Compound Name

SMILES String

O=S(=O)(NC1CCCC1)c1ccc(cc1)S(=O)(=O)NC1CCCC1

Cc1cccc(c1)N1C(N)=NC(N)=NC11CCCCC1 |c:10,13|

COCCNC(=O)CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1

Cc1nc2c3ccccc3sc2s1

CSc1nc2cc(Cl)ccc2s1

COCCn1c(SCC(=O)Nc2cccc(c2)C(=O)OC)nc2ccccc2c1=O

CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(NC(C)=O)c1cccc(F)c1

Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccco1)Cc1ccccc1F

O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(C1)c1ncccn1

O=C(NCC1CCCO1)C1CCCN1C(=O)NC1CCCCC1

Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1

Cc1sc2nc(CN(Cc3cccs3)C(=O)NC3CCCCC3)[nH]c(=O)c2c1C

Cc1ccc(cc1)-c1noc(CN2CCC(CC2)C(N)=O)n1

O=c1[nH]c2cc3OCCOc3cc2cc1C(N1CCCc2ccccc12)c1nnnn1C1CCCC1

c1coc(c1)-c1nnc(-c2ccncc2)n1-c1ccccc1

Clc1nc(Cl)n(CC(=O)Nc2ccccc2)n1

Oc1cc2ccccc2cc1-c1nnc(S)o1

O=c1[nH]c2cc3OCCOc3cc2cc1C(N1CCSCC1)c1nnnn1C1CCCCC1

O=C(COC(=O)c1ccccn1)N1CCN(CC1)c1ccccc1

COc1ccc2nc(N3CCC(O)CC3)c(cc2c1)C#N

C(Cn1nnnc1CN1CCCc2ccccc12)c1ccccc1

CCOc1c(C)cc(cc1C)-c1ncccc1O

Cc1ccc(cc1)S(=O)(=O)NC1=NCN(CN1)C1CCN(Cc2ccccc2)CC1 |t:12|

CCSc1nc2ccccc2n1CC(=O)N1CCCCC1

O=c1oc2ccc3ccccc3c2cc1-c1nnc(o1)-c1ccccc1

Cc1cnc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)s1

CCOC(=O)C1CCN(CC1)c1nc2cc(OC)ccc2cc1C#N

C=CCN(CC(=O)NCc1ccccc1)C(=O)c1csnn1

CC1=C(C#N)C(=O)NC(C)(C)C1 |c:1|

COc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1

Nc1nc(cs1)-c1ccc2OCCOc2c1

Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1CC=C

CC(C)(C)c1cc(nn1-c1ccccc1)C(O)=O

CN(C1CCCCC1)C(=O)c1ccc(cc1)S(=O)(=O)NC1CCCC1

CCN(Cc1ccccc1)C(c1nnnn1C(C)(C)C)c1cccc(c1)C#N

COCCn1c(SCc2nnc(o2)-c2ccccc2)nc2sc3CCCc3c2c1=O

COCCN1CC(=O)N(C(C1=O)c1ccc(Cl)cc1)c1cccc(C)c1C

O=C(CCn1nnc2ccccc12)N1CCN(CC1)c1ccccc1

COCCn1c(SCC(=O)c2ccc3OCCOc3c2)nnc1-c1ccco1

COc1ccc(Nc2ccc(nn2)-c2ccccc2F)c(OC)c1

OCCNC(=O)c1c(O)c2cccc3CCn(c23)c1=O

Cc1nnc2n(Cc3ccccc3)c(=O)c3c4CC(C)(C)OCc4sc3n12

COc1cc(OC)cc(c1)C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 |r,TLB:12:13:20:16.17|

Cc1nnc(NC(=O)C2CCCN(C2)c2ncccn2)s1

CN(C)c1ccc(cc1)N=Cc1nc(oc1O)-c1ccccc1 |w:9.9|

COc1cccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2ccc(cc2)-n2cnnn2)c1

Cc1cc(C)cc(NC(=O)C2CCCN(C2)c2nccc(C)n2)c1

CC12CCCCN1CCCc1c2[nH]c2ccccc12

O=C(NCCN1CCN(CC1)C(=O)NC1CCCCC1)NC1CCCCC1

CC1=NC2(O)c3ccccc3C(=O)C2(O)C1C(=O)OCC=C |t:1|

CCCC(=O)N1CCc2cc(ccc12)-c1nc(N)sc1C

COc1ccccc1N1CCN(CC1)C(c1nnnn1C(C)(C)C)c1ccc(Cl)cc1

CN1CCN(CC1)c1nc2c(C)cccc2cc1C#N

C(c1cccs1)n1nnnc1C(N1CCN(CC1)C1CCCC1)c1ccccc1

OC(CN1C2=NCCN2c2ccccc12)c1ccc2OCOc2c1 |t:4|

CCc1cc2cc(C)cc(C)c2nc1SCC(=O)N1CCN(CC1)C(=O)c1ccco1

CC(C)C(=O)Nc1cc(C)c(NC(=O)CCc2ccccc2)cn1

Cc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(CC2)c2ccccc2)o1

Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O

CC(=O)/N=C\1/N(N=C(S1)S(=O)(=O)N)C

CC(=O)N[C@H]1C[C@@H]1c1ccccc1

OC(=O)C(c1ccccc1)C1(O)CCCC1

Cc1ccc(C)c(NC(=O)c2ccccc2O)c1

O=NC(N1CCOCC1)P(=O)(N1CCOCC1)N1CCOCC1

Cn1c(OCC=C)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12

CCOC(=O)C(NCc1ccccn1)(NC(=O)c1cccnc1)C(F)(F)F

CN1Cc2c(CC1(C)C)c(C#N)c(SCc1ccccc1)nc2N1CCOCC1

CC(=C)CSc1nc(N)c2c3CCCc3sc2n1

CCOC(=O)CSc1nc(N2CCOCC2)c2CN(C)C(C)(C)Cc2c1C#N

CCOC(=O)c1c(C)[nH]nc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

CCCCCCc1cc2cc(C(=O)NC)c(N)oc2cc1=O

CN1CCc2c(C1)sc(\N=C\c1cccs1)c2C(N)=O

COc1ccc2[nH]cc(C(=O)CN3CCCCC3)c2c1

CCN(CC)CCN=C(C)c1c(O)n(-c2ccccc2OC)c(=O)[nH]c1=O |w:7.6,(3.08,5.01,;4.41,4.24,;5.75,5.01,;5.75,6.55,;4.41,7.32,;7.08,4.24,;7.08,2.7,;8.41,1.93,;8.41,.39,;7.08,-.39,;9.75,-.39,;9.75,-1.93,;8.41,-2.7,;11.08,-2.7,;11.08,-4.24,;12.42,-5.01,;12.42,-6.55,;11.08,-7.32,;9.75,-6.55,;9.75,-5.01,;8.41,-4.24,;7.08,-5.01,;12.42,-1.93,;13.75,-2.7,;12.42,-.39,;11.08,.39,;11.08,1.93,)|

