pubchem_100k_random stringlengths 6 930 |
|---|
C=CCOc1ccc(C2C(C(=O)OCC)=C(C)N=c3sc(=Cc4cccnc4)c(=O)n32)cc1 |
Cc1ccc(N(C)CC(C)C(=O)[O-])c(C#N)c1 |
CNc1ncnc(N2CCc3ccccc3C2)c1Br |
Nc1ccc2c(c1)C(=O)N(CC(=O)OC(Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC3CC3)c1)C2=O |
CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1c1ccc(C)c(Cl)c1 |
COc1ccccc1NC(=S)Nc1cccc(SC(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2)c1 |
CN(CCCNC(=O)CSc1nnc(c2ccc(Cl)cc2)n1Cc1ccco1)c1ccccc1 |
C=CCn1nnnc1NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 |
CCCS(=O)(=O)Nc1cnc2ccc(c3ccc(O)c(OC)c3)nc2n1 |
Cc1cncc(NS(=O)(=O)C(C)C)c1 |
O=C(c1cccnc1)N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 |
CN(Cc1cccs1)C(=O)C[NH+]1CCCC(C=O)C1 |
Bc1nc(C(=O)CC2CN(C(=O)OC(C)(C)C)C2)ccc1OC |
CC[NH+](CC)CCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc2c(F)cccc2s1 |
COc1ncccc1C1=CC(=O)CCC1 |
Cn1nnc(C[NH+]2C(C(=O)[O-])CCC3CCCCC32)n1 |
C=CCc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCc1cccc(F)c1 |
Brc1ccc(CNc2cccc(c3nnco3)c2)o1 |
CCN1CCN(C(=O)NCc2nccnc2c2ccsc2)C(=O)C1=O |
[NH3+]C(CNC(=O)c1ccc(O)cc1O)c1ccccc1 |
Cc1ccc(C(=O)NNc2ncnc(Nc3cccnc3)c2N)cc1 |
CCC(=O)Nc1ccc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1 |
O=[N+]([O-])c1cccnc1OCC1CO1 |
CC(C)C(NC(=O)c1ccco1)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 |
Nc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc2c(c1)OCCCO2 |
C[NH+](C)C(C)(C)CNC(=O)c1nc(C(C)(C)C)n2ccccc12 |
Cc1ccc(N)cc1NS(=O)(=O)c1ccc(C#N)cc1C |
NC(CC1(C[NH2+]Cc2sccc2Br)CC1)=[NH+]O |
CC(C)CCS(=O)(=O)NC(CC(=O)[O-])C(=O)[O-] |
CC(C(=O)NC1CC1)C1CCC2(C)Cc3sc(NC(=O)c4cccs4)nc3C(C)C2C1O |
CC1(C)CCCCC1Nc1cc(N)ns1 |
CCNC(=[NH+]Cc1ccccc1n1ccc(C)n1)N(C)Cc1csc(C)n1 |
O=CC1=CC(O)(Cl)CC=C1 |
Cc1nc(c2ccc(n3cc(C(=O)Nc4ccc(Br)c(C)c4)c(C)n3)cc2)no1 |
O=C1CCON1CCC1CCC[NH2+]C1 |
C[NH2+]C1CC[NH+](CCc2c(F)cnc3ccc(OC)nc23)CC1O |
Cc1nc(NC(=O)CNC(=O)C([NH3+])C(C)C)sc1Cc1cccc(Cl)c1 |
NC(CC([NH2+]Cc1ccon1)c1ccccc1)=[NH+]O |
CC(C)CC1[NH2+]C2(CCCC2)C(=O)N1CC1CCSCC1 |
CCc1nnc(C)cc1C(=O)Nc1cnn(c2ccccc2)c1C(C)C |
O=C(Nc1ccc(Br)cc1)c1cc2[nH]c(NC3C(Cl)=CN=CC3Cl)nc2cc1OCC(F)(F)F |
CCc1cc(Br)c2c(Br)csc2c1 |
COc1cccc(N2CC(NC(=O)c3ccnc(OC4CCSC4)c3)CC2=O)c1 |
CC(C)C([NH3+])C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC(=O)[O-])C(=O)[O-] |
C[NH+]1CCCC2C[NH+](CCCC(N)=S)CCC21 |
O=C(NCc1ccc2c(c1)OCO2)C(Cc1cccnc1)c1ccc(F)cc1 |
C[NH+]=C(NCC(=O)NCCc1ccccc1)NCc1cccc(OC)c1OC1CCCC1 |
COc1cc(C=C2SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Cl)c1OCc1ccccc1Cl |
CCCc1c(N)ncnc1N(CCOC)C(CC)CC |
Cc1nn2c(NC3CCCCNC3=O)cc(c3ccccc3)nc2c1C |
CCC(CC)NC(=O)C1CC(=O)N(c2cc(C)ccc2C)C1 |
