716 SMILES Strings for Tyrosyl-DNA phosphodiesterase 2

Compound Name
SMILES String
CCCCOC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O |c:9|
Nc1c(sc2nc(cc(-c3ccco3)c12)-c1ccccc1)C#N
CC1(C)CC(=O)C(C(=O)C1)C1(O)C(=O)NC(=O)NC1=O
COc1ccccc1OCC(=O)Nc1nnc[nH]1
OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
COc1ccc(cc1)-n1[nH]c(C)cc1=O
COc1ccc-2c(Cc3sc(NC(C)=O)nc-23)c1
OC12OC3=C(C(=O)CCC3)C1(O)C(=O)c1ccccc21 |t:3|
CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12
Nc1ccc2nn(nc2c1)-c1cccc2ccccc12
Cc1cc2c(N)cccc2nn1
COc1ccc2noc3-c4ccccc4C(=O)c1c23
CCOC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O |c:7|
COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
CC(=O)N1CCn2c3C1CCc3c(=O)c1cc(C)ccc21
O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10|
Clc1ccc(cc1)-c1csc2nc3cccc4cccc(c34)n12
Cc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
Cc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
COc1ccc(cc1)C(=O)Nc1nc-2c(Cc3cc(OC)ccc-23)s1
O=C1\C(=C\Nc2cccc3nsnc23)C=Cc2ccccc12 |c:16|
O=C(NN=c1c(=O)c2ccccc2c1=O)c1ccccc1 |(12.72,1.32,;11.95,-.02,;10.41,-.02,;9.64,1.32,;8.1,1.32,;7.2,.08,;7.68,-1.39,;5.75,.55,;4.41,-.22,;3.08,.55,;3.08,2.09,;4.41,2.86,;5.75,2.09,;7.2,2.56,;7.68,4.02,;12.72,-1.35,;11.95,-2.69,;12.72,-4.02,;14.26,-4.02,;15.03,-2.69,;14.26,-1.35,)|
CCOC(=O)C1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O |c:5|
Cc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 |c:6|
O=C1C(N2CCOCC2)=C(C(=O)c2ccccc12)n1nnc2ccccc12 |c:9|
CCOC(=O)C1C(C)=N[C@@]2(O)c3ccccc3C(=O)[C@@]12O |c:7|
CCOC(=O)C1=C(C)OC(=N)C(C#N)C1c1ccc(O)c(OC)c1 |c:5|
Cc1oc-2c(c1C(=O)c1ccccc1)C(=O)C(=O)c1ccccc-21
CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(CC2)c2ccc(F)cc2)C(=O)c2ccccc2C1=O |c:15|
CC(=O)N(N=C1Sc2ccccc2C1=O)c1cccc(C)c1 |w:4.3|
CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3|
N[n+]1cnn[c-]1\[NH+]=N\[CH-]c1ccc(Cl)c(c1)[N+]([O-])=O
Fc1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|
CC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:8|
Oc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1 |c:7|
CCOc1cc(C=c2c(=C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccco1 |w:6.5|
Cc1ccc(cc1C)-n1[nH]c(=C)c(=Cc2ccc3n(C)c(=O)n(C)c3c2)c1=O |w:13.14|
N[n+]1cnn[c-]1\[NH+]=N\[CH-]c1ccc(o1)-c1ccccc1[N+]([O-])=O
Cc1cccc2cc(C=C3C(=O)NC(=O)NC3=O)c(=O)[nH]c12 |(11.11,-5.42,;11.13,-3.88,;12.52,-3.09,;12.52,-1.48,;11.13,-.69,;9.75,-1.51,;8.41,-.74,;7.08,-1.51,;5.75,-.74,;5.75,.8,;4.41,1.57,;3.08,.8,;4.41,3.11,;5.75,3.88,;5.75,5.42,;7.08,3.11,;7.08,1.57,;8.41,.8,;7.08,-3.05,;5.75,-3.82,;8.41,-3.82,;9.75,-3.05,)|
Cc1[nH][nH]c(=O)c1C(c1cn(Cc2ccccc2Cl)c2ccccc12)c1c(C)[nH][nH]c1=O
Clc1ccc(cc1)S(=O)(=O)Nc1cc2nc3ccccc3nc2n1Cc1ccccc1
Cc1cccc(c1)C(=O)CC(c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O
COc1ccc(cc1OC)C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O
COc1cccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1OC
Cc1ccc(C)c(c1)-n1c2ccc(cc2cc2c1nc(=O)[nH]c2=O)[N+]([O-])=O |(7.19,4.65,;8.52,3.88,;9.85,4.65,;11.19,3.88,;11.19,2.34,;12.52,1.57,;9.85,1.57,;8.52,2.34,;9.85,.03,;8.52,-.74,;7.14,.08,;5.75,-.71,;5.75,-2.32,;7.14,-3.11,;8.52,-2.28,;9.85,-3.05,;11.19,-2.28,;11.19,-.74,;12.56,.08,;13.96,-.71,;15.29,.06,;13.96,-2.32,;12.56,-3.11,;12.55,-4.65,;4.42,-3.09,;3.08,-2.33,;4.42,-4.63,)|
Brc1ccc(C=c2c(=C)[nH]n(-c3ccccc3)c2=O)s1 |w:5.4|
COc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1
Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O
Oc1ccc(cc1)\N=C\c1sc2ccccc2c1Cl
O=C1c2ccccc2C(=O)C11OC1c1cccc2ccccc12
CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)OCC)c2nc3ccccc3nc12
COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N1CCNCC1
Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(C)cc1
Cc1ccc(cc1)-n1c2ccc(cc2cc2c1nc(=O)[nH]c2=O)[N+]([O-])=O
COc1ccc(Nc2c(O)c3ccccc3c(O)c2NCC=O)cc1
CCC=Nc1c(O)c2ccccc2c(O)c1N(C(C)=O)c1cccc(F)c1 |w:3.3|
Cc1ccc(Nc2c(O)c3ccccc3c(O)c2NCC=O)cc1
CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O
[H][C@]12Cc3cc(OC)c(OC)cc3-c3c4OCOc4cc(CCN1C)c23
COc1cc2C[C@@H]3[NH+](C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
Clc1ccc(NC(=S)Nc2cccc3cnccc23)cc1
Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(cc1)C(O)=O
CC(C)(C)c1cc(=O)n([nH]1)-c1ccccc1
S=C(Nc1ccc2nsnc2c1)N1CCCCC1
OC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:11|
Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1cccc(c1)C(O)=O)c1c(C)[nH][nH]c1=O
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)ncn1 |w:19.18|
COc1ccc(O)c(c1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3|
COC(=O)c1ccc(cc1)-c1ccc(o1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1ccc(cc1)C(O)=O)c1c(C)[nH][nH]c1=O
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
S=C(Nc1ccc2nsnc2c1)N1CCCCCC1
COC(=O)c1ccccc1-c1ccc(o1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
COc1cc(C(=O)c2nccc3cc(OC)c(OC)cc23)c(cc1OC)[N+]([O-])=O
CCc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Cc1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)o1
Cc1cc(=O)n([nH]1)C1CCS(=O)(=O)C1
S=C(Nc1ccc2nsnc2c1)N1CCCC1
Nc1ccc(N2CCCCC2)c2nonc12
c1cc(c2c(c1N)non2)N3CCOCC3
Nc1ccc(Br)c2cccnc12
CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
CC1(C)Cc2ccccc2C2=NNC(=O)C2=N1 |c:17,t:11|
CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
C=CCN(CC=C)C(=S)Nc1ccc2nsnc2c1
OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1ccccc1C(O)=O)c1c(C)[nH][nH]c1=O
