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tox21_random.txt
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tox21_random.txt
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Nc1cc2nc3cc(N)ccc3cc2cc1.[Cl-].c12c([n+](C)c3c(c1)ccc(N)c3)cc(N)cc2 NCGC00178831-03
c12cc(Br)c([O-])c(Br)c1oc1c(Br)c(=O)c(Br)cc-1c2-c1ccccc1C([O-])=O.[Na+].[Na+] NCGC00166114-03
C1(C)OC(OC2C(C3(C)CCC(C4(C)OC5(CC(O)C(C)C(C(C6C(OC)C(OC)C(C)C(O)(CC(=O)[O-])O6)C)O5)CC4)O3)OC(C3OC(C)(O)C(C)CC3C)C2)CC(OC)C1OC.[NH4+] NCGC00263563-01
CN(c1ccc(C(c2ccccc2)=C2C=CC(=[N+](C)C)C=C2)cc1)C.c1c(N(C)C)ccc(C(c2ccccc2)=C2C=CC(=[N+](C)C)C=C2)c1.O=C(C(=O)O)[O-].OC(C([O-])=O)=O.OC(=O)C(=O)O NCGC00013058-02
C(Cc1c[nH]c2ccccc21)(C(=O)NC(CC(C)C)C(=O)NC(C(N1C(C(NCC)=O)CCC1)=O)CCCNC(N)=N)NC(=O)C(NC(C(CO)NC(=O)C(NC(C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1)=O)Cc1c2ccccc2[nH]c1)=O)Cc1ccc(O)cc1.CC(O)=O NCGC00167516-01
C(CCCCCCNC(C(c1ccc(SC(C)C)cc1)O)C)C NCGC00018301-05
[N+](=O)(c1ccc(C)c2c1[Hg]O2)[O-] NCGC00249897-01
C(N(CC)C(SSC(=S)N(CC)CC)=S)C NCGC00016000-18
Cl.C(CCC)CCOc1ccc(C(N(CCCC)CCCC)=N)c2ccccc12 NCGC00181091-01
[nH]1c(CCCN(CCC2(OC(=O)COC)CCc3cc(F)ccc3C2C(C)C)C)nc2ccccc12.Cl.Cl NCGC00094089-01
CCCCC(CC)CNC(NC(NCCCCCCNC(NC(=N)NCC(CC)CCCC)=N)=N)=N.Cl.Cl NCGC00094996-01
c12ccc(F)cc1CCC(C(O)CNCC(C1CCc3c(ccc(F)c3)O1)O)O2.Cl NCGC00263579-01
C(C)(C)(C)CC(C)(c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1)C NCGC00095016-05
C(CCNC(NN=Cc1c[nH]c2ccc(OC)cc12)=N)CC NCGC00095192-05
Clc1ccc(C(CCl)=O)c(Cl)c1 NCGC00091258-05
O(C1OC(C)C(O)C(O)C1O)C1CC(O)C2(CO)C(O)(CCC3C4(O)C(C)(C(C5=CC(=O)OC5)CC4)CC(O)C32)C1 NCGC00263656-01
C(CCC[N+](C)(C)C)CCCCCCCCCC.[Br-] NCGC00166121-03
c1cc(OCC[N+](C)(C)CCCCCCCCCCCC)ccc1.[Br-] NCGC00257773-01
c1ccc[n+](CCCCCCCCCCCCCCCC)c1.[Br-] NCGC00091023-06
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-] NCGC00091112-09
[O-][N+](c1cccc(C2C(C(OC(C)C)=O)=C(C)NC(N)=C2C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)c1)=O NCGC00167436-02
O[N+](=O)[O-].c1n(CC(c2ccc(Cl)cc2Cl)=NOCc2ccc(Cl)cc2Cl)ccn1 NCGC00177980-03
C1C2(C)C(O)(C#C)CCC2C2CCC3=Cc4oncc4CC3(C)C2C1 NCGC00179665-04
N1(CC2=NC(=O)N=N2)CCOC(OC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C1CCC(F)CC1 NCGC00344566-01
O1COc2c3c[n+](C)c4c5cc6c(cc5ccc4c3ccc21)OCO6 NCGC00015959-09
C1CCCC(c2cc(C)cc(=O)n2O)C1.C(CN)O NCGC00017112-10
N(C)(CCOC(=O)C1=C(C)NC(C)=C(C(OC)=O)C1c1cccc([N+]([O-])=O)c1)Cc1ccccc1 NCGC00015747-09
C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)COC(=O)C1=C(C)NC(C)=C(C(OC)=O)C1c1cc([N+]([O-])=O)ccc1.Cl.Cl NCGC00167493-04
c12c(cccc1)Sc1c(cccc1)C2CC1CCCN(C)C1.Cl NCGC00273481-01
c12c(C(F)(F)F)cccc1c(C(C1CCCCN1)O)cc(C(F)(F)F)n2.Cl NCGC00161831-04
C1CN(CCOc2ccc(C(c3c4ccc(O)cc4sc3-c3ccc(O)cc3)=O)cc2)CCC1.Cl NCGC00015889-11
S(C(=S)N(C)C)C(=S)N(C)C NCGC00159424-04
S=C(N(C)C)SSC(N(C)C)=S NCGC00091563-12
C(N1c2ccccc2Sc2ccc(Cl)cc21)CCN(C)C NCGC00015273-19
C1C(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CCN(CCc2ccc(OC)cc2)C1 NCGC00257649-01
c1c(O)c2c(cc1)CC1C(=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C1)C2=O NCGC00262909-01
OC(C(=O)O)C.c12c(N)c3c(nc1cc(N)cc2)ccc(OCC)c3.O NCGC00096056-02
C(OCC)(=O)CCN(C(=O)c1cc2c(n(C)c(CNc3ccc(C(=NC(=O)OCCCCCC)N)cc3)n2)cc1)c1ccccn1 NCGC00262929-01
C1C2(C)C(CCC3C4(O)CCC(C5=CC(=O)OC5)C4(C)C(O)CC23)CC(OC2CC(O)C(OC3OC(C)C(OC4CC(O)C(OC5OC(CO)C(O)C(O)C5O)C(C)O4)C(O)C3)C(C)O2)C1 NCGC00159441-03
C1(OC2OC(C)C(OC3OC(C)C(O)C(O)C3)C(O)C2)C(C)OC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3C2)CC1O NCGC00142623-04
c1c(C2CCC3(O)C4C(C5(C)CCC(OC6C(O)C(O)C(O)C(C)O6)C=C5CC4)CCC23C)ccc(=O)o1 NCGC00344555-01
c1cc2c(cc1)C(=O)C=C(C)C2=O NCGC00016258-06
Brc1cc(Br)c(O)c(C(=O)Nc2ccc(Br)cc2)c1 NCGC00159476-09
C1(=O)c2c(O)cc(C)c3c(O)cc4c(c23)-c2c1c(O)cc(O)c2C(=O)C4(C)C NCGC00160275-03
C(CCCCCC[N+](C)(C)CC)CCCCCCCCC.[Br-] NCGC00166120-02
C(COc1ccc(C(CC(C)(C)C)(C)C)cc1)OCC[N+](C)(C)Cc1ccccc1.[Cl-] NCGC00016373-08
C(COCC[N+](C)(Cc1ccccc1)C)Oc1ccc(C(C)(C)CC(C)(C)C)c(C)c1.[Cl-] NCGC00016789-06
C(SCc1ccc(Cl)cc1)(Cn1cncc1)c1ccc(Cl)cc1Cl.[O-][N+](O)=O NCGC00018250-06
c12nc3c(c(C=NOC(C)(C)C)c1Cn1c(=O)c4c(cc1-2)C(CC)(O)C(=O)OC4)cccc3 NCGC00253588-01
c1(I)cc(C(c2c(CCCC)oc3ccccc23)=O)cc(I)c1OCCN(CC)CC NCGC00015096-17
c1(CCCN(C)CCC2(OC(=O)COC)C(C(C)C)c3c(cc(F)cc3)CC2)[nH]c2c(cccc2)n1.Cl.Cl NCGC00161420-06
N1(CCC2N(C)CCCC2)c2cc(SC)ccc2Sc2ccccc21.Cl NCGC00260347-01
CCCCCCCCCCOCC(O)CN.Cl NCGC00166070-02
C(n1cncc1)C(c1ccc(Cl)cc1Cl)OCc1ccsc1Cl NCGC00167430-04
OC(=O)C=CC(=O)O.C1N(C)C(CCOC(c2ccccc2)(C)c2ccc(Cl)cc2)CC1 NCGC00016710-05
c12ccccc1N(CCC1N(C)CCCC1)c1c(ccc(SC)c1)S2 NCGC00016059-13
C1CN(C)C2c3c(c4c(cc31)OCO4)Oc1c(OC)cc3c(c1)C(N(C)CC3)Cc1cc(c(OC)cc1)Oc1ccc(cc1)C2 NCGC00161621-03
c1cc(C(F)(F)F)cc2c1Sc1ccccc1C2=CCCN1CCN(CCO)CC1 NCGC00162179-08
C1C(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc32)CCN(CCN2CCNC2=O)C1 NCGC00181782-03
c12c(C(c3cccs3)=O)c(O)n(C(=O)N)c1ccc(Cl)c2 NCGC00263542-01
C(C(C(O)=O)(C(C(=O)O)CCCCCCCCCCCCCCCC)O)C(=O)O NCGC00167547-02
c1c2c(ccc1F)NC(=O)C2=CC1=C(C)C(C(=O)NCCN(CC)CC)C(C)=N1.OC(C(O)=O)CC(O)=O NCGC00164631-05
c1(N)ccc2c(c1)nc1c(c2)ccc(N)c1.c1c2ccc(N)cc2nc2c1ccc(N)c2.O=S(=O)(O)O NCGC00166245-04
c12ccccc1c(O)c(C)cc2O NCGC00253592-01
c1(O)c([N+](=O)[O-])cc(C(=O)c2ccc(C)cc2)cc1O NCGC00181767-03
c1cc2c(C)cc(=O)oc2cc1O NCGC00016345-08
C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-] NCGC00164283-07
c1ccc(C[N+](C)(CCCCCCCCCCCCCC)C)cc1.[Cl-].O.O NCGC00187943-02
c1c2[n+](CC)c(C=CC=C3C=Cc4ccccc4N3CC)ccc2ccc1.[I-] NCGC00166247-02
c1cc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)ccc1Cl.[N+](=O)(O)[O-] NCGC00179596-03
C#CC1(O)C2(C)C(C3CCc4cc(OC5CCCC5)ccc4C3CC2)CC1 NCGC00166146-02
CC(C)=CCCC(=CCCC(C)=CC(OCC(=O)C1(O)C2(C)CC(O)C3C(CCC4=CC(=O)C=CC43C)C2CC1)=O)C NCGC00261967-01
c1cc(-c2ccc(C(n3ccnc3)c3ccccc3)cc2)ccc1 NCGC00018254-08
c1cc(OCCN2CCCCCC2)ccc1Cn1c(-c2ccc(O)cc2)c(C)c2c1ccc(O)c2.OC(C)=O NCGC00182055-03
C(COCCOCCOCCOCCOCCCCCCCCCCCC)OCCOCCOCCOCCO NCGC00166290-03
c1c(Cl)ccc2c1C(=Cc1ccc(Cl)cc1)c1c-2c(C(CN(CCCC)CCCC)O)cc(Cl)c1 NCGC00167490-03
N(CC)(CCNc1c2c(=O)c3c(sc2c(CO)cc1)cccc3)CC NCGC00016622-08
c1c(C(CC)=O)ccc2c1N(CCCN(C)C)c1ccccc1S2.Cl NCGC00015838-06
Cl.C(Cn1c2c(c3ccccc31)cccc2)CN1CC(C)NC(C)C1.Cl NCGC00025187-02
c1(C(F)(F)F)ccc2c(c1)N(CCCN1CCN(C)CC1)c1c(cccc1)S2.Cl.Cl NCGC00186653-01
c12ccccc1[nH]c(=S)n(CCN1CCC(C(c3ccc(F)cc3)=O)CC1)c2=O.Cl NCGC00025302-02
O=c1[nH]sc2c1ccc(Cl)c2 NCGC00262908-01
c1ccc2c(n1)C(=C1CCN(C(=O)OCC)CC1)c1c(cc(Cl)cc1)CC2 NCGC00015619-13
c1(COC(c2ccc(Cl)cc2Cl)Cn2cncc2)c(Cl)cccc1Cl NCGC00179642-03
C(CN(C)C)C=C1c2cc(Cl)ccc2Sc2c1cccc2 NCGC00013683-06
c12ccccc1CCc1c(cccc1)N2CCCN(C)C NCGC00015563-13
O1C2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C(C)C(OC)C=C1 NCGC00179536-02
CN1CCN(CCC(=O)N2c3cc(C(F)(F)F)ccc3Sc3c2cccc3)CC1 NCGC00160483-02
c1c(F)ccc(Cn2c(NC3CCN(CCc4ccc(OC)cc4)CC3)nc3ccccc23)c1 NCGC00016913-14
c1c2c(ccc1)cc(C(Nc1scc(-c3ccccc3Cl)n1)=O)n2CC(O)=O NCGC00167729-03
C(CN1CCN(C)CC1)CN1c2c(ccc(Cl)c2)Sc2ccccc21.O=C(O)C=CC(=O)O.C(C=CC(=O)O)(O)=O NCGC00015856-10
C(=C)(c1ccc(C(O)=O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C NCGC00181016-04
Cc1c(C)ccc(N2C(=O)C(=NNc3c(O)c(-c4cccc(C(=O)O)c4)ccc3)C(C)=N2)c1 NCGC00274067-01
N1(C=O)C2C3(C4C(CC)(C=CCN4CC3)C(OC(C)=O)C2(O)C(OC)=O)c2cc(C3(C(=O)OC)CC4CN(CCc5c3[nH]c3ccccc53)CC(O)(CC)C4)c(OC)cc21 NCGC00263543-01
C1CC2C(C)(CC(=CO)C(=O)C2)C2CCC3(C)C(O)(C)CCC3C12 NCGC00263581-01
Oc1c(Cl)cc(Cl)c2c1nccc2 NCGC00095264-04
c1c(OC)c(O)ccc1C=CC(OC1C(OC)C(C(OC)=O)C2CC3N(CCc4c5ccc(OC)cc5[nH]c43)CC2C1)=O NCGC00253604-01
c12c(c(O)c(O)cc1)-c1cccc3c1C(N(C)CC3)C2 NCGC00025349-05
O=C1c2c(c(OC)ccc2)C(=O)c2c(O)c3c(c(O)c21)CC(C(=O)CO)(O)CC3OC1CC(N)C(OC2CCCCO2)C(C)O1 NCGC00344543-01
Clc1cc2c(cc1)Sc1c(cccc1)N2CCCN1CCN(CCO)CC1 NCGC00015826-13
[N+](c1c2cccnc2c(O)cc1)([O-])=O NCGC00160664-03
c1ncn(CC(OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)c1.O[N+]([O-])=O NCGC00018258-10
C12CCC(O)(C#C)C1(C)CCC1C2CCC2=CCCCC12 NCGC00179676-03
[O-]P(=O)(OCCCCCCCCCCCCCCCC)OCC[N+](C)(C)C NCGC00095169-05
c1(Cl)ccc(OCCOC(=C(C)n2cncc2)c2ccc(Cl)cc2Cl)cc1 NCGC00249921-01
C1CC(OC(C)=O)(C#C)C2(CC)C1C1C(C3CCC(=NO)C=C3CC1)CC2 NCGC00344561-01
OCCN1CCN(c2cc(Nc3sc(C(=O)Nc4c(Cl)cccc4C)cn3)nc(C)n2)CC1 NCGC00181129-06
C(CN(CC)CC)Oc1cc2c(cc1)-c1ccc(OCCN(CC)CC)cc1C2=O NCGC00095196-06
C(N(CCSC(C(c1ccccc1)c1ccccc1)=O)CC)C NCGC00159449-04
