SMILES for DNA-(apurinic or apyrimidinic site) endonuclease

CC(=O)Nc1sc2CNCCc2c1-c1cccc2ccccc12 |(3.87,2.56,;2.33,2.58,;1.58,3.93,;1.54,1.26,;-0,1.29,;-1.25,2.2,;-2.51,1.29,;-4.01,1.61,;-5.05,.47,;-4.58,-1.01,;-3.06,-1.33,;-2.03,-.18,;-.48,-.18,;.47,-1.24,;-.33,-2.56,;.42,-3.91,;1.96,-3.93,;2.75,-2.59,;4.28,-2.61,;5.05,-1.29,;4.29,.05,;2.77,.06,;1.99,-1.26,)|

BDBM50388239

CC(=O)Nc1sc2CNCCc2c1-c1csc2ccccc12 |(4.46,3.56,;2.92,3.59,;2.17,4.94,;2.13,2.27,;.59,2.29,;-.66,3.2,;-1.91,2.3,;-3.42,2.62,;-4.46,1.47,;-3.98,0,;-2.47,-.33,;-1.44,.82,;.11,.82,;1.02,-.42,;2.56,-.42,;3.04,-1.88,;1.79,-2.79,;1.63,-4.31,;.24,-4.94,;-1.01,-4.03,;-.85,-2.51,;.55,-1.88,)|

BDBM50388236

CC(=O)Nc1sc2CNCCc2c1-c1nc2ccccc2s1

BDBM114652

CC(=O)Nc1sc2CNCc2c1-c1nc2ccccc2s1

BDBM50388259

CC(=O)Nc1sc2cnccc2c1-c1nc2ccccc2s1

BDBM50388243

CC(C)(C)C(=O)Nc1sc2CNCCc2c1-c1nc2ccccc2s1

BDBM50453747

CC(C)(C)c1ccc(OC(=O)c2sc3ccccc3c2Cl)c(c1)C(C)(C)C

BDBM50453737

CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)-c1ccc(Oc2c(Cl)cccc2[N+]([O-])=O)cc1

BDBM114960

CC(C)N1CCCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1

BDBM50388250

CC(C)N1CCc2c(C1)sc(NC(=O)C(F)F)c2-c1nc2ccccc2s1

BDBM50388251

CC(C)N1CCc2c(C1)sc(NC(=O)C1CCCCC1)c2-c1nc2ccccc2s1

BDBM50388242

CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc(cs1)-c1ccccc1

BDBM50388241

CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2o1

BDBM46793

CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1

BDBM114651

CC(C)N1CCc2sc(NC(C)=O)c(-c3nc4ccccc4s3)c2CC1

BDBM114649

CC(C)N1Cc2sc(NC(C)=O)c(-c3nc4ccccc4s3)c2C1

BDBM26583

CC(CSCc1cc(oc1C)C(O)=O)C(O)=O

BDBM92729

CC(N=Nc1cc(C)nc2cc3OCOc3cc12)c1cn(C)n(-c2ccccc2)c1=O |w:3.3|

BDBM92735

CC(N=Nc1cc(C)nc2ccc(C)cc12)c1cn(C)n(-c2ccccc2)c1=O |w:3.3|

BDBM26587

CC(Oc1cc(OC(C)C(O)=O)c2c(c1)oc(=O)c1ccccc21)C(O)=O

BDBM26614

CC1=C\C(C=CC1=O)=C(\c1ccc(O)c(C)c1)c1ccccc1C(O)=O |c:4,t:1|

BDBM50241313

CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O |r|

BDBM50438888

CC1CN(C)c2nc(N)[nH]c(=O)c2N1

BDBM50303958

CCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(O)=O |w:5.5,c:6,t:13|

BDBM50388252

CCCCC(=O)Nc1sc2CN(CCc2c1-c1nc2ccccc2s1)C(C)C

BDBM50303961

CCCCCCCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)NCCO |w:10.10,c:11,t:18|