CCCCCCCCc1c(O)nc([nH]c1=O)-n1[nH]c(C)c(CCO)c1=O
COC(=O)c1cccc(c1)-c1ccc(o1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
OCCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Cc1nnc(N=NCc2ccccc2O)n1N |w:5.4|
CC(OC(=O)c1ccc(s1)[N+]([O-])=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
Oc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
Brc1ccc(o1)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1
CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
CCOC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:5|
OC(=O)c1ccc(NC2=C(C(=O)c3ccccc3C2=O)n2nnc3ccccc23)cc1 |t:8|
CN(C)c1cc(Cl)c2nonc2c1N
CCC(CNc1cc(OC)cc2cccnc12)NC1CCCCC1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#8]-[#6]-[#6](-[#8])=O)-[#6](=O)-c2ccccc2-[#6]-1=O |c:5|
Nc1cccc2c(cccc12)[As](O)(O)=O
COc1ccccc1N(N=C1Sc2ccccc2C1=O)C(C)=O |w:9.9|
Nc1cccc2ccc(cc12)[As](O)(O)=O
C[n+]1cccc2cccc([O-])c12
C[n+]1cccc2c(Br)ccc([O-])c12
O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccco1
C1CCN(C1)c1ccn[c-]2[cH-][cH-][cH-][c-]12
OC(=O)\C=C\C(=O)Nc1ccc(O)cc1
NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc1
[#6]-[#8]-c1c[c-](\[#6]=[#6]2/[#6](=O)-[#7](-[#7]/[#6]/2=[#7+]-2\[#6]-[#6]-[#8]-[#6]-[#6]-2)-c2ccc(cc2)-[#7+](-[#8-])=O)ccc1=O
[O-][N+](=O)c1c(Nc2ccccn2)cc(Cl)c2nonc12
Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
OC1(NC(=O)Cc2ccccc2)C(=O)c2ccccc2C1=O
OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
OC1(NC(=O)Cc2ccccc2Cl)C(=O)c2ccccc2C1=O
COc1cc(cc(OC)c1OC)C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O
OC1C(=O)C(=O)C(=O)c2ccccc12
O=c1[nH]c(Nc2ccccn2)cc2ccccc12
COc1ccccc1Nc1cc2cc(Br)ccc2c(=O)[nH]1
COc1ccc(OC)c(Nc2cc3ccccc3c(=O)[nH]2)c1
Clc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
CC(=O)c1cccc(c1)-c1ccc2c(cc(Nc3ccccc3)[nH]c2=O)c1
Brc1ccc2c(c1)cc(Nc1ccccc1)[nH]c2=O
CCOc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
O=C1C=C(N2CCCCC2)c2ccccc2C1=O |t:2|
COc1cc(Br)c(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
Oc1c(Br)cc(Br)cc1CNc1cccc2cccnc12
NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:9|
c1ccc2c(c1)ccc(c2/C=N/c3ccc(cc3)O)O
COC(=O)c1cc(C)nc2C(=CC(=O)C(=O)c12)N1CCOCC1 |c:10|
CC1(C)Cc2c(CO1)nn(-c1ccccc1)c(=N)c2C#N
O=C1C=C(N2CCOCC2)c2ccccc2C1=O |t:2|
CC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(Br)cc12
COC1=C(N2CCOCC2)C(=O)c2ccccc2C1=O |c:2|
C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1
COc1ccc(C=c2c(=C)[nH]n(-c3ccccc3)c2=O)cc1Br |w:6.5|
CC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(F)cc12
Nc1nc(C(C#N)C#N)c(C#N)c(-c2ccccc2)c1C#N
OC(=O)COc1ccc(Br)cc1\C=C1/C(=O)Nc2ccc(Br)cc12
CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|
COc1ccc(cc1)C(C[N+]([O-])=O)c1c(C)[nH]n(-c2ccccc2)c1=O
[O-][N+](=O)c1ccccc1SC1C(=O)NC(=O)NC1=O
Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:10.10,t:13|
COc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Oc1ccc(NS(=O)(=O)c2cccs2)c2ccccc12
CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
COc1ccc(CN=Nc2nc(O)c(CC(O)=O)s2)cc1OCc1ccc(Cl)cc1 |w:8.8|
Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |w:11.12,t:9|
Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
O=C1C(=O)c2ccccc2-c2ccccc12
CN(C)c1cccc2n(C)nc(NS(=O)(=O)c3cn(C)cn3)c12
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4O
[O-]C(=O)c1ccccc1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12 |(5.85,4.65,;5.85,3.11,;4.52,2.34,;7.18,2.34,;7.18,3.88,;8.52,4.65,;9.85,3.88,;9.85,2.34,;8.52,1.57,;8.52,.03,;9.85,-.74,;11.23,.08,;12.62,-.71,;13.95,.06,;12.62,-2.32,;13.95,-3.09,;11.23,-3.11,;11.21,-4.65,;9.85,-2.28,;8.52,-3.05,;7.18,-2.28,;5.81,-3.11,;5.82,-4.65,;4.41,-2.32,;3.08,-3.09,;4.41,-.71,;3.08,.06,;5.81,.08,;7.18,-.74,)|
[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1ccc(F)cc1
[O-][N+](=O)c1ccc(s1)C(=O)OCc1nnc(o1)-c1ccccc1
CCC(CO)Oc1cc(NC(=O)c2cccc(OC)c2)c2ncn(C(C)C)c2c1
CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)c1ccc(s1)[N+]([O-])=O |c:11|
COc1cc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc(OC)c1OC
CC1CCCC(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)C1C
COc1cc(NCCCC(C)N)c2ncccc2c1
CN1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:8|
COc1cc(NCCCNC(C)C)c2nccc(C)c2c1
Oc1ccc(C=CC(=O)c2ccc(NC3=C(N4CCCCC4)C(=O)c4ccccc4C3=O)cc2)cc1 |w:6.6,c:14|
CCCCn1c(NS(=O)(=O)c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc12
CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
COc1cc(cc(c1O)[N+]([O-])=O)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
CCCCn1c(NC(=O)c2ccc(Br)o2)c(C(=O)OCC)c2nc3ccccc3nc12
CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C
COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccccc2)n(CC=C)c2nc3ccccc3nc12
CC(C)OP(=O)(OC(C)C)C1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc12 |t:22|
CCN(CC)CCCC(C)n1c2ccc(Cl)cc2nc2c1nc(=O)[nH]c2=O
CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc2c1O
Nc1n([nH]c2cc(=O)[nH]c(=O)c12)-c1ccccc1
NC1=C(Cl)C(=O)c2ccc(cc2C1=O)S(N)(=O)=O |c:1|
COc1cc(N)c2ncccc2c1Br
[O-][N+](=O)c1ccccc1\C=C1/SC(=O)NC1=O
O=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1 |t:3|
O=C1C=C(Nc2cccnc2)c2ccccc2C1=O |t:2|
CCOc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:8|
COC1=CC(=O)c2c(ccc3ncnc(N)c23)C1=O |t:2|
NC1=C(Br)C(=O)c2ncccc2C1=O |c:1|
CCCC(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O |c:6|