C1(N(C)C)C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)C3C(O)C12.Cl NCGC00161602-06
C12(O)C(=O)C(C(=O)N)=C(O)C(N(C)C)C1CC1C(=C2O)C(=O)c2c(cccc2O)C1(O)C.Cl NCGC00017323-08
c1(N)c(S)ccc(C(F)(F)F)c1.Cl NCGC00262926-01
C(C(COC(Nc1ccccc1)=O)OC(=O)Nc1ccccc1)N1CCCCC1.Cl NCGC00166142-04
O(C(C(NC1CCc2c(cccc2)N(CC(O)=O)C1=O)CCc1ccccc1)=O)CC.Cl NCGC00165740-05
c1(O)c(Cc2c(Cl)c(Cl)cc(Cl)c2O)c(Cl)c(Cl)cc1Cl NCGC00091195-08
c1cc(Oc2ccc(NC(c3cc(I)cc(I)c3O)=O)cc2Cl)ccc1Cl NCGC00160556-02
c1c(Oc2ccc(Cl)cc2Cl)c(O)cc(Cl)c1 NCGC00159417-05
Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 NCGC00164034-05
O(C(=O)N(CCCl)CCCl)c1ccc2c(c1)CCC1C3C(C)(CCC12)C(O)CC3 NCGC00164581-02
N1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 NCGC00015254-20
c1cc(OCCCCNC)c(Cc2ccccc2)cc1 NCGC00024778-02
O(C)c1cc2c(cc1OC)CCN1C2CC(CC2NCCc3c2cc(OC)c(OC)c3)C(CC)C1 NCGC00024379-16
N12C(OC)(C(COC(N)=O)C3=C1C(=O)C(C)=C(N)C3=O)C1C(N1)C2 NCGC00163468-05
c1(N(C)Cc2nc3c(nc2)nc(N)nc3N)ccc(C(NC(C(O)=O)CCC(O)=O)=O)cc1 NCGC00025060-15
C1N2CC(CC)=CC(C2)CC(c2c(OC)cc3c(c2)C24C5C(CC)(C=CCN5CC2)C(OC(C)=O)C(C(OC)=O)(O)C4N3C)(C(OC)=O)c2[nH]c3ccccc3c21.O=C(O)C(C(C(O)=O)O)O.OC(=O)C(O)C(O)C(=O)O NCGC00263568-01
C(C(=CCc1c(OC)c(C)c2c(c1O)C(=O)OC2)C)CC(O)=O NCGC00016786-15
c1c(OC)c2c(c(Cl)c1OC)OC1(C2=O)C(OC)=CC(=O)CC1C NCGC00091120-13
C1(CC(O)C2CC(C)CC(C)C2=O)CC(=O)NC(=O)C1 NCGC00169964-05
s1nc(N2CCN(CCc3c(Cl)cc4c(c3)CC(=O)N4)CC2)c2ccccc12 NCGC00263539-01
C(n1c2ccccc2[nH]c1=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 NCGC00015774-06
c1(OCC(O)CN2CCN(c3c(OC)cccc3)CC2)cccc2ccccc12 NCGC00015718-12
c1cc(C)nc2c(O)c(Br)cc(Br)c12 NCGC00160566-02
Clc1c(O)c(S(=O)c2cc(Cl)cc(Cl)c2O)cc(Cl)c1 NCGC00160554-02
c1ccc(C(=C(c2ccc(O)cc2)c2ccc(OCCN(C)C)cc2)CC)cc1 NCGC00258497-01
Fc1ccc(-c2c(-c3ccccc3)c(C(Nc3ccccc3)=O)c(C(C)C)n2CCC(CC(O)CC([O-])=O)O)cc1.c1c(-c2n(CCC(O)CC(O)CC([O-])=O)c(C(C)C)c(C(Nc3ccccc3)=O)c2-c2ccccc2)ccc(F)c1.[Ca+2] NCGC00159458-05
c1c(C2C(=O)c3ccccc3C2=O)ccc(Br)c1 NCGC00160590-03
O(C(C)=O)C1(C(=O)C)CCC2C3C(CCC21C)C1(C)CCC(=O)C=C1C(C)C3 NCGC00263480-01
C12=CCC3C(CCC4(C)C3CCC4C(C)=O)C1(C)CCC(O)C2 NCGC00163125-06
C(CC(C)(C)C)(c1ccc(O)c(-n2nc3c(n2)cccc3)c1)(C)C NCGC00164139-03
C1C(=O)OC(CCC2C3C(=CC(C)CC3OC(=O)C(CC)(C)C)C=CC2C)CC1O NCGC00017324-07
s1c(C(C)C)nc(CN(C)C(=O)NC(C(NC(CC(O)C(NC(OCc2scnc2)=O)Cc2ccccc2)Cc2ccccc2)=O)C(C)C)c1 NCGC00159462-04
s1c(-c2cc(C#N)c(OCC(C)C)cc2)nc(C)c1C(=O)O NCGC00182059-03
C1N(C(CN(Cc2ccccc2)c2ccccc2)COCC(C)C)CCC1 NCGC00015155-11
C(C=CC(C)=CC(=O)OCC)=C(C=Cc1c(C)c(C)c(OC)cc1C)C NCGC00167500-02
C(OC(C(C#N)=C(c1ccccc1)c1ccccc1)=O)C(CC)CCCC NCGC00091585-05
n12c(CC(N(CCC)CCC)=O)c(-c3ccc(Cl)cc3)nc1ccc(Cl)c2 NCGC00182850-02
c1cccc(C(c2ccccc2)=C(CN)CC)c1.Cl NCGC00262942-01
O(CCN1CCCCC1)C(c1ccc(Cl)cc1)c1ccccc1.Cl NCGC00178069-05
c1(-c2cc(=O)c3c(O)cc(O)c(C4CCN(C)CC4O)c3o2)ccccc1Cl.Cl NCGC00250401-02
c1cc(OC)cc(C(CCNC(C(c2ccccc2)O)C)=O)c1.Cl NCGC00182060-03
c1cc(C(F)(F)F)cc(CC(C)NCCOC(c2ccccc2)=O)c1.Cl NCGC00178369-05
N=C(Nc1ccc(Cl)cc1)NC(NCCCCCCNC(=N)NC(Nc1ccc(Cl)cc1)=N)=N NCGC00016246-09
c1cc(OCCC(N(C)C)c2ccccc2)c2c(cccc2)c1 NCGC00253658-01
O(CCN(C)C)C(c1cc2c(cc1)n(CCN(C)C)c(C)c2C)=O NCGC00164483-03
N(C)(C)CCOC(=O)c1ccc2n(Cc3ccccc3)c(C)c(C)c2c1 NCGC00160412-04
COc1c(OC)c(OC)cc(C2C3C(C(O)c4cc5c(cc42)OCO5)COC3=O)c1 NCGC00022001-13
C1N2C(CC3C(C(OC)=O)C(OC)C(OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3C2)c2c(c3c(cc(OC)cc3)[nH]2)C1 NCGC00091250-12
COC1OCCN(C2C(O)C(C)OC(OC3c4c(c(O)c5c(c4O)C(=O)c4c(cccc4OC)C5=O)CC(C(=O)CO)(O)C3)C2)C1 NCGC00319019-01
C1N(Cc2ccc(C(Nc3ccc(C)c(Nc4nc(-c5cnccc5)ccn4)c3)=O)cc2)CCN(C)C1.S(O)(=O)(C)=O NCGC00159456-11
O1c2ccccc2OC(C(N2CCN(c3nc4c(c(N)n3)cc(OC)c(OC)c4)CC2)=O)C1.OS(=O)(=O)C NCGC00018158-09
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F NCGC00094574-15
C1C(C(c2ccc(F)cc2)=O)CCN(CCc2c(C)nc3n(c2=O)CCS3)C1 NCGC00262950-01
o1c(CC)c(C(=O)c2cc(I)c(O)c(I)c2)c2c1cccc2 NCGC00160408-03
C(C(CC)Cc1c(I)c(N)c(I)cc1I)(O)=O NCGC00095082-06
c1cc(S(=O)(N)=O)ccc1-n1nc(C(F)(F)F)cc1-c1ccc(C)cc1 NCGC00091455-09
C1CC(C2CCN(C(c3ccc4c(c3)CN(C)C(=O)C(CC(O)=O)N4)=O)CC2)CCN1 NCGC00319023-02
c1c(C2CN(CCC(c3ccc4c(c3)OCCO4)=O)CC2)cccc1 NCGC00160665-02
C(CN(CCCC)C(=O)N1CCOCC1)N(C(=O)N1CCOCC1)CCCC NCGC00249916-01
c1ccc(C=NNC(=O)c2ccncc2)c(O)c1 NCGC00160648-02
N(C(=O)CCCCCCC(=O)Nc1ccccc1)O NCGC00168085-05
c1cc(N)c(NC(=O)c2ccc(N)cc2)cc1 NCGC00160373-02
c12c(cccc1)Sc1c(cccc1)N2CC(CN(C)C)C.C(N1c2ccccc2Sc2c1cccc2)C(CN(C)C)C.OC(=O)C(O)C(C(O)=O)O NCGC00178737-05
c1cc(O)c(-c2nn(-c3ccc(C(=O)O)cc3)c(-c3ccccc3O)n2)cc1 NCGC00263572-01
OC(CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(O)=O)CC(O)=O)=O NCGC00015360-08
O=C(Nc1[nH]c2c(cc(SCCC)cc2)n1)OC NCGC00016876-12
c1ccccc1COC(=O)NCC1CC2C(N(C)C1)Cc1c3c2cccc3n(C)c1 NCGC00017257-14
c12ccccc1c1c3n2C(=O)CC2(CC)CCCN(CC1)C32 NCGC00262533-02
C12C3C(C4(CCC(=O)O4)C1(C)CCC1C2C2CC2C2=CC(=O)CCC21C)C3 NCGC00164590-02
C1C(n2c3c(cccc3)[nH]c2=O)CCN(CC2(C)c3n(ccc3)-c3ccccc3CO2)C1 NCGC00159544-03
C1CC2OC1C1(C)C(=O)OC(=O)C21C NCGC00025212-08
C12C(C3C(CC)(CC1)C(C#C)(O)C=C3)CCC1=CC(=O)CCC21 NCGC00263565-01
OS(O)(=O)=O.O(CC=C)C(Cn1cncc1)c1c(Cl)cc(Cl)cc1 NCGC00163778-09
C(C)C1(O)CC2CN(CCc3c4ccccc4[nH]c3C(c3c(OC)cc4c(c3)C35CCN6C3C(CC)(C(OC(=O)C)C(C(OC)=O)(O)C5N4C)C=CC6)(C(OC)=O)C2)C1.OS(=O)(=O)O NCGC00263548-01
c1c(-c2ccc(F)cc2F)ccc(O)c1C(O)=O NCGC00016765-09
CCOC(C(c1c(=O)oc2ccccc2c1O)c1c(O)c2ccccc2oc1=O)=O NCGC00253742-01
Nc1ncnc2c1c(-c1[nH]c3c(cc(O)cc3)c1)nn2C(C)C NCGC00188346-02
c1(O)ccc(Cl)cc1Cc1ccccc1 NCGC00091532-06
c1(F)ccc(-c2c(COC)c(C(C)C)nc(C(C)C)c2C=CC(CC(O)CC([O-])=O)O)cc1.[Na+] NCGC00164625-04
Brc1c(O)c(Br)cc(Br)c1 NCGC00091183-04
c1cc(C(c2ccc(Br)cc2)OCCN(C)C)ccc1 NCGC00249891-01
CC1(C)C(C=C(C)C)C1C(=O)OCc1cc(Oc2ccccc2)ccc1 NCGC00094561-06
CC1C2=CC(=O)CCC2(C)C2C(C1)C1C(C)(C(C(=O)C)(O)CC1)CC2 NCGC00023064-05
C1C(N)C(O)C(C)OC1OC1CC(O)(C(C)=O)Cc2c1c(O)c1c(c2O)C(=O)c2c(c(OC)ccc2)C1=O NCGC00024246-15
c1cc(C(=C2CCCCC2)c2ccc(OC(=O)C)cc2)ccc1OC(C)=O NCGC00165767-04
O(CC(=O)C12N=C(C)OC1CC1C2(C)CC(O)C2C3(C)C=CC(=O)C=C3CCC12)C(=O)C NCGC00263521-01
c1ccc2c(cccc2CN(CC=CC#CC(C)(C)C)C)c1 NCGC00159346-04
CC(CCCC(N)C)C NCGC00166086-03
c1ccccc1-c1c(=O)c2ccc(OC(C)C)cc2oc1 NCGC00018139-07
n1(-c2ccccc2)c(=O)c(C(C)C)c(CN(C(C)Cc2ccccc2)C)n1C NCGC00179385-03
c1ccc(OCC(C)N(Cc2ccccc2)CCCl)cc1 NCGC00015121-17
O(C)CCOC(C1=C(C)NC(C)=C(C(OC(C)C)=O)C1c1cc([N+]([O-])=O)ccc1)=O NCGC00015714-16
c1ccc(C2C(C(OC)=O)=C(C)NC(C)=C2C(OCC(C)C)=O)c([N+]([O-])=O)c1 NCGC00164633-02
Clc1c(Cl)cccc1C1C(C(OC)=O)=C(C)NC(C)=C1C(OCC)=O NCGC00015455-10
C1(NC(NS(=O)(=O)c2ccc(CCNC(=O)N3CC(C)=C(CC)C3=O)cc2)=O)CCC(C)CC1 NCGC00016960-07
c1(C)cc(N(C(Oc2cc3ccccc3cc2)=S)C)ccc1 NCGC00016610-07
C1c2c(c3c(ccc(Cl)c3)n2CCc2ccc(C)nc2)CN(C)C1 NCGC00253726-01
c1(C)c(NS(=O)(c2ccc(N)cc2)=O)onc1C NCGC00016384-15
O=S(N)(c1c(F)cc(-c2c(C3CCCCC3)nc(C)o2)cc1)=O NCGC00249925-01
N(CC(O)COc1ccccc1C(CCc1ccccc1)=O)CCC NCGC00015819-15
c1cc(C(c2cc(OC)ccc2)N2C(C)CN(CC=C)C(C)C2)ccc1C(N(CC)CC)=O NCGC00024777-04
C1CCCN(C2CCN(C(=O)Oc3cc4c(CC)c5c(nc4cc3)-c3cc4c(c(=O)n3C5)COC(=O)C4(CC)O)CC2)C1.Cl NCGC00178697-04
c1cc(OCCCC)ccc1C(CCN1CCCCC1)=O.Cl NCGC00016498-08
N(C(=O)Nc1cc2c(nc(C)cc2N)cc1)c1cc2c(cc1)nc(C)cc2N.Cl.Cl NCGC00013130-04
c1(CC)n(CCOc2ccccc2)c(=O)n(CCCN2CCN(c3cccc(Cl)c3)CC2)n1.Cl NCGC00165846-04
COc1cc2c(cc1OC)CC(CC1CCN(Cc3ccccc3)CC1)C2=O.Cl NCGC00167537-02
c1(C)n2c(cn1)CN=C(c1ccccc1F)c1cc(Cl)ccc1-2.Cl NCGC00168254-02
c1(C)c(C(OCC)=O)c(NCCCC)c2c(n(CC)nc2)n1.Cl NCGC00015985-08
c1ncc2cccc(S(=O)(=O)N3CCNCCC3)c2c1.Cl NCGC00018100-08
c12c(cc(Cl)cc1)Nc1ccccc1S2 NCGC00253702-01
C(CCCCCC)[N+](CC)(CC)CCCCc1ccc(Cl)cc1.Cc1ccc(S([O-])(=O)=O)cc1 NCGC00168464-04
c1c2c(ccc1)Oc1c(cc(Cl)cc1)C(N1CCNCC1)=N2 NCGC00015004-13
c12ccc(Cl)cc1C1(c3c(Cl)cccc3)OCC(C)N1CC(=O)N2 NCGC00253606-01
c1ccc(Cl)c(OC(C2=NCCN2)C)c1Cl NCGC00271513-02
c1(Sc2ccc(COC(c3c(Cl)cc(Cl)cc3)Cn3ccnc3)cc2)ccccc1 NCGC00253713-01
C12=CC(=O)C=CC1(C)C1(Cl)C(O)CC3(C)C(OC(c4occc4)=O)(C(CCl)=O)C(C)CC3C1CC2 NCGC00179578-03
OC1(C#CC)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)CC21C NCGC00025179-12
C12N(CCC1)C(=O)C(Cc1ccccc1)N1C2(O)OC(NC(C2CC3C(N(C)C2)Cc2c4c(cccc43)[nH]c2)=O)(C)C1=O NCGC00017400-10
C1N(C)CCC(=C2c3ccsc3CCc3ccccc32)C1 NCGC00163169-05
C(N(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(Oc1ccc(OC)cc1)=O)C(O)=O NCGC00262954-01
Fc1cc2c(cc1)C(=Cc1ccc(S(=O)(=O)C)cc1)C(C)=C2CC(O)=O NCGC00015928-05
