smiles
stringlengths 7
778
|
|---|
CC(c1ccc(Cl)cc1)N(C)c1c(F)cccc1CO
|
O=C(NN=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)NC1CC1
|
CC(NC(=O)C(=O)NCC(N)=S)c1nccs1
|
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)(C)C[NH+](C)Cc2ccc(OC)c(OC)c2)C1c1cc([N+](=O)[O-])ccc1F
|
COc1ccc(c2csc(NC(=O)CSc3nnc(c4ccccc4[N+](=O)[O-])o3)n2)cc1
|
COc1ccc(S(=O)(=O)NCc2nc3cc(F)ccc3n2C)cc1
|
CCc1ccc(OCCn2c(CNC(C)=O)nc3ccccc32)cc1
|
COc1ccc(CNS(=O)(=O)c2c(C)n[nH]c2C)cc1
|
CCCCC(CC)CNC(=O)CCC(=O)NNC(=O)c1cccc(F)c1
|
CCCC1CC1NC(=O)NCC(O)COc1cccc(C)c1
|
C=CCOc1ccc(C(=O)Oc2ccc(OC(=O)C(CC)CCCC)cc2)cc1
|
Cc1[nH+]c(S(=O)(=O)N2CCC(C(=O)OC(C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cn1C
|
COC=NC(C#N)C(=N)C#N
|
CCC(C)NC(=O)C[NH2+]CC1CN(C)CCN1C
|
CC(C)OCC1(O)CCCc2ccccc21
|
COc1cc(C(=O)N2CCCN(c3nc4ccccc4o3)CC2)cc(P)c1OC
|
CSC(C)C[NH2+]Cc1cc(Br)c(C)s1
|
CCC(CC#N)C(=O)c1ccnc2ccccc12
|
COc1cccc(NC(=O)CSc2nc3c(sc4ccccc43)c(=O)n2CCc2ccccc2)c1
|
O=C(Nc1ccc(c2n[nH]c(C3CC3)n2)cc1)C1CCN(c2ccc3nncn3n2)CC1
|
CCCCC(CC)C(=O)N1CCN(c2nccc(c3cccc(C(F)(F)F)c3)n2)CC1
|
CCCCCCCCCCCC(=O)O[Bi](OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
|
CC(C)(O)C(=O)N1CC[NH+](CCC2COc3cc(Oc4ccc(c5ccn[nH]5)cn4)ccc32)CC1
|
CCN(CC)C(N)=[NH+]CCc1c(C)[nH]c2ccccc12
|
CCC(C)(C)C1CCC(O)(c2ccccc2OC)CC1
|
CCCN(C(=O)c1ccc(Cl)cc1Cl)C1CCC([NH3+])CC1
|
CC1C2CCc3c(N4CCCC4)nc(c4ccnc5ccccc54)nc3C2(C)CCC12OCCO2
|
CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccccc2Cl)cc1
|
O=C([O-])CN1C(=O)SC(=Cc2ccc(OCc3ccccc3)cc2)C1=O
|
CC(NC(=O)C(C[NH3+])CC(C)(C)C)C1CC1
|
CCC(C)CC(C)NC(=O)C1(C(N)=[NH+]O)CC(C)C1
|
CCOC(=O)c1n[nH]c(CC([NH3+])C2CC2)n1
|
CCCCOC(=O)C1CCC2(CCC[NH2+]C2c2ccccc2)C1=O
|
COc1ccc(c2n[nH]c(=S)n2CC(=O)Nc2cccc(CN3CCCC3=O)c2)cc1
|
CCC(CS(=O)(=O)[O-])[NH2+]C1CCCCC1
|
CC1CCCC(COc2cc(Br)cc(C#N)c2)C1
|
O=C(CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1
|
Cc1c(S(N)(=O)=O)cnn1Cc1cccc(F)c1
|
CC(C)c1oc(c2ccc(Cl)cc2Cl)nc1CO
|
CCCN(Cc1ccc(C(=O)OC)cc1)c1nc(=O)c2[nH]c(C3CCCC3)nc2[nH]1
|
CCC(C)(C)n1nnnc1C(c1cc2cc(OC)c(OC)cc2[nH]c1=O)[NH+](Cc1cccnc1)CC1CCCO1
|
CCOC(=O)ON1CCN(C(=O)C(CCC(=O)OC)NC(=O)c2cc(OC3(C(=O)OCC)CCC3)n(c3ccccc3)n2)CC1
|
Brc1ccc2c(c1)-c1cncnc1C2
|
[NH3+]C1N=NC(Cc2ccccc2)=CS1
|
NS(=O)(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
|
COC(=O)c1coc(CNc2ccc(C(F)(F)F)nc2)c1
|
CCn1c(=O)c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21
|
CC(Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
|
C=CC[NH+]1CC(=O)N2C(Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c3[nH]cc4c3ccc(C(=O)NN4CC[NH+](C)CC4)cc3)CC2N1NCc1ccccc1
|
Cc1ccc(CC(=O)Nc2c(C)cccc2C(C)C)cc1
|
