)C2c2ccc([O-])c([N+](=O)[O-])c2)cc1
|
C[NH+]=C(NCCNC(=O)C(C)(C)C)NCC(C)(C)c1cccs1
|
O=CN1CCN(C(=O)CCN2C(=O)c3cccc(F)c3C2=O)CC1
|
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c(OCc4cccc(Cl)c4)c(OCC)c3)c(=O)n2C1c1ccc(C)cc1
|
COC(=O)c1c(C)[nH]c2c(OC(=O)N3CC[NH+](C)CC3)cc3c(c12)C(CCl)CN3C(=O)c1cc2cc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)ccc2o1
|
CC(OC1CCCCCC1)C(=O)N1CCOCC1C(=O)[O-]
|
CC1(C)CCCC(=O)C1(c1ccccc1)c1ccccc1
|
CC(C)NC(=O)c1cc(c2ncc(F)c(N3CCCC3C(=O)NCC(F)(F)F)n2)c[nH]1
|
CCCNc1cc(NCC2CCC[NH+]2CC)nc(SC)n1
|
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