c1c(NC(N)=N)ccc(C(Oc2ccc3c(ccc(C(=N)N)c3)c2)=O)c1.S(O)(=O)(C)=O NCGC00160398-05
C(CC1=C(C)C(=Cc2ccc(SC)cc2)c2ccc(F)cc21)(O)=O NCGC00161601-02
c1(Nc2c(C(=O)O)cccc2)cccc(C(F)(F)F)c1 NCGC00016490-12
C(N)(CSSCC(N)C(O)=O)C(=O)O NCGC00166006-02
c1ccc(C(=O)OCC(CO)O)c(N)c1 NCGC00249900-01
c1(Nc2nccc(N(c3ccc4c(C)n(C)nc4c3)C)n2)ccc(C)c(S(=O)(=O)N)c1 NCGC00188865-03
Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O.O.O NCGC00015870-27
c1ccccc1COC1C(O)C(OCC)OC1C(COCc1ccccc1)OCc1ccccc1 NCGC00179274-03
N(C(=O)C)N=Cc1ccc([N+]([O-])=O)o1 NCGC00164501-02
O1COc2cc(CC(c3sccc3S(Nc3onc(C)c3Cl)(=O)=O)=O)c(C)cc21 NCGC00253587-01
O=C(OCC)CCCCCCCC=CCC=CCCCCC NCGC00181039-02
O=C(NC1C(=O)N(C)c2c(cccc2)C(c2ccccc2)=N1)c1cc2c([nH]1)cccc2 NCGC00159551-02
N(=CC=CC)NC(c1ccncc1)=O NCGC00160370-02
OC(C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)N)=O NCGC00094852-03
c1c(C#N)cc2c(c1)C(CCCN(C)C)(c1ccc(F)cc1)OC2.C(O)(C(=O)O)=O NCGC00178555-02
c1c(C(C)C(O)=O)ccc2c3cc(Cl)ccc3[nH]c12 NCGC00094937-04
c1(C(NCC2CN(Cc3ccc(F)cc3)CCO2)=O)cc(Cl)c(N)cc1OCC.OC(CC(C(O)=O)(O)CC(O)=O)=O NCGC00160527-03
n1oc(-c2c(F)cccc2)nc1-c1cccc(C(O)=O)c1 NCGC00168759-05
O=C(O)c1c(Nc2c(C)c(C)ccc2)cccc1 NCGC00016278-10
OC(Cc1cc2c(cc1)OCc1ccccc1C2=O)=O NCGC00253693-01
c1cccc(CN2CCc3c(C(OCC)=O)c(N)sc3C2)c1 NCGC00159451-06
C1(C(OCc2coc(Cc3ccccc3)c2)=O)C(C=C(C)C)C1(C)C NCGC00163786-06
C1CN(c2nc3c(cccc3)n2Cc2ccc(F)cc2)CCC1N(C)c1nccc(=O)[nH]1 NCGC00344565-01
c1(S(=O)(Nc2nc(=O)n(CC)cc2)=O)ccc(N)cc1 NCGC00253598-01
c1ccc(C(c2ccccc2)C(=O)C2C(=O)c3c(cccc3)C2=O)cc1 NCGC00160553-03
C1Cc2c(cccc2)C2CN(C(=O)C3CCCCC3)CC(=O)N2C1 NCGC00249902-01
C1C(=O)N2C(CN1C(=O)C1CCCCC1)c1ccccc1CC2 NCGC00015818-14
C1(C2OCCC2)=C(C(=O)O)N2C(S1)C(C(C)O)C2=O NCGC00164546-02
C1(=O)C=C2C(=C3C(CC2)C2C(C)(C(CC=C)(O)CC2)C=C3)CC1 NCGC00166309-02
CC12C(C3CCC4=CC(=O)CCC4(C)C3CC1)CCC2(O)C NCGC00091009-07
CC1C2C34OOC(C)(CC2)OC3OC(=O)C(C)C4CC1 NCGC00161634-06
c1cc(OCCc2ccc(OS(=O)(C)=O)cc2)ccc1CC(C(=O)O)OCC NCGC00182082-03
C1(C(=O)O)C(C)(C)S(=O)(=O)C2CC(=O)N12 NCGC00159336-03
ClC(Cl)(C(O)P(OC)(OC)=O)Cl NCGC00018237-09
c1cc(C(O)(C(=O)OCC)c2ccc(Cl)cc2)ccc1Cl NCGC00259302-01
c1cc2c(O)c(Cc3c(=O)oc4ccccc4c3O)c(=O)oc2cc1 NCGC00016296-07
c1c(C(CN(C)C)C2(O)CCCCC2)ccc(OC)c1 NCGC00095109-08
c1c(C)c(Cl)c(C)cc1O NCGC00094614-06
c1(C(C(c2ccc(O)cc2)CC)CC)ccc(O)cc1 NCGC00094818-09
C(OCc1ccccc1)(c1ccc(O)cc1)=O NCGC00164155-02
C(NCC(O)c1ccc(O)c(O)c1)(C)C NCGC00015558-14
c1(C(=O)c2cc(O)c(O)c(O)c2)c(O)c(O)c(O)cc1 NCGC00249050-02
C12CCC3(C)C(CCC3OC(CCC3CCCC3)=O)C1CCc1c2ccc(O)c1 NCGC00166134-02
C1C2(C)C(CCC2C(=O)CO)C2C(C3(C)C(=CC(=O)CC3)CC2)C1 NCGC00021304-05
C(F)(c1c2c(ccc1)c(Nc1c(C(OCC(CO)O)=O)cccc1)ccn2)(F)F NCGC00249912-01
C(C(C)O)(O)=O.C(CCCCCCCCCNCCO)CCCC NCGC00164503-02
C(CCCCCCCCCC)CSCCOCCO NCGC00159387-03
O=S(=O)(C)O.C(=O)(NCCCCCN(C(=O)C)O)CCC(N(CCCCCNC(CCC(N(CCCCCN)O)=O)=O)O)=O NCGC00178802-06
C12(C)C3C(CCC1CC(OC(C)=O)C(N1CCCCC1)C2)C1CC([N+]2(C)CCCCC2)C(OC(C)=O)C1(C)CC3.[Br-] NCGC00167467-03
C1C[N+](CCOC(=O)C(O)(c2ccccc2)c2ccccc2)(CC)CCC1.[Br-] NCGC00167509-02
C(CC([O-])=O)C(C)=O.C(C(=O)[O-])CC(=O)C.[Ca+2].O.O NCGC00249052-02
O=C(NC1C2N(C1=O)C(C([O-])=O)=C(COC(C)=O)CS2)CSc1ccncc1.[Na+] NCGC00162116-04
[Na+].O=C([O-])Cc1c(Nc2c(Cl)cccc2Cl)cccc1 NCGC00021125-03
n1(C)c(SCC2=C(C([O-])=O)N3C(C(OC)(NC(CSCC#N)=O)C3=O)SC2)nnn1.[Na+] NCGC00023016-07
o1nc(-c2c(Cl)cccc2Cl)c(C(=O)NC2C(=O)N3C(C(=O)[O-])C(C)(C)SC23)c1C.O.[Na+] NCGC00178782-04
O=C([O-])C1C(C)(Cn2nncc2)S(=O)(=O)C2CC(=O)N21.[Na+] NCGC00159340-05
c1(F)c(Nc2c(Cl)cc(Br)cc2)c(C(NOCCO)=O)cc2c1ncn2C NCGC00189073-02
C(CNc1nc(-c2ccccc2)cs1)c1ccccc1 NCGC00160438-02
c1c2cc3c(c(OCC=C(C)C)c2oc(=O)c1)occ3 NCGC00095209-06
C(C(O)=O)(C)N NCGC00024494-02
C1(=O)C=C2C(CC1)C1C(C(C)C2)C2C(C)(CC1)C(C)(O)CC2 NCGC00253603-01
CC(c1ccc(CC(C)CN2CC(C)OC(C)C2)cc1)(CC)C NCGC00167524-02
C(C1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)=C(C)C NCGC00168352-02
n1c(-c2ccccc2)c(-c2ccccc2)[nH]c1 NCGC00063561-03
CC(=O)C1(O)C2(C)C(CC1)C1CCC3=CC(=O)CCC3(C)C1CC2 NCGC00093949-05
C1=C2C(C)=CC3C4CC(=C)C(C(=O)C)(OC(C)=O)C4(C)CCC3C2(C)CCC1=O NCGC00166298-02
C1CC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC2(C)C1(C(C)=O)OC(C)=O NCGC00024196-05
C(CCCN1CCN(c2ccccc2OC)CC1)NC(c1ccc(-c2ccc(C(C)=O)cc2)cc1)=O NCGC00025004-04
C(C)OC(=O)Oc1c(OC(OCC)=O)cc(CCNC(C(CCSC)NC(=O)C)=O)cc1 NCGC00249931-01
O=C(O)C(NC(C)=O)CS NCGC00015086-04
O=C(NCc1ccccc1)C(NC(C)=O)COC NCGC00253740-01
c1(C)cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 NCGC00091761-07
c1(Oc2c(OCCO)nc(-c3ncccn3)nc2NS(c2ccc(C(C)(C)C)cc2)(=O)=O)c(OC)cccc1 NCGC00167440-02
c1(C(OC(C)(C)C)=O)c2n(cn1)-c1cccc(Br)c1C(=O)N1CCCC12 NCGC00160640-03
C1(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC(C)C(NC(=O)c2c3c(oc4c(C)c(=O)c(N)c(C(=O)NC5C(=O)NC(C(C)C)C(=O)N6CCCC6C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC5C)c-4n3)c(C)cc2)C(=O)NC(C(C)C)C(=O)N2C1CCC2 NCGC00271789-02
c1c(C)c2cc(C(C)C)ccc(C)c-2c1 NCGC00095836-05
C(CC(CCCCC(C)CCCC(C)CCCC(C)C)C)CC(CCCC(C)C)C NCGC00165976-02
c1cccc2c3n(CC(C)C)cnc3c(N)nc12 NCGC00070736-03
c1c(OCC(CNC(C)C)O)ccc(NC(C)=O)c1 NCGC00024810-07
C1=CSC(=C(C(=O)OC(C)C)C(OC(C)C)=O)S1 NCGC00164588-02
O(C(=O)C)CC=C(C)C=CC=C(C=CC1=C(C)CCCC1(C)C)C NCGC00090756-12
C1(C(=O)O)=C(C)CSC2C(NC(C(c3ccccc3)N)=O)C(=O)N12 NCGC00159522-05
o1nc(C2CCN(CCc3c(=O)n4c(nc3C)CCCC4)CC2)c2ccc(F)cc12 NCGC00015883-11
C1CCCC(C)(COc2ccc(CC3C(=O)NC(=O)S3)cc2)C1 NCGC00025104-09
n1n(-c2c(O)ccc(C)c2)nc2ccccc12 NCGC00166243-03
c1cc(C)cc(N(C)C(=S)Oc2ccc3c(c2)C2CC3CC2)c1 NCGC00249934-01
c1c(N(c2cc(O)ccc2)CC2=NCCN2)ccc(C)c1 NCGC00016311-19
c1cc(OCC(O)COCC)ccc1NC(=O)CC[S+](C)C.c1cc(S([O-])(=O)=O)ccc1C NCGC00181000-02
n1c(SCC(O)=O)nc(Nc2cccc(C)c2C)cc1Cl NCGC00014702-15
n1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)o1 NCGC00015610-17
C1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1OC(=O)CC NCGC00179602-03
c1ncc(C2(CC)Cc3c(cccc3)C2)[nH]1 NCGC00182707-03
c1(CC)c(-c2ccc(Cl)cc2)c(N)nc(N)n1 NCGC00016256-17
C(c1ccccc1)c1ccc(OCCN(CC)CC)cc1 NCGC00024762-04
CCOC(=O)C(CC(OCC)=O)SP(=S)(OC)OC NCGC00091902-11
c1c2c(c(C)c(Cl)c(=O)o2)ccc1OP(OCC)(OCC)=S NCGC00094516-08
c1c(C=NN2CC(CN3CCOCC3)OC2=O)oc([N+]([O-])=O)c1.Cl NCGC00179424-04
CNNCc1ccc(C(NC(C)C)=O)cc1.Cl NCGC00016438-04
N1C(C)CN(c2c(F)c(C)c3c(n(C4CC4)cc(C(O)=O)c3=O)c2)CC1.Cl NCGC00167527-03
Cc1c(Cc2nc[nH]c2)cccc1C.Cl NCGC00182057-03
c1cccc(C(CCNC)Oc2c(C)cccc2)c1.Cl NCGC00025345-02
CC1(C)OCC(COC(=O)CCc2ccc(OCC(CNCCNC(=O)N3CCOCC3)O)cc2)O1.Cl NCGC00182709-03
C(CC)COc1c(N)ccc(C(=O)OCCN(CC)CC)c1.Cl NCGC00016667-04
c1cc2c(c(Cc3cc(OCC)c(OCC)cc3)n1)cc(OCC)c(OCC)c2.Cl NCGC00016557-06
C1N(Cc2ccc3c(c2)OCO3)CCN(C(=O)COc2ccc(Cl)cc2)C1.Cl NCGC00016825-06
c1cc(OCC(OCCN(C)C)=O)ccc1Cl.Cl NCGC00015279-08
N1(CCCn2c(=O)n3c(n2)cccc3)CCN(c2cc(Cl)ccc2)CC1.Cl NCGC00016035-13
c1c(CC)cccc1N(C)C(Nc1cccc2ccccc21)=N.Cl NCGC00015236-04
C(CN(C)C)COc1nn(Cc2ccccc2)c2c1cccc2.Cl NCGC00016397-04
O=C(OCC)OC(C)OC(C1C(C)(C)SC2N1C(=O)C2NC(=O)C(N)c1ccccc1)=O.Cl NCGC00179582-03
C(Sc1n(CCN(C)C)nnn1)C1=C(C(O)=O)N2C(SC1)C(NC(=O)Cc1nc(N)sc1)C2=O.Cl NCGC00179594-03
O=C(O)CCC(CN)=O.Cl NCGC00178086-03
n1c(NN)c2ccccc2cn1.Cl NCGC00015501-09
c12ccccc1c(C(=O)C1CCc3[nH]cnc3C1)cn2C.Cl NCGC00167437-02
c1(C(c2ccccc2)(C2CCN(CCCC(c3ccc(C(C(=O)O)(C)C)cc3)O)CC2)O)ccccc1.Cl NCGC00015453-08
C(c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O)(O)=O.Cl NCGC00016959-06
C1C(C(O)=O)N(C(C(C)NC(C(OCC)=O)CCc2ccccc2)=O)Cc2ccccc21.Cl NCGC00167962-06
c1cc(C2(c3ccccc3)C(=O)N(CC)CC2CCN2CCOCC2)ccc1.Cl NCGC00167459-02
C(NCCOc1ccccc1OCC)(C)Cc1cc(S(=O)(N)=O)c(OC)cc1.Cl NCGC00167442-03
c1c(CCN)c(O)cc(O)c1O.Cl NCGC00167769-04
c1c(CC(C(OCC)=O)(N)C)cc(O)c(O)c1.Cl NCGC00185744-02
N(C)CC(O)c1ccc(O)c(O)c1.Cl NCGC00015417-04
N1c2ccc(Cl)c(Cl)c2Cn2cc(O)nc21.Cl NCGC00247665-04
[Pt](Cl)(N)(Cl)N NCGC00263537-01
C(C(=O)N(c1ccc(OC(=O)c2occc2)cc1)C)(Cl)Cl NCGC00016637-10
O=C(c1cc(Cl)ccc1NC(CBr)=O)c1c(F)cccc1 NCGC00253724-01
COP(Oc1cc(Cl)c(Cl)cc1Cl)(OC)=S NCGC00163886-05
c1cc2c(cc1)N(C(CCN1CC3CCCN3CC1)=O)c1c(ccc(Cl)c1)S2 NCGC00164539-02
c1(=O)[nH]c2c(ccc(Cl)c2)n1C1CCNCC1 NCGC00253719-01
C(COC(Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)=O)=C(CCC=C(CCC=C(C)C)C)C NCGC00253581-01
c1c(CC(NC(=O)c2ccc(Cl)cc2)C(O)=O)c2c(cccc2)[nH]c1=O NCGC00095161-05
c1(Cl)c(N)nc(N)c(C(NC(N)=N)=O)n1 NCGC00015089-17
FC(Oc1cc(Cl)c(NC(NC(c2c(F)cccc2F)=O)=O)cc1Cl)(F)C(C(F)(F)F)F NCGC00095978-06