Cc1ccc2C(=O)C(=O)c3ccc(C)c(C)c3-c2c1C
Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2ncccc12 |w:4.3|
Cc1cc(NC2=CC(=O)C(=O)c3ccccc23)no1 |t:5|
COc1cc(CC=Nc2cc(O)c3ncccc3c2O)ccc1O |w:7.7|
CC(Nc1cc(O)c2cccnc2c1O)C(=O)c1ccccc1
I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1-c1ccccc1C(=O)C2=O
CCN(CC)CCCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31
C[n+]1c(cc2n1c1ccccc1\c2=C/c1ccc(cc1)[N+]([O-])=O)-c1ccccc1
C[n+]1c(cc2n1c1ccccc1c2=Cc1ccccc1)-c1ccccc1
COc1cc(C=c2c3ccccc3n3[n+](C)c(cc23)-c2ccccc2)cc(OC)c1OC
CCOC(=O)c1cc2n([n+]1C)c1ccccc1c2=Cc1ccc(cc1)N(C)C
[H][C@]1(c2cccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O)[C@]1([H])c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O
Cn1c2cc(N)ccc2cc2ccc(=[NH2+])cc12
O=C1CC(=O)c2[nH]c(=O)ccc2C1=O
Clc1ccccc1\N=N\c1ccccn1
NC1=CC(=O)C(=O)c2cccnc12 |t:1|
C[C@H]1C2=C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2=O)O
Cc1cnc(C2OCCO2)c2cccc(N)c12
OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
Fc1ccc(Nc2cncc(c2)-c2ccsc2)cc1Cl
O=C1C(=O)c2cccnc2-c2ncccc12
COC1=CC(=O)c2nc(Cl)ccc2C1=O |t:2|
O=C(Nc1c([nH][nH]c1=O)-c1ccc2OCOc2c1)c1ccccc1
O=C(Nc1c([nH][nH]c1=O)-c1ccc2OCOc2c1)c1ccc2OCOc2c1
COc1ccc(cc1)-c1[nH][nH]c(=O)c1NC(=O)c1ccc(C)cc1
Cc1ccc(cc1)C(=O)Nc1c([nH][nH]c1=O)-c1ccc(Cl)cc1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1cccnc1
O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
O=c1nc2n(-c3ccccc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Oc1ccc(cc1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O
O=c1nc2n(-c3ccccc3)c3ccccc3cc2c(=O)[nH]1
FC(F)(F)Oc1ccc(cc1)N1C2NC(=O)NC(=O)C2=Cc2ccc(cc12)C#N |c:21|
FC(F)Oc1ccc(cc1)N1C2NC(=O)NC(=O)C2=Cc2ccc(cc12)C#N |c:20|
O=C1NC2N(c3ccc4OCOc4c3)c3cc(ccc3C=C2C(=O)N1)C#N |c:23|
FC1(F)Oc2ccc(cc2O1)N1C2NC(=O)NC(=O)C2=Cc2ccc(cc12)C#N |c:22|
O=C1NC2N(c3ccc(Oc4ccccc4)cc3)c3cc(ccc3C=C2C(=O)N1)C#N |c:27|
O=C1NC2N(c3cccc(Oc4ccccc4)c3)c3cc(ccc3C=C2C(=O)N1)C#N |c:27|
Fc1ccc(Oc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)cc1 |c:22|
Clc1ccc(Oc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)cc1 |c:22|
OC(=O)c1cccc(Oc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1 |c:25|
O=C1NC2N(c3ccc(OCc4ccccc4)cc3)c3cc(ccc3C=C2C(=O)N1)C#N |c:28|
O=C1NC2N(c3cccc(OCc4ccccc4)c3)c3cc(ccc3C=C2C(=O)N1)C#N |c:28|
Clc1ccc(COc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)cc1 |c:23|
Brc1ccc(COc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)cc1 |c:23|
Clc1cccc(COc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1 |c:24|
COC(=O)c1cccc(COc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1 |c:27|
OC(=O)c1cccc(COc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1 |c:26|
O=C(Nc1ccc(Oc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)cc1)Oc1ccccc1 |c:24|
CC1(C)OB(OC1(C)C)c1cccc(Oc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1 |c:32|
OB(O)c1cccc(Oc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1 |c:25|
CC1(C)OB(OC1(C)C)c1cccc(COc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1 |c:33|
CC1(C)OB(OC1(C)C)c1ccc(COc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)cc1 |c:32|
OB(O)c1cccc(COc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1 |c:26|
OB(O)c1ccc(COc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)cc1 |c:25|
CN1C(=O)NC2N(c3ccc(O)cc3)c3cc(ccc3C=C2C1=O)C#N |c:22|
Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccccc1 |c:17|
Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(F)cc1 |c:17|
Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1 |c:17|
Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Br)cc1 |c:17|
COC(=O)c1cccc(c1)N1C(=O)NC2N(c3ccc(O)cc3)c3cc(ccc3C=C2C1=O)C#N |c:32|
NC(=O)c1cccc(c1)N1C(=O)NC2N(c3ccc(O)cc3)c3cc(ccc3C=C2C1=O)C#N |c:31|
Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1cccc(NC(=O)Oc2ccccc2)c1 |c:17|
Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(NC(=O)Oc2ccccc2)cc1 |c:17|
Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1cccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1 |c:17|
Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 |c:17|
Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(CNP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 |c:17|
Oc1cccc(c1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1 |c:17|
Oc1cccc(c1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1cccc(Cl)c1 |c:17|
Oc1cccc(c1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)c(Cl)c1 |c:17|
Clc1ccc(cc1)N1C(=O)NC2N(c3ccccc3)c3cc(ccc3C=C2C1=O)C#N |c:28|
CS(=O)(=O)Nc1cccc(c1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1 |c:21|
CS(=O)(=O)Nc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1 |c:21|
OB(O)c1cccc(c1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1 |c:19|
O=C(O)c1ccc(Nc2c(-c3ccccc3)nc3ccccn23)cc1
N#Cc1ccc(-c2ccc(/C=NOCc3ccc4nc(-c5ccccc5)c(Nc5ccc(C(=O)O)cc5)n4c3)cc2)nc1
N#Cc1ccc(-c2ccc(/C=N/OCc3ccc4nc(-c5ccccc5)c(Nc5ccc(C(=O)O)cc5)n4c3)cc2)nc1
Cc1cncc(Oc2ccc(/C=NOCc3ccc4nc(-c5ccccc5)c(Nc5ccc(C(=O)O)cc5)n4c3)cc2)n1
Cc1cncc(Oc2ccc(/C=N/OCc3ccc4nc(-c5ccccc5)c(Nc5ccc(C(=O)O)cc5)n4c3)cc2)n1
O=C(O)c1ccc(Nc2c(-c3ccccc3)nc3cc(-c4ccccc4)ccn23)cc1
N#Cc1ccc(-c2ccc(/C=NOCc3ccc(-c4nc5cc(-c6ccccc6)ccn5c4Nc4ccc(C(=O)O)cc4)cc3)cc2)nc1
N#Cc1ccc(-c2ccc(/C=N/OCc3ccc(-c4nc5cc(-c6ccccc6)ccn5c4Nc4ccc(C(=O)O)cc4)cc3)cc2)nc1
O=C(O)c1ccc(Nc2c(-c3ccc(CO/N=Cc4ccc(-c5cnccn5)cc4)cc3)nc3cc(-c4ccccc4)ccn23)cc1