CCC1CCCCN1CC(=O)c1c(C)[nH]c2ccccc12

CC1CCCCN1CC(=O)c1c(C)[nH]c2ccccc12

CC1(C)Cc2c(CO1)c(nc(NCC1CCCO1)c2C#N)-c1ccco1

CCOC(=O)C1C(CC(=O)C=C1C)c1ccco1 |c:10|

ON1[C@H]2CCCC[C@H]2N(O)C1c1ccc(Cl)cc1Cl

Cc1ccc(cc1)N1C(=O)c2sc3nnc(C)c(=O)n3c2C1=O

CCOc1ccc(cc1)-n1c(O)c(C=Nc2ccc(cc2)N(CC)CC)c(=O)[nH]c1=O |w:14.15|

CCOC(O)NC(=O)C(=O)c1cccs1

CCOC(=O)C1=C(C)N=C(SCC(=O)OC)C(C#N)C1c1ccc(cc1)C(=O)OC |c:5,t:8|

CCOC(=O)c1cc(=O)cc(o1)C(=O)OCC

CN1CCc2c(C1)sc1NC(NC(=O)c21)c1cccs1

Cc1nn2c3ccccc3nc2n(C)c1=O

COC(=O)CSC1=C(C#N)C(C(C(=O)OC)C(=O)N1)c1ccc(Cl)cc1 |c:6|

Cc1cc(C)cc(c1)N1C(SCC1=O)c1cccs1

CCOc1ccccc1N1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OCC=C

COC(=O)COc1ccc(Oc2nc(SC)nc(n2)N(C)C)nn1

Cc1ccc(cc1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1

CN(C)CCn1c2CCCCc2c(C)c1C(C)=O

COc1ccccc1C1C(C(=O)c2sc(C)nc2C)C(=O)C(=O)N1CCN1CCOCC1

COc1ccc(cc1)C1=Nc2nnnn2C(C1)c1cccc(OC)c1 |t:9|

COC(=O)\C=c1\s\c(=C(/C#N)C(=O)NCc2ccco2)n(-c2ccccc2)c1=O

CC(C)OC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccs1 |c:6,t:9|

COc1ccc(cc1)C1=Nc2nnnn2C(C1)c1ccc(C)cc1 |t:9|

CCOc1ccc(cc1)C1CC(=Nc2nnnn12)c1ccc(C)cc1 |c:12|

COc1ccc(CNc2oc(COc3ccccc3)nc2C#N)cc1

CCC(=O)Nc1ccccc1NC(CC)=C1C(=O)NC(=O)N(CC=C)C1=O |w:12.12|

CC1(C)CC2=C(C(=O)C1)C(O)(C(=O)N2Cc1ccco1)C(F)(F)F |c:4|

Cc1ccccc1COc1ccc(cc1)C(=O)C1C(N(CCCn2ccnc2)C(=O)C1=O)c1ccco1

CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC)cc2O)cc1

C[C@H](NC(=O)Nc1ccc2OCCOc2c1)C(O)=O

O=C(c1ccccc1)c1nc2ccccc2[nH]c1=O

COc1ccccc1Oc1c[nH]nc1-c1ccc(OCC(C)=C)cc1O

COc1ccc(NC(=O)CN2CCC3(O)CCCCC3C2c2cc(OC)ccc2OC)cc1

O=C1CCc2nc3ccccc3c(=O)n2N1

Cc1cccn2c1nc1n(CC3CCCO3)\c(=N\C(=O)c3cccnc3)c(cc1c2=O)C#N

CCCn1nc(-c2ccccc2)c2nc3ccccc3nc12

CCCC(=O)Nc1nnc(Sc2ccc(cc2)N(C)C)s1

CCOc1nc(C)ccc1-c1noc(n1)-c1ccccn1

Clc1ccc(cc1)-c1nnc2sc(nn12)-c1ccc(Br)o1

CCn1nc(-c2ccccc2)c2nc3ccccc3nc12

COc1cc(cc(Br)c1O)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1cc(C)on1

CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1

COc1ccccc1NC(=O)CCSc1nnnn1C

FC(F)(F)c1nnc2sc(nn12)-c1cccs1

O=C(CC1N(CCNC1=O)C(=O)Nc1ccccc1)Nc1ccc2OCOc2c1

Cc1cccc(c1)S(=O)(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12

Cc1ccc(C)c(c1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1

Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)c3ccco3)ccc12

C=CCn1c2nnc(SCC(=O)N3CCCc4ccccc34)n2c2ccccc2c1=O

Cc1ccc2c(CC(=O)Nc3sccc3C(N)=O)coc2c1

COCCn1c(C)cc(C(=O)COC(=O)c2cc3CCCc3s2)c1C

Cc1cc(C(=O)OCc2c(C)noc2C)c(C)n1-c1ccccc1

COCC(C)n1c(SCc2ccc(o2)C(=O)OC)nc2ccccc2c1=O

CC1(Cc2ccc3OCOc3c2)NC(=O)NC1=O

CN(Cc1ccccc1)C(=O)CSc1nnc(C)c(=O)[nH]1

O=C(NCN1CCCCC1)c1cnccn1

CN(C)c1ccc(cc1)C(=O)OCC(=O)Nc1ccc(cc1)S(N)(=O)=O

Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1CC=C

O=S(=O)(Nc1ccc2CCCc2c1)c1cccs1

CC1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)C(=O)OCc1c(C)noc1C

COc1cc(\C=c2/s\c(=C(\C#N)c3nc4ccccc4n3C)n(CC=C)c2=O)cc(OC)c1OC

O=C1CSC(N1Cc1ccco1)c1nn(cc1-c1cc2ccccc2oc1=O)-c1ccccc1

COc1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(OC)c(OC)c1

Cc1cc(C)c(OCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1

Cc1ccc(cc1)-n1nnnc1SCc1nnc(o1)-c1ccccc1Br

Cn1ccnc1SCc1cn2ccccc2n1

CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nn1cnnc1

CCNc1nc(NCC)n2c(SCc3ccc(F)cc3)nnc2n1

CCOC(=O)c1sc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCN(C)CC2)cc1C

FC(F)Oc1cccc(c1)C(=O)OCCN1C(=O)c2ccccc2C1=O

COCCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C

Cc1noc(C)c1COC(=O)Cc1ccc(Cl)c(Cl)c1

COc1ccccc1N1CCN(CC(=O)Nc2c(C)n[nH]c2C)CC1

COc1cc2nc(SCc3c(C)noc3C)n(CCC3=CCCCC3)c(=O)c2cc1OC |t:20|

CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(OC(F)F)cc2)n1

Nc1nc(SC2CCCCC2=O)c(C#N)c(-c2ccco2)c1C#N

Cc1c(-n2cc(cc(C#N)c2=O)C(=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C |(1.29,6.71,;2.76,6.24,;4,7.14,;4,8.68,;5.33,9.45,;5.33,10.99,;4,11.76,;2.67,10.99,;1.33,11.76,;,12.53,;2.67,9.45,;1.33,8.68,;6.67,11.76,;8,10.99,;6.67,13.3,;5.33,14.07,;5.33,15.61,;6.67,16.38,;8,15.61,;8,14.07,;9.34,13.3,;5.25,6.24,;6.71,6.71,;4.77,4.77,;5.68,3.53,;5.05,2.12,;5.96,.87,;7.49,1.03,;8.11,2.44,;7.21,3.69,;3.23,4.77,;2.33,3.53,)|

CN1CCC2(CC1)N=C1N=C(NN1C1=C2CN(C)CC1)SCc1ccc(Cl)cc1 |c:10,15,t:8|

O=c1[nH]c(nc2ccccc12)C(C#N)C1=NCCC1 |t:16|

COc1cc(\C=c2/s\c(=C(\C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)ccc1O

Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)Oc1ccc2OCOc2c1

Brc1ccccc1-c1nnc(CSc2nnnn2-c2ccccc2)o1

CC(Oc1ccc(Cl)cc1C)C(=O)Nc1ccccc1N1CCOCC1

CC(N1C(=O)C2CC=CCC2C1=O)C(=O)Nc1sccc1C(N)=O |c:7|

COC(=O)CNC(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1

COc1ccc(O)c(c1)C(=O)c1cc(C#N)c(=O)n(c1)-c1c(C)n(C)n(-c2ccccc2)c1=O |(7.08,8.52,;7.08,6.98,;8.41,6.21,;9.75,6.98,;11.08,6.21,;11.08,4.67,;12.42,3.9,;9.75,3.9,;8.41,4.67,;9.75,2.36,;11.08,1.59,;8.41,1.59,;7.08,2.36,;5.75,1.59,;4.41,2.36,;3.08,3.13,;5.75,.05,;4.41,-.72,;7.08,-.72,;8.41,.05,;7.08,-2.26,;5.84,-3.16,;4.37,-2.69,;6.31,-4.63,;5.41,-5.87,;7.85,-4.63,;8.76,-5.87,;8.13,-7.28,;9.04,-8.52,;10.57,-8.36,;11.19,-6.96,;10.29,-5.71,;8.33,-3.16,;9.79,-2.69,)|

COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)o1

COC(=O)C(CC(=O)Nc1cc(C)ccc1C)Nc1ccccc1OC

Cc1cc(C(=O)COc2cccc3cccnc23)c(C)n1C

C1CCc2c(C1)sc1ncnc(-n3nnc4ccccc34)c21

CN(C)C1=NC(=NP(=N1)(N(C)C)N(C)C)c1ccccc1 |c:5,t:3|

Cc1ccc(c(C)c1)-n1nnnc1SCc1nnc(o1)-c1ccccc1Br

COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1

Cc1[nH]n(CCC#N)c(=O)c1CC(=O)N1CCN(CC1)c1ccccc1

CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1

COc1ccc(OC)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1

Clc1ccc2oc(SC3CCOC3=O)nc2c1

Cc1cc(NC(=O)Cn2nc3CCCCc3cc2=O)ccc1Br

Cc1cc(NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)no1

CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1cccc(OC)c1

COc1cc(cc(OC)c1OC)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccccn1

COC(=O)c1ccc(CSc2nc3CCSc3c(=O)n2-c2ccc(Br)cc2)o1

Cc1nc2cc(C)c(C)cc2n1CCCN

O=C(Nc1cccs1)Nc1cccc(c1)C#N

Cc1ccc(CN2CCSc3ccc(cc23)C(=O)N2CCN(CC2)c2ncccn2)cc1

O=C(NCc1ccccn1)C1CCN(CC1)S(=O)(=O)c1c[nH]cn1

NC(=O)c1ccc(cc1)C1SCC(=O)N1Cc1ccccc1

Brc1cccc(c1)C1CC(c2ccccc2)n2nnnc2N1

O=S(=O)(N1CCc2ccccc2C1)c1cccc2nsnc12

O=C1CC2CS(=O)(=O)CC2N1c1ccc(Oc2ccccc2)cc1

COc1ccc(cc1)-c1nc2ccccc2n1CC=C

CCOC(=O)c1sc2nc(C)n(CC(=O)NCC3CCCO3)c(=O)c2c1C

COc1ccc(CNC(=O)Nc2cccs2)cc1OC

CCOc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)cn1

CC1C(NC(C(C)C1=O)c1cccs1)c1cccs1

CC1(O)N(CCc2ccccc2F)C(=O)c2ccccc12

COc1ccccc1CN1CCCC(C1)C(=O)N(C)Cc1ccccc1

CCC(C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCC1CCCO1

COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)o1

CC#CCCCC(=O)Nc1ccccc1C(O)=O

COCCN1Cc2cccc(C(=O)Nc3cc(OC)ccc3OC)c2C1=O

CC(C)CSc1nnc2[nH]c(=O)cc(N)n12

Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccc1Cl

COc1ccc2C3OCc4ccccc4N3C(=O)c2c1OC

COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC

CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCCN(CC)c1cccc(C)c1

Fc1ccc(Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)c(Cl)c1

Cc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3C)c2N)cc1

O=C(CN1CCN(CC1)C(=O)c1ccco1)Nc1c2CCCc2nc2CCCCc12

CCOC(=O)C1CCN(CC1)C(=O)c1n[nH]c(=O)c2ccccc12

O=C(CCn1nc(ccc1=O)-c1ccccc1)N1CCOCC1

COC(=O)C1=Nc2nnnn2C(C1C(=O)c1ccccc1)c1ccc(O)c(OC)c1 |t:4|

Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1

COc1ccc(cc1)N1CCN(CCCNC(=O)CN2CCN(Cc3ccccc3C)C2=O)CC1

CCn1cc(C2=NOC(C2)C(=O)Nc2ccccc2C(=O)OC)c(C)n1 |t:5|

CCOC(=O)c1nnn(c1CN(C)C1CCCCC1)-c1nonc1N

COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O

Cc1ccc(CCNC(=O)C2CCC(=O)N2C2CCCC2)cc1

COc1ccccc1NC(=O)CN1c2ccccc2S(=O)(=O)CCC1=O

CCN(CC)C(=O)CSc1ncnc2n(nnc12)-c1ccc(OC)cc1

COc1ccccc1-n1c2nc(SC)n(Cc3ccco3)c(=O)c2sc1=S |(16.83,.92,;15.32,.6,;14.29,1.75,;14.77,3.21,;13.74,4.36,;12.24,4.04,;11.76,2.57,;12.79,1.43,;12.31,-.04,;10.85,-.51,;9.52,.26,;8.18,-.51,;6.85,.26,;6.85,1.8,;8.18,-2.05,;6.85,-2.82,;5.52,-2.05,;5.36,-.51,;3.85,-.19,;3.08,-1.53,;4.11,-2.67,;9.52,-2.82,;9.52,-4.36,;10.85,-2.05,;12.31,-2.51,;13.21,-1.28,;14.75,-1.28,)|