C(OC(=O)N1CCC(Nc2ccc(Cl)cc2N)CC1)C NCGC00262934-01
c1ccc(F)c(Nc2c(CC(O)=O)cc(C)cc2)c1Cl NCGC00181795-02
C(=O)(CC)OC1(C(=O)CCl)C(C)CC2C1(C)CC(O)C1(F)C3(C)C=CC(=O)C=C3CCC21 NCGC00023373-03
FC12C(C3CC4OC(C)(C)OC4(C(CCl)=O)C3(C)CC1O)CCC1=CC(=O)CCC21C NCGC00179475-03
C1CCCN1CCCl NCGC00253732-01
CN(CC(CC1c2ccccc2CCc2ccccc21)C)C NCGC00274277-01
O(C(NC)=O)c1c2ccccc2ccc1 NCGC00090680-06
OC(C1CC2CCN1CC2C=C)c1ccnc2ccc(OC)cc12 NCGC00274071-01
O(CCOC(C=Cc1ccc(OC)cc1)=O)CC NCGC00249899-01
O(c1ccc(C(c2c3c(n(CCN4CCOCC4)c2C)cccc3)=O)cc1)C NCGC00160396-04
OC1C(O)C(COC2OC(C)C(O)C(O)C2O)OC(Oc2cc(O)c3c(=O)cc(-c4ccc(OC)c(O)c4)oc3c2)C1O NCGC00344564-01
c1(OC)cc2sc(NC(=O)Nc3ccccc3)nc2cc1 NCGC00160657-03
c1(-c2nc3ccccn3c2)ccc(S(C)(=O)=O)cc1 NCGC00261979-01
S(C)(=O)(=O)O.c1(CCNC)ccccn1 NCGC00093362-05
c12c(nc(N3CC(=NOC)C(CN)C3)c(F)c1)n(C1CC1)cc(C(O)=O)c2=O.S(=O)(O)(C)=O NCGC00178711-03
O=C(O)c1cccnc1Nc1cc(C(F)(F)F)ccc1 NCGC00015724-17
c1cccc2c1C(=O)OC2OC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 NCGC00167754-02
C(N)CON=C(c1ccc(C(F)(F)F)cc1)CCCCOC NCGC00018193-11
O=c1[nH]c(=O)c(F)cn1C1OC(C)C(O)C1O NCGC00093926-05
Fc1ccc(C(O)CCC2C(c3ccc(O)cc3)N(c3ccc(F)cc3)C2=O)cc1 NCGC00263575-01
C1CC(C(=O)c2ccc(F)cc2)CCN1CCc1c(=O)n2c(cccc2)nc1C NCGC00015784-14
c1cc2c([nH]c(=O)n2C2CCN(CCCC(c3ccc(F)cc3)=O)CC2)cc1 NCGC00016602-04
c1(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)ccc(Cl)cc1 NCGC00015500-19
C(CCCN1CCN(c2ncccc2)CC1)(c1ccc(F)cc1)=O NCGC00016590-06
N(S(c1ccc(F)cc1)(=O)=O)C1CCc2c(c3ccccc3n2CCC(O)=O)C1 NCGC00167519-02
C123C(O1)C(O)=C(C#N)CC2(C)C1C(C2C(C)(CC1)C(O)CC2)CC3 NCGC00274061-01
c1c(-c2ccncc2)cc(N)c(=O)[nH]1 NCGC00016896-06
c1c(NS(=O)(=O)c2ccc(N)cc2)nc2ccccc2n1 NCGC00178376-05
c1cc(N)ccc1O NCGC00090816-05
C1CCC2Cc3c(cnc(N)n3)CC2N1CCC NCGC00162319-05
c1cccc(Nc2nc(N)ncn2)c1 NCGC00160496-02
C(CNCCNCCNCCN)N NCGC00090964-04
c12ccccc1C(O)(c1ccc(Cl)c(S(N)(=O)=O)c1)NC2=O NCGC00094616-07
N1S(=O)(=O)c2c(cc(Cl)c(S(=O)(N)=O)c2)N=C1 NCGC00015242-13
O=S(N)(c1c(Cl)cc2c(c1)S(=O)(=O)N(C)C(CSCC(F)(F)F)N2)=O NCGC00182076-03
C1(C(Cl)Cl)Nc2c(cc(S(N)(=O)=O)c(Cl)c2)S(=O)(=O)N1 NCGC00018302-07
C1(O)C(CO)(O)OCC(O)C1O NCGC00248704-02
c1(C)c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3C(O)C(O)C(O)C(CO)O3)c(O)c(O)c1C2=O NCGC00247988-03
OC1C(O)C(CO)OC(=O)C1O NCGC00344522-01
C(C=Cc1cc(O)c(O)cc1)(OC1C(O)C(O)CC(C(O)=O)(OC(=O)C=Cc2ccc(O)c(O)c2)C1)=O NCGC00274085-01
C12C(CCC3(C)C(O)CCC13)C1(C)C(=CC2)CC(O)CC1 NCGC00263558-01
[As](=O)(O)(O)c1ccc(O)c([N+](=O)[O-])c1 NCGC00016372-07
N(NC(C(N)=O)=O)=Cc1oc([N+](=O)[O-])cc1 NCGC00164502-02
c1c([N+](=O)[O-])ccc([As](=O)(O)O)c1 NCGC00181154-03
C(C(=O)OCC)=CC=CC=CC=CC=CCCCCCCCCC NCGC00249928-01
CC(Oc1ccccc1C(=O)Oc1ccc(NC(C)=O)cc1)=O NCGC00167468-02
c12cc(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)[nH]c1ccc(NS(C)(=O)=O)c2 NCGC00168776-03
Clc1ccc(C(c2ccc(OC(C(=O)OC(C)C)(C)C)cc2)=O)cc1 NCGC00015437-17
c1(C(c2ccccc2)=O)ccc(C(C)C(=O)O)s1 NCGC00179573-03
C(N1CCC(C2CCNCC2)CC1)(c1cc2c(cc1)NC(CC(O)=O)C(=O)N(C)C2)=O NCGC00319023-01
c1c(F)ccc(C2(O)C(C(c3ccc(F)cc3)=O)CN(C)CC2)c1 NCGC00160663-03
c1c(O)ccc(C(=O)CC)c1 NCGC00018097-06
c12c(cccc1)N(C(=O)CN1CCN(Cc3cc4c(cc3)OCO4)CC1)c1ccccc1S2 NCGC00160678-03
O=C(O)c1c(I)cc(I)c(NC(=O)CCCCC(Nc2c(I)cc(I)c(C(=O)O)c2I)=O)c1I NCGC00016523-05
c1ccc(NC(CS)=O)cc1 NCGC00160366-02
c1(Cl)cc(C(NCCc2ccc(S(=O)(NC(NC3CCCCC3)=O)=O)cc2)=O)c(OC)cc1 NCGC00015467-20
c1(C(c2ncccc2)OCCN(C)C)ccc(Cl)cc1.C(O)(=O)C=CC(O)=O NCGC00166141-06
Cc1c(C(N2CCC(N3CCN(C(COC)c4ccc(C(F)(F)F)cc4)C(C)C3)(C)CC2)=O)c(C)ncn1.C(=O)(C=CC(O)=O)O NCGC00182549-02
c1(OC)nc(OC(C(=O)O)C(c2ccccc2)(c2ccccc2)OC)nc(OC)c1 NCGC00253632-01
N12C(C(NC(Cc3cccs3)=O)C1=O)SCC(COC(=O)C)=C2C(=O)O NCGC00023699-09
C(=O)(OC(C)C)OCOP(=O)(OCOC(OC(C)C)=O)COC(C)Cn1cnc2c1ncnc2N.OC(=O)C=CC(O)=O NCGC00183876-03
c1cccc2c1c(=O)cc(C(=O)O)o2 NCGC00094989-04
OC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C NCGC00160452-02
S1C(CCCCC(O)=O)CCS1 NCGC00016032-11
c1(OC(c2ccc(C)cc2)=O)c(OC(c2ccc(C)cc2)=O)ccc(C(O)CNC(C)(C)C)c1 NCGC00253593-01
O=C(c1cc(=O)c2c(OCC(COc3cccc4oc(C(=O)OCC)cc(=O)c34)OC(=O)C(N)CCCCN)cccc2o1)OCC NCGC00262961-01
O=C(c1ccc(NCCCC)cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC NCGC00016362-05
C1C(=O)C2Oc3c4c(ccc3O)CC3C(O)(C1)C42CCN3CC1CC1 NCGC00024427-05
C(#C)C1(O)CCC2C3C(C)CC4=C(C3CCC12C)CCC(=O)C4 NCGC00164632-02
O=c1n(C(NCCCCCC)=O)cc(F)c(=O)[nH]1 NCGC00095165-07
c12ccccc1C(=O)NS2(=O)=O NCGC00094918-07
CC12C(CCC1=O)C1CC=C3C(C)(C1CC2)CCC(O)C3 NCGC00093802-06
C12C(C)(CCC3C1CCC1=CC(=O)CCC13)C(O)CC2 NCGC00159416-04
C1C2C3CCC(=O)C=C3CCC2C2C(C)(C1)C(C#C)(O)CC2 NCGC00179669-04
C#CC1(O)CCC2C3C(C4C(=CC(=O)CC4)CC3)CCC12CC NCGC00159349-05
C1C(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)CC12CCCC2 NCGC00015162-10
C12CCC3=CC(=O)CCC3C1CCC1(C)C2CCC1OC(CCc1ccccc1)=O NCGC00274069-01
OP(O)(O)=O.C(CCC(Nc1c2ncccc2cc(OC)c1)C)N.OP(O)(O)=O NCGC00178754-06
c1c(Cl)cc2c(c(NC(C)CCCN(CC)CC)ccn2)c1.OP(=O)(O)O.OP(O)(=O)O NCGC00015256-12
c1(S(O)(=O)=O)c2cccnc2c(O)c(I)c1 NCGC00160410-02
CC(C(OCOC(=O)C1C(C)(C)S(=O)(=O)C2CC(=O)N21)=O)(C)C NCGC00249610-02
C(C(CO)NC(C)=O)(NC(CC(=O)O)C(NC(CCCCN)C(N1C(C(O)=O)CCC1)=O)=O)=O NCGC00261976-01
c1c(C(=O)O)nc(O)nc1O NCGC00188943-03
OC(c1ccccc1S)=O NCGC00018107-05
O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 NCGC00014711-14
C(CN(C)C(C(O)c1ccccc1)C)=Cc1ccccc1 NCGC00249896-01
c1(C(O)C(C)NC(C)CCc2ccccc2)ccc(O)cc1 NCGC00015716-09
c1(C=O)c(CO)cnc(C)c1O NCGC00142580-05
c1(=O)oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23 NCGC00017245-10
c1(O)cc(C)c(O)c(C)c1C NCGC00262952-01
c1(O)c(O)c(O)cc(C(=O)O)c1 NCGC00091125-07
Oc1cc(OC)cc(O)c1 NCGC00166043-02
c1(O)c(O)ccc(C=C(C#N)C#N)c1 NCGC00016043-08
c1cc(C(OC)=O)ccc1O NCGC00159376-04
c1(O)ccc(C2CNCCc3c(Cl)c(O)c(O)cc32)cc1 NCGC00015444-07
c1c(O)c(O)ccc1C(O)C(C(O)=O)N NCGC00344531-01
C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O NCGC00017331-08
C(NCC(O)c1ccc(O)c(O)c1)CCCCCNCC(O)c1ccc(O)c(O)c1.S(=O)(O)(=O)O NCGC00167522-02
c1cc(C=CC)cc(OC)c1O NCGC00091470-05
O(c1c(O)ccc(CC=C)c1)C NCGC00091449-10
CCCCCCCCC(NCc1cc(OC)c(O)cc1)=O NCGC00016089-06
O(c1ccc(O)cc1)C NCGC00091390-04
C(CCCCCNCCc1ccccc1)NCCc1cc(O)c(O)cc1 NCGC00184998-02
O=C1CCCc2c1cccc2O NCGC00262913-01
c1c[nH]c2c1c(O)ccc2 NCGC00253639-01
OCC(C1(O)C(C)CC2C1(C)CC(O)C1(F)C3(C)C=CC(=O)C=C3CCC12)=O NCGC00091019-08
CC12C=CC(=O)C=C1CCC1C2(F)C(O)CC2(C)C1CC1C2(C(CO)=O)OC(C)(C)O1 NCGC00023193-06
C1CC2=CC(=O)C=CC2(C)C2(F)C(O)CC3(C)C(CC(C)C3C(CO)=O)C12 NCGC00023648-04
FC(c1cc2c(cc1)Sc1ccccc1N2C(=O)CCN1CCN(CCO)CC1)(F)F NCGC00160479-02
C(S(=O)(=O)O)CO.c1c(OCCCCCOc2ccc(C(=N)N)cc2)ccc(C(=N)N)c1.OS(=O)(=O)CCO NCGC00179034-07
OCC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5C6CC7OC8(C(C)C7C6(C)CCC45)CCC(C)CN8)C3)OC2CO)C(OC2C(O)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)CO2)C1O NCGC00095843-01
C12(C)C(C(CN)(C)CCC1)CCc1cc(C(C)C)ccc12.CC(O)=O NCGC00255644-01
C(N(CCCC)CCCOc1ccc(C(=O)c2c3c(ccc(NS(C)(=O)=O)c3)oc2CCCC)cc1)CCC NCGC00188863-02
c1ccccc1C1(c2ccccc2)CCN(CCCOC(C2=C(C)NC(C)=C(C(=O)OC)C2c2cccc([N+]([O-])=O)c2)=O)CC1.Cl NCGC00163135-01
COc1cc2c(cc1OC)CCn1c(=O)n(C)c(=Nc3c(C)cc(C)cc3C)cc1-2.Cl NCGC00094424-01
c1(CCCNC(C)c2cccc3c2cccc3)cccc(C(F)(F)F)c1.Cl NCGC00181002-01
c1(C(F)(F)F)c(Cl)ccc(C2(O)CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 NCGC00165865-01
C1(C(C2CCCCC2)CC2CCCCN2)CCCCC1.O=C(C=CC(O)=O)O NCGC00095025-01
Oc1c(Br)cc(Br)c2cccnc12 NCGC00094815-05
c1(O)ccc(C)c2c1nccc2 NCGC00164506-02
c1c2c(c(O)ccc2Cl)ncc1 NCGC00095303-04
c1ccccc1C[N+](C)(C)CCCCCCCCCCCC.[Cl-] NCGC00255209-01
c1(C2C(C(=O)OC3CN(C(c4ccccc4)c4ccccc4)C3)=C(N)NC(C)=C2C(=O)OC(C)C)cccc([N+]([O-])=O)c1 NCGC00167436-01
c1ccc(C(c2c(O)ccc(C(c3ccccc3)(C)C)c2)(C)C)cc1 NCGC00260005-01
C(CCN(CC)CC)N(c1ccccc1)C1Cc2c(cccc2)C1.Cl NCGC00167576-01
c1(OC)c(OC)c(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1OC.Cl.Cl NCGC00164543-02
Cl.NC(=O)C1=C(O)C(N(C)C)C2C(O)(C1=O)C(O)=C1C(=O)c3c(c(Cl)ccc3O)C(O)C1C2 NCGC00162149-07
FC(c1c2nc(C(F)(F)F)cc(C(C3NCCCC3)O)c2ccc1)(F)F.Cl NCGC00161831-02
C1(C(N(C)C)=O)(N2CCCCC2)CCN(CCC2(c3cc(Cl)c(Cl)cc3)OCCN(C(=O)c3ccccc3)C2)CC1.Cl NCGC00254013-01
C1C(N2CCN(C)CC2)c2cc(SC)ccc2Sc2c1cccc2 NCGC00024665-10
c1cccc(C(NC)=O)c1Sc1cc2c(cc1)c(C=Cc1ncccc1)n[nH]2 NCGC00241108-04
C1(OC2C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C(CO)O2)CC2=CCC3C(CCC4(C)C5C(N6CC(C)CCC6C5C)CC34)C2(C)CC1 NCGC00091441-01