O=C(O)c1ccc(Nc2c(-c3ccc(CO/N=C/c4ccc(-c5cnccn5)cc4)cc3)nc3cc(-c4ccccc4)ccn23)cc1
O=C(O)c1ccc(Nc2c(-c3ccc(CO/N=Cc4ccc(N5CCCC5=O)cc4)cc3)nc3cc(-c4ccccc4)ccn23)cc1
O=C(O)c1ccc(Nc2c(-c3ccc(CO/N=C/c4ccc(N5CCCC5=O)cc4)cc3)nc3cc(-c4ccccc4)ccn23)cc1
Cc1cncc(Oc2ccc(/C=NOCc3ccc(-c4nc5cc(-c6ccccc6)ccn5c4Nc4ccc(C(=O)O)cc4)cc3)cc2)n1
Cc1cncc(Oc2ccc(/C=N/OCc3ccc(-c4nc5cc(-c6ccccc6)ccn5c4Nc4ccc(C(=O)O)cc4)cc3)cc2)n1
O=C(O)c1ccc(Nc2c(-c3ccc(CO/N=Cc4ccc(-c5ccccc5)cc4)cc3)nc3cc(-c4ccccc4)ccn23)cc1
O=C(O)c1ccc(Nc2c(-c3ccc(CO/N=C/c4ccc(-c5ccccc5)cc4)cc3)nc3cc(-c4ccccc4)ccn23)cc1
O=C(O)c1ccc(NC2C(c3ccccc3)N=C3C=CC=CN32)cc1
O=C(O)c1ccc(Nc2c(-c3ccccc3)nc3cc(-c4ccccc4)ccn23)cc1
N#Cc1ccc(-c2ccc(/C=N/OCc3ccc(-c4nc5cc(-c6ccccc6)ccn5c4Nc4ccc(C(=O)O)cc4)cc3)cc2)nc1
N#Cc1ccc(-c2ccc(Cn3cc(-c4ccc5nc(-c6ccccc6)c(Nc6ccc(C(=O)O)cc6)n5c4)nn3)cc2)nc1
N#Cc1ccc(-c2ccc(Cn3cc(COc4ccc(-c5nc6ccccn6c5Nc5ccc(C(=O)O)cc5)cc4)nn3)cc2)nc1
N#Cc1ccc(-c2ccc(Cn3cc(COc4ccc(-c5nc6cc(-c7ccccc7)ccn6c5Nc5ccc(C(=O)O)cc5)cc4)nn3)cc2)nc1
N#Cc1ccc(-c2ccc(Cn3cc(-c4ccc(-c5nc6ccccn6c5Nc5ccc(C(=O)O)cc5)cc4)nn3)cc2)nc1
N#Cc1ccc(-c2ccc(Cn3cc(-c4ccc(-c5nc6cc(-c7ccccc7)ccn6c5Nc5ccc(C(=O)O)cc5)cc4)nn3)cc2)nc1
N=Cc1ccc(-c2ccc(COCCc3ccc(-c4nc5ccccn5c4Nc4ccc(C(=O)O)cc4)cc3)cc2)nc1
N#Cc1ccc(-c2ccc(COCCc3ccc(-c4nc5cc(-c6ccccc6)ccn5c4Nc4ccc(C(=O)O)cc4)cc3)cc2)nc1
N#Cc1ccc(-c2ccc(CO/N=C/c3ccc(-c4nc5cc(-c6ccccc6)ccn5c4Nc4ccc(C(=O)O)cc4)cc3)cc2)nc1
O=C(O)c1ccc(NC2C(c3ccccc3OS(=O)(=O)F)N=C3C=C(c4ccccc4)C=CN32)cc1
N#Cc1ccc(-c2ccc(CO/N=C/c3ccc(-c4nc5ccccn5c4Nc4ccc(C(=O)O)cc4)cc3)cc2)nc1
O=C(O)c1ccc(Nc2c(-c3ccc(OS(=O)(=O)F)cc3)nc3cc(-c4ccccc4)ccn23)cc1
O=C(O)c1ccc(Nc2c(-c3cccc(OS(=O)(=O)F)c3)nc3cc(-c4ccccc4)ccn23)cc1
O=C(O)c1ccc(N(c2c(-c3ccccc3OS(=O)(=O)F)nc3cc(-c4ccccc4)ccn23)S(=O)(=O)F)cc1
O=C(O)c1ccc(Nc2c(-c3ccccc3)nc3ccc(OS(=O)(=O)F)cn23)cc1
O=S(=O)(F)c1ccc(Nc2c(-c3ccccc3)nc3ccccn23)cc1
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCn2cc(COc3ccc(-c4nc5cc(-c6ccccc6)ccn5c4Nc4ccc(C(=O)O)cc4)cc3)nn2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCn2cc(COc3ccc(-c4nc5cc(-c6ccccc6)ccn5c4Nc4ccc(C(=O)O)cc4)cc3)nn2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCn2cc(COc3ccc(-c4nc5cc(-c6ccccc6)ccn5c4Nc4ccc(C(=O)O)cc4)cc3)nn2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCn2cc(-c3ccn4c(Nc5ccc(C(=O)O)cc5)c(-c5ccccc5)nc4c3)nn2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCn2cc(-c3ccn4c(Nc5ccc(C(=O)O)cc5)c(-c5ccccc5)nc4c3)nn2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCn2cc(-c3ccn4c(Nc5ccc(C(=O)O)cc5)c(-c5ccccc5)nc4c3)nn2)C(C)(C)C)cc1
O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCn1cc(-c2ccn3c(Nc4ccc(C(=O)O)cc4)c(-c4ccccc4)nc3c2)nn1
O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCn1cc(COc2ccc(-c3nc4cc(-c5ccccc5)ccn4c3Nc3ccc(C(=O)O)cc3)cc2)nn1
O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCn1cc(-c2ccc(-c3nc4cc(-c5ccccc5)ccn4c3Nc3ccc(C(=O)O)cc3)cc2)nn1
O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCn1cc(COc2ccc(-c3nc4ccccn4c3Nc3ccc(C(=O)O)cc3)cc2)nn1
O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCn1cc(-c2ccc(-c3nc4ccccn4c3Nc3ccc(C(=O)O)cc3)cc2)nn1
O=C1CCC(N2C(=O)c3cccc(NCCCCCCNCc4ccc(-c5nc6cc(-c7ccccc7)ccn6c5Nc5ccc(C(=O)O)cc5)cc4)c3C2=O)C(=O)N1
O=C1CCC(N2C(=O)c3cccc(OCCOCCOCc4cn(Cc5ccc(-c6nc7cc(-c8ccccc8)ccn7c6Nc6ccc(C(=O)O)cc6)cc5)nn4)c3C2=O)C(=O)N1
O=C1CCC(N2C(=O)c3cccc(NCc4cn(Cc5ccc(-c6nc7cc(-c8ccccc8)ccn7c6Nc6ccc(C(=O)O)cc6)cc5)nn4)c3C2=O)C(=O)N1
CN(Cc1cn(Cc2ccc(-c3nc4cc(-c5ccccc5)ccn4c3Nc3ccc(C(=O)O)cc3)cc2)nn1)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
O=C1CCC(N2C(=O)c3cccc(NCCc4cn(Cc5ccc(-c6nc7cc(-c8ccccc8)ccn7c6Nc6ccc(C(=O)O)cc6)cc5)nn4)c3C2=O)C(=O)N1
OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2ccc(I)cc2c1=O |r|
CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ccncc2c1=O
OCCNCCCn1c2-c3cc4OCOc4cc3C(=O)c2c2ccc(F)cc2c1=O
OCCNCCCn1c2-c3cc4OCOc4cc3C(=O)c2c2ccc(Cl)cc2c1=O
CC(=O)Nc1c2c(CC(=O)NC2=O)nn1-c1ccccc1
Nc1c2c(CC(=O)NC2=O)nn1-c1ccccc1
Nc1c2c(CC(=O)NC2=O)nn1-c1cccnc1
Nc1c2c(CC(=O)NC2=O)nn1-c1ccc(F)cc1
O=C1NC(=O)c2ccc(-c3ccco3)c3cccc1c23
Brc1ccc2C(=O)NC(=O)c3cccc1c23
O=c1[nH]c2cc(ccc2c(=O)[nH]1)-c1ccccc1
CCOC(=O)C1C(=O)NC(=O)c2ccc(Br)cc12
[O-][N+](=O)c1cccc(c1)C(=O)c1ccc2CC(=O)NC(=O)c2c1
[O-][N+](=O)c1cccc(c1)C(=O)c1ccc2C(=O)NC(=O)Cc2c1
O=C1Cc2cc(Cc3ccccc3)ccc2C(=O)N1
O=C1Cc2cc(ccc2C(=O)N1)-c1cnc2ccccc2c1
O=C1Cc2cc(ccc2C(=O)N1)-c1nc2ccccc2s1
O=C1Cc2cc(ccc2C(=O)N1)-c1cccc(c1)-c1ccccc1
FC(F)(F)c1ccc(cc1)-c1ccc2C(=O)NC(=O)Cc2c1
Fc1ccc(c(F)c1)-c1ccc2C(=O)NC(=O)Cc2c1
Fc1ccc(cc1Cl)-c1ccc2C(=O)NC(=O)Cc2c1
COc1ccc(cc1F)-c1ccc2C(=O)NC(=O)Cc2c1
COc1ccc(OC)c(c1)-c1ccc2C(=O)NC(=O)Cc2c1
COc1cccc(OC)c1-c1ccc2C(=O)NC(=O)Cc2c1
Brc1ccc(cc1)-c1ccc2CC(=O)NC(=O)c2c1
Brc1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
Clc1ccc(cc1)-c1ccc2C(=O)NC(=O)Cc2c1
Clc1cccc(c1)-c1ccc2CC(=O)NC(=O)c2c1
Clc1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
CC(=O)c1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
NC(=O)c1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
OC(=O)c1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
Ic1ccc2C(=O)NC(=O)Cc2c1
Brc1ccc2C(=O)NC(=O)Cc2c1
Brc1cccc2C(=O)NC(=O)Cc12
O=C1Cc2ccccc2C(=O)N1
O=C1Cc2cc(ccc2C(=O)N1)-c1ccco1
O=C1Cc2ccc(cc2C(=O)N1)-c1ccco1
OC(=O)c1ccc2CC(=O)NC(=O)c2c1
FC(F)(F)c1ccc2C(=O)NC(=O)Cc2c1
[O-][N+](=O)c1ccc2C(=O)NC(=O)Cc2c1
OC(=O)c1ccc2C(=O)NC(=O)Cc2c1
Ic1cccc2CC(=O)NC(=O)c12
Ic1ccc2CC(=O)NC(=O)c2c1
O=C1Cc2c(cccc2C(=O)N1)-c1ccco1
