ID
large_stringlengths
1
7
smiles
stringlengths
15
57
selfies
stringlengths
55
294
safe
stringlengths
15
83
13632
COC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2
[C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch1][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][S][Ring1][N][O][Ring1][S]
C16C2C=CC3(CN7C(=O)C13)O2.c18ccco1.C56=O.CO5.C78
13633
CCOC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2
[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch1][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][S][Ring1][N][O][Ring1][S]
C17C2C=CC3(CN8C(=O)C13)O2.c19ccco1.C57=O.CC6.O56.C89
13634
CC(C)OC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch1][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][S][Ring1][N][O][Ring1][S]
C17C2C=CC3(CN8C(=O)C13)O2.c19ccco1.CC6C.C57=O.O56.C89
13635
CC(C)COC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2
[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch1][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][S][Ring1][N][O][Ring1][S]
C17C2C=CC3(CN8C(=O)C13)O2.c19ccco1.CC(C)C6.C57=O.O56.C89
13636
COC(=O)C1C2C=CC3(CN(Cc4ccc(C)cc4)C(=O)C13)O2
[C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][O][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C][Ring1][=C][O][Ring2][Ring1][C]
C16C2C=CC3(CN7C(=O)C13)O2.c18ccc(C)cc1.C56=O.CO5.C78
13637
CCOC(=O)C1C2C=CC3(CN(Cc4ccc(C)cc4)C(=O)C13)O2
[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][O][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C][Ring1][=C][O][Ring2][Ring1][C]
C17C2C=CC3(CN8C(=O)C13)O2.c19ccc(C)cc1.C57=O.CC6.O56.C89
13638
Cc1ccc(CN2CC34C=CC(O3)C(C(=O)OC(C)C)C4C2=O)cc1
[C][C][=C][C][=C][Branch2][Ring1][P][C][N][C][C][C][=C][C][Branch1][Ring2][O][Ring1][Branch1][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring1][=N][C][Ring1][S][=O][C][=C][Ring2][Ring1][Branch2]
N18CC23C=CC(O2)C7C3C1=O.Cc1ccc9cc1.C57=O.C6(C)C.C89.O56
13639
CNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O
[C][N][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O]
c16cccc2ccccc12.C3(=O)C4.S5(C)(=O)=O.N456.CN3
13640
O=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCCCCC2)C1
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][#C]
c16ccc(F)cc1.N13CCCC5C1.N14CCCCCC1.O=C36.C45=O
13641
O=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCCCCC2)C1
[O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][#C]
c16cccc(F)c1.N13CCCC5C1.N14CCCCCC1.O=C36.C45=O
13642
COc1ccc(C(=O)N2CCCC(C(=O)N3CCCCCC3)C2)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1]
c16ccc8cc1.N14CCCC7C1.N15CCCCCC1.C48=O.C57=O.CO6
13643
O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1
[O][=C][Branch2][Ring1][=C][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][S][N][C][C][C][C][Ring1][Branch1]
S4(=O)(=O)c1ccc(F)cc1.C15CCCN4C1.N13CCCC1.O=C35
13644
O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCCC1
[O][=C][Branch2][Ring1][#Branch2][C][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][N][C][C][C][C][C][Ring1][=Branch1]
S4(=O)(=O)c1ccccc1.C15CCCN4C1.N13CCCCC1.O=C35
13645
O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCC1
[O][=C][Branch2][Ring1][#Branch2][C][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][N][C][C][C][C][Ring1][Branch1]
S4(=O)(=O)c1ccccc1.C15CCCN4C1.N13CCCC1.O=C35
13646
Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCCC3)C2)cc1
[C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1]
Cc1ccc(S5(=O)=O)cc1.N15CCCC6C1.N14CCCC1.C46=O
13647
Cc1cc(C)n(C2=NS(=O)(=O)c3ccccc32)n1
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][=Ring1][P]
Cc1cc(C)n(C2=NS(=O)(=O)c3ccccc32)n1
13648
O=C1CN2C(=N1)N(Cc1ccc(Cl)cc1)c1ccccc12