B(O)(C(NC(=O)C(NC(c1cnccn1)=O)Cc1ccccc1)CC(C)C)O NCGC00242506-02
c1(O)c(OC)cc(C=C2C(=O)C(=Cc3cc(OC)c(O)cc3)CCC2)cc1 NCGC00164486-04
C(CCCCCC)CCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[Br-] NCGC00258363-01
C(c1[n+](CC)c2ccccc2s1)=CC=C1N(CC)c2c(cccc2)S1.[I-] NCGC00166288-01
C(C(NC(CCc1ccccc1)C(NC(CC(C)C)C(NC(Cc1ccccc1)C(NC(CC(C)C)C(C1(C)OC1)=O)=O)=O)=O)=O)N1CCOCC1 NCGC00249613-02
O=C1C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(CC)NC(=O)C(C(C(CC=CC)C)O)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N1C NCGC00093704-12
c1(F)cc(F)ccc1C1(Cn2ncnc2)CC(COc2ccc(N3CCN(c4ccc(-n5cnn(C(C(C)O)CC)c5=O)cc4)CC3)cc2)CO1 NCGC00274060-01
C(C1CC1)(C=CC(C)C1CCC2C(=CC=C3CC(O)CC(O)C3=C)CCCC12C)O NCGC00167465-02
O=C(c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1c(cccc1)S2)C NCGC00016642-04
c1c([Hg]OC(=O)C)cccc1 NCGC00091050-09
C1(O)=C(CC2CCC(C(C)(C)C)CC2)C(=O)c2ccccc2C1=O NCGC00253624-01
CCOC(=O)C1=C(C)NC(C)=C(C(OCC)=O)C1c1c(C=CC(OC(C)(C)C)=O)cccc1 NCGC00263529-01
c1(C=C2C(=O)Nc3ccccc32)c(C)cc(C)[nH]1 NCGC00094381-06
n1(Cc2ccc(Cl)cc2)c2ccccc2nc1CN1CCCC1.Cl NCGC00015243-10
C(c1cc(-c2sc(Cl)cc2)on1)n1c(C(NC2CCN(C(C)C)CC2)=O)cc2cc(C(=O)OC(C)OC(=O)OCC)ccc21.Cl NCGC00254071-01
c12c(cccc1)C(CCCNC)c1ccccc1C=C2.Cl NCGC00015851-10
c12c(cccc1)N(CCCNC)c1c(cccc1)CC2.Cl NCGC00015340-14
c1cccc(C(c2ccc(Cl)cc2)N2CCN(C)CCC2)c1 NCGC00018271-07
O=S(=O)(C)O.N1(C)CCN(CCCN2c3ccccc3Sc3ccc(S(N(C)C)(=O)=O)cc32)CC1.O=S(O)(=O)C NCGC00179625-03
C(C(NC(C(O)CN1CC2CCCCC2CC1C(NC(C)(C)C)=O)Cc1ccccc1)=O)(CC(=O)N)NC(=O)c1nc2ccccc2cc1.OS(C)(=O)=O NCGC00260082-01
C(Oc1c(C(=CSC)n2ccnc2)cccc1)CCCC NCGC00249929-01
c1c(C(N2CCN(CC=Cc3ccccc3)CC2)c2ccc(F)cc2)ccc(F)c1 NCGC00018102-12
C(CNCc1oc(-c2cc3c(Nc4cc(Cl)c(OCc5cccc(F)c5)cc4)ncnc3cc2)cc1)S(=O)(=O)C NCGC00167507-04
o1c(C=CC(C=Cc2oc([N+](=O)[O-])cc2)=NNC(N)=N)ccc1[N+](=O)[O-] NCGC00181330-02
C(CCCCC(O[Sn](OC(CCCCCCCCCCC)=O)(CCCC)CCCC)=O)CCCCCC NCGC00166115-02
C(CCCCCCCC[N+](C)(C)CCCCCCCCCCCC)CCC.[Br-] NCGC00256632-01
[Br-].[N+](C)(C)(CC)CCCCCCCCCCCCCCCC NCGC00256767-01
C(CC[N+](C)(C)C)CCCCCCCCCCCCCCC.[Cl-] NCGC00257992-01
C(C)(CC(C)(C)C)(c1c(C)cc(OCCOCC[N+](Cc2ccccc2)(C)C)cc1)C.[Cl-] NCGC00255508-01
c12cc3c(cc1-c1cc4ccc(OC)c(OC)c4c[n+]1CC2)OCO3.[Cl-] NCGC00016526-07
C(=CC=C1N(CC)c2ccccc2S1)c1sc2ccccc2[n+]1CC.[I-] NCGC00166288-02
O=C1C(I)=CC(=C(c2cc(I)c([O-])c(I)c2)c2c(C(=O)[O-])cccc2)C=C1I.[Na+].[Na+] NCGC00161636-02
[Hg](Sc1ccccc1C(=O)[O-])CC.[Na+] NCGC00178879-04
C(C)(C)=CCOc1cc(OCC(=O)O)c(C(C=Cc2ccc(OCC=C(C)C)cc2)=O)cc1 NCGC00159481-03
CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C.FC(S(=O)([O-])=O)(F)F NCGC00258135-01
[N+](c1cc(C2C(C(OCC=Cc3ccccc3)=O)=C(C)NC(C)=C2C(OCCOC)=O)ccc1)([O-])=O NCGC00162150-04
C1(Nc2ncc3c(c(Nc4cc(Cl)c(F)cc4)ncn3)n2)CCN(C)CC1.Cl.Cl NCGC00161422-04
Cl.c1nc2cc(Cl)ccc2c(Nc2ccccc2C(=O)OCC(CO)O)c1 NCGC00094881-07
Clc1c(Cl)nc(N)c(C(OC)=O)n1 NCGC00253704-01
n1c2c(ccc1)CCc1cc(Cl)ccc1C2=C1CCNCC1 NCGC00159325-05
c1(Cl)ccc(NC(NC(NCCCCCCNC(NC(=N)Nc2ccc(Cl)cc2)=N)=N)=N)cc1 NCGC00258955-01
N(C(=N)Nc1ccc(Cl)cc1)C(=N)NCCCCCCNC(NC(=N)Nc1ccc(Cl)cc1)=N NCGC00257242-01
c1ccc2c(c1)N(CCCN(C)C)c1cc(Cl)ccc1CC2 NCGC00015264-13
C(CCCCCCCCO)CC1=C(C)C(=O)C(OC)=C(OC)C1=O NCGC00160514-02
c1cc(C2Sc3ccccc3NC(=O)C2O)ccc1OC NCGC00253672-01
c12c(n(-c3c(F)cc(F)cc3)cc(C(O)=O)c1=O)nc(N1CC3C(C3N)C1)c(F)c2.S(=O)(O)(=O)C NCGC00263538-01
C(C[P+](CCCCCC)(CCCCCCCCCCCCCC)CCCCCC)CCCC.F[P-](F)(F)(F)(F)F NCGC00258304-01
c12ccc(Cl)cc1C(C(F)(F)F)(C#CC1CC1)OC(=O)N2 NCGC00159337-04
N1(CCCOc2cc3c(ncnc3Nc3cc(Cl)c(F)cc3)cc2OC)CCOCC1 NCGC00159455-09
c12c(ccn3c1n[nH]c3=O)nc(-c1ccc(C3(N)CCC3)cc1)c(-c1ccccc1)c2 NCGC00186465-04
O=C1c2ccccc2C2=Nc3ccc(N)cc3CN21 NCGC00253752-01
c1c(C(=O)Nc2sc([N+]([O-])=O)cn2)c(OC(C)=O)ccc1 NCGC00090774-05
CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccccc1)c1ccccc1.C(CC(O)(CC(O)=O)C(O)=O)(=O)O NCGC00254000-01
OC(CNCCOc1c(OC)cccc1)COc1cccc2[nH]c3c(c21)cccc3.C(C(C(O)C(O)=O)O)(=O)O NCGC00167832-06
c1cc(OC(c2ccccc2)=O)c2ncccc2c1 NCGC00159478-04
O=S(O)(O)=O.O(C(=O)C1(O)C2C3(C4C(CC)(C=CCN4CC3)C1OC(C)=O)c1cc(C3(C(=O)OC)c4[nH]c5ccccc5c4CCN4CC(CC(O)(CC)C4)C3)c(OC)cc1N2C)C NCGC00344583-01
O=c1nc2n(CC(C(O)C(CO)O)O)c3cc(C)c(C)cc3nc-2c(=O)[nH]1 NCGC00091288-05
c1cc(O)c(Sc2cc(Cl)ccc2O)cc1Cl NCGC00013679-06
C(CCCCCCCCCCCC)C[P+](CCCC)(CCCC)CCCC.[Cl-] NCGC00259558-01
CCCC[P+](CCCCCCCCCCCCCC)(CCCC)CCCC.[Cl-] NCGC00257372-01
C(CCC)CC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC.[Cl-] NCGC00258251-01
CN(c1cc2c(nc3ccc(N(C)C)cc3[s+]2)cc1)C.[Cl-] NCGC00167496-03
C1(OC(CCC([O-])=O)=O)CCC2(C)C(C1(C)C)CCC1(C)C3(C)C(=CC(=O)C12)C1CC(C)(C(=O)[O-])CCC1(C)CC3.[Na+].[Na+] NCGC00179431-03
C(N)(C(C1CN(CCc2cc3c(cc2)OCC3)CC1)(c1ccccc1)c1ccccc1)=O.Br NCGC00263922-02
c1ccc(N2N(c3ccccc3)C(=O)C(CC=C(C)C)C2=O)cc1 NCGC00164582-02
C1(NC(=O)C)CCc2c(c(OC)c(OC)c(OC)c2)-c2c1cc(=O)c(OC)cc2 NCGC00025125-18
C1(C)(C)OC2CC3C4C(F)(C5(C)C=CC(=O)C=C5C(F)C4)C(O)CC3(C)C2(C(=O)COC(=O)C)O1 NCGC00022398-05
C(C)(C)(c1cc(NC(Nc2c3ccccc3c(OCCN3CCOCC3)cc2)=O)n(-c2ccc(C)cc2)n1)C NCGC00241104-02
O=C(NC(c1ccccc1)C(O)C(OC1C(C)=C2C(C)(C)C(O)(C1)C(OC(=O)c1ccccc1)C1C(C)(C(=O)C2O)C(O)CC2OCC21OC(C)=O)=O)OC(C)(C)C NCGC00181306-04
c1(C)cccc(C)c1OCC(NC(Cc1ccccc1)C(O)CC(Cc1ccccc1)NC(=O)C(C(C)C)N1C(=O)NCCC1)=O NCGC00164576-04
n1c(C)cc(OC)n1-c1nc(C)cc(OC)n1 NCGC00016737-04
c1cc(C(=O)O)c(Nc2cccc(Cl)c2C)cc1 NCGC00016705-10
C(CCCCN)CCCC=CCCCCCCCC NCGC00164329-03
c1(Cl)ccc(NC(NC(=N)NCCCCCCNC(NC(Nc2ccc(Cl)cc2)=N)=N)=N)cc1.Cl.Cl NCGC00256637-01
C(CCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)N(C)C.Cl NCGC00016012-12
O=C1N(CCCCN2CCN(c3c4ccccc4sn3)CC2)C(=O)C2CCCCC12.Cl NCGC00164567-02
Clc1c(C(C(CC)=C)=O)ccc(OCC(=O)O)c1Cl NCGC00016260-13
c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1Cl NCGC00015251-13
ClCCN(CCCl)CCCl NCGC00178521-03
Clc1ccc(C2(O)CCN(CCC(c3ccccc3)(C(N(C)C)=O)c3ccccc3)CC2)cc1 NCGC00015608-11
C12C3(O)C(=CC=CC(C)C(OC4OC(C)C(OC5CC(OC)C(O)C(C)O5)C(OC)C4)C(C)=CCC4CC(CC5(OC(C(C)CC)C(C)CC5)O4)OC1=O)COC3C(O)C(C)=C2 NCGC00163233-01
c1(F)ccc(-n2c3nc(N4CC5C(C5(C)NC(C(C)NC(=O)C(C)N)=O)C4)c(F)cc3c(=O)c(C(O)=O)c2)c(F)c1.OS(=O)(C)=O NCGC00261969-01
c1cc(C(CCNC)Oc2ccc(C(F)(F)F)cc2)ccc1 NCGC00015428-15
CC1C(c2ccc(NN=C(C#N)C#N)cc2)=NNC(=O)C1 NCGC00263564-01
c1(OP(OCCCl)(=O)OCCCl)ccc2c(oc(=O)c(Cl)c2C)c1 NCGC00160546-02
Fc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)nc32)c(F)c1.OS(=O)(c1ccc(C)cc1)=O NCGC00167536-03
c1ccc2c(I)cc(I)c(O)c2n1 NCGC00018098-07
c1cc(C=O)c(O)c(O)c1O NCGC00262933-01
c1cc(O)ccc1C1(c2ccc(O)cc2)c2ccccc2C(=O)O1 NCGC00018200-12
c1(-c2ccccc2)[n+](CC)c2cc(N)ccc2c2ccc(N)cc12.[Br-] NCGC00091387-08
C(CC)CCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-] NCGC00258581-01
C(CCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC)C.[Br-] NCGC00258130-01
c1(Cl)c(C)ccc(Cl)c1Nc1c(C(=O)[O-])cccc1.O.[Na+] NCGC00023217-08
O=[N+](c1oc(C=NN2C(=O)OCC2)cc1)[O-] NCGC00095304-05
Brc1cc2c(cc1)NC(=O)OC2(C)C NCGC00253655-01
OCC1C(O)C(O)C(n2cnc3c(NCC=C(C)C)ncnc23)O1 NCGC00253650-01
c1cc2c(cc1)OCC(C1=NCCN1)O2 NCGC00015560-12
C1CN(CC=Cc2ccccc2)CCN1C(c1ccccc1)c1ccccc1 NCGC00018187-09
CC(OC1C(O)C2C(C)(C)CCC(O)C2(C)C2(O)C1(C)OC(C)(C=C)CC2=O)=O NCGC00177971-03
C1(O)C2C3(C)C=CC(=O)C=C3CCC2C2C(C)(C(C(=O)COC(=O)CC(C)(C)C)(O)CC2)C1 NCGC00249886-01
c1(C)c2c(c(C)c(C)c1O)OC(C)(COc1ccc(CC3C(=O)NC(=O)S3)cc1)CC2 NCGC00161599-09
c1cc(NC(c2c(C)cccc2)=O)ccc1C(N1c2c(cccc2)C(N(C)C)CCC1)=O NCGC00262931-01
c1(C(=O)NS(=O)(c2c(C)cccc2)=O)ccc(Cc2cn(C)c3ccc(NC(=O)OC4CCCC4)cc23)c(OC)c1 NCGC00164547-06
n1c(N)nc(C)c(-c2cc(Cl)c(Cl)cc2)c1N NCGC00253626-01
CCC(CN1CC(N)(C)CN(CC(CCCC)CC)C1)CCCC NCGC00094819-07
n1nn[nH]c1-c1ccccc1-c1ccc(CN2C(=O)C3(CCCC3)N=C2CCCC)cc1 NCGC00095122-05
CCCCCCCCCC(=O)OC1C2(C)C(C3C(CC2)C2C(=CC(=O)CC2)CC3)CC1 NCGC00263561-01
C(=O)(N)c1c(OCC)cccc1 NCGC00091616-03
c1c(Cl)cc(Cl)c2c1c1c(c(C(CCN(CCCC)CCCC)O)c2)ccc(C(F)(F)F)c1.Cl NCGC00179250-03
c1ccc(C(C(OCCN(CC)CC)=O)(CCC)c2ccccc2)cc1.Cl NCGC00015799-06
c1(C(N2CCN(Cc3cccc(C)c3)CC2)c2ccc(Cl)cc2)ccccc1.Cl.Cl NCGC00018296-07
C(Nc1cc(OC)c(OC)c(OC)c1)c1c(C)c2c(nc(N)nc2N)cc1.Cl.Cl.Cl NCGC00161419-05
c1cc2c(Cc3ccc(Cl)cc3)nn(C3CCN(C)CCC3)c(=O)c2cc1.Cl NCGC00177979-05
C12Cc3c(N(C)C)ccc(O)c3C(=O)C1=C(O)C1(O)C(C(N(C)C)C(O)=C(C(=O)N)C1=O)C2.Cl NCGC00178854-03
c1ccc2c(c1)C(=CCCN(C)C)c1c(cccc1)CC2.Cl NCGC00015095-15