BDBM119124

CCCCCCCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)NOC |w:10.10,c:11,t:18|

BDBM50303955

CCCCCCCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(O)=O |w:10.10,c:11,t:18|

BDBM50453749

CCCCCCCCC\C(=C/C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)NOC |c:11,t:18|

BDBM34905

CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1

BDBM50438905

CCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(CC)cc1

BDBM50030282

CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12

BDBM50066721

CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12

BDBM26622

CCOC(=O)CCCc1ccc(cc1)[Sb](O)(O)=O

BDBM50453743

CCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2/C(C)=NN(C2=O)c2ccc(cc2)C(O)=O)o1 |c:20|

BDBM50438892

CCc1ccc(cc1)-c1cc2c(nc(=O)n(C)c2=O)n(CC)n1

BDBM50438891

CCc1ccc(cc1)-c1cnc2n(C)c(=O)n(C)c(=O)c2n1

BDBM50438903

CCc1ccc(cc1)-c1nn(-c2ccccc2)c2nc(=O)n(C)c(=O)c2n1

BDBM50438901

CCc1ccc(cc1)-c1nn(C)c2nc(=O)[nH]c(=O)c2n1

BDBM50438900

CCc1ccc(cc1)-c1nn(C)c2nc(=O)n(-c3ccccc3)c(=O)c2n1

BDBM50438913

CCc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1

BDBM50438899

CCc1ccc(cc1)-c1nn(C)c2nc(=O)n(Cc3ccccc3)c(=O)c2n1

BDBM50438906

CCc1ccc(cc1)-c1nn(C2CC2)c2nc(=O)n(C)c(=O)c2n1

BDBM50438907

CCc1ccc(cc1)-c1nn(CC)c2nc(=O)n(C)c(=O)c2n1

BDBM50438904

CCc1ccc(cc1)-c1nn(CC2CC2)c2nc(=O)n(C)c(=O)c2n1

BDBM50438902

CCc1ccc(cc1)-c1nn(Cc2ccccc2)c2nc(=O)n(C)c(=O)c2n1

BDBM50438893

CCc1ccc(cc1)-c1nnc2[nH]c(=O)n(C)c(=O)c2n1

BDBM92732

CCn1c2ccccc2c2cc(CN=Nc3cc(C)nc4cc5OCOc5cc34)ccc12 |w:14.15|

BDBM318446

CCn1c2ccccc2c2cc(\C=N\Nc3cc(C)nc4cc5OCOc5cc34)ccc12

BDBM81347

CN(N=O)c1ccc(O)c(O)c1

BDBM114653

CN1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1

BDBM50388247

COC(=O)Nc1sc2CNCCc2c1-c1nc2ccccc2s1

BDBM50388254

COC(=O)c1sc2CNCCc2c1-c1nc2ccccc2s1

BDBM50303957

COC1=C(OC)C(=O)C(C=C(C)C(O)=O)=C(C)C1=O |w:9.8,c:2,t:14|

BDBM50303956

COC1=C(OC)C(=O)C(C=CC(O)=O)=C(C)C1=O |w:9.8,c:2,t:13|

BDBM50303959

COC1=C(OC)C(=O)C(\C=C(/C)C(O)=O)=C(Cl)C1=O |c:2,t:14|

BDBM50303964

COC1=C(\C=C(/C)C(O)=O)C(=O)c2ccccc2C1=O |c:2|

BDBM50303960

COCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(O)=O |w:5.5,c:6,t:13|

BDBM50303970

COCCC(=CC1=C(C)C(=O)c2ccccc2C1=O)C(O)=O |w:5.5,c:6|

BDBM50303972

COCC\C(=C/C1=C(Br)C(=O)c2ccccc2C1=O)C(O)=O |c:6|

BDBM50303971

COCC\C(=C/C1=C(Cl)C(=O)c2ccccc2C1=O)C(O)=O |c:6|

BDBM50453731

COc1c(cccc1C(=O)NCc1ccc(Cl)c(Cl)c1)C(O)=O

BDBM50453748

COc1c(cccc1C(=O)NCc1cccc(Cl)c1)C(O)=O

BDBM50579

COc1cc2c(ccc3cc(OC)c(OC)c(O)c23)cc1O

BDBM92739

COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3cc4OCOc4cc23)c(OC)c1 |t:7|