COC(=O)C1=C(CCS1)NC(=O)c1cccc(OC)c1 |t:4|

CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(CNC(=O)c2ccccc2F)o1

CCOc1ccc(c2ccccc12)S(=O)(=O)n1ccc(C)n1

CCCS(=O)(=O)N1CCC(CC1)C(=O)NCCCOC(C)C

CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccccc1OC

COC(=O)c1ccc(cc1)C(=O)C(C#N)c1nc2ccccc2s1

COc1ccc(cc1)C(=O)N(C1CS(=O)(=O)C=C1)c1ccccc1 |c:17|

O=C(OCCNC(=O)c1cccnc1)C1COc2ccccc2O1

Cc1nc2c(c[nH]n2c(=O)c1Cl)C(=O)NCCc1ccccc1

Oc1ccc(Cl)cc1N1C(SCC1=O)c1ccccc1F

CC(C)Oc1ccc(cc1)C(=O)Nc1c2CS(=O)Cc2nn1-c1ccc(C)cc1

CC#CCCC(=O)N1C=Cc2ccccc2C1C#N |c:8|

Fc1ccc(Cn2c3ccccc3c(=O)n(C3CCCC3)c2=O)cc1

COc1ccc(NC(=O)c2cc(on2)-c2ccccc2OC)cc1

Fc1ccccc1N1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cccc1

Cc1ccccc1CNC(=O)Nc1cccs1

CCOc1ccc(cc1)-n1c(SCC(=O)NCc2ccco2)nc2c3ccccc3[nH]c2c1=O

CCOC(=O)N1CCN(CC1)C(=O)c1ccc2nc(SCc3ccc(F)cc3)n(C)c2c1

Clc1ccc(cc1)-n1c(nc2ccccc2c1=O)N1CCCC1

Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(F)cc1

Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1cc(on1)-c1cccs1

CCN(CC)C(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)Nc1cc(C)cc(C)c1

C(Cc1ccccc1)Nc1nc2ccccc2n2nnnc12

CCOC(=O)Cn1c2CCCCc2c(cc1=O)-c1ccccc1OC

CCOC(=O)C1CCCN(C1)c1ncnc2n(ncc12)-c1ccc(Cl)cc1

COc1ccc(OC)c(\C=c2/sc3nc(nn3c2=O)-c2cccs2)c1

COC(=O)C(F)(F)Sc1c(C)[nH]c2ccccc12

CCCN1Cc2cccc(C(=O)NCc3cccs3)c2C1=O

OC(=O)c1ccc(NC(=O)C2CCCCC2)cc1

COc1ccc(Nc2ccccc2)c(C)c1

CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1

COc1ccc(C)cc1NCc1cccc(OC)c1OC

CSc1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

Fc1c(F)c(F)c(C(=O)NCc2ccc3OCOc3c2)c(F)c1F

Clc1cc(ccc1OCC(=O)NCc1cccnc1)S(=O)(=O)NC1CCCCC1

CN(Cc1nc(no1)-c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1

[H]C12CC([H])(C=C1)C1C2C(=O)N(CCCO)C1=O |c:5,TLB:16:7:2:6.5,THB:9:8:2:6.5|

Cc1ccc(cc1CO)-c1nn(C)c(=O)c2ccccc12

COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(C)onc1-c1ccccc1

Cc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N

Fc1ccccc1CSc1nnnn1-c1ccc2OCOc2c1

CCC(=O)Nc1cc(Cl)ccc1N1CCN(CC1)C(=O)CC

CC(C)N1CC(CC1=O)C(=O)Nc1ccc(Br)c(Cl)c1

CC(=O)Nc1cccc(OC(=O)c2ccoc2C)c1

O=C(c1ccc(cc1)N1CCNCC1)c1cccnc1

CCOc1ccc(cc1)C(=O)c1cccs1

Nc1nc(CN2CCc3ccccc3C2)nc(Nc2ccccc2)n1

CCOC(=O)CSC1=C(C#N)C(C(C(=O)OC)C(=O)N1)c1ccc(Cl)cc1 |c:7|

COc1ccc(CCNc2nc(nc(n2)N2CCCCC2)N2CCCCC2)cc1OC

COc1ccc(Cc2nc(no2)-c2ccc(Cl)cc2)cc1

COc1cccc(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1OC

Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)s1

COc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccncc1

CCOC(=O)Nc1ccc(Oc2ccccc2)cc1

Cn1nnc2cc(ccc12)C(=O)NCCC1=CCCCC1 |t:17|

Brc1ccc(CSc2nnc(Cc3c[nH]c4ccccc34)o2)cc1

O=C(OCc1ccc2OCOc2c1)c1ccc(cc1)S(=O)(=O)N1CCCC1

CN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2cc(Br)ccc12

CCOc1ccc(cc1)S(=O)(=O)Nc1cccnc1

Nc1nnc(SCc2ccc(F)cc2Cl)s1

Cc1ccc(OCn2c3ccccc3sc2=O)cc1

Nc1nnc(SCc2cc3OCOc3cc2Cl)s1

CS(=O)(=O)N(Cc1ccccc1)c1ccc(cc1)C(=O)N1CCOCC1

Cc1ccn(n1)C(=O)c1ccc(NC(=O)C2CCCCC2)cc1

Cc1onc(c1C(=O)NCc1ccc(cc1)N1CCCC1=O)-c1ccccc1Cl

CCOc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(SC)cc1

CCOc1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1

CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)c(C)c1C

Oc1c(C(=O)CC2CCCCC2)c(=O)oc2ccccc12

Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC1

COc1ccc(cc1OC)S(=O)(=O)N(C)CC(=O)NC1CCCCC1

Cc1cc(C)c2c(CC(=O)Nc3nccs3)coc2c1

COc1ccc(OC)c(c1)S(=O)(=O)N1C(C)Cc2ccccc12

CC(Oc1ccccc1)C(=O)Nc1ncccc1C

CN(c1nc(cs1)-c1sc(N)nc1C)c1ccc(O)cc1

O=C(Nc1cccc2ncccc12)c1ccc2OCCOc2c1

CC(Oc1ccc(Br)cc1)C(=O)N1CCc2ccccc12

Cn1c(CN2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc12

CCOc1ccc(Cl)cc1S(=O)(=O)n1nnc2ccccc12

CCCOc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(NC(=O)CC)cc1Cl

CCCSc1nnc(NC(C)=O)[nH]1

O=C(CSc1nnc(o1)C1COc2ccccc2O1)NC1CCCCC1

NC(=O)CS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F

CC1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccccn1 |c:12,(3.08,-3.7,;4.62,-3.7,;5.39,-5.03,;6.93,-5.03,;7.7,-3.7,;6.93,-2.37,;5.39,-2.37,;8.61,-4.94,;10.07,-4.47,;11.32,-5.37,;10.07,-2.93,;11.32,-2.02,;8.61,-2.45,;8.13,-.99,;6.62,-.67,;9.16,.16,;8.68,1.62,;9.71,2.77,;11.22,2.44,;12.25,3.59,;11.78,5.05,;10.27,5.37,;9.24,4.23,)|

Nc1nc2NC(CC(c3cccc(Br)c3)n2n1)c1ccc(F)cc1

O=C(NC1CCCCCCC1)C1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)CCc2c1

CSC1=NCCN1C(=O)Cc1ccc(Cl)cc1 |t:2|

COc1ccccc1N1CCN(CC1)c1cc(C)nc2c(c(C)nn12)-c1ccccc1OC |(3.08,5.9,;4.41,5.13,;5.75,5.9,;5.75,7.44,;7.08,8.21,;8.41,7.44,;8.41,5.9,;7.08,5.13,;7.08,3.59,;8.41,2.82,;8.41,1.28,;7.08,.51,;5.75,1.28,;5.75,2.82,;7.08,-1.03,;5.75,-1.8,;5.75,-3.34,;4.41,-4.11,;7.08,-4.11,;8.41,-3.34,;9.87,-3.81,;10.77,-2.57,;12.31,-2.57,;9.87,-1.34,;8.41,-1.8,;10.35,-5.28,;11.86,-5.6,;12.34,-7.06,;11.31,-8.21,;9.8,-7.89,;9.32,-6.42,;7.81,-6.11,;6.79,-7.25,)|

Clc1ccccc1CSC1=NCCN1C(=O)c1ccco1 |t:10|

CN1CCc2c(C1)sc1NC(NC(=O)c21)c1sccc1C

Cn1cc(C(=O)c2ccccc2)c2ccccc12

COc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1

Brc1ccc(o1)-c1noc(CCc2ccccc2)n1

Cn1c2ccccc2c(OCCCC(=O)NCCN2CCN(CC2)c2ccccc2F)cc1=O

CC(C)C(NS(=O)(=O)c1ccc2n(C)c(=O)oc2c1)C(=O)N1CCN(CC1)C1CCCCC1

CCOC(=O)N1CCN(CC(O)c2ccc3cc[nH]c3c2)CC1

COc1c(Cl)cc(cc1Cl)-c1noc(C)c1C(=O)NCc1ccc2OCOc2c1

Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CS(=O)(=O)c3ccccc3)cc2)c1C

O=C1CC(CN1S(=O)(=O)c1ccccc1)c1ccccc1

Cc1c(C2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(=O)C23)c(=O)n(-c2ccccc2)n1C |t:14|

CSc1ccccc1NC(=O)c1cc(CC(C)C)on1

Cc1ccc(C)c(Cn2nnc(C(=O)Nc3cc(C)cc(C)c3)c2N)c1

O=C1c2ccccc2-c2ncnc3c(cc(N4CCOCC4)c1c23)N1CCOCC1

CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(o1)-c1ccc(cc1)C(C)(C)C

COc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1OC

CC1CN(CC(C)O1)C(c1ccco1)c1sc2ncnn2c1O

Cn1c2nc(SCc3ccc(F)cc3)n(CC=C)c2c(=O)[nH]c1=O

Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)Nc1ccc(Br)cc1F

O=C(Nc1nnc(o1)-c1ccccc1)c1nc2ccccc2s1

Cc1c(sc2nc(cn12)-c1ccc(F)cc1)C(=O)NCC1CCCO1

CCOC(=O)N1CCN(Cc2nc3n(C)c(=O)n(C)c(=O)c3n2CCC(C)C)CC1

COC(=O)c1ccc(CSc2nc3n(ncc3c(=O)[nH]2)-c2ccc(F)cc2)o1

CC(C)N1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)c2C#N

Cc1nc(CNS(=O)(=O)c2ccc3ccccc3c2)cs1

COC(=O)c1ccc(OC(=O)c2nn(C)cc2Cl)c(OC)c1

Cc1ccc(cc1)C(=O)N1CCN(C1)C(=O)CN1CCOCC1

[H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1cccc(n1)N1C(=O)C2C(C1=O)C1([H])CC2([H])C=C1 |c:5,38,TLB:9:8:2:5.6,21:23:29:33.32,THB:12:7:2:5.6,25:24:29:33.32|

O=S(=O)(Nc1ccc(CC#N)cc1)c1cccs1

COc1ccc(Cl)cc1NC(=O)c1ccoc1C

Cc1nnc(C)n1\N=C\c1cccs1

CCCC(NCC(O)=O)=C1C(=O)CC(C)(C)C(C(=O)OC)C1=O |w:9.21|

CCCC(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)c(O)c1

Cc1cc2c(cc(=O)oc2c2CCCNc12)C(F)(F)F

Cc1cccc(c1)C(=O)Nc1ccccc1C(=O)NCC=C

O=C(N1CCN(CC1)c1ccccn1)c1ccc2snnc2c1

CCOC(=O)c1ccc(NCn2c3ccccc3oc2=O)cc1

Fc1ccc(cc1)-c1cc(n2nc(cc2n1)C(=O)N1CCOCC1)C(F)(F)F

N#Cc1cc2ccccc2nc1SCc1cccnc1

OCCCN1C(=O)C2=C(SCCS2)C1=O |t:7|

Cc1c(Cl)cccc1N1C(=O)c2ccccc2C1=O

CC(=O)c1c(C)n(Cc2ccccc2)c(=S)nc1N1CCCCC1

CCCP(=O)(CC(=O)N(CC)CC)c1ccccc1

Cc1cc(nc(NCc2ccccc2)n1)N1CCOCC1

CN(CCO)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1C

CCCCOc1ccccc1C1C(=CN(CC)C=C1C(=O)OC)C(=O)OC |c:13,18|

Cc1c(oc2ccc3c(C)cc(=O)oc3c12)C(N=O)c1ccccc1

COc1ccc(C)cc1S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1cc(C)ccc1OC

COCc1cc(=O)n2[nH]c(cc2n1)-c1ccccc1

COc1ccc(CN2CCN(CC2)C(=O)c2cccs2)c(OC)c1OC

CC(=O)Nc1cc(C(N)=O)c(Cl)cc1Cl

COc1ccc2c(CC#N)c[nH]c2c1

[H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)NCCc1cccc(Cl)c1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|

CCOC(=O)c1ccc(NC(=O)CN2C(=O)CSC2=O)cc1

COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(C)onc1-c1ccccc1Cl

COc1cc(CNc2ccccc2SC)ccc1O

Cc1cc(OCC(=O)C(C)(C)C)c2c(C)c(C)c(=O)oc2c1

OC(=O)C1CN(CCOc2ccccc2)C(=O)C1

FC(F)C(F)(F)COC(=O)CCC(=O)NCc1ccccc1

COc1ccccc1N1CCN(Cc2c(F)cccc2Cl)CC1

CCOc1ccc(cc1)C1C(C#N)C(=N)N2C(Sc3ccccc23)=C1C#N |c:26|

CCc1ccccc1-n1c(O)c2CC(C)=C(C)Cc2c1O |t:15,(11.75,-3.35,;10.98,-2.02,;11.75,-.68,;13.29,-.68,;14.06,.65,;13.29,1.98,;11.75,1.98,;10.98,.65,;9.44,.65,;8.54,1.89,;9.02,3.35,;7.08,1.42,;5.75,2.19,;4.41,1.42,;3.08,2.19,;4.41,-.12,;3.08,-.89,;5.75,-.89,;7.08,-.12,;8.54,-.59,;9.02,-2.05,)|