c1ccc2c(c1)C(=CCCN(C)C)c1c(cccc1)C=C2.Cl NCGC00013841-09
c1cc2c(cc1)N(CCCN(C)C)c1ccccc1S2.Cl NCGC00015829-12
c1cc2c(cccc2CN(CC=Cc2ccccc2)C)cc1.Cl NCGC00179332-03
c12c(O)cccc1C(=C)C1C(O)C3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O.Cl NCGC00179358-04
O(CCNCC(c1ccccc1)O)c1ccc(CC(O)=O)cc1.Cl NCGC00092315-02
O=C(O)CCC(=O)OC(CN(C)C)COc1ccccc1CCc1cc(OC)ccc1.Cl NCGC00167489-03
O1CCN(CCC(=O)N2c3c(cccc3)Sc3ccc(NC(=O)OCC)cc32)CC1.Cl NCGC00016809-07
c1cc([Bi](Cl)(Cl)(c2ccccc2)c2ccccc2)ccc1 NCGC00255815-01
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc12 NCGC00263540-01
c1c(C2CCC(C3=C(O)C(=O)c4ccccc4C3=O)CC2)ccc(Cl)c1 NCGC00016961-06
COc1cc2c(CC(=O)O)c(C)n(C(c3ccc(Cl)cc3)=O)c2cc1 NCGC00015562-25
c1ccc2c(c1)nc(C)n2Cc1ccc(Cl)cc1 NCGC00160416-02
c1c(Cl)ccc2n(C3CCN(CCCn4c(=O)[nH]c5c4cccc5)CC3)c(=O)[nH]c12 NCGC00014670-17
c1cccc2c1N(CC(C)N(C)C)c1c(cccc1)S2 NCGC00015817-14
O=c1[nH]c2ccc(OCCCC(=O)N(C)C3CCCCC3)cc2cc1 NCGC00015269-06
N(C)(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2c1cccc2 NCGC00159511-04
c1cc(CN2CCC(n3cc(C4=C(c5cn(C)c6c5cccc6)C(=O)NC4=O)c4c3cccc4)CC2)ncc1 NCGC00238452-03
c1(C=CC(=O)c2c(OC)cc(OC)cc2)ccc(OC)cc1 NCGC00160442-03
n12c(=O)c(CCN3CCC(=C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c(C)nc1scc2 NCGC00015877-11
O=C(c1ccc(F)cc1)CCCN1CCC(O)(c2ccc(Br)cc2)CC1 NCGC00016692-05
N1C(=O)C2(CCN(CCCOc3ccc(F)cc3)CC2)N(c2ccccc2)C1 NCGC00024633-07
C1(c2ccc(NN=C(C#N)C#N)cc2)=NNC(=O)CC1C NCGC00253641-01
S1C(c2ccccc2Cl)CSC1=C(C#N)n1ccnc1 NCGC00164544-02
n1(C2OC(CO)C(OP(OC(CNC(=O)CCC3(C)C4=NC(C3CC(=O)N)C3(C)C(CC(N)=O)(C)C(CCC(N)=O)C(=C(C)C5=NC(=CC6=NC(=C4C)C(CCC(=O)N)C6(C)C)C(CCC(=O)N)C5(CC(=O)N)C)N3[Co+]C#N)C)(=O)[O-])C2O)cnc2c1cc(C)c(C)c2 NCGC00249888-01
C1(O)C(CO)OC(n2c(=O)nc(N)nc2)C1O NCGC00090851-10
Nc1cnccc1N NCGC00167560-02
N(C(C)=C(CCO)SSCCC)(C=O)Cc1cnc(C)nc1N NCGC00167447-02
c12c(c(=S)[nH]c(N)n1)[nH]cn2 NCGC00263442-01
n1c(S(N)(=O)=O)sc2cc(OCC)ccc12 NCGC00018249-05
c1([N+](=O)[O-])ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 NCGC00166218-02
C1CCC(NC(N(N=O)CCCl)=O)CC1 NCGC00167466-02
c1cc(C(c2ccccc2)OC2CCCN(CCc3ccc4c(c3)OCO4)C2)ccc1.C(=CC(O)=O)C(O)=O NCGC00247932-02
CC(c1cc2c(cc1)Sc1ccccc1N2CCCN(C)C)=O.C(C(=O)O)=CC(=O)O NCGC00016634-04
OC(=O)C=CC(=O)O.c1(OCCCNc2nc3c(cccc3)s2)cc(CN2CCCCC2)ccc1.OC(C=CC(=O)O)=O NCGC00015957-06
O=C(O)C(Cc1ccc(N(CCCl)CCCl)cc1)N NCGC00090757-06
c1nc2[nH]c(N)nc(=O)c2nc1CNc1ccc(C(NC(C(=O)O)CCC(O)=O)=O)cc1 NCGC00016265-08
C(C)(C(O)=O)c1cc2c(cc1)Sc1ccccc1C(=O)C2 NCGC00263585-01
c1(C(=O)O)ccc2c(ccc(-c3cc(C45CC6CC(C4)CC(C5)C6)c(OC)cc3)c2)c1 NCGC00164617-04
n1(C)c2ccccc2nc1-c1cc(C)c2nc(CCC)n(Cc3ccc(-c4ccccc4C(O)=O)cc3)c2c1 NCGC00095150-08
C1CN2CCCC23C=C(OC)C(OC(=O)C(CCCC(C)(C)O)(CC(=O)OC)O)C3c2cc3c(cc21)OCO3 NCGC00185752-01
C1CC1C(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1 NCGC00262953-01
O(C(Nc1nc2c(ccc(C(c3ccccc3)=O)c2)[nH]1)=O)C NCGC00016806-13
c1(NC(=O)OC)[nH]c2c(cc(OCCC)cc2)n1 NCGC00018238-09
C(C)OC(OC1(C(OCCl)=O)CCC2C3C(C4(C)C=CC(=O)C=C4CC3)C(O)CC21C)=O NCGC00164594-02
C12=C3C(C4CCC(C#C)(O)C4(CC)C=C3)CCC1=CC(=O)CC2 NCGC00167457-02
S(Nc1ccc(OC)nn1)(=O)(c1ccc(N)cc1)=O NCGC00016324-09
O=C(O)c1c(-c2ccc(C(F)(F)F)cc2)cccc1 NCGC00166227-02
c1cc(C(O)CN2CCC(Cc3ccc(F)cc3)CC2)ccc1Cl NCGC00092329-06
C(c1ccc(O)cc1)(=CC)C(c1ccc(O)cc1)=CC NCGC00018153-10
Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3NC2=O)cc1 NCGC00262932-01
c12c(O)c3c(O)cccc3cc1cc(C)cc2O NCGC00181774-02
C1CN(CCOC(CCC(=CCc2c(O)c3c(c(C)c2OC)COC3=O)C)=O)CCO1 NCGC00159459-04
c12ccc(O)cc1CCC1C2CCC2(C)C(O)(C#C)CCC21 NCGC00091533-10
O1c2cc(O)cc(O)c2C(=O)C(O)C1c1ccc2c(c1)OC(c1cc(OC)c(O)cc1)C(CO)O2 NCGC00091057-05
C12C(C)(C3(C(CO)=O)OC(C)(C)OC3C1)CC(O)C1C3(C)C=CC(=O)C=C3CCC21 NCGC00274065-01
C(O)Cc1ccccc1 NCGC00166215-05
c1(OCCCC)ccc(CC(=O)NO)cc1 NCGC00016611-10
[nH]1c(=S)c2c([nH]cn2)nc1 NCGC00094717-06
OC1C(n2cnc3c(S)ncnc23)OC(CO)C1O NCGC00096122-05
C1C(OC(C(O)(c2ccccc2)c2ccccc2)=O)CC2CCC1[N+]2(C)CCF.[Br-].[Br-] NCGC00182548-02
C1C(C(C(OCC[N+](CC)(CC)C)=O)(c2ccccc2)O)CCCC1.[Br-] NCGC00018256-06
Clc1c(C[N+](CC)(CCNC(=O)C(NCC[N+](CC)(Cc2c(Cl)cccc2)CC)=O)CC)cccc1.[Cl-].[Cl-] NCGC00024567-03
CC[N+](CC)(CC)CC.[Cl-] NCGC00016008-04
[s+]1c2c(nc3cc(C)c(N)cc13)ccc(N(C)C)c2.[Cl-] NCGC00181775-02
O=c1c(-c2[n-]nnn2)cnc2n1cccc2C.[K+] NCGC00167434-02
[Na+].O=S([O-])(=O)c1cc(C2(c3ccc(O)c(S(=O)(=O)[O-])c3)c3c(c(Br)c(Br)c(Br)c3Br)C(=O)O2)ccc1O.[Na+] NCGC00159391-03
C(#N)[Fe-2](C#N)(N=O)(C#N)(C#N)C#N.O.O.[Na+].[Na+] NCGC00166055-03
c1cc(Br)ccc1C(c1cccc(CC(=O)[O-])c1N)=O.c1(C(c2c(N)c(CC(=O)[O-])ccc2)=O)ccc(Br)cc1.[Na+].O.[Na+].O.O NCGC00263519-01
C12OCC(CSc3n(C)nnn3)=C(C(=O)[O-])N1C(=O)C2(NC(C(C(=O)[O-])c1ccc(O)cc1)=O)OC.[Na+].[Na+] NCGC00178851-03
O=C1N(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC(=O)[N-]1.[Na+] NCGC00024622-05
C12OC(C)(C)OC1(C(=O)[O-])OC1C2OC(C)(C)OC1.[Na+] NCGC00344572-01
c1cccc2c(-c3ccc(F)cc3)c(C=CC(CC(CC([O-])=O)O)O)n(C(C)C)c12.[Na+] NCGC00263525-01
C(CCN(CCCCC)C(=O)C(NC(=O)c1ccc(Cl)c(Cl)c1)CCC([O-])=O)CC.[Na+] NCGC00162232-06
c1cc2c(C(=O)NC3C(=O)N4C(C([O-])=O)C(C)(C)SC34)c(OCC)ccc2cc1.[Na+].O NCGC00273482-01
[O-][N+](=O)c1cccc(C2C(C(OC)=O)=C(C)NC(C)=C2C(=O)OCCc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)c1 NCGC00253607-01
c1(NS(C)(=O)=O)c(Oc2ccccc2)cc([N+](=O)[O-])cc1 NCGC00015725-15
Br.Oc1cc(O)cc(C(CNC(C)Cc2ccc(O)cc2)O)c1 NCGC00015430-06
c1c(Br)ccc(-c2ccc(C3Cc4c(cccc4)C(c4c(O)c5ccccc5sc4=O)C3)cc2)c1 NCGC00262959-01
BrCc1c(F)cc(Br)cc1 NCGC00253679-01
N(c1cc(C#C)ccc1)c1c2cc(OCCOC)c(OCCOC)cc2ncn1 NCGC00164574-06
c1(N2CC(C)NC(C)C2)c(F)c(F)c2c(=O)c(C(O)=O)cn(C3CC3)c2c1F NCGC00160518-03
C1CC=C2C(C3C(CC2)C2CCC(O)(CC)C2(C)CC3)C1 NCGC00167514-02
CC12CCC3C(CC(C)C4=CC(=O)CCC34C)C1CCC2(O)C#CC NCGC00274271-01
C(O)(c1ccccc1)(c1ncccc1)CCCN1C(C)CCCC1C NCGC00249926-01
c1(C(CO)C(=O)OC2CC3[N+](C)(C)C(CC3)C2)ccccc1.[O-][N+]([O-])=O NCGC00015080-08
C(=C(C)C)CCC(C)=CCO NCGC00013095-10
c1cc2c(c3c1OC(C(C)=C)C3)OC1COc3c(cc(OC)c(OC)c3)C1C2=O NCGC00017358-15
C(c1cc2c(cc1)OCO2)N1CCN(c2ncccn2)CC1 NCGC00015857-09
c1cc2c(cc1)CCc1ccccc1N2 NCGC00253630-01
c12ccccc1sc1ccccc21 NCGC00094646-04
N12CN3CN(CN(C1)C3)C2 NCGC00094719-08
C(C(O)=O)C1C(C(=C)C)CNC1C(O)=O NCGC00024504-09
CC(C1CCC2C3C(C4(C)C(=CC(=O)CC4)C=C3)CCC21C)=O NCGC00179445-03
C(CCOc1c(CCC)c(O)c(C(C)=O)cc1)Cc1[nH]nnn1 NCGC00018122-11
C1C2C(C3CCC(OC(C)=O)C=C3C1)CCC1(C)C(C#C)(OC(=O)C)CCC12 NCGC00166138-04
O=c1n(C2OC(COC(=O)C)C(OC(=O)C)C2OC(C)=O)ncc(=O)[nH]1 NCGC00022391-05
O(c1ccc(C(c2ccc(OC(=O)C)cc2)c2ccccn2)cc1)C(C)=O NCGC00016522-10
O=C(C)Oc1ccc(C2(c3ccc(OC(=O)C)cc3)C(=O)Nc3ccccc32)cc1 NCGC00159420-04
O(c1ccc2c(c1)CCC1C3C(C)(C(O)CC3)CCC21)C(=O)C NCGC00249885-01
O=C(C)OC1CC2C(C)(C1(O)C(=O)COC(=O)C)CC(O)C1(F)C3(C)C(=CC(=O)C=C3)CCC21 NCGC00159320-04
CC(C)Cc1ccc(C(C)C(O)=O)cc1 NCGC00015529-15
C(=O)(O)C(c1cccc(C(=O)c2ccccc2)c1)C NCGC00015578-12
Oc1c(C(C)(C)C)cc(C)c(CC2=NCCN2)c1C NCGC00015766-13
C1CC2C(C3CCC(C(=O)NC(C)(C)C)C13C)CCC1C2(C)C=CC(=O)N1 NCGC00093560-05
O(CC(CNC(C)(C)C)O)c1cccc2c1CC(O)C(O)C2 NCGC00021623-05
C1(C(NC(Cc2ccccc2)C(=O)O)=O)CCC(C(C)C)CC1 NCGC00178741-03
C(C)(c1c(O)c(C(C)C)ccc1)C NCGC00015389-14
c1ccc(C2C(C(=O)OCC)=C(C)NC(C)=C2C(OC)=O)cc1[N+]([O-])=O NCGC00015713-13
C(C)C1(C)CC(=O)NC1=O NCGC00015418-09
O(CC)C1C(C)C2C34C(CCC(C)(OO3)OC4O1)C(C)CC2 NCGC00253770-01
C(N)(c1c(C)c([N+]([O-])=O)cc([N+](=O)[O-])c1)=O NCGC00094985-05
C1(C(Nc2cc(C)on2)=O)=C(O)c2c(cccc2)S(=O)(=O)N1C NCGC00016829-09
FC(F)(c1onc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)n1)F NCGC00253627-01
C1(NC(=O)NS(=O)(c2ccc(C)cc2)=O)CCCCCCC1 NCGC00164497-02
c1(O)cc(C)ccc1Cl NCGC00166212-02
c1c([N+]([O-])=O)n(CC(CCl)O)c(C)n1 NCGC00018275-05
c1(O)c(C(NCc2ccc(F)cc2)=O)nc(C(NC(c2oc(C)nn2)=O)(C)C)n(C)c1=O NCGC00274066-01
O=C(Nc1sc(C)cn1)C1=C(O)c2ccccc2S(=O)(=O)N1C NCGC00263878-02
O=C(c1ccc(CC2SC(=O)NC2=O)cc1)CCc1c(C)oc(-c2ccccc2)n1 NCGC00253763-01
C1(=O)C=C2C(C)(C3C(O)CC4(C)C(C(CC)=O)(OC(CCC)=O)CCC4C3CC2)CC1 NCGC00262960-01
C(CC)(=O)OC1C(N(C)C)CC(C)OC1OC1C(C)C(OC2CC(OC)(C)C(O)C(C)O2)C(C)C(=O)OC(CC)C(O)(C)C(O)C(C)C(=O)C(C)CC1(O)C NCGC00179619-06
CCC1(c2ccccc2)C(=O)NCNC1=O NCGC00015834-19
C(C(OCC)=O)(C(=O)OCC)(CCC)CCC NCGC00253675-01
C(CCCCCC(CCCCCCCCCC)CO)CC NCGC00166213-02
NCCCCCCCCCCCCCCCC NCGC00166024-02
C1Cc2c(ccc(OCCC)c2)C2CCC3(C)C(OC)CCC3C12 NCGC00253710-01
COC(=O)Nc1nc2c([nH]1)ccc(S(CCC)=O)c2 NCGC00253760-01