BDBM50453745

COc1ccc(CNC(=O)c2cccc(C(O)=O)c2OC)cc1OC

BDBM50438869

COc1ccc(cc1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O

BDBM50438860

COc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N

BDBM318452

COc1ccc(cc1)C(\Cc1ccccc1)=N/Nc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O

BDBM92738

COc1ccc(cc1)[C-](Cc1ccccc1)\N=[NH+]\c1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O

BDBM50438859

COc1ccc(cc1O)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N

BDBM50438887

COc1ccc(cc1OC)-c1csc(NC(=O)c2ncn(C)c(=O)c2OCc2ccccc2)c1

BDBM50438884

COc1ccc(cc1OC)-c1csc(c1)-c1ccc(cc1)C(=O)NS(C)(=O)=O

BDBM50438885

COc1ccc(cc1OC)-c1csc(c1)-c1cccc(c1)C(=O)NS(C)(=O)=O

BDBM50438894

COc1ccc(cc1OC)-c1csc(c1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1

BDBM50438886

COc1ccc(cc1OC)-c1csc(c1)C(=O)N1CCCC(C1)C(=O)P(=O)(OC)OC

BDBM50438918

COc1ccc(cc1OC)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1

BDBM92730

COc1cccc(CN=Nc2cc(C)nc3cc4OCOc4cc23)c1 |w:9.9|

BDBM50453741

COc1cccc(CNC(=O)c2cccc(C(O)=O)c2OC)c1

BDBM318444

COc1cccc(\C=N\Nc2cc(C)nc3cc4OCOc4cc23)c1

BDBM50438861

COc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N

BDBM50438854

CS(=O)(=O)Nc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N

BDBM50438852

CS(=O)(=O)Nc1cccc(c1)-n1c2ccc(Cl)cc2cc2c1nc(=O)[nH]c2=O

BDBM50438853

CS(=O)(=O)Nc1cccc(c1)-n1c2ccccc2cc2c1nc(=O)[nH]c2=O

BDBM50303965

CSC1=C(\C=C(/C)C(O)=O)C(=O)c2ccccc2C1=O |c:2|

BDBM50530035

C[C@H]1\C=C\CC(=O)NCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|

BDBM50530034

C[C@H]1\C=C\CC(=O)NCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|

BDBM50530032

C[C@H]1\C=C\CC(=O)NCCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|

BDBM50530050

C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccccc1)c1ccc(Cl)cc1 |r,t:2|

BDBM50530045

C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccccc1)c1ccc(F)cc1 |r,t:2|

BDBM50530031

C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccccc1)c1ccc(cc1)C(F)(F)F |r,t:2|

BDBM50530038

C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 |r,t:2|

BDBM50530039

C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 |r,t:2|

BDBM50530049

C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 |r,t:2|

BDBM50530037

C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(F)(F)F |r,t:2|

BDBM50530030

C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1cccc(c1)C(F)(F)F |r,t:2|

BDBM50530036

C[C@H]1\C=C\CC(=O)N[C@@H](CCc2ccccc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|

BDBM50530048

C[C@H]1\C=C\CC(=O)N[C@H](CCc2ccccc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|

BDBM50530040

C[C@H]1\C=C\CC(=O)N[C@H](Cc2ccc(Cl)cc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|

BDBM50530029

C[C@H]1\C=C\CC(=O)OCCC(Oc2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|

BDBM50530043

C[C@H]1\C=C\CC(=O)OCCC(Oc2ccc3OCOc3c2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccccc1 |r,t:2|