ON1C(=O)Cc2cc(ccc2C1=O)-c1ccco1
ON1C(=O)Cc2ccc(cc2C1=O)-c1ccco1
O=C1Cc2cc(ccc2C(=O)N1)-c1ccccc1
O=C1Cc2cc(ccc2C(=O)N1)-c1cccnc1
O=C1Cc2ccc(cc2C(=O)N1)-c1cccnc1
Oc1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
Oc1cccc(c1)-c1ccc2CC(=O)NC(=O)c2c1
Oc1cccc(c1)-c1cccc2CC(=O)NC(=O)c12
[O-][N+](=O)c1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
OC(=O)c1ccc(cc1)-c1ccc2C(=O)NC(=O)Cc2c1
OC(=O)c1ccccc1-c1ccc2C(=O)NC(=O)Cc2c1
C=CC(=O)Nc1cccc(c1)-c1ccc2CC(=O)NC(=O)c2c1
C=CC(=O)Nc1ccc(cc1)-c1ccc2C(=O)NC(=O)Cc2c1
CS(=O)(=O)Nc1ccc(cc1)-c1ccc2C(=O)NC(=O)Cc2c1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2CC(=O)NC(=O)c2c1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
Nc1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
Nc1ccc(cc1)-c1ccc2C(=O)NC(=O)Cc2c1
Nc1cccc(c1)-c1ccc2CC(=O)NC(=O)c2c1
[O-][N+](=O)c1cccc(c1)-c1cccc2C(=O)NC(=O)Cc12
[O-][N+](=O)c1cccc(c1)-c1cccc2CC(=O)NC(=O)c12
[O-][N+](=O)c1cccc(c1)-c1ccc2CC(=O)NC(=O)c2c1
Oc1ccc(cc1)-c1ccc2CC(=O)NC(=O)c2c1
O=C1c2ccccc2-c2c1c1cccnc1c(=O)n2CCCN1CCOCC1
O=C1c2ccccc2-c2c1c1cccnc1c(=O)n2CCCn1ccnc1
OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2ccncc2c1=O |r|
NCCCn1c2-c3ccccc3C(=O)c2c2ccncc2c1=O
OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2cnccc2c1=O |r|
NCCCn1c2-c3ccccc3C(=O)c2c2cnccc2c1=O
O=C1c2ccccc2-c2c1c1cnccc1c(=O)n2CCCn1ccnc1
CN(C)CCCn1c2-c3ccccc3C(=O)c2c2cnccc2c1=O
CN(C)CCCn1c2-c3ccccc3C(=O)c2c2cccnc2c1=O
OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2cccnc2c1=O |r|
NCCCn1c2-c3ccccc3C(=O)c2c2ncccc2c1=O
O=C1c2ccccc2-c2c1c1ccncc1c(=O)n2CCCn1ccnc1
O=C1c2ccccc2-c2c1c1cnccc1c(=O)n2CCCN1CCOCC1
NCCCn1c2-c3ccccc3C(=O)c2c2cccnc2c1=O
CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ncccc2c1=O
O=C1c2ccccc2-c2c1c1ccncc1c(=O)n2CCCN1CCOCC1
OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2ncccc2c1=O |r|
O=C1c2ccccc2-c2c1c1ncccc1c(=O)n2CCCN1CCOCC1
O=C1c2ccccc2-c2c1c1ncccc1c(=O)n2CCCn1ccnc1
OC(=O)C(CSSCC(NC(=O)Cc1ccccc1)C(O)=O)NC(=O)Cc1ccccc1
OC(=O)C(CSSCC(NC(=O)c1ccccc1)C(O)=O)NC(=O)c1ccccc1
OC(=O)C1=NN(C(=O)\C1=C/c1ccc(cc1)N(CCC#N)CCC#N)c1ccc(cc1)S(O)(=O)=O |t:3|
COc1ccc(CC2C(=O)N(N=C2C(O)=O)c2ccc(cc2)[N+]([O-])=O)cc1Oc1ccc(F)cc1 |c:11|
COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(ccc12)[N+]([O-])=O
COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(CCCNCCO)c(=O)c2cc1OC
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCN(CCO)CC2)c(=O)c2cc(ccc12)[N+]([O-])=O
COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc(ccc12)[N+]([O-])=O |t:19|
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCN(C)CC2)c(=O)c2cc(ccc12)[N+]([O-])=O
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCNCC2)c(=O)c2cc(ccc12)[N+]([O-])=O
COc1cnc-2c(c1)C(=O)c1c-2n(CCCNCCN2CCOCC2)c(=O)c2cc(ccc12)[N+]([O-])=O
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(ccc12)[N+]([O-])=O
CCNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
CNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
COc1cnc-2c(c1)C(=O)c1c-2n(CCCBr)c(=O)c2cc(ccc12)[N+]([O-])=O
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r|
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCC(N)CC2)c(=O)c2cc(ccc12)[N+]([O-])=O
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCC(O)CC2)c(=O)c2cc(Cl)ccc12
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(Cl)ccc12
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(F)ccc12
COc1cnc-2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(F)ccc12
COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc(Cl)ccc12 |t:19|
COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc(F)ccc12 |t:19|
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCNCC2)c(=O)c2cc(Cl)ccc12
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCNCC2)c(=O)c2cc(F)ccc12
COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(Cl)ccc12
CNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(Cl)cc2c1=O
CNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(F)cc2c1=O
CCNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(Cl)cc2c1=O
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(Cl)ccc12
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(F)ccc12
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCN(C)CC2)c(=O)c2cc(F)ccc12
COc1cnc-2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(Cl)ccc12
COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCC(O)CC2)c(=O)c2cc(F)ccc12
COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(F)ccc12
CCNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(F)cc2c1=O
OC1=NC(=S)C(S1)=Cc1ccc(O)c(O)c1O |w:7.8,t:1|
Cn1nc(nc2c1nc(=O)n(C)c2=O)C1CCOCC1
Cn1nc(nc2c1nc(=O)n(C)c2=O)C1CCCCC1
Cn1nc(nc2c1nc(=O)n(C)c2=O)C1CCCC1
Cn1nc(nc2c1nc(=O)n(C)c2=O)C1CC1
Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
CCc1ccc(cc1)-c1nn(C)c2nc(=O)n(Cc3ccccc3)c(=O)c2n1
CCc1ccc(cc1)-c1nn(C)c2nc(=O)n(-c3ccccc3)c(=O)c2n1
CCc1ccc(cc1)-c1nn(C)c2nc(=O)[nH]c(=O)c2n1
CCc1ccc(cc1)-c1nn(Cc2ccccc2)c2nc(=O)n(C)c(=O)c2n1
CCc1ccc(cc1)-c1nn(-c2ccccc2)c2nc(=O)n(C)c(=O)c2n1
CCc1ccc(cc1)-c1nn(CC2CC2)c2nc(=O)n(C)c(=O)c2n1
CCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(CC)cc1
CCc1ccc(cc1)-c1nn(C2CC2)c2nc(=O)n(C)c(=O)c2n1
CCc1ccc(cc1)-c1nn(CC)c2nc(=O)n(C)c(=O)c2n1
Cc1ccccc1-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Cc1cccc(c1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Cc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC(F)(F)F)cc1