C12CCC(C(=O)COC(=O)CN(CC)CC)(O)C1(C)CC(O)C1C2CCC2=CC(=O)CCC21C NCGC00249883-01
c1cc2nc(OCCCC)cc(C(NCCN(CC)CC)=O)c2cc1 NCGC00016338-10
CCOC(=O)c1c(NN=C(C)C)c2c(nc1)n(CC)nc2.Cl NCGC00015403-05
C1(N)C(O)C(C)OC(OC2CC(O)(C(=O)C)Cc3c(O)c4c(c(O)c32)C(=O)c2c(cccc2)C4=O)C1.Cl NCGC00093976-08
N1CCN=C1Cc1c(C)cc(C(C)(C)C)cc1C.Cl NCGC00016101-10
CC(C)(COC(c1ccccc1)=O)NCCC.Cl NCGC00016551-04
C1C(OC(C(O)c2ccccc2)=O)CC(C)(C)N(C)C1C.Cl NCGC00179372-03
O=C(OC1CCCN(CC)C1)C(c1ccccc1)c1ccccc1.Cl NCGC00178395-04
OC1C(NC)C2C(OC3C(O)(C(=O)CC(C)O3)O2)C(O)C1NC.Cl.Cl NCGC00017354-07
Cc1c(O)c(CO)c(CSSCc2c(CO)c(O)c(C)nc2)cn1.Cl.Cl NCGC00166140-02
c1(Cl)ccc(CC(C)(N)C)cc1.Cl NCGC00160422-02
n1ccccc1N(Cc1ccc(Cl)cc1)CCN(C)C.Cl NCGC00016672-04
c1c(NC(=N)NC(NC(C)C)=N)ccc(Cl)c1.Cl NCGC00016528-05
c1cc(CNC(Cc2ccccc2)C)c(Cl)cc1.Cl NCGC00160424-02
ClCCN(CCCl)C.Cl NCGC00091835-10
c1(CN(C2CCCCC2)C)c(N)c(Br)cc(Br)c1.Cl NCGC00178520-03
N1(C)CCN(c2cc3n(-c4ccc(F)cc4)cc(C(O)=O)c(=O)c3cc2F)CC1.Cl NCGC00166308-02
c1ccccc1C(c1ccccc1)OC1CCN(C)CC1.Cl NCGC00016395-06
c12cc(C3=NNC(=O)CC3C)ccc1[nH]c(-c1ccc(OC)cc1)n2.Cl NCGC00274063-01
COc1cc(C(O)CNC(=O)CN)c(OC)cc1.Cl NCGC00178238-05
c1c2c(cc(OC)c(OC)c2)c(Cc2cc(OC)c(OC)cc2)nc1.Cl NCGC00015810-12
c1c2c(cc(OC)c1OC)CCN=C2C(C(=O)N(CCc1c(OC)c(OC)c(OC)cc1)CCc1c(OC)c(OC)c(OC)cc1)c1ccccc1.Cl NCGC00161399-03
c1ccc(C(F)(F)F)cc1C1=CCN(CCc2ccc3c(c2)cccc3)CC1.Cl NCGC00167574-03
c1c2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3)c2cc(N2CCNCC2)c1F.Cl NCGC00177995-02
OC1C(F)(F)C(n2c(=O)nc(N)cc2)OC1CO.Cl NCGC00168784-03
NNc1ccccc1.Cl NCGC00159378-04
C1(C(N2CCN(c3nc(N)c4c(n3)cc(OC)c(OC)c4)CC2)=O)CCCO1.Cl NCGC00016026-10
c12[nH]cc(CC(NC(=O)C(Cc3nc[nH]c3)NC(C3NC(=O)CC3)=O)C(NC(C(=O)NC(Cc3ccc(O)cc3)C(NCC(=O)NC(CC(C)C)C(=O)NC(C(N3C(C(=O)NCC(=O)N)CCC3)=O)CCCNC(N)=N)=O)CO)=O)c1cccc2.Cl NCGC00263576-01
C1CCC(C(=O)NCCCN(C)c2nc(N)c3c(cc(OC)c(OC)c3)n2)O1.Cl NCGC00095152-09
C12CC(C=C1)CC2C(O)(CCN1CCCCC1)c1ccccc1.Cl NCGC00182965-05
C1(OC2OC(C)C(O)C(N)C2)c2c(O)c3c(c(O)c2CC(C(=O)CO)(O)C1)C(=O)c1c(c(OC)ccc1)C3=O.Cl NCGC00263918-03
c1cc(CC(C)(OC(=O)C(C)N)C)ccc1Cl NCGC00015012-09
O=C(OCC(O)=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 NCGC00016868-12
c1c(Cl)ccc(C(=O)NCCN2CCOCC2)c1 NCGC00027930-07
c1cc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)ccc1Cl NCGC00091071-08
C(N1CCN(C(c2ccc(Cl)cc2)c2ccccc2)CC1)COCCO NCGC00021152-06
c1c(Nc2c3ccccc3c(Cc3ccncc3)nn2)ccc(Cl)c1 NCGC00181350-03
O=C1N(C)c2ccc(Cl)cc2C(c2ccccc2)=NC1 NCGC00178168-04
C1N=C(c2ccccc2Cl)c2cc(CCC(=O)N3CCOCC3)sc2-n2c1nnc2C NCGC00092377-04
C1C(CBr)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl NCGC00166203-02
c1ccc(Cl)c(Nc2ccccc2CC(=O)OCC(O)=O)c1Cl NCGC00016957-05
ClC(Cl)C(c1ccc(Cl)cc1)c1ccccc1Cl NCGC00015226-12
c1(-c2nc(-c3ccncc3)no2)c(Cl)cccc1 NCGC00014684-04
CCCC(=O)OC1(C(CCl)=O)C(C)CC2C1(C)CC(=O)C1(F)C3(C)C(=CC(=O)C=C3)CCC12 NCGC00022019-03
O=C(N(CC(N(C)C)=O)c1ccccc1)C NCGC00249935-01
C1C(Cc2ccccc2)(OCCCN(C)C)CCCCC1 NCGC00249914-01
C(C(OCCN(C)C)=O)(c1ccccc1)(c1ccccc1)OCC NCGC00253751-01
c1cccc2c1C=C(OCCN(C)C)c1c(ccc(Cl)c1)S2 NCGC00182081-04
c1c(OCCN(C)c2ccccn2)ccc(CC2C(=O)NC(=O)S2)c1 NCGC00095124-08
C1CN(C)CCC1=C1c2c(cccc2)C=Cc2c1cccc2 NCGC00015252-12
C(COCC)n1c(N2CCCN(C)CC2)nc2ccccc12.OC(=O)C=CC(=O)O.C(=CC(O)=O)C(=O)O NCGC00181341-02
c1c(F)cc2c(c1)Cc1ccccc1C(N1CCN(C)CC1)=N2 NCGC00160388-04
c12sc(C)cc1C(N1CCN(C)CC1)=Nc1ccccc1N2 NCGC00096077-06
c12c(cc3c(c1)OCO3)CCN(C)C2C1c2ccc(OC)c(OC)c2C(=O)O1 NCGC00017326-05
O=C(OC1CC2CCC(N2C)C1)c1cc(Cl)cc(Cl)c1 NCGC00016058-07
c1(OCC2CCN(C)CC2)c(OC)cc2c(Nc3ccc(Br)cc3F)ncnc2c1 NCGC00167513-04
n1(C)nc2c(c1NC)CCCC2 NCGC00160400-02
C(NC)CCC12c3c(cccc3)C(CC1)c1ccccc12 NCGC00015708-15
ClC(C(=O)OC)C(=O)OC NCGC00249607-02
c12c(ccc(=O)o1)cc1c(occ1)c2OC NCGC00016418-15
C1CN(CCCOC(c2cc(OC)c(OC)c(OC)c2)=O)CCN(CCCOC(c2cc(OC)c(OC)c(OC)c2)=O)C1 NCGC00016747-07
N#CC(c1cc(OC)c(OC)cc1)(CCCN(CCc1cc(OC)c(OC)cc1)C)C(C)C NCGC00344584-01
c12cc(OC)c(OC)cc1cc(CC)nc2Cc1ccccc1 NCGC00262967-01
c1(OC)ccc(C(=C(c2ccc(OC)cc2)c2ccc(OC)cc2)Cl)cc1 NCGC00016511-08
o1ccc2c1c(OC)c1c(c2OC)c(=O)cc(C)o1 NCGC00016327-11
C1c2c(nccc2OC)C(S(=O)c2nc3ccccc3[nH]2)CCC1 NCGC00253591-01
c1cc(F)cc2c1C(=Cc1ccc(S(C)=O)cc1)C(C)=C2CC(O)=O NCGC00015970-11
C(CCCCCCCCC1C2C3C(C)(CCC2c2c(cc(O)cc2)C1)C(O)CC3)S(CCCC(C(F)(F)F)(F)F)=O NCGC00164789-04
c1(C(F)(F)F)cc2c(cc1S(N)(=O)=O)S(=O)(=O)NCN2 NCGC00016401-09
c1(C(F)(F)F)c(-n2cncc2)cccc1 NCGC00016047-11
n1(C2OC(CO)C(O)C2)cc(F)c(=O)[nH]c1=O NCGC00023722-08
c1cc(C(=O)CCCN2CCC(C)CC2)ccc1F NCGC00167744-02
C(CCN1CCC2(C(=O)NCN2c2ccccc2)CC1)C(c1ccc(F)cc1)=O NCGC00015964-17
c1cc(N2CCN(CCCN3c4cccc5c4c(ccc5)S3(=O)=O)CC2)ccc1F NCGC00167808-02
FC1(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F NCGC00165971-02
c1cc(C(Cc2cc(I)c(O)c(I)c2)C(O)=O)ccc1 NCGC00160402-02
c1(I)c2c(cc(I)c1O)C1(c3cc(I)c(O)c(I)c3O2)OC(=O)c2ccccc21 NCGC00166249-03
n1n(Cc2cc(C(C)(C#N)C)cc(C(C)(C)C#N)c2)cnc1 NCGC00164619-02
N#Cc1cc(-c2ccncc2)c(C)[nH]c1=O NCGC00015675-11
c1(C#N)c(OCC(CNC(C)(C)Cc2c3ccccc3[nH]c2)O)cccc1 NCGC00167817-02
NNC(CC#N)=O NCGC00166240-02
c1cc(NC(Nc2ccccc2)=N)ccc1 NCGC00090698-06
c1(S(=O)(c2ccc(N)cc2)=O)ccc(N)cc1 NCGC00016322-13
c1c(N)ccc(N)c1 NCGC00159375-04
Nc1nc(NCc2ccc(F)cc2)ccc1NC(OCC)=O.O=C(C=CC(O)=O)O NCGC00015451-05
CC(C(O)=O)(C)ON=C(C(=O)NC1C(=O)N(S(O)(=O)=O)C1C)c1csc(N)n1 NCGC00016936-04
c1(C(=O)c2c(N)ccc(Cl)c2)ccccc1F NCGC00253725-01
N(c1nc(N)nc(N)n1)C1CC1 NCGC00163803-06
s1c(-c2ccccc2)c(N)nc1N NCGC00164489-04
c12c(n(C3OC(CO)C(O)C3F)cn1)nc(Cl)nc2N NCGC00164553-02
Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)N)cc1 NCGC00095129-06
c1cc(CCC(C(=O)O)NC(CCCCN)C(=O)N2C(C(=O)O)CCC2)ccc1.O.O NCGC00179623-04
O1C(CO)C2OC3C(O)C(O)C(C(CO)O3)OC3OC(CO)C(OC4C(O)C(O)C(C(CO)O4)OC4C(O)C(O)C(OC5C(O)C(O)C(C(CO)O5)OC5OC(CO)C(C(O)C5O)OC1C(O)C2O)C(CO)O4)C(O)C3O NCGC00090771-04
OC(C(O)C(CO)O)C(O)CNC NCGC00166125-02
N(=Cc1ccc([N+]([O-])=O)o1)O NCGC00164507-03
c1([N+](=O)[O-])n(C)c(C)nc1 NCGC00249084-02
c1([N+](=O)[O-])oc(C=NNC(c2ccc(O)cc2)=O)cc1 NCGC00179496-04
CC(c1c(O)ccc(NC(CCC)=O)c1)=O NCGC00253700-01
c1cc(NC(=O)C)ccc1 NCGC00091326-06
COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC NCGC00159396-04
c1(C(=O)c2cccs2)ccc(C(C(=O)O)C)cc1 NCGC00094916-06
c1(C(=O)c2ccccc2O)ccc(OC)cc1O NCGC00016393-07
C(C)Cc1cc(OC)c(OCC(=O)N2CCN(C(COc3ccc(CCC)cc3OC)=O)CC2)cc1 NCGC00249927-01
C1(C(=O)N)=NN(C)C(=O)CC1 NCGC00262918-01
[N+]([O-])(=O)c1cc(Cl)c(C(N)=O)cc1 NCGC00094557-06
c1coc(C(N2CCN(c3nc(N)c4c(cc(OC)c(OC)c4)n3)CC2)=O)c1 NCGC00016740-18
c1(NC(c2sccc2)=O)ncc([N+]([O-])=O)s1 NCGC00160655-03
O([N+]([O-])=O)CCNC(=O)c1cnccc1 NCGC00025357-04
C12CC3C(N(C)C)C(O)=C(C(=O)NCN4CCCC4)C(=O)C3(O)C(O)=C1C(=O)c1c(O)cccc1C2(C)O NCGC00263906-02
c1cnccc1C(=O)NN NCGC00016244-15
c12c(cccc1)C(=C1CCN(C)CC1)c1c(cccc1)S2.C(=O)(O)C=CC(O)=O NCGC00016698-06
C(C(=O)O)=CC(O)=O.c1(N)cccc2c1CN(C)CC2c1ccccc1 NCGC00015727-10
OC(C(C(C(O)=O)O)O)=O.C1(C=Cc2sccc2)=NCCCN1C NCGC00174007-04
c12c(nc(C3CCN(CCc4ccc(C(C(O)=O)(C)C)cc4)CC3)n1CCOCC)cccc2 NCGC00262907-01
c1(C(C(=O)O)C)cc2c(cc1)Oc1c(cccn1)C2 NCGC00167980-02
C1(c2csc(C=Cc3cc(NC(=O)CC(C(=O)O)(CC)CC)ccc3)n2)CCC1 NCGC00092300-02
Cn1c(=O)n(C)c2c(n(C)cn2)c1=O.O=C(O)CC(O)(CC(O)=O)C(=O)O NCGC00015208-19
C(Nc1ccc2c(c1)C(C)(C)CCC2(C)C)(=O)c1ccc(C(=O)O)cc1 NCGC00181111-02
C(C)C(OC(=O)c1ccccc1C(=O)O)(C)C#C NCGC00249905-01
c1(CCNc2c(C(=O)O)cccc2)ccccc1 NCGC00262948-01
C(=O)(c1cn2c3c(cc(F)cc3CCC2C)c1=O)O NCGC00018211-10
c1c2c([nH]cc2CCCCN2CCC(c3ccccc3)=CC2)ccc1C(=O)O NCGC00092328-02
c12ccccc1n(Cc1ccc(Cl)cc1Cl)nc2C(=O)O NCGC00015609-09
c1cc(-c2ccccc2-c2[nH]nnn2)ccc1Cn1c2c(C(O)=O)cccc2nc1OCC NCGC00167474-04
c1ccc2c(CC(=O)O)cccc2c1 NCGC00090987-05
O1C(CC(CCCCCCCCCCC)OC(C(NC=O)CC(C)C)=O)C(CCCCCC)C1=O NCGC00165856-03
C1C2(C)C(CC(C)C2(C)C(=O)OC)C2CCC3=CC(=O)C=CC3(C)C2C1O NCGC00179273-03
C1(C(=O)OC)=C(C)NC(C)=C(C(=O)OC(C)C)C1c1c2nonc2ccc1 NCGC00025341-06
N(c1nc2c(ccc(S(=O)c3ccccc3)c2)[nH]1)C(OC)=O NCGC00095157-05
c1cccc(O)c1C(OC1CC(C)(C)CC(C)C1)=O NCGC00091888-09
C(c1ccccc1)(=C(C#N)C(=O)OCC)c1ccccc1 NCGC00166259-02
c1ccncc1C(=O)OCC NCGC00166056-02
Cn1c(C)c(C(OCC)=O)c2cc(O)ccc21 NCGC00160670-03
O(C(=O)CN1CCCC1=O)CC NCGC00253718-01
c1(C(OOC(=O)c2ccccc2)=O)ccccc1 NCGC00159380-05
CC1=C(C)C(=O)C(C)=C(CCCCC#CCCCC#CCO)C1=O NCGC00015053-10
Oc1ccc2c3c1OC1C34C(O)(C(C2)N(CC=C)CC4)CCC1=O NCGC00274058-01
C(O)(CCCCC1C2NC(=O)NC2CS1)=O NCGC00179580-04
c12c(cccc1)C(=O)N(C1C(=O)NC(=O)CC1)C2=O NCGC00015989-17