CCCS(=O)(=O)c1nc(c(s1)N1CCCC1)S(=O)(=O)c1ccc(C)cc1

Cc1c(oc2ccccc12)C(=O)NCc1cccnc1

COC(=O)CSC1=NS(=O)(=O)c2ccccc12 |t:6|

CN(C)c1ccc(cc1)C(N=O)c1ccccc1

CC(=C)CSc1nc2CCCc2cc1C#N

Oc1c(CC(=O)OC2CCCCC2)c(=O)[nH]c2ccccc12

CC(C)(C)c1nc(CN2CCCCC2)cc(CN2CCCCC2)c1O

CCC(C)(C)NC(=O)C(N(Cc1ccco1)C(=O)c1csnn1)c1ccccc1F

CSCSC1=NC(C)=C(C(C1C#N)c1ccccc1Cl)C(C)=O |c:7,t:4|

O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccncc1

C1CN2C[C@@H](N=C2S1)c1ccccc1 |r,c:5|

CCOC(=O)c1nnn(CC(=O)N2N=C(CC2c2ccccc2)c2ccccc2)c1C(=O)OCC |c:13|

CCOc1ccc(cc1)\N=c1/scc(-c2ccc(OC)cc2)n1CCO

[H][C@]12CC[C@H](C)CN1[C@@]1([H])C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |t:17|

N=C1OC2=C(C(C1C#N)c1ccc3OCOc3c1)C(=O)CC(C2)c1ccccc1 |c:3|

Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N

CCCCCCc1cc2cc(C(=O)NCc3ccccc3)c(N)oc2cc1=O

COc1ccc(NC(=O)CCN2CCCCCC2)cc1

COC(C(=O)Nc1ccc(F)cc1)c1ccccc1

Clc1ccc2oc(nc2c1)C(C=O)C=Nc1ccccn1 |w:14.16|

Cn1c(SCC(=O)N2CCCc3ccccc23)nc2cccnc12

CCN(CC)C(=O)CSc1ncnc2n(ncc12)-c1ccccc1

COCCn1nnnc1C(N1CCN(CC1)c1ccccc1)c1ccccc1

CC1=CN2C(C=C1)=NC(=O)CC2(C)C(=O)N(CC(=O)NC1CCCC1)c1ccccc1C |c:5,7,t:1|

CC1(C)Cc2c(sc(\N=C\N3CCCC3)c2C#N)C(C)(C)N1

CCn1c(COc2ccccc2C)nc2ccccc12

O=C(CCCc1ccccc1)Nc1nncs1

Cc1ccc(C)n1NC(=O)c1ccccc1O

Clc1ccc(s1)S(=O)(=O)Nc1nc2ccccc2s1

OC(=O)CCC(=O)Nc1ccc(Br)c(Cl)c1

CCCCC1(CCCC)C(=O)NC(Nc2cccc(C)c2)=NC1=O |c:21|

Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc34)o2)c(C)c1

Cc1nc2ccccc2n1CC(O)COC1CCCCC1

COC(=O)C1C(C(C1c1ccccc1)C(=O)OCc1ccco1)c1ccccc1 |(15.58,-1.33,;14.04,-1.33,;13.27,,;14.04,1.33,;11.73,,;10.64,-1.09,;9.55,,;10.64,1.09,;10.64,2.63,;11.97,3.4,;11.97,4.94,;10.64,5.71,;9.31,4.94,;9.31,3.4,;8.01,,;7.24,-1.33,;7.24,1.33,;5.7,1.33,;4.93,2.67,;3.4,2.83,;3.08,4.33,;4.41,5.1,;5.56,4.07,;10.64,-2.63,;9.31,-3.4,;9.31,-4.94,;10.64,-5.71,;11.97,-4.94,;11.97,-3.4,)|

O=C(NCCCCCCNC(=O)N1CCCCCC1)N1CCCCCC1

[O-][N+](=O)c1c(NC2CCCCC2)c2ccccc2n(-c2ccccc2)c1=O

CC1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc12

CCCCCn1nc(C)c(C=NNC(=O)c2cc(C)oc2C)c1C |w:11.11|

O=c1oc(nc2sc3CCCCc3c12)-c1ccco1

NC(=O)CSc1nnnn1-c1ccc2OCCOc2c1

c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F

Cc1cccc(C)c1OCC(=O)Nc1oc(c(c1C#N)-c1ccccc1)-c1ccccc1

COC(=O)c1ccc(Cc2ccccc2)o1

CCOC(=O)c1c(N)sc(C(=O)N2CCCCC2)c1C

CCC(N1CCN(Cc2ccccc2)CC1)c1nnnn1C1CCCC1

CC1(C)Cc2ccccc2C(=N1)c1cc2ccccc2oc1=O |c:11|

CC(C)(C)n1nnnc1C(N(Cc1ccco1)Cc1cccnc1)c1ccc(Cl)cc1

Cc1ccc(NC(=O)CSC2=C(C#N)C(CC(=O)N2)c2ccco2)cc1 |c:10|

Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1nc2ncccn2n1

Cc1ccc(cc1)N1CCN(CC1)C(=O)CN1C(=O)c2ccccc2C1=O

CCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1

CCCCCn1c2ccccc2c(O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1=O

CCCCc1nc2ccccc2c(NC(=O)CN(CC)CC)c1CCC

N#Cc1cccc(c1)C(N1CCCCCC1)c1nnnn1C1CCCC1

CCOC(=O)C1=NN(C2=NC(C)=C(C(N12)c1cccs1)C(=O)OC)c1ccccc1 |c:11,t:5,8|

CC1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnnn21

CC(C)OC(=O)c1c(NS(=O)(=O)c2ccccc2)sc2CCCCc12

CNc1nc(nc(n1)N(C)C)N(C)C

Clc1cccc(c1)N=Nc1c2[nH]c3CCCCc3c(=O)n2[nH]c1=O |w:8.9|

COc1ccc(\C=C\C(=O)Nc2c(C)nn(C)c2C)cc1COc1ccc(Br)cc1

COc1ccnc(CSC(N)=Nc2ccc(F)cc2)c1 |w:11.11|

CC(C)(C)c1ccc(cc1)C(=O)N1CCN(C(CO)Cc2ccccc2)C(=O)CC1

Cc1ccc(cc1)S(=O)(=O)N1CCN(C(COCc2ccc(Cl)c(Cl)c2)Cc2ccccc2)C(=O)CC1

Cc1ccc(cc1)S(=O)(=O)N1CCN(C(COCc2ccc(cc2)C(F)(F)F)Cc2ccccc2)C(=O)CC1

COC(=O)c1cc(C#N)c(NCc2ccccc2)nc1C

NC(=O)COc1ncn(n1)-c1ccccc1

CCN(CC)C(=O)c1c(C)nc2ccccn12

CN(C)c1c(ncn1C)[N+]([O-])=O

CC(C)c1ccc(CC(C)=CN=Nc2nc(C)cc(C)n2)cc1 |w:12.12,10.10|

COC(=O)CC(NC(=O)c1ccc(C)cc1)c1ccc2OCOc2c1

CN(N(CC#C)S(=O)(=O)c1ccc2ccccc2c1)c1ncc(cc1Cl)C(F)(F)F

Cc1ccn2cc(CSc3ccccc3N)nc2c1

CCc1nc(NCCC(C)C)c(C#N)c2CCCCc12

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cnc(C)n1 |TLB:5:3:11:6.9.8,8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|

Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1-c1ccc(Cl)cc1

COC(=O)C1=C(N)c2c(cccc2F)C1(C#N)c1ccccc1 |c:4|

Cc1c(N=C2C(Cl)C(=O)N(C2=O)c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C |w:3.2|

CCCCNc1nc(CC)c2CCCCc2c1C#N

O=C(Cc1nc2ccccc2n(-c2ccccc2)c1=O)c1ccccc1

CCOC(=O)c1sc(NC(=O)CSc2nnc([nH]2)-c2ccncc2)c(C#N)c1C

CCOC(=O)c1cc(C)sc1NC(=O)CCC(O)=O

COc1ccc(cc1OC)C1CCCN1C(=O)Nc1ccc(C)c(C)c1

COC(=O)c1cc(C#N)c(nc1C)N(C)Cc1ccccc1

Cc1noc(\C=C\c2ccc(o2)-c2ccccc2Cl)c1[N+]([O-])=O

CC(=O)C1C(N(C(=O)C1=O)c1nccs1)c1ccccc1

Cc1cc(C)c(Nc2c(cc([N+]([O-])=O)c3cccnc23)[N+]([O-])=O)c(C)c1

CCCCNC(=O)CCc1nc2cccnc2n1Cc1ccc(OC)cc1

CCC(C)C1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC(=O)NCc2ccco2)C1=O |t:5|

Clc1ccc(cc1)-c1nnc(NC(=O)c2nc3ccccc3s2)o1

[O-][N+](=O)c1ccc(cc1)C(=O)N(Cc1ccc(Cl)cc1)N1C(=O)CCCC1=O

[O-][N+](=O)c1ccc(cc1)C(=O)N(Cc1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O