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)C(F)(F)F
CCc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C)c2cc1C=O
CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O |c:5|
O=c1nc2n(-c3cccc(c3)-c3nnn[nH]3)c3cc(ccc3cc2c(=O)[nH]1)C#N
O=c1nc2n(-c3cccc4[nH]ncc34)c3cc(ccc3cc2c(=O)[nH]1)C#N |(2.87,-6.9,;4.21,-6.12,;5.54,-6.89,;6.87,-6.12,;8.2,-6.89,;8.2,-8.43,;6.86,-9.18,;6.86,-10.72,;8.19,-11.49,;9.53,-10.71,;10.99,-11.18,;11.88,-9.94,;10.97,-8.71,;9.52,-9.19,;9.54,-6.12,;10.87,-6.89,;12.21,-6.12,;12.21,-4.58,;10.87,-3.8,;9.54,-4.58,;8.2,-3.8,;6.87,-4.58,;5.54,-3.8,;5.54,-2.26,;4.21,-4.58,;13.54,-6.89,;14.88,-7.67,)|
O=c1nc2n(-c3ccc4cn[nH]c4c3)c3cc(ccc3cc2c(=O)[nH]1)C#N
CS(=O)(=O)Nc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Brc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
COc1ccc(cc1O)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
FC(F)(F)c1ccc2cc3c(nc(=O)[nH]c3=O)n(-c3ccccc3)c2c1
Oc1ccccc1-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O |(39.96,-41.85,;38.63,-42.63,;38.63,-44.16,;37.3,-44.93,;35.97,-44.16,;35.98,-42.63,;37.31,-41.87,;37.31,-40.33,;38.64,-39.57,;39.97,-40.34,;41.31,-39.57,;42.65,-40.34,;41.31,-38.03,;39.97,-37.25,;38.64,-38.03,;37.31,-37.25,;35.98,-38.03,;35.98,-39.57,;34.65,-40.33,;33.32,-39.57,;31.99,-40.34,;33.32,-38.03,;34.65,-37.25,;34.65,-35.71,)|
Oc1cccc(c1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O
COc1ccc(cc1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O
Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(C3CCNCC3)c2c1
Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(C3CCCCC3)c2c1
Cn1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O
Cc1ccc(cc1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O
Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(Cc3ccccc3)c2c1
Cn1c2ccccc2cc2c1nc(=O)[nH]c2=O
COc1ccc(cc1OC)-c1csc(NC(=O)Nc2ccccc2)c1
COc1ccc(cc1OC)-c1csc(NC(=O)c2c(C)cc(=O)oc2C)c1
COc1ccc(cc1OC)-c1csc(NC(=O)c2snnc2C)c1
COc1ccc(cc1OC)-c1csc(NC(=O)c2ccn(C)n2)c1
COc1ccc(cc1OC)-c1csc(NC(=O)c2cc(C)no2)c1
COc1ccc(cc1OC)-c1csc(NC(=O)c2nccn2C)c1
COc1ccc(cc1OC)-c1csc(NC(=O)c2ncc[nH]2)c1
COc1ccc(cc1OC)-c1csc(NC(=O)c2ccccc2)c1
COc1ccc(cc1OC)-c1csc(NC(=O)c2c(C)noc2C)c1
NS(=O)(=O)c1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
CS(=O)(=O)Nc1cccc(c1)-n1c2ccc(Cl)cc2cc2c1nc(=O)[nH]c2=O
CS(=O)(=O)Nc1cccc(c1)-n1c2ccccc2cc2c1nc(=O)[nH]c2=O
NC(=O)Cc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Nc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Fc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
COc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
COc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
OCc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(C3CC3)c2c1
Clc1cccc2n(-c3ccccc3)c3nc(=O)[nH]c(=O)c3cc12
Clc1ccc2n(-c3ccccc3)c3nc(=O)[nH]c(=O)c3cc2c1
Clc1cccc2cc3c(nc(=O)[nH]c3=O)n(-c3ccccc3)c12
Cn1c(=O)nc2n(-c3ccccc3)c3cc(Cl)ccc3cc2c1=O
Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(-c3ccccc3)c2c1
COc1ccc(cc1OC)-c1csc(c1)-c1ccc(cc1)C(=O)NS(C)(=O)=O
COc1ccc(cc1OC)-c1csc(c1)-c1cccc(c1)C(=O)NS(C)(=O)=O
COc1ccc(cc1OC)-c1csc(c1)C(=O)N1CCCC(C1)C(=O)P(=O)(OC)OC
COc1ccc(cc1OC)-c1csc(NC(=O)c2ncn(C)c(=O)c2OCc2ccccc2)c1
CC1CN(C)c2nc(N)[nH]c(=O)c2N1
Cc1csc(c1)-c1nn(C)c2nc(N)nc(=O)c2n1
CCc1ccc(cc1)-c1cnc2n(C)c(=O)n(C)c(=O)c2n1
CCc1ccc(cc1)-c1cc2c(nc(=O)n(C)c2=O)n(CC)n1
CCc1ccc(cc1)-c1nnc2[nH]c(=O)n(C)c(=O)c2n1
COc1ccc(cc1OC)-c1csc(c1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1cc(cs1)-c1ccccc1
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1cc(Br)cs1
Cc1csc(c1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1cscn1
COc1ccc(cc1OC)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2ccccc2c1
Cn1nc(CCc2ccccc2)nc2c1nc(=O)n(C)c2=O
Cn1nc(Cc2ccccc2)nc2c1nc(=O)n(C)c2=O
Cc1oc2c(c1C(=O)Oc1cccc(c1)-c1cn(CCCO)nn1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Nc1cccc(Cl)c1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OC[C@H](O)CO)C(=O)c1ncccc1C2=O |r|
Cc1oc2c(c1C(=O)Oc1cccc(c1)C#N)C(=O)c1ncccc1C2=O
COC(=O)[C@H](Cc1ccc(OC(=O)c2c(C)oc3c2C(=O)c2ncccc2C3=O)cc1)NC(C)=O |r|
Cc1oc2c(c1-c1nc3ccccc3o1)C(=O)c1ncccc1C2=O
CCOC(=O)c1n[nH]c2c1C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OCC(O)=O)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OCCc1ccccc1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OCCCCCO)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OCCC#N)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccccc1Cl)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccccc1C#N)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OCCC#C)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OCCc1cn(CCCO)nn1)C(=O)c1ncccc1C2=O
CCOC(=O)c1noc2c1C(=O)c1cccnc1C2=O
Cc1oc2c(c1C(=O)Oc1ccc(Br)cc1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1cccc(N)c1)C(=O)c1ncccc1C2=O
CCOC(=O)c1c(C)oc2c1C(=O)c1cccnc1C2=O
Cc1oc2c(c1C(=O)OCCCCO)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccc(Cl)cc1)C(=O)c1ncccc1C2=O
COC(=O)c1sccc1OC(=O)c1c(C)oc2c1C(=O)c1ncccc1C2=O
COC(=O)c1c(C)oc2c1C(=O)c1ncccc1C2=O
CCNC(=O)c1c(C)oc2c1C(=O)c1cccnc1C2=O
CC(=O)c1c(C)oc2c1C(=O)c1ncccc1C2=O
CC(=O)c1c(C)oc2c1C(=O)c1cccnc1C2=O
COP(=O)(OC)c1c(C)oc2c1C(=O)c1cccnc1C2=O
Cc1oc2c(c1C(=O)Nc1ccccc1)C(=O)c1ncccc1C2=O
COc1ccc(NC(=O)c2c(C)oc3c2C(=O)c2ncccc2C3=O)cc1