[O][=C][C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
O=C1CN2C(=N1)N3c1ccccc12.c14ccc(Cl)cc1.C34
13649
O=C1CN2C(=N1)N(Cc1ccccc1Cl)c1ccccc12
[O][=C][C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
O=C1CN2C(=N1)N3c1ccccc12.c14ccccc1Cl.C34
13650
COc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
n16c(=O)oc2ccccc21.c14ccccc15.C3(=O)C6.CO4.N35
13651
CCOc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1
[C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]
n18c(=O)oc2ccccc21.c16ccc7cc1.C4(=O)C8.CC5.O56.N47
13652
COc1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=C][F]
c15c(F)c6nc(F)c1F.c13ccccc14.N16CCOCC1.CO3.O45
13653
COC(=O)C1=C(C)N(C)C(=O)NC1c1cc(OC)ccc1OC
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C]
C2(=O)C1=C(C)N(C)C(=O)NC15.c15cc3ccc14.CO2.O3C.O4C
13654
CC(=O)C(C)n1c(N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C
[C][C][=Branch1][C][=O][C][Branch1][C][C][N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C]
n14c3nc2c1c(=O)n(C)c(=O)n2C.N13CCCCCC1.CC(=O)C4C
13655
COC(=O)C1=C(C)NC(=O)NC1c1cccc(Cl)c1Cl
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]
C2(=O)C1=C(C)NC(=O)NC13.c13cccc(Cl)c1Cl.CO2
13656
Cn1c(=O)[nH]c(=O)c2ncn(CC(=O)c3ccccc3)c21
[C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][N][=C][N][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C][Ring2][Ring1][Ring2]
Cn1c(=O)[nH]c(=O)c2ncn5c21.c14ccccc1.C5C4=O
13657
CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccc(F)cc1
[C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
C2(=O)C1=C(C)NC(=O)NC14.c14ccc(F)cc1.CCC3C.O23
13658
CCC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C
[C][C][C][Branch1][C][C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Branch1][C][C][C]
c14nc2c(c(=O)n(C)c(=O)n2C)n15.CCC3C.C5(C)C.N34
13659
CC(C)n1c(NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C
[C][C][Branch1][C][C][N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C]
n15c3nc2c1c(=O)n(C)c(=O)n2C.C14CCCCC1.CC5C.N34
13660
Cc1c2cnc3nn(-c4ccccc4)c(=O)c-3cc2c(C)n1C
[C][C][=C][C][=N][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][=C][C][Ring1][P][=C][Branch1][C][C][N][Ring2][Ring1][Branch1][C]
Cc1c2cnc3nn5c(=O)c-3cc2c(C)n1C.c15ccccc1
13661
CCOC(=O)c1c(NC(C)=O)sc(C(=O)NC2CCCC2)c1C
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][Ring1][P][C]
c1%10c7sc9c1C.C18CCCC1.C3%10=O.C4(C)=O.C59=O.CC6.O36.N47.N58
13662
Cc1ccc(C(=O)N2CCCN(C(=O)c3ccc(C)cc3)CC2)cc1
[C][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][Branch2]
N14CCCN5CC1.Cc1ccc6cc1.c17ccc(C)cc1.C46=O.C57=O
13663
Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CO
[C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][O]
c15nn(C)c(=O)c2ccccc12.Cc1ccc5cc14.C4O
13664
CC(=O)OCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C
[C][C][=Branch1][C][=O][O][C][C][=C][C][Branch2][Ring1][Branch1][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][C]
c17nn(C)c(=O)c2ccccc12.c16cc7ccc1C.CC4=O.O45.C56
13665
NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O
[N][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O]
n13nc4c2ccccc2c1=O.c14ccccc1.NC(=O)CC3
13666
CNC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O
[C][N][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O]
n14nc5c2ccccc2c1=O.c15ccccc1.C3(=O)CC4.CN3
13667
Cc1nn(CC(=O)N2CCCC2)c(=O)c2ccccc12
[C][C][=N][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1]
Cc1nn4c(=O)c2ccccc12.N13CCCC1.C4C3=O
13668
O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCCC1
[O][=C][Branch2][Ring1][O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O][N][C][C][C][C][Ring1][Branch1]
n14nc5c2ccccc2c1=O.c15ccccc1.N13CCCC1.O=C3C4
13669
Cc1ccc(-c2nn(CCC(N)=O)c(=O)c3ccccc23)cc1