Cc1ccccc1NC(=O)c1ccc(o1)-c1ccc(Cl)cc1Cl

Cc1ccc(CC(=O)NCCCc2ccccc2)cc1

CC1(C)C2(C)CCC1(OC2=O)C(=O)Nc1ncc(s1)[N+]([O-])=O |TLB:10:9:1:5.6|

Cc1ccccc1CNC(=O)c1ccccc1N

O=C(Nc1cccc2ccccc12)N1CCC=CC1 |c:18|

COc1cccc2c1ccn(CC(=O)N1CCc3ccccc13)c2=O

CCCc1nnc(NC(=O)Cn2c3ccc(Br)cc3oc2=O)s1

COc1ccc(CN2CCCCC2C)cc1C

ON1N(c2cc(no2)-c2cccc(Cl)c2)C(=O)Nc2ccccc12

COC(=O)c1ccc(Sc2ccc(Cl)cc2)c(N)c1

COC(=O)c1cn(NC(=O)c2ccc(F)cc2)c(=O)c2ccccc12

CC(SC1=NCCS1)C(=O)Nc1nnc(s1)-c1ccc(Br)cc1 |t:3|

c1cc(ccc1Oc2c(cc(cn2)Cl)Cl)Oc3c(cc(cn3)Cl)Cl

CC(=O)c1cc(F)c(cc1C)N1CCN(CC1)C(=O)C(C)(C)C

Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(=O)n1CC=C

Fc1cccc(F)c1NC(=O)CCc1ccccc1

COc1ccccc1\C=C\C(=O)N1CCOCC1

C(CCSc1ncccn1)COc1cccc(Oc2ccccc2)c1

Cc1ccc(Nc2ccc(cc2N)C(O)=O)cc1

CCN1C(C(C)C(=O)C(C)C1c1ccccc1)c1ccccc1

CCC1CCCCN1Cc1ccc(OC)c(C)c1

CCOC(=O)c1c(NC(=O)c2c(Br)cnn2C)c(nn1-c1ccccc1)C#N

O=C(CCN1CCCCC1)c1ccc2OCOc2c1

COc1ccc(cc1)C(=O)Nn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O

CC1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccnc1

Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)Cc1c([nH]c2ccccc12)C(O)=O

CCN(c1cccc(C)c1)c1nc2ccsc2c(=O)s1

CC(C)(C)OC(=O)N1CCC(CC1)c1cc(=O)n2[nH]cc(C(=O)NC3CCCC3)c2n1

CCN(CC)c1ccc(cc1)N=Cc1ccc(cc1O)N(CC)CC |w:11.11|

Fc1ccc(Br)cc1C1CC(=Nc2ncnn12)c1ccc(Br)cc1 |c:11|

CCOc1cc2[nH]c(=O)n(Cc3ccccc3)c(=O)c2cc1OCC

Clc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:8|

CCOc1cc(cc(OCC)c1OCC)-c1cn(nc1N)S(=O)(=O)c1cccc2nsnc12

FC(F)(F)c1[nH]n(-c2ccccc2)c(=O)c1Sc1ccccc1

Fc1ccc(cc1)C(=O)Cc1nc2ccccc2n(-c2ccccc2)c1=O

Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

CCOC(=O)c1cc2ccccc2n1CCN(CC)CC

COc1ccc(cc1)S(=O)(=O)NNC(=O)c1csc(n1)-n1nc(C)cc1C(F)(F)F

COc1ccc(CN2CCSCC2)cc1C

CCOC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1

COc1ccc(\C=C\c2c([N+]([O-])=O)c(=O)n(C)c(=O)n2C)cc1O

COC(=O)Cc1sc(=O)[nH]c1Nc1ccc(OC)cc1

CCCC(=O)NC(C)c1nc2ccccc2[nH]1

COc1ccc(cc1N(CC(O)Cn1nnc2ccccc12)S(=O)(=O)c1ccc(C)cc1)[N+]([O-])=O

CCn1c(C)c(C(C)=O)c(nc1=S)N1CCN(CC1)c1ccccc1

COc1ccc(cc1)C(=O)Cc1nc2ccccc2n(-c2ccccc2)c1=O

CC1=CC(C)(C)N(C(=O)c2ccccc2)c2ccc(C)cc12 |t:1|

CCCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1cccnc1

CCCc1nnc(SCc2ccc(Cl)cc2Cl)[nH]1

CN1C2=C(C(NC1=O)c1ccccc1)C(=O)N(CCc1ccccc1)C2 |c:2|

Cc1cc(C)c(c(C)c1)S(=O)(=O)n1ccc2ccccc12

Fc1ccc(CN2C(=O)S\C(=C\c3ccc(o3)N3CCOCC3)C2=O)cc1

CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12

Clc1cccc(c1)-c1nnc(SC\C=C\c2ccccc2)n1Cc1ccco1

Cc1ccc(OCC(=O)N2CCN(CC2)c2nnc(-c3ccc(C)cc3)c3ccccc23)cc1

CCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1cccnc1

CCOc1ccc(c(O)c1)-c1nc(N)ncc1Oc1cccc(OC)c1

CC(=O)Oc1oc(nc1\C=N\c1ccccc1)-c1ccccc1

CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1

COC(=O)C1=NN(c2ccccc2)C2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 |t:4,21|

CCCNCCC(c1ccco1)c1ccccc1OC

CC(C)(C)N1CC2(CN(CC(C1)(C2)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O

Cc1cccc(C)c1OCC(O)Cn1nnc2ccccc12

O=C(NN=Cc1ccccc1)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 |w:3.2|

CN(C)c1ncnc2SC3=C(CC(C)(C)CC3=Nc12)NCCCC(O)=O |c:17,t:9|

COc1ccc(cc1)N1C(=O)CSC11C(=O)N2c3c1cccc3C(C)=CC2(C)C |c:28|

COc1ccc(CNC(=O)c2sc(=S)n(c2N)-c2ccc(OC)cc2)cc1

[#6]-[#6]-[#6]-[#6]-c1ccc(-[#7]\[#6]=[#6]-2/[#6](=O)-[#8]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#8]-[#6]-2=O)cc1

COc1cc(C=NNC(=O)c2nc(C)cc(C)n2)ccc1O |w:6.6|

Cc1ccc(cc1)C(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C1(C)C

Cc1c(O)c(CN2CCCCC2)cc2c1oc(=O)c1ccccc21

COc1ccc(cc1)-c1ccc(o1)C1C(C#N)C(=N)Oc2n[nH]c(C)c12

CCOc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1

CCN(CC)C(=S)Sc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O

COC(=O)C1CSc2[nH]c(=O)sc2C1c1ccc(O)c(OC)c1

Cc1cc(=O)oc(C)c1C(=O)Nc1ccc2ncccc2c1

COc1ccc(OCCCC(=O)Nc2cccnc2)cc1

Clc1ccc(cc1)-c1nnc(CSc2nnc(o2)-c2cccs2)o1

FC(F)(F)c1ccc(c(NC(=O)c2ccc(Cl)cc2)c1)-n1cncn1

Clc1cccc(OCC(=O)Nc2ccc(cc2)N2CCOCC2)c1

CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)CC)cc1

Clc1ccc(Cl)c(Oc2ccc(Oc3nc(Cl)ccc3Cl)cc2)n1

Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccc(cc1)C(F)(F)F |c:14|

Cc1cc(NC(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(F)F)cc2)no1

COc1cc(ccc1NC=C1C(C)=C(C#N)C(=O)N(C)C1=O)S(=O)(=O)Nc1ccc(C)cc1 |w:9.9,t:13|

CCCCNC(=S)NN(c1ccccc1)c1ccccc1

Cn1c(c[nH]c1=S)-c1ccc(cc1)-c1ccccc1

CC(C)NC(=O)COc1ncnc2sc(C)c(C)c12

Cc1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)s1

Cc1nc(cs1)-c1c(noc1-c1ccc(O)cc1O)C(F)(F)F

COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1

COc1ccc(cc1)C1=NN(C)\C(SC1)=N\Cc1ccccc1 |t:9|

CC1=CC(C)(C)N2C(=O)C3(c4c2c1cc(C)c4C)C(C#N)=C(N)Oc1cc(O)ccc31 |t:1,23|

FC(F)(F)C1(NC(=O)c2ccc(Cl)cc2)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1

O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2sc3CCCc3c12

OC(=O)c1cccc(c1)S(=O)(=O)N(CC=C)c1ccccc1

Cc1ccc2nc(SCC(=O)N3CCOCC3)[nH]c2c1

O=C(CSc1nc2ccccc2n1CCc1ccccc1)NC1CCS(=O)(=O)C1

COc1cc(CC(=O)NCc2cccs2)cc(OC)c1OC

COc1ccccc1-n1cnnc1SCC(=O)NCc1cccs1

OC(=O)C(=O)C(=C/c1cccc2ccccc12)\c1ccc2ccccc2n1

Clc1ccc(Cl)c(NC(=O)COC(=O)c2ccncc2)c1

CNC(=O)c1sc(nc1C)N1N=C2C(CCCC2=Cc2ccccc2)C1c1ccccc1 |w:18.20,c:12|

COCCn1c(nc2n(CC(C)C)c(=O)[nH]c(=O)c12)-c1ccsc1

Cc1nc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2s1

CC(C)N(CCn1c(=S)[nH]c2ccccc2c1=O)C(C)C

Cc1nc2ccccn2c1P(=S)(N1CCCCC1)N1CCCCC1

O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)NCc1ccccc1

COc1ccc(cc1)C(=O)c1sc(Nc2cccc(OC)c2)c(C(=O)Nc2cccc(C)c2C)c1N

Cc1ccc(CNC(=O)CCC(=O)c2cccs2)cc1

O=C(Cc1cccs1)Nc1nc2c(ccc3ccccc23)s1

COc1ccc2c(C)cc(SCc3c(C)noc3C)nc2c1

CCOC(=O)c1sc(NC(=O)CN(CC(C)C)CC(C)C)c(C(=O)OCC)c1C

CN(C)C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1

O=c1c(CN=Nc2ccccc2)c(Sc2nnnn2-c2ccccc2)nc2ccccn12 |w:4.3|

Clc1ccc(cc1)-n1cc(C(=O)c2cc3ccccc3oc2=O)c(n1)C(=O)c1ccccc1

CN(C)NC(=S)Nc1ccc2nc(-c3ccccn3)c(nc2c1)-c1ccccn1

Cc1ccccc1-n1c(CSC(N)=N)nc2ccccc2c1=O |(2.16,9.46,;2.16,7.92,;.83,7.15,;.83,5.61,;2.16,4.84,;3.49,5.61,;3.49,7.15,;4.83,7.92,;4.83,9.46,;3.49,10.23,;3.49,11.77,;2.16,12.54,;2.16,14.08,;.83,11.77,;6.16,10.23,;7.5,9.46,;8.87,10.28,;10.27,9.49,;10.27,7.88,;8.87,7.09,;7.5,7.92,;6.16,7.15,;6.16,5.61,)|

Cc1sc(NC(=O)C2CCCCC2C(O)=O)c(C(N)=O)c1-c1ccc(cc1)C(C)(C)C

COC(=O)C(NC(=O)c1ccc(OC)cc1)(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(F)(F)F

Cc1ccccc1Cn1cccc1\C=C1/C(=O)N=C2SC=CN2C1=N |c:22,t:19|

COc1ccccc1NC(=O)c1sc2nc(Cc3ccccc3)cc(c2c1N)C(F)(F)F

Brc1ccc(o1)C(=O)NC(=S)NNC(=O)c1cccs1

FC(F)(F)C(=O)Nc1ccccc1C(=O)Nc1ccccc1

CCOc1ccc(cc1OCC)C(CCc1ccccc1)NC(=O)c1ccccc1OC

CC(C)Oc1ccc(cc1)C(=O)O\N=C(/C)c1ccc(C)c(C)c1

Cc1cccc(NC(=O)c2cc(ccc2Cl)S(=O)(=O)c2ccccc2)c1

Cc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl

COc1ccc(\C=C\C(=O)NCc2cn(C)nc2C)cc1COc1ccc(Cl)cc1Br

COc1cc(OC)cc(c1)C(=O)N\N=C\c1ccc(OC)c(COc2ccc(F)cc2)c1

CCCCCNC1=CC(=O)CC(C1)c1ccccc1 |t:6|

Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(=O)Nc1nccs1

CCCNS(=O)(=O)c1cccc(c1)C(=O)NC1CCCc2ccccc12

O=C(Cc1cccc2ccccc12)C(C#N)c1nc2ccccc2s1

Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1Cl)C(=O)Nc1cc(C)cc(C)c1

NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1

Clc1cccc(NN=C(C#N)C(=O)c2ccccc2)c1 |w:7.6|

Clc1ccccc1NN=C(C#N)C(=O)c1ccccc1 |w:8.8|

CCOc1ccc(cc1)C(=O)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1

CCn1c(CCNC(=O)c2ccccc2Cl)n[nH]c1=S

CCOC(=O)c1[nH]c2ccccc2c1NC(=O)Nc1ccc(OC)cc1

CCOc1ccc(cc1)C(=O)NNC(=S)NCC=C

Cc1ccc(CNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)cc1

Cc1nc(Sc2ccccc2)c(cc1-c1ccccc1)C#N

COc1cccc(CSc2nnc(n2Cc2ccc(F)cc2)C(F)(F)F)c1

CCOC(=O)c1cc(C#N)c(Oc2ccccc2OC)nc1-c1ccccc1

CC(=O)c1cc(C#N)c(Oc2ccc(Cl)cc2Cl)nc1C

COc1ccc(Oc2nccc(-c3ccccc3)c2C#N)cc1

Nc1ccccc1Sc1ccccc1C#N

Cc1cccn2c(\C=N\OCc3cccc(F)c3)c(nc12)-c1ccc(Cl)cc1

Cc1cc(n(n1)-c1nc(cs1)C(=O)N\N=C\c1ccc(F)cc1)C(F)(F)F

CN(C)C=Cc1oc(=O)c(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(C)=O |w:4.4|

CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O

Clc1cccc(Cl)c1Cn1cccc(NC(=O)c2c(Cl)cccc2Cl)c1=O

COc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)c(OC)c1

Cc1c(Cl)c(nn1CC(=O)NC1CCCCC1)[N+]([O-])=O

CC(C)(C)c1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1

CC1=NN(C(=O)c2ccc(Br)cc2)C(O)(C1)C(F)(F)OC(F)(F)F |t:1|

Cc1cccc(c1)C(=O)N1C(OC(=O)c2ccccc12)c1ccc2OCOc2c1

CCN(CCO)Cc1csc2cccc(Br)c12

[H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(C(C)C(=O)Nc2cccc(C)c2)C1=O |TLB:6:5:10.9:2,26:9:2:7.5,THB:8:7:10.9:2,11:10:2:7.5|

Cc1cc(C)nc(SCCC(=O)Nc2ccccc2C)n1

CCOC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(C#N)c1C

OC(=O)c1c(CSc2cccc3ccccc23)noc1C(=O)NCC1CCCO1

COC(=O)c1ccc(NC(=O)COC(=O)CSc2nc(C)cc(C)n2)cc1

COc1ccc(cc1)C(N(C(=O)c1ccoc1C)c1cc(C)cc(C)c1)C(=O)NC1CCCC1

COc1ccc(cc1OC)C(N(Cc1cccs1)C(=O)Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1

CC1Cc2ccccc2N1C(=O)CSc1ncnc2n(ncc12)-c1ccccc1C

CCCCCCCCCSc1nnc(N)[nH]1

Cc1ccc(C)c2nc3sc(C(=O)N4CCCc5ccccc45)c(N)c3cc12

Cc1cccc(c1)N=C(N)Nc1nc(C)cc(C)n1 |w:7.7|

COC(=O)C(NC(=O)c1ccc(F)cc1)(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(F)(F)F

CCCCCCCCCOC(=O)C[n+]1csc(CCO)c1C

CNc1nc2[nH]c(=O)c3C(C(C#N)=C(N)Oc3c2s1)c1cccc(F)c1 |t:12|

O=C(CSc1ncc(-c2ccccc2)n1C1CCCC1)N1CCc2ccccc12

Cc1ccc(cc1)N(Cc1ccc(cc1)[N+]([O-])=O)C(=O)c1ccco1

CC1CC(C)CN(C1)C(=O)CSc1nc(Cc2cccs2)nc2ccccc12

[O-][N+](=O)c1ccc(\C=N\NC(=O)CNc2ccccc2)o1

COc1ccc(\C=N\NS(=O)(=O)c2ccccc2)cc1OC(=O)c1ccc(C)cc1

CC(C=Cc1ccccc1)=NNC(=O)CNC(=O)c1ccc2OCOc2c1 |w:10.11,3.3|

CO\N=C\C(C#N)c1ncc(cc1Cl)C(F)(F)F

Cc1cccc(C)c1NC(=O)c1sccc1SCc1cccc(c1)C(F)(F)F

Fc1ccc(cc1)-c1c(cnn1-c1ccccc1)S(=O)(=O)c1ccccc1

CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(CNC(=O)c2ccc(Cl)cc2)cc1

Cc1cc(C)n2nc(\C(=C\c3ccccc3)C#N)c(C#N)c2n1

Cc1ccc(cc1)S(=O)(=O)N1C(COc2ccccc12)c1ccccc1

CN(C)C=Cc1oc(=O)c(NC(=O)c2ccc(Cl)cc2)cc1C(C)=O |w:4.4|

Cc1ccc(cc1)S(=O)(=O)N1C(COc2ccccc12)C(C)(C)C

CSc1nnc(-c2sc(nc2C)-c2ccccc2)n1C

COc1ccc(cc1)C(=O)Nc1cc(C(C)=O)c(C=CN(C)C)oc1=O |w:18.18|

OC(=O)c1cnc(nc1Sc1ccc(Cl)cc1Cl)-c1ccccc1

CN(C)c1ncc(c(n1)-c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1

[O-][N+](=O)c1ccc(cc1)N1CC[C+](CC1)[N-]OC(=O)c1ccccc1

CN(C)C=Cc1oc(=O)c(NC(=O)c2ccc(C)cc2)cc1C(C)=O |w:4.4|

CSc1nnc(C)c(CC=Nc2ccc(C)cc2)n1 |w:10.10|

CC(=O)Nc1ccc(Sc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1

Cc1ccc(Sc2c(C=O)c3ccccc3n2C)cc1

COC(=O)C1=C(C)NC(=O)C1=CNc1ccc(cc1)C(C)C |w:11.12,c:4|

Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C(O)=O

CCCNS(=O)(=O)c1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1

CN1c2ccccc2C(=O)C(C(=S)Nc2ccc(Cl)cc2)S1(=O)=O

COc1ccc(cc1)S(=O)(=O)N(c1onc(C)c1Cl)S(=O)(=O)c1ccc(OC)cc1

FC(F)(F)c1cc([nH]c(=O)c1C#N)-c1ccc(Cl)cc1

Cc1nn(C)c(Cl)c1NC(=O)OCc1ccc(Cl)cc1Cl

O=C(Nc1ccccc1SCC1CSc2nc3ccccc3c(=O)n12)c1ccccc1

COc1ccccc1OCC(=O)NNC(=O)c1cnccn1

[O-][N+](=O)c1ccc(cc1NCc1ccccc1)N1CCOCC1

CC(=O)Nc1ccc(Sc2ncccc2C(=O)Nc2ccc(F)cc2)cn1

OC(=O)c1cnc(nc1Sc1ccc(Cl)cc1)-c1ccccc1

Fc1cccc(Cl)c1CO\N=C\C1C(=O)NC(=O)N(CCNc2ncc(cc2Cl)C(F)(F)F)C1=O

COc1cc(NC(=S)NCc2ccco2)cc(OC)c1

Cc1cc(ccc1NCc1ccccc1)[N+]([O-])=O

Cc1ccc(cc1C)-c1cc(C(=O)NCc2ccccn2)c2ccccc2n1

COC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OC)=C(C)N=C1C |c:22,t:19|

CCCCCCn1c(=O)c(F)cn(Cc2ccc(OC)c(c2)[N+]([O-])=O)c1=O

CC(C)(C)C(=O)NC(=S)NCCc1ccccc1

COc1ccc(cc1)C(N(C(=O)c1sc(C)nc1C)c1ccc(OC)cc1)C(=O)NC1CCCCC1

CCOC(=O)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O

CCOC(=O)c1c(NC(=O)CNCc2ccco2)scc1-c1ccc(OC)cc1

COc1ccc(cc1)C(=O)NC(Oc1ccccc1)C(Cl)(Cl)Cl

CCOC(=O)C(=C/c1ccc2OCOc2c1)\C#N

COc1cccc(CN2CCN(Cc3cc(OC)c(OC)cc3[N+]([O-])=O)CC2)c1

COc1ccc(NC(=O)C(=O)NNC(=O)c2cccs2)c(OC)c1

COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)Sc1ccc(C)cc1

CCOc1cc(C)ccc1OCc1nnc(SCC(=O)c2cccc(c2)[N+]([O-])=O)n1C

Cn1c(COc2ccccc2)nnc1SCC(=O)c1cccc(c1)[N+]([O-])=O

NC(=O)c1ccc(NCc2ccco2)c(c1)[N+]([O-])=O

[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)CCCc1ccccc1

Cc1ccc(OCC(=O)Nc2ccc(cn2)[N+]([O-])=O)cc1C

COc1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3cccnc23)c1

[O-][N+](=O)c1ccc(cc1)N(c1ccccc1)c1ccccc1

Clc1ccc(cc1)-c1nnc(NC(=O)c2ccccc2)[nH]1

COc1ccc(cc1)N1CCN(CC1)C(=O)c1csc2ccccc12

COc1ccc(cc1)C(CC(=O)Nc1ccc(F)cc1)c1ccccc1

COc1cccc(C2CC(=NN2C(=S)Nc2ccccc2)c2cccs2)c1OC |c:9|

[#6]-[#6]-[#7]-1-[#6](=O)\[#6](=[#6]/[#7]-c2ccc(-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)c(Br)c2)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-1=S

Cc1nn(c(C)c1Sc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1cccs1

Cc1ccc(NC(=S)NCc2ccccn2)cc1

CCOC(=O)C(CCCCOc1ccc(cc1)[N+]([O-])=O)C(=O)OCC

COc1ccc(CNc2cc(ccc2OC)[N+]([O-])=O)cc1

[#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1cccc(-[#6])c1

COc1cc(C=O)ccc1OCCOCCOc1ccc(Cl)cc1Cl

[#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]/c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)-[#6](=O)-[#6]1

CCCCC1(C)OC(=O)C(=Cc2ccc(cc2)N(CC)CC)C(=O)O1 |(3.08,-6.34,;4.62,-6.34,;5.39,-5.01,;6.93,-5.01,;7.7,-3.67,;8.47,-5.01,;6.37,-2.9,;6.37,-1.36,;5.03,-.59,;7.7,-.59,;7.7,.95,;9.03,1.72,;9.03,3.26,;10.37,4.03,;11.7,3.26,;11.7,1.72,;10.37,.95,;13.03,4.03,;13.03,5.57,;14.37,6.34,;14.37,3.26,;15.7,4.03,;9.03,-1.36,;10.37,-.59,;9.03,-2.9,)|

COC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1

Fc1cccc(c1)C1CC(=O)N=C(S1)N(c1ccccc1)c1ccccc1 |c:12|

C=CCNC(=S)NN=Cc1ccc(OCc2ccccc2)cc1 |w:7.6|

Cc1ccc(cc1)S(=O)(=O)N\N=C\c1ccc(OC2CSC2)cc1

COc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(C)cc1

Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCc1ccco1

CCOc1cccc(CNc2cccc(c2)C(O)=O)c1OCC=C

COc1ccc(CN(C(C(=O)NC2CCCC2)c2ccc(OC)cc2)C(=O)c2nsc(Cl)c2Cl)cc1

COc1cccc(c1)C1(CC1C(=O)Nc1ccccc1Cl)c1cccc(OC)c1

CCCC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(OCC)cc1

CCCCc1ccc(NC(=S)Nc2cccnc2)cc1

CC(C)NC(=S)NC(=O)c1ccc(cc1)-c1ccccc1

Cc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2Br)cc1

COc1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)c(OC)c1

CN(C)c1nc(NCc2ccccc2)nc(SCC(=O)Nc2ccccc2Cl)n1

CC(C)c1ccc(NC(=S)NN2CCOCC2)cc1

N#C\C(=C/C=C/c1ccccc1)c1nc(cs1)-c1ccc2OCOc2c1

Clc1ccc(CNC(=S)Nc2ccc3OCOc3c2)cc1Cl

O=C1CC(SC(=N1)N(c1ccccc1)c1ccccc1)c1ccccc1 |c:5|

COc1cc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c(OC)cc1Cl

Oc1ccccc1C(CC(=O)NCc1ccccc1Cl)c1ccccc1

Oc1nc(N=NC=CCc2ccccc2)sc1CC(=O)Nc1ccc(Cl)c(Cl)c1 |w:4.3,6.5|

COc1ccc(OC(C)C(=O)ON=C(N)c2ccc(OC)c(OC)c2)cc1 |w:12.11|

CN(C(=O)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)c1ccccc1

Cc1cc(C)c(NC(=O)C(=C\c2ccccc2)\c2ccccc2)c(C)c1

COc1ccc(OC2C(N(Cc3ccc(F)cc3)C2=O)c2cc(OC)c(OC)c(OC)c2)cc1

[O-][N+](=O)c1cccc(c1)C(=O)NCCCc1ccccc1

[O-][N+](=O)c1cccc(NC(=O)CSCC(=O)Nc2ccccc2)c1

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

CCCCOC(=O)c1ccc(NC(c2ccc(C)cc2)P(=O)(OC)OC)cc1

Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C[NH+]=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |w:15.16|