BDBM50530041

C[C@H]1\C=C\CC(=O)OCCC(Oc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|

BDBM50530042

C[C@H]1\C=C\CC(=O)OCCC(c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|

BDBM50530033

C[C@H]1\C=C\CC(=O)OCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccccc1 |r,t:2|

BDBM50530047

C[C@H]1\C=C\CC(=O)OCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|

BDBM50530044

C[C@H]1\C=C\CC(=O)OCCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccccc1 |r,t:2|

BDBM50530046

C[C@H]1\C=C\CC(=O)OCCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|

BDBM50303969

C\C(=C/C1=C(Br)C(=O)c2ccccc2C1=O)C(O)=O |c:3|

BDBM50303973

C\C(=C/C1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)NCCO |c:3|

BDBM50303967

C\C(=C/C1=C(Cl)C(=O)c2ccccc2C1=O)C(O)=O |c:3|

BDBM50303966

C\C(=C/C1=C(F)C(=O)c2ccccc2C1=O)C(O)=O |c:3|

BDBM50303962

C\C(=C/C1=CC(=O)c2ccccc2C1=O)C(O)=O |t:3|

BDBM50303968

C\C(=C\C1=C(Cl)C(=O)c2ccccc2C1=O)C(O)=O |c:3|

BDBM92742

C\C(=N/Nc1cc(C)c2ccccc2n1)c1cn(C)n(-c2ccccc2)c1=O

BDBM318443

C\C(=N/Nc1cc(C)nc2cc3OCOc3cc12)c1cn(C)n(-c2ccccc2)c1=O

BDBM318449

C\C(=N/Nc1cc(C)nc2ccc(C)cc12)c1cn(C)n(-c2ccccc2)c1=O

BDBM318451

C\C=C\C(=O)NCCCCNC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O

BDBM318447

Cc1[nH]n(-c2ccccc2)c(=O)c1\C=N\Nc1cc(C)nc2cc3OCOc3cc12

BDBM92733

Cc1c(CN=Nc2cc(C)nc3cc4OCOc4cc23)c(=O)n(-c2ccccc2)n1C |w:5.5|

BDBM39549

Cc1c([nH]c2CC(CC(=O)c12)c1ccco1)C(=O)OCC1CCCO1

BDBM26584

Cc1cc(C(O)=O)c(CSCc2cc(oc2C)C(O)=O)o1

BDBM83759

Cc1cc(C)c2c(N)c3cccc(C)c3nc2n1

BDBM26607

Cc1cc(CSCc2cc(C(O)=O)c(C)o2)oc1C(O)=O

BDBM92731

Cc1cc(N=NCc2ccc3OCOc3c2)c2cc3OCOc3cc2n1 |w:4.3|

BDBM318448

Cc1cc(N\N=C\c2ccc(o2)[N+]([O-])=O)c2cc3OCOc3cc2n1

BDBM318445

Cc1cc(N\N=C\c2ccc3OCOc3c2)c2cc3OCOc3cc2n1

BDBM42119

Cc1ccc(C)n1-c1ccc(OCC(O)=O)cc1

BDBM26608

Cc1ccc(OCc2ccoc2C(O)=O)cc1C

BDBM26597

Cc1ccc(cc1)-c1ccc(CCC(O)=O)n1CC(O)=O

BDBM50438910

Cc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1

BDBM50438879

Cc1ccc(cc1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O

BDBM26620

Cc1ccc(cc1)S(=O)(=O)Oc1cc(cc2cc(cc(N)c12)S(O)(=O)=O)S(O)(=O)=O

BDBM26579

Cc1ccc2n(C(O)=O)c3nc(SCc4ccc(CC(O)=O)cc4)nnc3c2c1

BDBM50438909

Cc1cccc(c1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1

BDBM50438908

Cc1ccccc1-c1nn(C)c2nc(=O)n(C)c(=O)c2n1

BDBM83922

Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21

BDBM50438916

Cc1csc(c1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1

BDBM50438890

Cc1csc(c1)-c1nn(C)c2nc(N)nc(=O)c2n1

BDBM26589

Cc1nc2ccc(cc2c(O)c1CCC(O)=O)C(O)=O

BDBM34671

Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1

BDBM50388257

Cc1nnc(Nc2sc3CNCCc3c2-c2nc3ccccc3s2)o1

BDBM50388256

Cc1nnc(o1)-c1sc2CNCCc2c1-c1nc2ccccc2s1

BDBM50388258

Cc1noc(Nc2sc3CNCCc3c2-c2nc3ccccc3s2)n1

BDBM50388233

Cc1noc(n1)-c1sc2CNCCc2c1-c1nc2ccccc2s1

BDBM26591

Cc1oc(C)c(C(=O)NCC(O)=O)c1C(=O)NCC(O)=O

BDBM26592

Cc1oc(C)c(C(O)=O)c1COc1ccccc1C(O)=O

BDBM26610

Cc1oc(CSCC2CCCO2)cc1C(O)=O

BDBM26606

Cc1oc(CSCCSCc2cc(C(O)=O)c(C)o2)cc1C(O)=O

BDBM50453750

Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(cc1)-c1ccccc1F

BDBM50453738

Cc1sc(nc1-c1ccc(cc1)-c1ccccc1F)-c1ccc(Cl)cc1

BDBM58109

Clc1c(sc2ccccc12)C(=O)N1\C(SC(=C)C11CCCCC1)=N\c1ccccc1Cl

BDBM50453739

Clc1ccc(cc1Cl)S(=O)(=O)Oc1ccc(cc1)-c1ccc(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1

