smiles
stringlengths 7
778
|
|---|
CC(NC(=O)OCc1ccccc1)C(=O)N(c1ccc2ccccc2c1)C(C)C(=O)[O-]
|
CCC(C)CN(C)S(=O)(=O)c1cc(Br)cnc1NN
|
O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
|
CS(=O)(=O)CCNCC1CCCCCC1
|
N#Cc1ccccc1NC(=O)COC(=O)C=Cc1ccc2c(c1)OCCCO2
|
CC1(C)C[NH+](C(CNc2cn[nH]c(=O)c2Cl)c2ccc(Cl)cc2)CCO1
|
CC(C)C[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC(O)COC(C)(C)C
|
COc1cccc2c3c(cnc12)C(=O)c1ccccc1C3=O
|
CS(=O)(=O)c1cc(N2CCCC(CC(N)=O)C2)ccc1[N+](=O)[O-]
|
[NH3+]C(c1ccc2nc[nH]c2c1)C1CCC1
|
CCC(CC)c1ccc(CC2([NH3+])CC2)cc1
|
CC[NH2+]C(Cc1ccccn1)c1ccc(F)cn1
|
CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2cc(F)ccc2F)c1
|
CC(NC(=O)C[NH+]1CC(O)C(O)C1)C1CC2CCC1C2
|
CCCn1cc(Br)cc1C(=O)NCC(C)(C)C[NH+](C)C
|
COc1cccc(NC(=O)C(=O)NCc2c(C)cc(C)nc2OC)c1
|
CC(C)(C#N)NC(=O)c1cccc(c2cnc3[nH]c(c4cnc(C(F)(F)F)nc4)cc3c2)n1
|
CCC(CC)C1CC(=O)C=CO1
|
CCC([NH2+]C)c1cccc(Oc2ccc(F)c(Br)c2)c1
|
Cc1nc(c2ccccc2Br)n2c1CCC([NH3+])C2
|
N#CCNCC1CCSCC1
|
Nc1cccc(C(=O)NCC2C[NH+]3CCCC3CO2)n1
|
CSc1nc2nc(C)c(CC(=O)Nc3ccc(N(C)C4CCCCC4)c(F)c3)c(C)n2n1
|
COC(=O)c1ccc(NC(=O)c2cn3ccsc3[nH+]2)cc1
|
Cc1cccc(Oc2ccc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)C3c3ccccc3)cc2)c1
|
CCOc1ccccc1NC(=O)C(C)[NH+]1CCN(C(C)c2cccc(OC)c2)CC1
|
O=C(C[NH+]1CCCC(c2nnc3n2CCCCC3)C1)NCCC1=CCCCC1
|
CC1(C)C(=O)C(C)(C)c2c1c1cccnc1c1ncccc21
|
COc1ccccc1CNC(=O)c1ccnc(OC2CCOC2)c1
|
COC12CCC([NH2+]C(CCSC)C(=O)OC(C)(C)C)C(C)C13CC[NH+](C)C2Cc1ccc(O)c(O)c13
|
CCNC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc2c(c1)OCCO2
|
Clc1ccc(Oc2ccccc2)c(C[NH2+]C2CC2)c1
|
O=C([O-])CCNC(=O)c1cc(I)cc(I)c1O
|
CC[NH+](Cc1ccccn1)Cc1ccc(N)cc1Br
|
COc1cc(Sc2cccc(Br)c2)c(N)cc1F
|
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(c3ccc(Br)s3)o2)cc1
|
CCCc1nc(Cl)c(I)c(c2ccccc2)n1
|
c1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4Sc4cc(c5ccc6c(c5)c5ccccc5n6c5nc6ccccc6c(c6ccccc6)n5)ccc43)cc2)cc1
|
COCCNC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1
|
Cc1ccc(c2nc(C)sc2CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1
|
COc1ccc(CNC(=O)N(Cc2ccccc2)Cc2ccco2)cc1OC
|
Cc1ccc(c2ccc(N3CCCN(C(=O)CN(CC4CCCO4)C(=O)C(C)C)CC3)nn2)cc1
|
Cc1cnc(C)c(NCc2cc3c(s2)CCC3)n1
|
CCCOCC1CC(CC(C)C)(C(=O)OCC(C)C)N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)C1c1nccs1
|
CC[NH2+]C(c1csnn1)c1ccc(C)c(F)c1F
|
CCN=NC(C)N[NH+](C(C)C)C(C)C
|
CC(O)CNc1nc2ccccc2n1CC(=O)N(C)C1CC1
|
COc1ccc(CC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1
|
O=C([O-])C1CN(C(=O)CSc2cccc(Br)c2)CC1C1CC1
|