CCOC(=O)C(O)(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1)C(F)(F)F

CCOC(=O)C(NC(=O)CC(C)C)(Nc1sc(C)c(CC)c1C#N)C(F)(F)F

CC(=O)N1N=C(C)CC1c1ccc(OCc2ccccc2)cc1 |t:4|

CC(=NNC(=O)c1cc(Cl)ccc1O)c1ccc(Br)s1 |w:2.2|

Cc1ccc(CSC(=Nc2ccc(F)cc2)C(C#N)C#N)cc1 |w:8.8|

COc1cc(C=C(C#N)c2nc3ccccc3c(=O)[nH]2)ccc1O |w:5.4|

COc1cccc(c1)C(=O)Cc1nc2ccc(cc2[nH]c1=O)C(=O)NCCc1ccc(Cl)cc1

COC(=O)CN1C(c2ccccc2)c2cc(Cl)ccc2N=C1c1ccc(Cl)cc1 |c:22|

Oc1ccc(\C=C2/SC(=S)N(Cc3cccnc3)C2=O)cc1

[O-][N+](=O)c1ccc(cc1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1

CSc1ccc(\C=C(\NC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(F)c2)cc1

CCOc1ccc2nc(N=Cc3nc(oc3O)-c3ccc(Br)cc3)sc2c1 |w:9.8|

Oc1ccc(\C=C2/S\C(=N\c3nccs3)N(CC=C)C2=O)cc1

CC(=O)NC(Cc1cccc(C)c1)C(=O)NC1CCN(CC1)c1ncccc1[N+]([O-])=O

CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2)s1 |w:21.21|

COc1ccc(CCn2c(nc3n(C)c4ccccc4c(=O)c3c2=O)C(C)C)cc1

CC(=O)NC(Cc1ccc(C)cc1)C(=O)NC1CCN(CC1)c1ncccc1[N+]([O-])=O

CCCCCCc1cc2cc(C(=O)Nc3cccc(OC)c3)c(=O)oc2cc1O

CCCCCC(=O)NC(=S)NNC(=O)c1ccc(cc1)[N+]([O-])=O

[O-][N+](=O)c1ccc(cc1)-c1cc(=O)n2[nH]c(cc2n1)-c1ccc(F)cc1

Cc1cc(O)c(C2=Nc3ccccc3SC(C2)c2ccc(Cl)cc2)c(=O)o1 |t:6|

COC(=O)c1nc2[N-]C(C)=C(C(c3ccc(cc3)[N+]([O-])=O)n2[nH+]1)C(=O)Nc1ccc(Cl)cc1 |c:9|

COc1ccc(CC(=O)O[N-]C(=[NH2+])c2cccc(c2)[N+]([O-])=O)cc1

CC(C)CC1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cc(C)cc(C)c1)C2=N |c:9,t:4|

CCOc1ccc(cc1)-n1c(SCc2ccc(cc2)[N+]([O-])=O)nnc1-c1ccc(OC)cc1

COc1ccccc1Nc1nc(N)nc(CSC(=S)N2CC(C)CC(C)C2)n1

CC(C)Cc1csc(NC(=O)c2ccc(Cl)cc2)c1C(O)=O

COc1ccc(cc1)-c1csc(NC(=O)CSc2nc(SC)ns2)n1

Clc1cccc(Cl)c1CN1C(=O)C(N=O)c2ccccc12

CC(NC(=O)CC(c1ccccc1)c1cc(Cl)ccc1O)c1ccccc1

FC(F)(F)C1(NC(CCC2CCCCC2)=Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)C(F)(F)F |c:15|

COc1ccc(cc1OC)C(=O)ON=C(N)Cc1ccc(Cl)c(Cl)c1 |w:13.13|

Oc1n(-c2ccccc2)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1

Fc1ccc(CSc2ccccc2C(=O)NCCOc2ccccc2F)cc1

Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(cc1)[N+]([O-])=O

CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O

COc1ccc(OC2C(N(C2=O)c2cc(C)ccc2C)c2ccc(OC)c(OC)c2)cc1

[#8]-[#6](=O)-c1ccc(-[#6]-[#8]-c2ccccc2\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1

COc1ccc(cc1)C(=O)c1sc2nc(C)cc(-c3cccs3)c2c1N

[O-][N+](=O)c1cccc(COc2ccccc2C(=O)Nc2ccccc2)c1

Cc1cc(OC(=O)c2cccs2)c2c3CCCCc3c(=O)oc2c1

CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1

CC(C(=O)Nc1ccc2OCCOc2c1)c1ccc(cc1)[N+]([O-])=O

COc1ccc2CCc3sc(N=Cc4ccc(O)cc4)nc3-c2c1 |w:11.10|

COc1cc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)c(cc1OC)C(O)=O

Cc1nnc(SCC(=O)N2c3ccccc3C(C)(CC2(C)C)c2ccc(C)cc2)s1

Cc1ccc(cc1C)N(C(C(=O)NC1CCCCC1)c1ccccn1)C(=O)Cn1nnc(n1)-c1ccccc1

CCCCCCc1cc2cc(C(=O)Nc3ccccc3OC)c(=O)oc2cc1O

CCOC(=O)C(\C#N)=C(/C)\C=C1/Sc2ccccc2N1CC

Clc1ccc(Cc2cnc(s2)N2C(=O)c3ccccc3C2=O)cc1

Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCCCC1

Cc1cc(C)nc(SCc2nnc(SCc3ccc(cc3)[N+]([O-])=O)n2Cc2ccco2)n1

Cc1cc2=C(NNC(=O)C3CC3c3ccccc3)C(=O)N=c2cc1Br |c:3,22|

O=[#6]-1\[#6](=[#6]/c2cccs2)-[#6](=O)-c2ccccc-12

CC1=CC(C)(C)N(C(=O)CSc2nnc(N)s2)c2ccccc12 |t:1|

Cc1cccc(N(C(C(=O)NC2CCCC2)c2ccc(O)cc2)C(=O)c2nsc(Cl)c2Cl)c1C

Cc1ccc(cc1C)N(C(C(=O)NC1CCCC1)c1ccc(O)cc1)C(=O)c1nsc(Cl)c1Cl

Cc1cc(C)cc(c1)N(C(C(=O)NC1CCCC1)c1ccc(O)cc1)C(=O)c1nsc(Cl)c1Cl

OC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2)c1

CCCCCC(=O)NNC(=O)c1ccc(F)cc1

COc1ccc(CN(C2CCCCC2C)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(C)C)cc1OC

CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCSc1ccccn1

COc1ccc([CH-]\N=[NH+]\c2ccc(cc2S(=O)(=O)N2CCN(C)CC2)[N+]([O-])=O)cc1

CCc1nnc(NS(=O)(=O)c2ccc(cc2)N=Cc2c(C)[nH]n(-c3cccc(Cl)c3)c2=O)s1 |w:16.16|

CCN1\C(Sc2ccccc12)=C1/SC(=S)N(Cc2ccccc2)C1=O

[#6]-[#8]-c1ccc(cc1Cl)-[#7](-[#6]-[#6](=O)-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1)S(=O)(=O)c1ccccc1

CC(=O)N(Cc1ccco1)c1nc(C(=O)Nc2ccc(Cl)cc2)c(C)s1

CSCCC(NC(=O)c1ccccc1)C(=O)NN=C(C)c1ccccc1 |w:17.17|

CC(N(C)C)c1ccccc1C(O)(c1ccccc1)c1ccccc1

COc1ccc(cc1NCc1ccccc1)[N+]([O-])=O

CC1(C)CC(=O)C2=C(C1)OC(=[NH2+])[C-](C#N)C2c1cc2OCOc2cc1[N+]([O-])=O |c:6|

Cc1ccc(cc1)N=C(N)Nc1nc(C)cc(C)n1 |w:7.7|

NC(=NOCC(=O)Nc1ccccc1)c1nonc1N |w:2.2|

CCC(=O)N(Cc1c(C)nn(c1Cl)-c1ccccc1)c1ccc(Cl)cc1

COc1ccc(CCNC(N)=S)cc1OC

CC(=O)Nc1ccccc1Sc1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(C)cc1

Cc1nn(C)cc1C(N(C(=O)Cc1cccs1)c1ccc(Cl)cc1)C(=O)NC1CCCCC1

Cc1c(Cl)c(nn1CCCC(=O)Nc1cc(Oc2ccccc2)cc(c1)[N+]([O-])=O)[N+]([O-])=O

CCOC(=O)C(=CC=C1Sc2ccccc2N1CC)C(C)=O |w:7.6,5.20|

Cc1nc2ccccc2nc(C)c1=NOCc1ccccc1Cl |(9.72,1.22,;10.68,.02,;12.18,.36,;13.38,-.6,;14.76,.22,;16.16,-.57,;16.16,-2.17,;14.76,-2.97,;13.38,-2.14,;12.18,-3.1,;10.68,-2.76,;9.72,-3.96,;10.01,-1.37,;8.47,-1.37,;7.7,-.04,;6.16,-.04,;5.39,1.3,;6.16,2.63,;5.39,3.96,;3.85,3.96,;3.08,2.63,;3.85,1.3,;3.08,-.04,)|

COCCCn1c(C)c(cc1-c1ccc(OC)cc1)C(=O)NC1CCCCCCC1

OCC[n+]1ccc(\C=C\c2c[nH]c3ccccc23)cc1

COc1ccc(\C=C2\CC\C(=C/c3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC

Cc1ccc(cc1)C(=O)NN=C(CC(=O)c1cccs1)C(F)(F)F |w:10.10|

COc1ccc(\C=c2/s\c(=C\C(=O)c3ccc(C)cc3)[nH]c2=O)cc1OC

COc1ccc(\C=c2/s\c(=C\C(=O)c3ccc(C)cc3)[nH]c2=O)c(OC)c1

[#6]-[#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)ccc1-[#8]-[#6]-[#6](=O)-[#7]-c1ccc(-[#6])cc1

[O-][N+](=O)c1cc(Br)c(OC(=O)c2cccnc2)c(Br)c1

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNC(N)=S |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

CCCCNC(=O)CCn1c(=O)n(Cc2ccccc2C)c2ccccc2c1=O

Cc1cc(C)cc(NS(=O)(=O)c2ccc3ncc(C(=O)N4CCc5ccccc45)c(O)c3c2)c1

COC(=O)c1ccc2O\C(=C/c3ccc(O)cc3)C(=O)c2c1

COc1ccc(NC(=O)C(N(C)c2ccccc2)c2cc3OCOc3cc2[N+]([O-])=O)cc1

Cc1nc2cc(ccc2n1-c1ccc(Br)cc1)C(=O)NCc1ccc2OCOc2c1

CCOc1ccc2nc(N=Cc3nc(oc3O)-c3ccccc3)sc2c1 |w:9.8|

Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NNC1=c2ccccc2=NC1=O)c1ccc(C)c(C)c1 |c:17,24|

