pubchem_100k_random stringlengths 6 930 |
|---|
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)C1C1(O)C(=O)c2ccccc2C1=O |
Cc1[nH+]cc(C[NH2+]C2CC2)n1Cc1cccc(F)c1 |
O=C(NC(c1ccc(F)cc1)c1cccs1)c1ccc(C2SCCS2)cc1 |
CCc1c(C)c2cc3nc(cc4nc(cc5[nH]c(c(C)c1n2)CC=5O)c(CCC(=O)OC)c4C)c(C)c3C(C)O |
NN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S |
Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3C(N)=O)CC2)cc1C |
CC[NH+]1CCC2CCC(C1)N2C(=O)NCc1cc(Cl)c2c(c1)OCCO2 |
CCOC(=O)C([NH3+])c1sccc1C |
O=C(Nc1ccn[nH]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 |
CC(C)c1oc(c2ccncc2)cc1C([NH3+])c1cccs1 |
C[NH+]1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3N3CCN(CCC(F)(F)F)CC3)cc2)CC1 |
COc1ccc(n2c(N)c(c3nc4ccccc4s3)c3nc(C#N)c(C#N)nc32)cc1 |
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1 |
CCCCC(=O)OC(C)CC(=O)OC |
CCOC(=O)c1cc(F)c(N2CCC(NC(=O)OC(C)(C)C)C2)cc1F |
CNc1nc(NC2CC(C)C2)c2[nH]cnc2n1 |
CC(C)C1COC(=O)CCC=CCC(CC(=O)NC(CO)Cc2ccccc2)C(=O)N1 |
Nc1[nH]c(SCC(=O)N2CCCCC2)nc(=O)c1NC(=O)c1ccc(F)cc1 |
CCNC(CS(=O)(=O)c1ccc(OC)cc1)C(C)(C)C |
COc1cccc(F)c1c1cccnc1 |
CCOC(=O)[N-]C(=O)COC(=O)c1cc(OC)c(C)c(OC)c1 |
O=C(Cc1cccc(F)c1)NCC1CCOCC1 |
Cc1nc(C)c(C(=O)N2CCc3cccc(N)c32)o1 |
Cc1ccccc1N(c1ccc2oc3cccc(c4nc(c5ccccc5)nc(c5ccccc5)n4)c3c2c1)c1cccc2ccccc12 |
O=C1COc2cc(Cl)cnc2N1 |
CC[NH2+]C(CC1CC2CCC1C2)c1ccc(F)c(C)c1 |
CC(CC1(F)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 |
CC(c1cccc([N+](=O)[O-])c1)n1cnc2c1c(=O)n(C)c(=O)n2C |
NC(=O)C1(c2cccc(c3cc(c4ccnn4C4CCOCC4)c4c(N)ncnn34)c2)CCOCC1 |
CCNC(=O)CN(CC)C(=O)COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 |
CC(C)Cn1ncc2cc(Br)c(Cl)nc21 |
COc1cccc(C2=C(O)C(=O)N(c3ccccc3C)C2c2ccc(O)c(Br)c2)c1OC |
Cn1nc(c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)nc2c(=O)n(C)c(=O)nc1-2 |
CCCCN(C)C(=O)c1nc(C(=O)N(CCC)CCC)n2c1CCCC2 |
Cc1sc(C[NH2+]CCCOCC2CCCO2)cc1Br |
C[NH+]1CCC(Oc2cc3ncc(C#N)c(Nc4ccc(OCc5ccccc5Cl)c(Cl)c4)c3cc2[N+](=O)[O-])CC1 |
Cc1nc(Nc2cccc(Cl)c2)cc(C(=O)N2CCCCC2)n1 |
CC(C)[Si](OCCC12CCC3(O1)C(=CC2=O)CCC1(C)C(c2ccc4ccncc4c2)CCC31)(C(C)C)C(C)C |
CCCCOCC(O)CNc1c(F)cccc1Br |
CNC(=O)CN=C1C=NNC(=O)C1Cl |
COC1OC(Cn2cc(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn2)C2OC(C)(C)OC12 |
Cc1ccc(C[NH+](Cc2ccco2)CC(O)COc2ccccc2)cc1 |
O=C(Nc1c(F)cccc1Br)c1ccc(Br)cc1Br |
O=C([O-])C1CCC(NC(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)CC1 |
Cc1ccc(CC2(O)CCN(C(F)CCC(=O)c3ccccc3)CC2)cc1 |
CSCCCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 |
CCc1ccccc1OCC(=O)N1CCC(NC(=O)C2CC(=O)N(C(C)C)C2)CC1 |
CC(=O)Nc1cccc(CNC(=O)Cn2c3ccccc3cc2c2ccccc2)c1 |
CCOC(=O)C1CCN(C(NCc2cc(Br)ccc2OC)=[NH+]C)CC1 |
O=C(CN1CCCCC1=O)Nc1nncs1 |