[C][C][=C][C][=C][Branch2][Ring1][O][C][=N][N][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1]
c15nn4c(=O)c2ccccc12.Cc1ccc5cc1.C4CC(N)=O
13670
CNC(=O)CCn1nc(-c2ccc(C)cc2)c2ccccc2c1=O
[C][N][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O]
n14nc5c2ccccc2c1=O.c15ccc(C)cc1.C3(=O)CC4.CN3
13671
CCNC(=O)CCn1nc(-c2ccc(C)cc2)c2ccccc2c1=O
[C][C][N][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O]
n15nc6c2ccccc2c1=O.c16ccc(C)cc1.C3(=O)CC5.CC4.N34
13673
CNC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O
[C][N][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O]
n14nc5c2ccccc2c1=O.c15ccc(Cl)cc1.C3(=O)CC4.CN3
13674
CCC(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C
[C][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch2][Ring1][Branch1][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][C]
c17nn(C)c(=O)c2ccccc12.c16cc7ccc1C.CCC4=O.N45.C56
13675
Oc1ccccc1C1OCC2(CO1)COC(c1ccccc1O)OC2
[O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][Branch1][Branch1][C][O][Ring1][=Branch1][C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][C][Ring1][#C]
C13OCC2(CO1)COC4OC2.Oc1ccccc13.c14ccccc1O
13676
Cc1cccc(OCc2nc(-c3ccccn3)no2)c1C
[C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring1][C]
Cc1cccc5c1C.c16nc7no1.c17ccccn1.O45.C46
13677
CCNC(=O)CN1C(=O)c2cccc3cccc1c23
[C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1]
C4(=O)CN1C(=O)c2cccc3cccc1c23.CC5.N45
13678
Cn1c(=O)[nH]c(=O)c2[nH]c(Cc3ccccc3)nc21
[C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][NH1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][N][Ring2][Ring1][C]
Cn1c(=O)[nH]c(=O)c2[nH]c4nc21.c15ccccc1.C45
13679
CC(C)CNC(=O)CN1C(=O)c2cccc3cccc1c23
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1]
C4(=O)CN1C(=O)c2cccc3cccc1c23.CC(C)C5.N45
13680
O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccc(Cl)cc1
[O][=C][C][Branch1][C][F][=C][N][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
O=c1c(F)cn5c(=O)n13.c14ccc(Cl)cc1.C15CCCO1.C34
13681
COc1ccc(C2C(C(C)=O)C(=O)CC(C)(O)C2C(C)=O)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][O][C][Ring1][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Branch1]
C16C4C(=O)CC(C)(O)C15.c13ccc6cc1.C4(C)=O.C5(C)=O.CO3
13682
CC(=O)C1C(=O)CC(C)(O)C(C(C)=O)C1c1ccc(F)cc1
[C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
C12C(=O)CC(C)(O)C3C14.c14ccc(F)cc1.CC2=O.C3(C)=O
13684
CC1(C)CC(=O)c2sc(NC(=O)c3ccccc3F)nc2C1
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][=Ring1][#C][C][Ring2][Ring1][Branch1]
CC1(C)CC(=O)c2sc5nc2C1.c16ccccc1F.C46=O.N45
13685
COc1cccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1
[C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1]
c16nc2c(s1)C(=O)CC(C)(C)C2.c15cccc7c1.C47=O.CO5.N46
13686
CC1(C)CC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C1
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][=Ring1][#C][C][Ring2][Ring1][Branch1]
CC1(C)CC(=O)c2sc5nc2C1.c16cccc(F)c1.C46=O.N45
13690
CC(=O)N1c2ccccc2C(=O)C1Cc1ccccc1
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
N13c2ccccc2C(=O)C14.c15ccccc1.CC3=O.C45
13691
Cc1ccc(-c2csc(NC(=O)c3cnccn3)n2)c(C)c1
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Branch1]
Cc1ccc7c(C)c1.c17csc5n1.c16cnccn1.C46=O.N45
13692
Cc1onc(-c2ccccc2)c1C(=O)N=c1[nH]c2ccccc2[nH]1
[C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
C3(=O)N=c1[nH]c2ccccc2[nH]1.Cc1onc4c13.c14ccccc1
13693
CCC1CCc2c(sc(NC(=O)c3cnccn3)c2C(=O)OC)C1
[C][C][C][C][C][C][=C][Branch2][Ring1][O][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring1][=C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][=Branch1]
C19CCc2c(sc6c28)C1.c17cnccn1.C57=O.C48=O.CC9.N56.O4C
13694
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccs1