BDBM50438883

Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(-c3ccccc3)c2c1

BDBM50438873

Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(C3CC3)c2c1

BDBM50438872

Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(C3CCCCC3)c2c1

BDBM50438871

Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(C3CCNCC3)c2c1

BDBM50438880

Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(Cc3ccccc3)c2c1

BDBM50438876

Clc1ccc2n(-c3ccccc3)c3nc(=O)[nH]c(=O)c3cc2c1

BDBM50431702

Clc1cccc(NC(=O)c2noc3CCCc23)c1

BDBM50438877

Clc1cccc2cc3c(nc(=O)[nH]c3=O)n(-c3ccccc3)c12

BDBM50438875

Clc1cccc2n(-c3ccccc3)c3nc(=O)[nH]c(=O)c3cc12

BDBM50438878

Cn1c(=O)nc2n(-c3ccccc3)c3cc(Cl)ccc3cc2c1=O

BDBM50438874

Cn1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O

BDBM50438881

Cn1c2ccccc2cc2c1nc(=O)[nH]c2=O

BDBM50438889

Cn1nc(-c2ccccc2)c(O)c2c1nc(=N)[nH]c2=O

BDBM50438920

Cn1nc(CCc2ccccc2)nc2c1nc(=O)n(C)c2=O

BDBM50438921

Cn1nc(Cc2ccccc2)nc2c1nc(=O)n(C)c2=O

BDBM50438915

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1cc(Br)cs1

BDBM50438914

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1cc(cs1)-c1ccccc1

BDBM40314

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1

BDBM50438911

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC(F)(F)F)cc1

BDBM50438912

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)C(F)(F)F

BDBM50438919

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2ccccc2c1

BDBM36527

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1

BDBM50438917

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1cscn1

BDBM50438898

Cn1nc(nc2c1nc(=O)n(C)c2=O)C1CC1

BDBM50438897

Cn1nc(nc2c1nc(=O)n(C)c2=O)C1CCCC1

BDBM50438896

Cn1nc(nc2c1nc(=O)n(C)c2=O)C1CCCCC1

BDBM50438895

Cn1nc(nc2c1nc(=O)n(C)c2=O)C1CCOCC1

BDBM50388246

FC(F)(F)C(=O)Nc1sc2CNCCc2c1-c1nc2ccccc2s1

BDBM50438866

FC(F)(F)c1ccc2cc3c(nc(=O)[nH]c3=O)n(-c3ccccc3)c2c1

BDBM50388248

FC(F)C(=O)Nc1sc2CNCCc2c1-c1nc2ccccc2s1

BDBM50438858

Fc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N

BDBM222128

Fc1ccccc1-c1nc2cc(Cl)ccc2c(=O)o1

BDBM50438855

NC(=O)Cc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N

BDBM50436204

NC(Cc1cc(O)c(O)cc1O)C(O)=O

BDBM26611

NNC(=O)CS(=O)(=O)Nc1ncccn1

BDBM50438851

NS(=O)(=O)c1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N

BDBM50029028

Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(cc4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O

BDBM26616

Nc1c(cc(cc1S(N)(=O)=O)S(N)(=O)=O)S(N)(=O)=O

BDBM203863

Nc1ccc(\N=N\c2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O)c(c1)S([O-])(=O)=O

BDBM203862

Nc1ccc2cc(cc(O)c2c1\N=N\c1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)S([O-])(=O)=O