CC(C[NH2+]CC1CCOCC1)CN(C)C(=O)OC(C)(C)C |
CN(Cc1ccncc1)C(=O)CC(O)(c1nccn1C)C(F)(F)F |
CCOC1CCN(c2nc(N)ncc2Cl)CC1 |
O=C(NCC[NH+]1CCc2ccccc2C1)c1nc(c2ccc(N3CCCCC3)cc2)no1 |
CC(C(=O)NOCC(F)(F)F)n1cncn1 |
[NH3+]CCC=Cc1c(Cl)cccc1Br |
Cn1cccc1CN(Cc1ccco1)C(=O)Nc1ccc(Cl)cc1 |
[NH3+]C(Cc1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)Oc1ccc(C(I)C(I)(C(=O)[O-])N(I)I)cc1 |
CCc1ccccc1C(=O)ONN |
O=Cc1cn(CCCI)c2cccc(Cl)c12 |
Cc1nn(C)c(C)c1CC(=O)Cc1cn2ccsc2[nH+]1 |
Cc1cc(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)nc(C)n1 |
CS(=O)(=O)C=Cc1cccc([N+](=O)[O-])c1 |
COc1ccc(CCN(C)C(=O)CCC(=O)c2ccccc2C)cc1 |
O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cn[nH]c1 |
O=C(NCCS(=O)(=O)[O-])c1ccc(Cl)cc1 |
COc1ccccc1C=CC(=O)Nc1c(C=Cc2cc(OC)c(OC)c(OC)c2)ccc(O)c1OC |
Cc1cc(Cl)c(NCC(Cl)=CCl)cc1Cl |
CCOc1cc(C2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccccc1 |
CCOc1ccc(c2ccnc3c(C(=O)NCc4ccc(C)o4)cnn32)cc1 |
Cc1ccccc1C(=O)Nc1ccc2nc(C)n(c3ccccc3)c(=O)c2c1 |
CCc1ccc(C=C2SC(=O)N(CCCCCC[NH2+]Cc3cccc(Nc4ccc(N=O)c(N=O)c4N)c3)C2=O)cc1 |
CC(=N)c1ccc(c2ccc(OC3OC3c3ccc(Cc4ccc(C(=O)Oc5ccc(c6ccc(C#N)c(F)c6)c(F)c5)cc4)cc3)cc2F)cc1F |
O=C(CSc1nc2sccc2c(=O)n1c1ccccc1)NNC(=O)c1ccc(Cl)cc1 |
O=C1C(=Cc2ccc(Cl)c(Cl)c2)NC(=S)N1C(=O)c1ccccc1 |
O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1cc(C(F)(F)F)ccc1Cl |
CCc1c(O)cc2sccc2c1OC |
CN(c1ccc(OCC(O)C[NH+](CCOc2ccc(O)c(C(N)=O)c2)Cc2ccccc2)cc1)S(C)(=O)=O |
C1=CC2C=CC=C(C3=c4ccccc4=C(c4ccccc4)C4C=CC(c5ccc(c6ccc7c(c6)=C(c6cccc8ccccc68)C6C=CC=CC6C=7c6ccccc6)cc5)=CC34)C2C=C1 |
Cc1cc(c2ncc3c(n2)CC(C)(C)CC3[NH3+])cc(C)n1 |
CCCCN(c1nc(C(C)C)nc(N)c1C)C1CC1 |
ON=C(CCC=Cc1ccccc1)c1ccccc1 |
CCC[NH2+]C(C)c1ccc(SCC2CCCC2)c(Br)c1 |
Cc1ccc(S(=O)(=O)N2c3ccccc3C(C#N)C3CCC32)cc1 |
Cc1cc(C)c(C(=O)CCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 |
C[NH2+]CCC1CC[NH+](C(C)C(=O)NC(=O)NCc2ccccc2)CC1 |
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(c4csc(C)n4)ccc3C(C)C)CC2)cc1 |
CCC(=O)CCCCCC1NC(=O)C2CCCCN2C(=O)C(C(C)CC)NC(=O)C(c2cn(OC)c3ccccc23)NC1=O |
CC(OC(=O)c1ccc(F)cc1Br)C(=O)NC(=O)NC1CC1 |
COCc1nc(NN)cc(NC(C)C2CC3CCC2C3)n1 |
NC(=O)CC(CCCC(N)=[NH+]O)c1coc(c2ccc(F)cc2)n1 |
O=C=NC1(c2cc(N3CCOCC3)ccc2O)CCCC1 |
CC12CCC3C(CCC4CC(O)(OC(=O)CBr)CCC43C)C1CCC2=O |
CCc1cnc(C[NH2+]C(C)c2cncc(F)c2)o1 |
CC1(C)CCC(C[NH+]2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(F)CCN(C(=O)OC(C)(C)C)CC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 |
CSCCC(C)[NH2+]Cc1ccoc1 |
CN(CC(O)C(F)(F)F)C1CCC(C)(C)CC1 |
Cc1cc(C)c2c(CC(=O)Nc3nc4scc(C)n4n3)noc2c1 |
COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c(Br)c(Br)c1O |
CC1C[NH+](Cc2cn(C)nn2)CCC1Br |
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