[C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1]
Cc1onc7c15.c17ccccc1Cl.c16cccs1.C35=O.N34.C46
13695
CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S]
c16ccc(S4(=O)=O)cc1.c15ncccn1.CS3(=O)=O.N36.N45
13697
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CC1
[O][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][C][C][C][Ring1][Ring1]
c16ccc(S4(=O)=O)cc1.c15ncccn1.O=C37.C17CC1.N36.N45
13698
CCOC(=O)c1c(NC(=O)c2ccn(CC)n2)sc2c1CCC2
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring1][C][C][N][=Ring1][#Branch1][S][C][=C][Ring1][#C][C][C][C][Ring1][Branch1]
c18c6sc2c1CCC2.c17ccn9n1.C38=O.C47=O.CC5.O35.N46.C9C
13699
CC(C)CC(=O)Nc1ccc(N2CCOCC2)c2nonc12
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][O][N][=C][Ring1][#C][Ring1][Branch1]
c14ccc5c2nonc12.CC(C)CC3=O.N15CCOCC1.N34
13700
O=C(Nc1nnc(CC2CCCC2)s1)c1cnccn1
[O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][S][Ring1][O][C][=C][N][=C][C][=N][Ring1][=Branch1]
c14nnc6s1.c15cnccn1.C17CCCC1.O=C35.N34.C67
13701
COc1cc(CO)cc(-c2cc(CO)cc(OC)c2OC)c1OC
[C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][Ring2][O][C]
c13cc7cc9c16.c19cc8cc4c15.CO3.C7O.C8O.O4C.O5C.O6C
13702
COc1cc(NC(=O)c2cc(C)on2)cc(OC)c1
[C][O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P]
c14cc5cc6c1.c17cc(C)on1.C37=O.CO4.N36.O5C
13703
Cc1noc(C)c1C(=O)Nc1nnc(CC2CCCC2)s1
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][S][Ring1][O]
Cc1noc(C)c15.c14nnc6s1.C17CCCC1.C35=O.N34.C67
13704
Cc1noc(C)c1C(=O)Nc1nnc(-c2ccccc2)s1
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O]
Cc1noc(C)c15.c14nnc6s1.c16ccccc1.C35=O.N34
13705
CCc1noc(C)c1C(=O)Nc1nnc(-c2ccc(OC)cc2)s1
[C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring1][=N]
c17noc(C)c16.c18ccc4cc1.c15nnc8s1.C36=O.CC7.N35.O4C
13706
COc1ccccc1-n1c(C)nc(=O)c(-c2ccccc2)c1C
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C]
n14c(C)nc(=O)c5c1C.c13ccccc14.c15ccccc1.CO3
13707
CCc1noc(C)c1C(=O)N1CC(C)OC(C)C1
[C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2]
N12CC(C)OC(C)C1.c14noc(C)c13.C23=O.CC4
13708
CCc1noc(C)c1C(=O)Nc1nnc(C2CCCCC2)s1
[C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O]
c16noc(C)c15.c14nnc7s1.C17CCCCC1.C35=O.CC6.N34
13709
Fc1ccc(-c2cc(C(F)(F)F)n3ncnc3n2)cc1
[F][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][N][=C][N][=C][Ring1][Branch1][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1]
c15cc4n2ncnc2n1.Fc1ccc5cc1.C4(F)(F)F
13710
CCOC(=O)c1ccc(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)cc1
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2]
C128CCC(C)(C(=O)C1)C2(C)C.c19ccc7cc1.C49=O.C58=O.CC6.O46.N57
13711
COc1ccc(C(=O)Oc2cccc3cccnc23)cc1OC
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C]
c16cccc2cccnc12.c15ccc8cc17.C48=O.CO5.O46.O7C
13712
CC(=O)Nc1ccc(NC(=O)c2cnccn2)cc1
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C]
c15ccc6cc1.c17cnccn1.CC3=O.C47=O.N35.N46
13715
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)nc(C)n1
[C][C][=C][C][Branch2][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N][=N][C][Branch1][C][C][=N][Ring2][Ring1][#Branch1]
S5(=O)(=O)c1ccc7cc1.Cc1cc6nc(C)n1.C48=O.C18CC1.N56.N47
13720
O=C(NCC1CCCO1)C1c2ccccc2Oc2ccccc21
[O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
O=C3C1c2ccccc2Oc2ccccc21.C15CCCO1.N34.C45
13722
CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3c(=O)o2)cc1
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][C][=C][Ring2][Ring1][Ring2]
c18cc2ccccc2c(=O)o1.c19ccc7cc1.C49=O.C58=O.CC6.O46.N57
13723
CCOC(=O)c1ccccc1NC(=O)c1cnccn1
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1]
c17ccccc15.c16cnccn1.C27=O.C36=O.CC4.O24.N35
13724