BDBM50438856

Nc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N

BDBM26596

Nc1ncnc2nc(SCCC(O)=O)[nH]c12

BDBM92740

Nc1nnc2nc(CC(=O)c3ccccc3[N+]([O-])=O)c(CC(=O)c3ccccc3[N+]([O-])=O)nn12

BDBM92741

O=C(CC(=Nc1ccccc1)C(=O)c1ccccc1)c1ccccc1 |w:4.4|

BDBM50388249

O=C(CCC#C)Nc1sc2CNCCc2c1-c1nc2ccccc2s1

BDBM50388245

O=C(CCc1ccccc1)Nc1sc2CNCCc2c1-c1nc2ccccc2s1

BDBM50453733

O=C(CSc1nc2ccccc2s1)CSc1nc2ccccc2s1

BDBM50453732

O=C(CSc1ncn[nH]1)Nc1cccc2C(=O)c3ccccc3C(=O)c12

BDBM50388244

O=C(Nc1sc2CNCCc2c1-c1nc2ccccc2s1)C1CC1

BDBM318455

O=C(\C=C(\Nc1ccccc1)C(=O)c1ccccc1)c1ccccc1

BDBM59527

O=C1NC(=O)\C(=C/C=C/c2ccco2)C(=O)N1Cc1ccco1

BDBM26612

O=C1c2ccccc2-c2cc(c(cc12)N(=O)=O)N(=O)=O

BDBM50438850

O=c1nc2n(-c3ccc4cn[nH]c4c3)c3cc(ccc3cc2c(=O)[nH]1)C#N

BDBM50438848

O=c1nc2n(-c3cccc(c3)-c3nnn[nH]3)c3cc(ccc3cc2c(=O)[nH]1)C#N

BDBM50438849

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,)|

BDBM50438865

O=c1nc2n(-c3ccccc3)c3cc(ccc3cc2c(=O)[nH]1)C#N

BDBM50438882

O=c1nc2n(-c3ccccc3)c3ccccc3cc2c(=O)[nH]1

BDBM92736

OC(=O)C(CCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O

BDBM50303974

OC(=O)C=Cc1c(O)c2ccccc2c(O)c1Br |w:4.4|

BDBM26588

OC(=O)CC1OC(=O)c2cc3C(CC(O)=O)OC(=O)c3cc12

BDBM26586

OC(=O)CCCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12

BDBM26585

OC(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12

BDBM26578

OC(=O)CCSc1nnc(SCCC(O)=O)s1

BDBM26576

OC(=O)CCc1ccc(-c2ccc(Cl)cc2)n1CC(O)=O

BDBM26598

OC(=O)CCc1ccc(-c2ccc(F)cc2)n1CC(O)=O

BDBM26577

OC(=O)CCc1ccc(-c2cccs2)n1CC(O)=O

BDBM26581

OC(=O)CCn1c2ccccc2n(CCC(O)=O)c1=S

BDBM26602

OC(=O)CN1C(=O)\C(=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c2ccccc12

BDBM26604

OC(=O)CN1C(=O)\C(=C2/SC(=S)N(C2=O)c2ccc(Br)cc2)c2ccccc12

BDBM26603

OC(=O)CN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc12

BDBM26605

OC(=O)CN1C(=O)\C(=C2/SC(=S)NC2=O)c2ccccc12

BDBM26593

OC(=O)CN1C(=S)S\C(=C\c2ccc(o2)-c2cccc(c2)C(O)=O)C1=O

BDBM26601

OC(=O)CN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12

BDBM26590

OC(=O)CSc1cc(nc(SCC(O)=O)n1)-c1ccccc1

BDBM26595

OC(=O)Cn1c(CCCCc2nc3ccccc3n2CC(O)=O)nc2ccccc12

BDBM26582

OC(=O)Cn1c2ccccc2n(CC(O)=O)c1=O

BDBM26613

OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O