O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
|
O=C([O-])C(O)CCc1ccc(Br)cc1
|
CC(C)(C)OC(=O)Nc1ccc(C(N)=S)cn1
|
CCCCCCc1cc2c(c(Cl)c1[Si]c1c(C)cc3c(c1Cl)Cc1ccccc1-3)Cc1ccccc1-2
|
CC(C)N(Cc1ccccc1)S(=O)(=O)Cc1ccc(F)cc1
|
CCc1ccccc1Nc1ncnc(NNC(=O)c2ccccc2F)c1N
|
CCOC(=O)c1nnn(c2ccccc2)c1N
|
CSCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C
|
CC=C1CCC(C)N(Cc2cccc(F)c2)C1=O
|
CCOC(=O)Cc1c(C#N)cc(SC(F)(F)F)cc1OC(F)F
|
CC1(C(=O)NC(c2cccs2)C2CCCC2)CCC[NH2+]C1
|
CC(C)(C)C12COC(c3ccc(C(Br)CBr)cc3)(OC1)OC2
|
COc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)cc1
|
COc1cc(C2C(C#N)=C([NH3+])Oc3n[nH]c(C)c32)ccc1OCC(=O)N1CCCC1
|
O=C(c1ccccc1)C1CCN(C(=O)CCCCCn2c(=S)[nH]c3ccccc3c2=O)CC1
|
O=C(COc1ccccc1C(F)(F)F)c1cc(Cl)sc1Cl
|
Cc1cncc(C#N)c1OC1CCC(OC2CC3CCC(C2)N3C(=O)OC(C)(C)C)CC1
|
CC([NH3+])C1CCCCN1C(=O)CCn1cncn1
|
CN(C)C(=O)c1cc(C(=O)NC(Cc2ccc(c3cc(Cl)ccc3F)cc2)CC([NH3+])C(=O)[O-])n[nH]1
|
CCc1nc(Br)cc(NCCCC(C)O)n1
|
CCC[NH2+]CCc1c(F)cccc1F
|
O=C(COc1ccc2cc(Br)ccc2c1)NCC1CCC[NH2+]C1
|
OC(c1ccc(n2cccc2)cc1)c1ccc(F)cc1C(F)(F)F
|
CCOC(=O)C([NH3+])Cc1ccc(C=Cc2c(Cl)cccc2Cl)cc1
|
CCCCCCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)COC(C)(CC)C4
|
COc1ccc(c2nn(CCNC(=O)NCc3ccccc3)c(=O)n2C)cc1
|
CCCCCCCCc1nnc(c2c(F)c(F)c3c(F)c(c4nnc(CCCCCCC)s4)c(F)c(F)c3c2F)s1
|
Nc1nc(N)nc(COC(=O)COc2ccc(Cl)c3ccccc23)n1
|
CCCOc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4c3ccccc3)cc2)cc1
|
Cc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c(Cl)c1
|
COc1cc(CC(=O)NC2CCCC(C(F)(F)F)C2)ccc1C
|
CN1CC(=O)N(Cc2ccccc2F)c2cc(N)ccc21
|
COc1ccc(F)c(CCC2([NH3+])CC2)c1Cl
|
CC(C)CC([NH3+])C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCC[NH3+])C(=O)[O-]
|
O=C(c1ccc(F)c([S-])c1)N1CCN(c2nccs2)CC1
|
CCC(C)C(=O)Nc1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)Nc4ccccc4F)cc3C)CC2)ccc1C
|
CC(C)C[NH2+]Cc1cc2ccccc2nc1N(C)C1CC1
|
CCCC1(CC)C=C1COc1ncc(N2CCC2)cn1
|
CCOC(=O)c1nc(C(=O)NCC2(SC)CC2)cs1
|
Cn1cnnc1CC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
|
CCCN(CCC)C(=O)C[NH+](C)Cc1cccc(OC)c1
|
Cc1ccc(c2nnc(CCC(=O)N(C)C(C)c3ccc(n4cncn4)cc3)o2)cc1
|
CCC[NH2+]C(C)c1ccnc(N2CCC(CC)CC2)c1
|
Cc1ccccc1N1CC(C(=O)Nc2ccccc2F)CC1=O
|
O=C1NC2(CC[NH2+]CC2)C(O)N1CC[NH+]1CCCC1
|
CC(C)SCc1cc(Cl)nc(Cl)n1
|
c1ccc(c2noc(C[NH+]3CC4C[NH2+]CC4C3)n2)nc1
|
CCC(C)C(NC(=O)C(CS)NC(=O)C(C)[NH3+])C(=O)NC(C)C(=O)[O-]
|
COc1cccc2cc(C(=O)N3CCCC(c4nnc(c5cccs5)o4)C3)oc12
|
COc1cc2c(cc1OC)OC(C)(C)C=C2
|
O=C(Nc1nc2c(s1)CCCCCC2)c1cn[nH]n1
|
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