COc1cccc(OC)c1C(=O)Nc1cc(C)on1
[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]
c13cccc4c16.c15cc(C)on1.C26=O.CO3.O4C.N25
13726
CCSc1nnc(NC(=O)c2cnccn2)s1
[C][C][S][C][=N][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][S][Ring1][=C]
c17nnc5s1.c16cnccn1.C36=O.CC4.S47.N35
13727
Cc1cccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1C
[C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][Branch1][C]
Cc1cccc5c1C.N15CCN4CC1.c16ccc(F)cc1.C46=O
13731
Cc1cc(NC(=O)COc2ccc(Cl)cc2)no1
[C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][P]
c15ccc(Cl)cc1.Cc1cc6no1.C3(=O)C4.N36.O45
13736
Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)o1
[C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][O][Ring2][Ring1][=Branch2]
c18cc6c2ccccc2n1.Cc1ccc8o1.c17ccccn1.C46=O.N45.C57
13743
CCc1nn2cc(-c3ccc(Cl)cc3)nc2s1
[C][C][C][=N][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][N][S][Ring1][#C]
c14nn2cc5nc2s1.c15ccc(Cl)cc1.CC4
13745
Cc1cc(NC(=O)c2cccc(C(=O)Nc3cc(C)on3)n2)no1
[C][C][=C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][Ring1][#C][=N][O][Ring2][Ring1][#Branch1]
c18cccc9n1.Cc1cc6no1.c17cc(C)on1.C48=O.C59=O.N46.N57
13746
COc1ccccc1C(=O)N1CCN(c2ncccn2)CC1
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N]
c14ccccc16.N13CCN5CC1.c15ncccn1.C36=O.CO4
13748
CCc1cccc(C)c1NC(=O)c1cc2ccccc2c(=O)o1
[C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O]
c15cc2ccccc2c(=O)o1.c16cccc(C)c14.C35=O.CC6.N34
13750
COc1ccc(CCC(=O)Nc2cccc3ccc(C)nc23)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][O][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1]
c16cccc2ccc(C)nc12.c15ccc7cc1.C7CC4=O.CO5.N46
13751
O=C(c1cccc(F)c1)N1CCCN(C(=O)c2cccc(F)c2)CC1
[O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][S]
N13CCCN4CC1.c15cccc(F)c1.c16cccc(F)c1.O=C35.C46=O
13752
Cn1cc(CNC(=O)C2c3ccccc3Oc3ccccc32)cn1
[C][N][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=N][Ring2][Ring1][#Branch1]
C4(=O)C1c2ccccc2Oc2ccccc21.Cn1cc6cn1.C56.N45
13754
COc1ccc(OC)c(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1]
c14ccc5c6c1.n17nc8cc1C.C3(=O)C7.C8(F)(F)F.CO4.O5C.N36
13756
O=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1cnccn1
[O][=C][Branch2][Ring1][#Branch1][N][C][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][=N][C][=C][N][=C][C][=N][Ring1][=Branch1]
c17ccc(F)cc1.c14ccn6n1.c15cnccn1.O=C35.N34.C67
13757
CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(C)cc1
[C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
c17nc2ccccc2n15.c16ccc(C)cc1.c14nonc17.CC3=O.N34.C56
13759
COc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1Cl
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring2][Cl]
c14ccc5cc1Cl.n16nc7cc1C.C3(=O)C6.C7(F)(F)F.CO4.N35
13761
CCOc1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1
[C][C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=N][C][=C][Ring2][Ring1][=Branch1]
c16ccc8cc1.c1%10ccc(F)cc1.c17cnn9c1.C48=O.CC5.O56.N47.C9%10
13762
Cc1ccc(C)c(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][N][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Branch2]
Cc1ccc(C)c7c1.N14CCN5CC1.c18ccco1.C6C4=O.C58=O.O67
13763
CCn1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)n1
[C][C][N][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][C][=C][Ring1][O][=N][Ring2][Ring1][Ring1]
c15ccc6cc1.n18ccc7n1.C37=O.N46C.C4(C)=O.CC8.N35
13764
Cc1onc(-c2ccccc2)c1C(=O)n1cc(Br)cn1
[C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1]
C3(=O)n1cc(Br)cn1.Cc1onc4c13.c14ccccc1
13765
CCn1cc(Cl)c(C(=O)Nc2ccc(N(C)C(C)=O)cc2)n1
[C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][C][=C][Ring1][O][=N][Ring2][Ring1][Ring2]
n18cc(Cl)c7n1.c15ccc6cc1.C37=O.N46C.C4(C)=O.CC8.N35