Cc1oc2c(c1C(=O)OCC(F)(F)F)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OCCO)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OCCOCCO)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OCC(O)CO)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccccc1)C(=O)c1ncccc1C2=O
COP(=O)(OC)Oc1ccc(OC(=O)c2c(C)oc3c2C(=O)c2ncccc2C3=O)cc1
Cc1oc2c(c1C(=O)Oc1cccc(O)c1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1cccc(Cl)c1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccc(cc1)C#N)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccc(cc1)[N+]([O-])=O)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1cccnc1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccc(NC(=O)C=C)cc1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccc(OCCCN3CCOCC3)cc1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccc3OCOc3c1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccccc1NC(=O)OC(C)(C)C)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1cccc(c1)C#C)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OCCC[n+]1ccccc1)C(=O)c1ncccc1C2=O
CN(C)c1cc[n+](CCCOC(=O)c2c(C)oc3c2C(=O)c2ncccc2C3=O)cc1
Cc1oc2c(c1C(=O)Oc1ccc(N)cc1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OCCc1cn(CCC(O)=O)nn1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1cccc(c1)-c1cn(CCC(O)=O)nn1)C(=O)c1ncccc1C2=O
CCOC(=O)c1c(C)[nH]c2c1C(=O)c1cccnc1C2=O
CCOC(=O)c1c(C)n(C)c2c1C(=O)c1cccnc1C2=O
CCOC(=O)c1noc2c1C(=O)c1ncccc1C2=O
CCOC(=O)c1n[nH]c2c1C(=O)c1cccnc1C2=O
CCOC(=O)c1c(C)oc2c1C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OCCCO)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)OC[C@@H](O)CO)C(=O)c1ncccc1C2=O |r|
COP(=O)(CCOC(=O)c1c(C)oc2c1C(=O)c1ncccc1C2=O)OC
Cc1oc2c(c1C(=O)Oc1ccccc1O)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccc(cc1)S(C)(=O)=O)C(=O)c1ncccc1C2=O
CC(=O)N1CCN(CC1)c1ccc(OC(=O)c2c(C)oc3c2C(=O)c2ncccc2C3=O)cc1
Cc1oc2c(c1C(=O)Oc1cccc(c1)-c1cn(CCC([O-])=O)nn1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Nc1ccccc1O)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccccc1O)C(=O)c1cccnc1C2=O
Cc1oc2c(c1C(=O)Oc1ccc3ccccc3c1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Nc1cccc(Cl)c1)C(=O)c1cccnc1C2=O
COP(=O)(OC)c1c(C)oc2c1C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1cccc(NC(=O)C=C)c1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccc(cc1)C(=O)c1ccccc1)C(=O)c1ncccc1C2=O
Cc1oc2c(c1C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)c1ncccc1C2=O
CCNC(=O)c1c(C)oc2c1C(=O)c1ncccc1C2=O
Cc1coc2c1C(=O)c1ncc(C)cc1C2=O
COc1ccc(cc1)C(=O)Nc1nc2cc(ccn2n1)-c1ccccc1
Oc1ccc(cc1)-c1ccn2nc(NC(=O)c3cccc(Cl)c3)nc2c1
NC1=CC(N)=C2C=CC(=O)N=C2C1=O |c:6,10,t:1,4|
Clc1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1cccs1
O=C(Nc1nc2nc(ccn2n1)-c1ccccc1)c1cccc(c1)C#N
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2nccc(-c3ccccc3)n2n1
O=C(Nc1nc2nccc(-c3ccccc3)n2n1)c1ccccc1
O=C(Nc1nc2nc(ccn2n1)-c1ccccc1)c1ccccc1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc2nc(ccn2n1)-c1ccccc1
FC(F)(F)c1cccc(c1)C(=O)Nc1nc2nc(ccn2n1)-c1ccccc1
COc1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1ccccc1
Fc1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1ccccc1
O=C(Nc1nc2cc(ccn2n1)-c1ccccc1)c1cccnc1
O=C(Nc1nc2cc(ccn2n1)-c1ccccc1)c1ccncc1
Fc1ccc(cc1F)C(=O)Nc1nc2cc(ccn2n1)-c1ccccc1
Clc1ccc(cc1)C(=O)Nc1nc2cc(ccn2n1)-c1ccccc1
Clc1ccccc1C(=O)Nc1nc2cc(ccn2n1)-c1ccccc1
Fc1ccc(C(=O)Nc2nc3cc(ccn3n2)-c2ccccc2)c(Cl)c1
FC(F)(F)c1ccc(cc1)-c1ccn2nc(NC(=O)c3cccc(Cl)c3)nc2c1
COc1ccc(cc1)-c1ccn2nc(NC(=O)c3cccc(Cl)c3)nc2c1
Clc1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1cccc(Cl)c1
COc1ccc2nc(Nc3nc(=O)c(C)c(C)[nH]3)nc(C)c2c1
Clc1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1cncnc1
Clc1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1cnc2ccccc2c1
Clc1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1ccncc1
CC(=O)c1cccc(c1)-c1ccn2nc(NC(=O)c3cccc(Cl)c3)nc2c1
CS(=O)(=O)c1cccc(c1)-c1ccn2nc(NC(=O)c3cccc(Cl)c3)nc2c1
Clc1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1cccnc1
Clc1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1ccccc1Cl
FC(F)(F)c1cccc(c1)-c1ccn2nc(NC(=O)c3cccc(Cl)c3)nc2c1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc2nccc(-c3ccccc3)n2n1
CN(C)c1ccc(cc1)C(=O)Nc1nc2cc(ccn2n1)-c1ccccc1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccc(cn2n1)-c1ccccc1
Clc1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1ccoc1
Cc1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1ccccc1
Cc1ccc(cc1C)-c1nn2c(nnc2s1)-c1ccco1
COc1ccccc1-c1ccn2nc(NC(=O)c3cccc(Cl)c3)nc2c1
COc1cccc(c1)-c1ccn2nc(NC(=O)c3cccc(Cl)c3)nc2c1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2nc(ccn2n1)-c1ccccc1
Brc1cccc(c1)C(=O)Nc1nc2nc(ccn2n1)-c1ccccc1
Clc1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1ccccc1
O=C(Nc1nc2cc(ccn2n1)-c1ccccc1)c1ccco1
Clc1cc(Cl)cc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1ccccc1
Fc1ccc(cc1)-c1ccn2nc(NC(=O)c3cccc(Cl)c3)nc2c1
Clc1cccc(CNc2nc3cc(ccn3n2)-c2ccccc2)c1
OC(=O)c1cccc(c1)-c1ccn2nc(NC(=O)c3cccc(Cl)c3)nc2c1
Clc1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1ccco1
Clc1ccc(cc1)-c1ccn2nc(NC(=O)c3cccc(Cl)c3)nc2c1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2cc(ccn2n1)-c1ccccc1
Clc1cccc(c1)S(=O)(=O)Nc1nc2cc(ccn2n1)-c1ccccc1
Clc1ccc(COc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)cc1
O=c1nc2n(-c3cccc(OCc4ccccc4)c3)c3cc(ccc3cc2c(=O)[nH]1)C#N
COC(=O)c1cccc(c1)-n1c(=O)nc2n(-c3ccc(O)cc3)c3cc(ccc3cc2c1=O)C#N