CCc1nc(SCc2cc(Br)ccc2OC)n[nH]1
|
O=C([O-])C1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)C1
|
Clc1ccc(C[NH2+]CC2CCCCCN2)s1
|
CCC1C[NH+]=C(NCc2nc(C)cs2)S1
|
O=C(c1ocnc1C(F)(F)F)N1CCCSCC1
|
CC(C)CCNC(=O)CNC=O
|
CCN(C)C(=O)C[NH2+]CCCC(C)O
|
Cc1ccn2ncc(C(=O)NCC(F)(F)CN)c2n1
|
Cc1cccc(C)c1NCC(=O)N1CC=C(c2ccccc2)CC1
|
N#CCOC(c1ccc(F)cc1)c1ccc(F)cc1
|
CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(NC(N)=O)cc2)c1
|
CCOc1ccc(C[NH+](C)CC2CC2C(=O)[O-])cc1
|
COc1ccccc1OCCN(C)C(=O)c1ccn(C2CCC[NH2+]C2)n1
|
COCC(=O)N(CCc1ccc(OC)cc1)Cc1cc(C(=O)NCC2CC2)no1
|
Cc1ccn2c3c(nc2c1)CCC(C(=O)NC1CCCCCC1)C3
|
O=S1(=O)C=Cc2cc(Cl)c(Cl)cc21
|
N#Cc1ccc(C([NH3+])C2CC2)cc1Br
|
CCOC(=O)c1nc2cc(OC)c(OC)cc2c(=O)n1NC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1
|
CCCc1cc(C(=O)[O-])cc(NCC2CCCO2)n1
|
COc1nc(OC)nc(C2C(=O)Nc3ccccc32)n1
|
O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1
|
CC[NH+](CC)CCCNC(=O)c1cccnc1OC1CCSC1
|
COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C(C)C)cc1
|
Cc1ccc(SCCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1
|
O=C(CCCC(OC1CCCCO1)c1ccccc1)N1C(=O)CCC1c1ccccc1
|
O=C([O-])C1C[NH2+]CCN1C(=O)c1cn[nH]n1
|
CCC(C)NC(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3C(=O)Nc3ccc(F)c(NC(=O)C(C)C)c3)CC2)c1
|
Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)C3c3ccc(OCc4ccccc4)cc3)s2)cc1
|
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1
|
C[NH2+]C(c1ccc2ncccc2c1)c1snnc1C(C)C
|
CCOc1ccccc1C(=O)NC(C(=O)Nc1nnc(C2CC2)s1)C(C)C
|
C[NH+](CC(N)=[NH+]O)C1CCC(C)(C)CC1
|
CC(C#N)C1(C)CC[NH+](Cc2cc(C(F)F)ccc2F)CC1F
|
CNC(=O)C1CN(C(=O)CC(C)(C)CC([NH3+])C(O)CC(C)C(=O)[O-])c2ccccc21
|
C[NH+](C)CCNc1nc(N)nc(Nc2cc3cn[nH]c3c(c3cc4ccccc4s3)c2)n1
|
CC(C)OC1(F)C=CC=CC1n1nnn(C)c1=O
|
[NH3+]CC=C1CCN(c2ccccc2)CC1
|
CCc1c(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)cnn1C(C)(C)C
|
Cc1nn(C)c(C)c1CN(C)C(=S)NC1CCCCC1
|
COc1cncc(c2cc3c(cn2)[nH]nc3c2cc3c(ccnc3c3cccnc3)[nH]2)c1
|
Cc1nn(C)c2nc(c3cccs3)cc(C(=O)Nc3nn(C)c(C)c3Cl)c12
|
CC(C)[NH2+]Cc1ncnn1Cc1ccc(C(F)(F)F)cc1
|
CSCCC(NC(=O)C(CS)NC(=O)C([NH3+])CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)[O-]
|
COc1ccccc1C(=O)ONc1ccc(N=NC(=O)c2cc(O)cc(O)c2)cc1
|
COC(=O)c1ccc(COC(=O)c2ccc(S(=O)c3ccc(C(=O)[O-])c(C(=O)OCc4ccc(C(=O)OC)cc4)c3)cc2C(=O)[O-])cc1
|
Cc1cnc(C)c(c2cc(O)c3c(c2)CN(C(=O)c2cc(C)[nH]n2)CCO3)n1
|
Cc1cccc(C(=O)Nn2cnc3c(cnn3c3ccccc3)c2=O)c1
|
CCC[NH2+]CCc1nnc(CCc2ccco2)s1
|
CC(C)CC(NC(=O)COc1ccccc1C(C)(C)C)C(=O)NC(Cc1ccc(OC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1)C(=O)[O-]
|
CNc1nc(C)nc(NCc2ncccc2C)c1C
|
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