C1(=O)NC(=O)NC(=O)C1(CC)CC NCGC00159419-04
c1ccc(C(CCCCCC(=O)O)C2=C(C)C(=O)C(C)=C(C)C2=O)cc1 NCGC00181296-02
O1C(Cn2cnc3n(C)c(=O)n(C)c(=O)c23)OCC1 NCGC00159330-03
O=c1n(C)c2ncn(CCO)c2c(=O)n1C NCGC00016479-11
c1cc(N2N=C(C)CC2=O)ccc1 NCGC00018218-10
O=C(c1cnccc1)Nc1c(C)n(C)n(-c2ccccc2)c1=O NCGC00016605-08
C=C1C2=CC(=O)C=CC2(C)C2CCC3(C)C(CCC3=O)C2C1 NCGC00271596-03
C1(=O)c2c(cccc2)C(=O)c2c(O)c(O)ccc21 NCGC00095227-06
c1ccccc1N1N(c2ccccc2)C(=O)C(CCS(=O)c2ccccc2)C1=O NCGC00016255-10
C1=C2C(C)(C3C(C=C2)C2CCC4(OC(=O)CC4)C2(C)CC3)CCC1=O NCGC00263479-01
C12(C)CCC3C(CCC4=CC(=O)CCC43)C1CCC2OC(CCC1CCCCC1)=O NCGC00249920-01
c1(CS(=O)(=O)N2CCCC2)cc2c(CCN(C)C)c[nH]c2cc1 NCGC00095135-05
O=C(c1ccc(S(=O)(N(CC)CC)=O)cc1)O NCGC00160437-03
Nc1ccc(S(=O)(Nc2ncccc2)=O)cc1 NCGC00016408-09
s1c(NS(c2ccc(OC)cc2)(=O)=O)nnc1CC(C)C NCGC00160653-03
c1(NS(=O)(c2ccc(N)cc2)=O)sc(C(C)(C)C)nn1 NCGC00262937-01
N(C(Cc1ccccc1)(C)C)C.OS(=O)(O)=O.CNC(Cc1ccccc1)(C)C NCGC00016570-06
c1cc2c(s1)CCN(C(c1c(Cl)cccc1)C(=O)OC)C2.O=S(O)(O)=O NCGC00163329-03
c1cc2c(cc1)CN(C(N)=N)CC2.c1ccc2c(c1)CN(C(=N)N)CC2.O=S(O)(=O)O NCGC00016513-05
O=C(C(Cl)Cl)NC(CO)C(c1ccc(S(=O)(=O)C)cc1)O NCGC00178319-06
O=C(Nc1c(C)cccc1C)c1cc(S(=O)(N)=O)c(Cl)cc1O NCGC00182543-02
C(C(C)C(=O)N1C(C(=O)O)CCC1)S NCGC00023654-13
c1(N=Nc2ccc(O)c(C(O)=O)c2)ccc(C(NCCC(=O)O)=O)cc1 NCGC00164634-02
c1c(O)c(C(O)=O)cc(N)c1 NCGC00016344-07
Cc1c(O)c(C(=O)O)ccc1 NCGC00095792-03
c1ccc(C(c2ccccc2)(C#CCN2CCCC2)O)cc1 NCGC00160677-02
c1cccc(OCC(O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1OC NCGC00015897-08
OCC(C1C(O)=C(O)C(=O)O1)O NCGC00091517-06
[N+](c1c(O)c(O)cc(C=C(C#N)C(N(CC)CC)=O)c1)([O-])=O NCGC00164555-03
c1cc(O)ccc1C1(c2ccc(O)cc2)c2ccccc2S(=O)(=O)O1 NCGC00013109-03
O=c1c2c(cc(O)cc2O)occ1-c1ccc(O)cc1 NCGC00015479-19
c1c(O)c(O)ccc1C(CNC)O NCGC00142615-08
c1cc(O)ccc1O NCGC00015523-13
c1cc(CCOC2OC(CO)C(O)C(O)C2O)ccc1O NCGC00169145-02
c1ccc(COc2ccc(O)cc2)cc1 NCGC00016360-06
c12ccccc1CCC1C2c2cc(O)c(Cl)cc2CCN1C NCGC00092362-02
c1cc(O)cc2c1CC1N(CC=C)CCC23CCCCC13 NCGC00162247-06
C(C(=O)C1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)O NCGC00021222-06
O=C(CO)C1(OC(CCCC)=O)C(C)CC2C1(C)CC(O)C1(F)C2CCC2=CC(=O)C=CC12C NCGC00274064-01
C1C2C(C(=O)CO)(OC(C)(C)O2)C2(C)CC(O)C3C(C12)CC(F)C1=CC(=O)C=CC13C NCGC00179492-03
Ic1c(C(=O)NCC(CO)O)c(I)c(N(C(C)=O)CC(O)CO)c(I)c1C(NCC(O)CO)=O NCGC00166000-04
C(CCCCCCCCCCCC)CCCCC(=O)OCC(CO)O NCGC00164529-04
C(CCCCNCC(c1cc(CO)c(O)cc1)O)COCCCCc1ccccc1.c1cc(C(O)=O)c(O)c2c1cccc2 NCGC00015938-05
C[N+](CCCCCCCCCC[N+](C)(C)C)(C)C.[Br-].[Br-] NCGC00015323-11
c1cccc(C(C(=O)OC2C[N+](C)(C)CC2)(O)C2CCCC2)c1.[Br-] NCGC00179456-04
c1cc2c(cc1)Oc1c(cccc1)C2C(OCC[N+](C)(C(C)C)C(C)C)=O.[Br-] NCGC00015854-10
c1c2c(ccc1)C(C(OCC[N+](C)(CC)CC)=O)c1ccccc1O2.[Br-] NCGC00016239-04
c1sc(C(=C2C[N+](C)(C)CC(OC)C2)c2cccs2)cc1.[Br-] NCGC00181009-02
C([N+]1(C)CCCCC1)CC(C(N)=O)(c1ccccc1)c1ccccc1.[Br-] NCGC00164621-02
c1ccc([P+](CCCCC(O)=O)(c2ccccc2)c2ccccc2)cc1.[Br-] NCGC00261975-01
C([N+]1(CC)CC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1)C.[Br-] NCGC00262944-01
[Br-].C(c1ccccc1)(C(OC1C[N+](C)(C)CCC1)=O)(c1ccccc1)O NCGC00178896-05
O(C(=O)C(O)(c1ccccc1)c1ccccc1)C1C[N+](C)(CC)CCC1.[Br-] NCGC00018203-06
C[n+]1cccc(OC(N(C)C)=O)c1.[Br-] NCGC00015862-07
O=C(N(C)C)Oc1cccc([N+](C)(C)C)c1.[Br-] NCGC00015730-11
C1CC2C(OC(C(O)(c3ccccc3)c3ccccc3)=O)C[N+]1(C)CC2.[Br-] NCGC00018171-06
C(C(=O)OC1CC2C3C(C(C1)[N+]2(C)C)O3)(c1ccccc1)CO.[Br-] NCGC00022697-03
C12C(C3CC(OC(C(c4ccccc4)CO)=O)CC1[N+]3(C)CCCC)O2.[Br-] NCGC00186628-02
C(CCCCCC)CC=CC([O-])=O.C(CCC=CC(=O)[O-])CCCCC.[Ca+2] NCGC00253601-01
c1ccc(C(C(=O)[O-])C)cc1Oc1ccccc1.c1c(Oc2ccccc2)cc(C(C)C(=O)[O-])cc1.O.O.[Ca+2] NCGC00094887-05
c1(Cl)c2c(c(Cl)c(Cl)c1Cl)C[N+](CC[N+](C)(C)C)(C)C2.[Cl-].[Cl-] NCGC00024930-03
C(CC(=O)OCC[N+](C)(C)C)C(OCC[N+](C)(C)C)=O.[Cl-].[Cl-] NCGC00015971-05
OC(C[N+](C)(C)C)=O.[Cl-] NCGC00015150-04
C(C)(C[N+](C)(C)C)OC(=O)C.[Cl-] NCGC00015045-09
[N+](C)(C)(CC(OC(N)=O)C)C.[Cl-] NCGC00015245-10
[Cl-].O(CC[N+](C)(C)C)C(=O)C NCGC00018123-07
[N+](CCOC(N)=O)(C)(C)C.[Cl-] NCGC00015237-07
c1c([N+](C)(C)CC)cccc1O.[Cl-] NCGC00015409-11
c1(OCC(O)C[N+](C)(C(C)C)C)cccc2ccccc12.[Cl-] NCGC00160378-02
c1nc(CCC)nc(N)c1C[n+]1ccccc1C.Cl.[Cl-] NCGC00263460-01
c12c3c(cc(OC)c1O)CC[N+](C)(C)C3Cc1cc(c(O)cc1)Oc1cc3c(cc1OC)CCN(C)C3Cc1ccc(cc1)O2.Cl.[Cl-] NCGC00178480-03
o1c(N)c[n+](N2CCOCC2)n1.[Cl-] NCGC00024772-02
c1(C=NO)[n+](C)cccc1.[Cl-] NCGC00178286-05
C1CC[N+]2(C3CC(OC(C(c4ccccc4)(c4ccccc4)O)=O)CC2CC3)C1.[Cl-] NCGC00167438-02
N(CC([O-])=O)(CCN(CC([O-])=O)CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+] NCGC00159485-06
N1(CC(C)O)CCN(CC(=O)[O-])CCN(CC([O-])=O)CCN(CC(=O)[O-])CC1.[Gd+3] NCGC00182068-04
C(CN(CCN(CC(=O)[O-])CC(=O)NC)CC([O-])=O)N(CC(=O)[O-])CC(NC)=O.[Gd+3].O NCGC00182547-02
c1ccc(OCC[N+](CC)(CC)CC)c(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-] NCGC00015482-07
[N+]1(C)(C)C2c3cc(c(OC)cc3CC1)Oc1cc(ccc1OC)CC1c3c(c(OC)c(OC)cc3CC[N+]1(C)C)Oc1ccc(cc1)C2.[I-].[I-] NCGC00263444-01
C1CCC[N+](CC2COC(C3CCCCC3)(c3ccccc3)O2)(C)C1.[I-] NCGC00181356-02
C([N+](CC)(CCOc1ccc(C=Cc2ccccc2)cc1)CC)C.[I-] NCGC00025122-02
C(C[N+](C)(C)C)OC(=O)C(c1ccccc1)(c1ccccc1)O.[I-] NCGC00160376-02
o1c(=O)c(C(CC(=O)C)c2ccccc2)c([O-])c2ccccc12.[K+] NCGC00094810-04
[O-]P([O-])(=O)C(=O)[O-].[Na+].[Na+].[Na+] NCGC00178317-03
O=C(CC(C([O-])=O)O)[O-].[Na+].[Na+] NCGC00043225-04
c1(OCC(O)COc2cccc3oc(C([O-])=O)cc(=O)c23)cccc2oc(C(=O)[O-])cc(=O)c12.[Na+].[Na+] NCGC00022858-08
CC1=C(CCC(=O)[O-])c2nc1cc1c(C)c(C=C)c(cc3nc(cc4[nH]c(c(CCC([O-])=O)c4C)c2)C(C=C)=C3C)[nH]1.[Na+].[Na+] NCGC00015844-10
P(C(O)(Cc1cccnc1)P(O)([O-])=O)(O)(=O)[O-].[Na+].[Na+] NCGC00274056-01
P([O-])(=O)(O)C(O)(C)P([O-])(O)=O.[Na+].[Na+] NCGC00179380-04
c1([O-])nn(C)c(SCC2=C(C([O-])=O)N3C(C(NC(C(c4csc(N)n4)=NOC)=O)C3=O)SC2)nc1=O.O.[Na+].O.O.[Na+] NCGC00263961-02
[Na+].[O-]C(C(C(=O)NC1C2SC(C)(C)C(C(=O)[O-])N2C1=O)c1ccccc1)=O.[Na+] NCGC00022579-05
[O-]C(C(C)c1ccc2c(ccc(OC)c2)c1)=O.[Na+] NCGC00016759-04
C12=CC(=O)CCC1(C)C1C(O)CC3(C)C(C(COC(=O)CCC([O-])=O)=O)(O)CCC3C1CC2.[Na+] NCGC00022248-04
C(CCCc1ccccc1)([O-])=O.[Na+] NCGC00018113-07
O(CC(=O)[O-])c1c2ccccc2n(Cc2ccccc2)n1.[Na+] NCGC00263571-01
C(CSC#N)(=O)[O-].[Na+] NCGC00249901-01
S(=O)([O-])(CCS)=O.[Na+] NCGC00178318-04
O=c1c(N(CS([O-])(=O)=O)C)c(C)n(C)n1-c1ccccc1.[Na+] NCGC00178220-05
C(CCCCCCCCCC)COS(=O)([O-])=O.[Na+] NCGC00274082-01
[O-]c1c2ccc(OC3OC(C)(C)C(OC)C(OC(N)=O)C3O)c(C)c2oc(=O)c1NC(=O)c1ccc(O)c(CC=C(C)C)c1.[Na+] NCGC00178810-03
Clc1ccc2ccc(C=Cc3cc(C(SCC4(CC([O-])=O)CC4)CCc4ccccc4C(C)(C)O)ccc3)nc2c1.[Na+] NCGC00164568-04
CC1(C(=O)[O-])C2CCc3c(cc(S(O)(=O)=O)c(C(C)C)c3)C2(C)CCC1.[Na+] NCGC00262925-01
S(=O)(c1cc(C(c2ccc(N(CC)CC)cc2)=C2C=CC(=[N+](CC)CC)C=C2)c(S(=O)(=O)[O-])cc1)([O-])=O.[Na+] NCGC00253597-01
c1cc(C)c(C)cc1C(=O)C(=O)[O-].[Na+] NCGC00249898-01
O=C(c1ccc(Cl)cc1)c1c(C)cc(CC([O-])=O)n1C.[Na+] NCGC00094811-06
O(CCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C)C.[Na+] NCGC00159518-05
O.O.O.c1cc(-c2ccccc2[O-])ccc1.[Na+].O NCGC00091595-07
c1c(S(=O)(=O)Nc2ccccc2C(=O)NCC([O-])=O)ccc(OC(C(C)(C)C)=O)c1.O.O.[Na+].O.O NCGC00263570-01
C(CN)CC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+].O.O.O NCGC00263967-02
n1(C)c(C(c2ccc(C)cc2)=O)ccc1CC(=O)[O-].[Na+].O.O NCGC00178815-03
O(c1c(C(NC2C3N(C2=O)C(C([O-])=O)C(C)(C)S3)=O)c(OC)ccc1)C.O.[Na+] NCGC00178877-03
C(C(c1ccc([N+](=O)[O-])cc1)O)(COC(=O)CCC([O-])=O)NC(=O)C(Cl)Cl.[Na+] NCGC00094619-06
c1(-c2ccccc2Cl)c(C(NC2C(=O)N3C(C(=O)[O-])C(C)(C)SC32)=O)c(C)on1.[Na+] NCGC00178840-05
CC1(C)SC2C(NC(C(c3ccccc3)NC(N3CCN(CC)C(=O)C3=O)=O)=O)C(=O)N2C1C(=O)[O-].[Na+] NCGC00263949-02
C(c1c(O)cc(N)cc1)(=O)[O-].[Na+] NCGC00159472-05
CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C([O-])=O)c1I.[Na+] NCGC00253600-01
N1(CC)CCN(C(NC(c2ccc(O)cc2)C(=O)NC2C3SCC(CSc4nnnn4C)=C(C([O-])=O)N3C2=O)=O)C(=O)C1=O.[Na+] NCGC00179599-03
O=C1NC([S-])=NC(=O)C1(CC)C(CCC)C.[Na+] NCGC00159524-02
c1(=O)[n-]c2[nH]c(=O)[nH]c(=O)c2[nH]1.[Na+] NCGC00274079-01
n1c([N-]S(=O)(c2cccc(OCCOC)c2)=O)nccc1.[Na+] NCGC00249938-01
c1cc(Cl)ncc1CN1CCNC1=N[N+]([O-])=O NCGC00163736-04
C(NC(=C[N+](=O)[O-])NC)CSCc1oc(CN(C)C)cc1 NCGC00015876-11
[O-][N+](=O)c1ccc(C(c2c(=O)oc3c(c2O)cccc3)CC(C)=O)cc1 NCGC00179658-04
[O-][N+](=O)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2C NCGC00164577-02