FC(F)Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Cn1c(=O)nc2n(-c3ccc(O)cc3)c3cc(ccc3cc2c1=O)C#N
O=c1nc2n(-c3ccc(OCc4ccccc4)cc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Brc1ccc(COc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)cc1
COC(=O)c1cccc(COc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)c1
Clc1ccc(Oc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)cc1
Fc1ccc(Oc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)cc1
OC(=O)c1cccc(Oc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)c1
Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccccc1)c2=O)C#N
Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(F)cc1)c2=O)C#N
Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N
Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1cccc(Cl)c1)c2=O)C#N
Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)c(Cl)c1)c2=O)C#N
CS(=O)(=O)Nc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N
Clc1ccc(cc1)-n1c(=O)nc2n(-c3ccccc3)c3cc(ccc3cc2c1=O)C#N
O=c1nc2n(-c3ccc4OCOc4c3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Clc1cccc(COc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)c1
COC(=O)c1cccc(Oc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)c1
Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N
NC(=O)c1cccc(c1)-n1c(=O)nc2n(-c3ccc(O)cc3)c3cc(ccc3cc2c1=O)C#N
CS(=O)(=O)Nc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N
FC(F)(F)Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Br)cc1)c2=O)C#N
OC(=O)c1cccc(COc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)c1
O=c1nc2n(-c3cccc(Oc4ccccc4)c3)c3cc(ccc3cc2c(=O)[nH]1)C#N
O=c1nc2n(-c3ccc(Oc4ccccc4)cc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
FC1(F)Oc2ccc(cc2O1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
[O-][V](=O)([O-])[O-]
OC(=O)c1ccc(cc1)-c1ccc(\C=C2\NC(=O)N(Cc3ccccc3F)C2=O)o1
CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
CC(C)[C@H]1C2=C(Oc3c1c(O)c(C(=O)C(C)C)c1OC4=C([C@@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,20|
CC(C)[C@H]1C2=C(Oc3c1c(O)c(C(=O)C(C)C)c1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,20|
CC(C)[C@@H]1C2=C(Oc3c1c(O)c(C(=O)C(C)C)c1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,20|
CC(C)[C@@H]1C2=C(Oc3c1c(O)c(C(=O)C(C)C)c1OC4=C([C@@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,20|
COc1c2[C@@H](C(C)C)C3=C(Oc2c2[C@H](C(C)C)C4=C(Oc2c1C(=O)C(C)C)C(C)(C)C(=O)C(C)(C)C4=O)C(C)(C)C(=O)C(C)(C)C3=O |r,c:8,18|
COc1c2[C@@H](C(C)C)C3=C(Oc2c2[C@@H](C(C)C)C4=C(Oc2c1C(=O)C(C)C)C(C)(C)C(=O)C(C)(C)C4=O)C(C)(C)C(=O)C(C)(C)C3=O |r,c:8,18|
COc1cc(O)c2[C@@H](C(C)C)C3=C(Oc2c1C(=O)C(C)C)C(C)(C)C(=O)C(C)(C)C3=O |r,c:11|
COc1cc(O)c2[C@H](C(C)C)C3=C(Oc2c1C(=O)C(C)C)C(C)(C)C(=O)C(C)(C)C3=O |r,c:11|
CC(C)C1C2=C(Oc3c1c(O)cc1OC4=C(C(C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |c:4,15|
CC(C)[C@@H]1C2=C(Oc3c1c(O)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,15|
CC(C)[C@H]1C2=C(Oc3c1c(O)cc1OC4=C([C@@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,15|
CC(C)[C@H]1C2=C(Oc3c1c(O)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,15|
CC(C)[C@@H]1C2=C(Oc3c1c(O)cc1OC4=C([C@@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,15|
CCOc1cc2OC3=C([C@H](C(C)C)c2c2OC4=C([C@@H](C(C)C)c12)C(=O)C(C)(C)C(=O)C4(C)C)C(=O)C(C)(C)C(=O)C3(C)C |r,c:7,17|
CC(C)Oc1cc2OC3=C([C@H](C(C)C)c2c2OC4=C([C@@H](C(C)C)c12)C(=O)C(C)(C)C(=O)C4(C)C)C(=O)C(C)(C)C(=O)C3(C)C |r,c:8,18|
CC(C)[C@@H]1C2=C(Oc3c1c(OCC1CC1)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,20|
CC(C)CCOc1cc2OC3=C([C@H](C(C)C)c2c2OC4=C([C@@H](C(C)C)c12)C(=O)C(C)(C)C(=O)C4(C)C)C(=O)C(C)(C)C(=O)C3(C)C |r,c:10,20|
CC(C)[C@@H]1C2=C(Oc3c1c(OCc1ccccc1)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,23|
CC(C)[C@@H]1C2=C(Oc3c1c(OCc1ccc(C)cc1)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,24|
COc1ccc(COc2cc3OC4=C([C@H](C(C)C)c3c3OC5=C([C@@H](C(C)C)c23)C(=O)C(C)(C)C(=O)C5(C)C)C(=O)C(C)(C)C(=O)C4(C)C)cc1 |r,c:12,22|
CC(C)[C@@H]1C2=C(Oc3c1c(OCCCc1ccccc1)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,25|
CCOC(CCCOc1cc2OC3=C([C@H](C(C)C)c2c2OC4=C([C@@H](C(C)C)c12)C(=O)C(C)(C)C(=O)C4(C)C)C(=O)C(C)(C)C(=O)C3(C)C)OCC |r,c:12,22|
CC(C)[C@@H]1C2=C(Oc3c1c(OCCC1OCCO1)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,23|
CC(C)[C@@H]1C2=C(Oc3c1c(OCCN(C)C)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,20|
CC(C)[C@@H]1C2=C(Oc3c1c(OCCCN(C)C)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,21|
CC(C)[C@@H]1C2=C(Oc3c1c(OCC(=O)N(C)C)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,21|
CC(COc1cc2OC3=C([C@H](C(C)C)c2c2OC4=C([C@@H](C(C)C)c12)C(=O)C(C)(C)C(=O)C4(C)C)C(=O)C(C)(C)C(=O)C3(C)C)CN(C)C |r,c:8,18|
CCN(CC)CCOc1cc2OC3=C([C@H](C(C)C)c2c2OC4=C([C@@H](C(C)C)c12)C(=O)C(C)(C)C(=O)C4(C)C)C(=O)C(C)(C)C(=O)C3(C)C |r,c:12,22|
CCN(CC)CCCOc1cc2OC3=C([C@H](C(C)C)c2c2OC4=C([C@@H](C(C)C)c12)C(=O)C(C)(C)C(=O)C4(C)C)C(=O)C(C)(C)C(=O)C3(C)C |r,c:13,23|
CC(C)[C@@H]1C2=C(Oc3c1c(OCCN1CCCC1)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,23|
CC(C)[C@@H]1C2=C(Oc3c1c(OCCCN1CCCC1)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,24|
CC(C)[C@@H]1C2=C(Oc3c1c(OCCN1CCOCC1)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,24|
CC(C)[C@@H]1C2=C(Oc3c1c(OCCCN1CCOCC1)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,25|
CC(C)[C@@H]1C2=C(Oc3c1c(OCCCN1CCN(C)CC1)cc1OC4=C([C@H](C(C)C)c31)C(=O)C(C)(C)C(=O)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4,26|