BDBM50030281

OC(=O)c1cc2cccc([N+]([O-])=O)c2[nH]1

BDBM26600

OC(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccc(C(O)=O)c(c2)C(O)=O)cc1

BDBM26580

OC(=O)c1ccc(Sc2ccc(cc2)S(=O)(=O)c2ccc(C(O)=O)c(c2)C(O)=O)cc1

BDBM26599

OC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(Sc2ccc(C(O)=O)c(c2)C(O)=O)cc1

BDBM26621

OC(=O)c1ccc(cc1[N+]([O-])=O)[Sb](O)(O)=O

BDBM26615

OC(=O)c1cccc2cccc(-c3cccc4cccc(C(O)=O)c34)c12

BDBM26617

OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O

BDBM26594

OC(=O)c1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1C(O)=O

BDBM26609

OC(=O)c1oc2ccccc2c1CSc1ccccn1

BDBM50388255

OC(=O)c1sc2CNCCc2c1-c1nc2ccccc2s1

BDBM26619

OC1C(O[Sb](O)(O)(O)OC1C(O)=O)C(O)=O

BDBM67690

OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12

BDBM50438862

OCc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N

BDBM50453746

O[C@H](C(=O)c1cc2ccccc2o1)c1nc2ccccc2s1 |r|

BDBM318450

O[NH+](O)c1cc(ccc1NCCCCC(NC(=C)C[N+]([O-])=O)C(O)=O)[N+]([O-])=O

BDBM26618

O[Sb](O)(=O)c1ccc(NC(=O)c2ccccc2)cc1

BDBM15236

Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O

BDBM114257

Oc1cc2c(c(O)c1O)c1oc(=O)c(O)cc1oc2=O

BDBM4293

Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O

BDBM50438870

Oc1ccc(cc1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O

BDBM50438863

Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N

BDBM50438868

Oc1cccc(c1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O

BDBM50438864

Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N

BDBM50438867

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,)|

BDBM60996

[#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3|

BDBM50453735

[H][C@]12[C@@H](CCC(O)=O)N[C@@]3(C(=O)Nc4c3cccc4Cl)[C@@]1([H])C(=O)N(Cc1ccc3OCOc3c1)C2=O |r|

BDBM92737

[O-][N+](=O)c1ccc(\C=C\C(=O)NCCCCNC(=O)\C=C/c2ccc(cc2)[N+]([O-])=O)cc1

BDBM50453742

[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)N1NC(=C[C@@H]1c1ccccc1)c1ccc2ccccc2c1 |r,c:17|

BDBM50453736

[O-][N+](=O)c1ccc2nc(oc(=O)c2c1)-c1ccc(Cl)cc1Cl

BDBM50453734

[O-][N+](=O)c1cccc(c1)S(=O)(=O)[N-]c1nc2ccccc2nc1-[n+]1ccc(Cc2ccccc2)cc1

BDBM318454

[O-][N+](=O)c1ccccc1C(=O)Cc1nc2n[nH]c(=N)n2nc1CC(=O)c1ccccc1[N+]([O-])=O