CCCCOc1cc(CC(O)O)cc(OCCCOc2ccc(C(C)=O)c(O)c2CCC)c1 |
CNC(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C(=O)NCC(=O)Nc3ccc(C(=O)NC4CCCCC4C)cc3)CC2)c(C)c1 |
CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)OC(=O)CCCCCCCCCC=CCC=CCCCCC |
Clc1ccc(NC2CCCCC2c2ccccc2)cn1 |
Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)c2c1C |
COc1ccc(OC)c(NCCC2CCCO2)c1 |
CC(C)COc1ccc(C(CC[NH3+])[NH+]2CCCC2)cc1C(C)C |
O=C([O-])c1ccnn2cc(c3cccc(F)c3)[nH+]c12 |
C=CC(=O)N1CCN(c2nc(=O)n(c3ccccc3CCC)c3cc(c4c(O)cccc4F)c(Cl)cc23)C(C)C1 |
CCCCCCCCC(=O)NC(NC(=S)N1CCOCC1)C(Cl)(Cl)Cl |
O=C1CN(C(=O)c2ccc(Cl)o2)C2CCCCC2N1 |
Oc1cncn1c1ccccc1 |
CC1CC(N2CCCCC2=[NH2+])C1C |
Cc1c(C(C)NC(=O)c2cc(Br)ccc2Cl)cnn1C |
c1ccc(c2nc3ccccc3nc2c2cccc(n3c4ccccc4c4c5c6ccccc6n(c6ccc7sc8ccccc8c7c6)c5ccc43)c2)cc1 |
CC(C)N(C)C(=O)C1CCc2c(sc3ncnc(Nc4cc([S-])c(N=N)cc4Cl)c23)C1 |
CCOc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1Cl |
Cc1noc(C(C)NC(=O)N2CC(C)CC2(C)C)n1 |
Cc1oc(c2ccccc2)nc1CCOc1ccc(CC(C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 |
N#Cc1ccc(c2ccc(c3nc4cc(C(=O)[O-])[nH]n4c(=O)c3C3CCCCC3)cc2)cc1 |
CC1CC[NH+](Cc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C(C)C)CC1 |
CCc1nsc(Sc2ncc(C[NH2+]C3CC3)cn2)n1 |
COC(=O)c1cc2c(cc1OS(C)(=O)=O)OCC2CO |
CC[NH2+]CC1CCC(N(C(=O)[O-])c2cc(C)n(Cc3cc(Cl)ccc3OCC(C)C)n2)CC1 |
CCOC(C)(C)C[NH2+]C1CCN(c2ccccc2)CC1 |
CC1Cc2ccccc2N1C(=O)c1cccc(C(=O)NCCC[NH+](C)C)n1 |
CCOC(=O)c1cn(Cc2cccc(C)c2)c2ccc(Br)cc2c1=O |
CCC1(CO)CCN(S(=O)(=O)CC2CCCCC2)CC1 |
O=C1CC=NN1c1nccnn1 |
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)OCCOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOC=CNC(=O)CCCCCCCCCC[Si](OC)(OC)OC)OC(=O)CCCCCCCCCCCCCCCCC |
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCCSc1ccccc1 |
C=CC(=O)OC1CCCC(OC(=O)C=C)C1 |
CC(C)(C)[NH2+]CC(=O)N1CCCC1C(=O)c1nnc(C(C)(C)C)o1 |
N#CC1CN(c2ccccc2Cl)CC1=O |
C=C(O)CCCNS(=O)(=O)c1ccccc1C1CCN(C(=O)C2(Oc3csc(C(F)(F)F)c3)CCCN(C(=O)c3ncccc3C(F)(F)F)C2CCC)CC1 |
CC(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cscn1 |
N#CC(NC(=O)C1(c2ccccc2)CC1)C1CCCCC1 |
Cc1ccc(NC(=O)c2cccc(NC(=O)C[NH+]3CCC(C(=O)NC(C)C(=O)Nc4ccc(C(=O)NC5CCCCC5)c(Cl)c4)CC3)c2C)c(F)c1 |
CC(C)C[NH2+]Cc1ccccc1COCC[NH+](C)C |
CC[NH+]1CCC(NC(=O)N2CC[NH2+]CC(C)(F)C2)CC1 |
CCOC(=O)CCC(=O)CC1CC1 |
Cc1cccc(C2(C(=O)N3CCn4ncnc4C3)CCCC2)c1 |
C[NH+](CCO)Cc1nnc(N)s1 |
CC#CCC(=O)C1C2CCc3ccccc3C21 |
C#Cc1ccccc1C(=O)N(CCC=C)Cc1ccccc1 |
C1=CC2C=CC=C(C3=c4ccccc4=CC4C=CC=CC34)C2C=C1 |
O=C(Nc1cccc(c2ccc(N3CCCC3)nn2)c1)Nc1ccccc1F |
COCC(C)n1c(SCC(=O)NC(C)c2ccc3c(c2)CCCC3)nc2ccccc2c1=O |
Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)cc1C |
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