COc1ccc(NC(=S)N2CCC(CC2)N(C)CCN2CCOCC2)cc1Cl

Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=N\c1ccccc1C

Clc1ccc(NCc2nn(CC(=O)c3ccc(Br)cc3)c3CCCCC[n+]23)cc1

CCc1nc2n(C)c3ccccc3c(=O)c2c(=O)n1C1CCCCCC1

Cn1c2ccccc2c(=O)c2c1nc(C1CCCCC1)n(C1CCCCCC1)c2=O

Cc1ccc(cc1)-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1

Cn1c2c(O)c([nH]c2c(=O)n(C)c1=O)-c1ccccc1Cl

CCCN1C(Nc2ccccc2C1=O)c1ccc(OC)c(CSc2ccccn2)c1

COc1ccc(cc1CSc1ccccn1)C1Nc2ccccc2C(=O)N1c1ccccc1

Clc1ccc(cc1)-c1nnc(NCc2ccccc2)c2ccccc12

COc1ccc(cc1OC)C(=O)c1sc2nc(C)cc(-c3cccs3)c2c1N

FC(F)(F)c1cccc(NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)c1

CCOC(=O)C(C)(C)N(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O

CC(C)Cc1csc(NC(=O)c2ccc(F)cc2)c1C(O)=O

Cc1nn(c(C)c1C=Nn1c(n[nH]c1=S)-c1ccccc1C)-c1ccccc1 |w:8.9|

Cc1cccc2cc(\C=N\NC(=O)c3ccccc3O)c(Cl)nc12

Cc1cccc2c(CCNC(=O)c3ccc(cc3)[N+]([O-])=O)c[nH]c12

COc1ccc(cc1)-c1nc2n(C)c3ccccc3c(=O)c2c(=O)n1Cc1ccccc1

Cn1c2ccccc2c(=O)c2c1nc(-c1ccco1)n(C1CCCCC1)c2=O

CCOc1ccccc1\C=C(\NC(=O)c1ccccc1)C(=O)NC(C)c1ccccc1

CC1(C)C(=O)OC(c2cccn2-c2ccc(cc2)[N+]([O-])=O)C2(CCCCC2)C1=O

CCOC(=O)c1c(NC(=O)C(=C\c2ccc(O)c(OC)c2)\C#N)scc1-c1ccc(C)cc1

Cc1cc(-c2cccs2)c2c(N)c(sc2n1)C(=O)c1ccc2OCOc2c1

ClCCCC(=O)Oc1ccc2cc(-c3ccc4ccccc4n3)c(=O)oc2c1

Cc1ccc(cc1)-c1c[n+](CC(=O)Nc2nc(cs2)-c2ccc(F)cc2)c2CCCn12

CCCC1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cc(C)cc(C)c1)C2=N |c:8,t:3|

Cc1nc(C)c(s1)C(=O)Cc1nc2cc(C)ccc2oc1=O

CC(C)C(NC(=O)c1ccc2OCOc2c1)C(=O)NN=Cc1c(C)n(C)c2ccccc12 |w:19.20|

Nc1nonc1-n1nnc(C(=O)N\N=C\c2ccccc2)c1CSc1ccc(Cl)cc1

COC(=O)c1c(C)c(C)sc1NC(=O)CN1CCC2(O)CCCCC2C1c1ccccc1OC

CCC(CC)C1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cccc(C)c1)C2=N |c:10,t:5|

Fc1cccc(c1)N=C(NC#N)SCc1ccccc1 |w:7.7|

Fc1cccc(c1)N=C(NC#N)SCc1ccccc1F |w:7.7|

CC1CC1c1ccc(\C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)o1

Cc1onc(c1C(=O)NNC(=S)NC(=O)\C=C\c1ccccc1)-c1ccccc1

Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3N(Cc4ccccc4)CCCc3c2)C1=O |w:14.15|

COc1ccc(cc1OC)C(c1ccc(C)o1)c1ccccc1

CCOC(=O)c1ccc(NC(=S)N2CCSC2c2ccc(Br)cc2)cc1

CC(C)CC1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cccc(C)c1)C2=N |c:9,t:4|

CN1C(c2nnnn2-c2ccccc2)c2ccccc2CC1(C)C

CCCCCCCC[N+](C)(C)CC#C

Fc1ccc(cc1)C1=NC(c2c(N1)n(-c1ccc(F)cc1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:8|

CCc1ccc(OCCOCC(O)CNC(C)(C)C)cc1

CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1

CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1

[H]C12CC(C)(CN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc(cc1C(=O)OCC)[N+]([O-])=O)CC(C)(C)C2 |TLB:7:6:2:33.32.36|

Fc1ccc(CNC(=O)C(=O)NCC2OCCN2C(=O)c2ccc(Cl)cc2)cc1

CCOC(=O)c1ccc(NC(=S)N2CCSC2c2ccc(Cl)cc2)cc1

CC(=O)Nc1ccc(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)cc1

Clc1cc(C(=O)Nc2nnc(o2)-c2ccccc2)c(Cl)s1

CN1CCN(CC1)\N=C\c1nc(-c2cccc(c2)[N+]([O-])=O)n2ccccc12

CC(=O)c1ccc(NC(=O)CSc2ccc(nn2)-c2ccc3OCOc3c2)cc1

Clc1ccc(cc1)C1CC(=O)N=C(S1)N(c1ccccc1)c1ccccc1 |c:12|

COc1ccc(cc1OC)-c1nn(cc1\C=C(/C#N)S(=O)(=O)c1ccccc1)-c1ccccc1

Cc1ccc(cc1C)C(=O)Nc1nnc(o1)-c1ccco1

Cc1cccc(CSc2ccc3nnc(-c4cccs4)n3n2)c1

CCCCCCc1cc2cc(c(=O)oc2cc1O)S(=O)(=O)c1ccc(F)cc1

CCN(CC)C(=O)Cn1c2c(sc(=S)n2c2ccccc2c1=O)-c1cccc(C)c1

COCCNC(=S)N1CCc2cc(OC)c(OC)cc2C1COc1ccc(cc1)C(C)C

Clc1ccc(cc1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1

Brc1ccc(CN2CCc3c(OCC(=O)NCc4ccco4)cccc3C2=O)cc1

Cc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(N1CCCCC1)c1ccccc21

COCCNC(=S)N1CCc2cc(OC)c(OC)cc2C1COc1cc(C)cc(C)c1

Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1

Fc1ccccc1CNC(=S)Nc1ccc(Cl)cc1

Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC1CCCc2ccccc12

Cc1cc(C)nc(SCc2ccc(cc2)C(=O)NNC(=O)Nc2cccc(Cl)c2)n1

FC(F)(F)c1cccc(c1)C1=CS\C(N1CC=C)=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 |t:11|

Cc1cccc(c1C)-n1c(SCC(=O)N2CC(=O)Nc3ccccc23)nc2ccccc2c1=O |(4.52,-3.56,;5.85,-4.33,;5.85,-5.87,;7.18,-6.64,;8.52,-5.87,;8.52,-4.33,;7.18,-3.56,;7.18,-2.02,;9.85,-3.56,;9.85,-2.02,;8.52,-1.25,;8.52,.29,;7.18,1.06,;5.85,.29,;7.18,2.6,;8.52,3.37,;8.52,4.91,;9.85,5.68,;7.18,5.68,;5.85,4.91,;4.47,5.74,;3.08,4.94,;3.08,3.34,;4.47,2.55,;5.85,3.37,;11.19,-1.25,;12.52,-2.02,;13.9,-1.19,;15.29,-1.99,;15.29,-3.59,;13.9,-4.38,;12.52,-3.56,;11.19,-4.33,;11.19,-5.87,)|

Fc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1CC(=O)OCC(=O)Nc1ccccc1

COc1ccccc1NC(=O)C(=C\c1cc(ccc1N1CCCC1)[N+]([O-])=O)\C#N

[#6]-[#8]-c1ccccc1-[#7]-1-[#6](-[#6])=[#6]\[#6](-[#6]=[#6]-1-[#6])=[#6](\C#N)-c1nc2ccccc2s1 |c:11,14|

CCN(CC)c1ccc(\C=C2/CCC(\C=N\NC(=O)c3ccc(=O)n(C)c3)=C2N2CCOCC2)cc1 |c:27|

COc1ccc(Cl)cc1NC(=O)CNc1ccccc1F

Cc1cc(nc2ccccc12)-c1ccc(cc1)N1CCOCC1

COc1ccc(Cl)cc1NC(=O)C(C)NC(c1ccccc1)c1ccccc1

[O-][N+](=O)c1cc(ccc1Cl)C(=O)NC(Cc1ccccc1)c1nc2ccccc2[nH]1

[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-c1ccc(F)cc1F)=[#6](/C#N)-c1nc2ccccc2s1 |t:1,4|

[H]C12CC([H])(C(\C=N\NC(=O)c3ccccc3O)=CC1)C2(C)C |c:18,THB:6:5:20:2|

COc1ccccc1Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCCC1

Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1

O=C(N(c1ccccn1)c1ccccn1)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1

COc1ccc(cc1)C1N(Cc2ccccc2)CC(=O)N1N=C(C)c1ccccc1 |w:21.23|

Cc1ccc(C)c2sc(NC(=O)c3ccc(cc3)-n3c(O)ccc3O)nc12

CC(C)c1cc(cc(C(O)=O)c1O)N1CCC(=O)NC1=O

Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccccc1C(O)=O)c1cccc(Cl)c1C

Oc1ccc2Sc3ccccc3CC(=O)c2c1

Nc1[nH]c(=O)sc1C=C1C=CC(=O)C=C1 |c:10,14,(4.76,4.28,;5.91,3.25,;7.41,3.57,;8.18,2.24,;9.72,2.07,;7.15,1.09,;5.75,1.72,;4.41,.95,;4.41,-.59,;5.75,-1.36,;5.75,-2.9,;4.41,-3.67,;4.41,-5.21,;3.08,-2.9,;3.08,-1.36,)|

Cc1cccc(c1)C(=O)NC(=S)NNC(=O)COc1c(C)cccc1C

COc1ccc(NC(=O)c2c(F)cccc2F)cc1S(=O)(=O)Nc1ccc(Br)cc1

Cc1nc2nc(SCC(=O)c3cccc(c3)[N+]([O-])=O)[nH]c2cc1Br

Clc1ccc(CNC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1

[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/[#6]-[#6]=[#7]-c2ccccc2)-[#6]-1=O |w:12.12|

Fc1cccc(NC(=O)c2coc(=O)c(Br)c2)c1

Cn1c2c(O)c([nH]c2c(=O)n(C)c1=O)-c1ccccc1

COc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1NCc1ccc2OCOc2c1

Cc1ccc(cc1C)-n1c2ccc(cc2cc2c1nc(=O)[nH]c2=O)[N+]([O-])=O

O=C(Nc1nc(cs1)-c1ccccc1)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1

Cc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)C(=S)NC(=O)c1cccc(C)c1

[H]C12CCN(CC1)C1C(N(N=C21)C(C)=O)c1cccc2ccccc12 |t:11,TLB:8:7:2.3:6.5,THB:10:11:2.3:6.5|

CC(N(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)c1ccccn1)c1ccco1

COc1ccccc1NS(=O)(=O)c1ccc(N=NCc2c(C)nn(c2N2CCCC2)-c2ccccc2)c(c1)[N+]([O-])=O |w:17.18|

CC(Oc1ccc(cc1)C(=O)c1ccccc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O

Cc1cccc(NC(=O)CSc2nc3n[nH]cc3c(=O)[nH]2)c1C

CCOc1cc(\C=N/NC(=O)C2C(CNC2=O)c2ccccc2)ccc1OC

[O-][N+](=O)c1ccc(cc1)S(=O)(=O)c1cnc(NC(=O)c2cccc3ccccc23)s1

Clc1ccc(cc1)-n1[nH]c(=O)nc1-c1ccccc1

ClC(Cl)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)[nH]1

Cn1c(N)c(C(=O)COC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O

Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cccc2c1oc(-c1ccccc1)c(C)c2=O

CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C\c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)c1=O

CC(=O)c1ccccc1NC(=O)Cn1c2ccccc2ncc1=O

[H]C12CC3([H])CC(Br)(C1)CC(CC(=O)OCC(=O)NCc1ccc(cc1)C(=O)OC)(C2)C3 |TLB:5:3:30:6.9.8,THB:7:6:30:3.31.2,2:3:9:1.30.8,5:6:30:3.31.2|

COc1ccc(cc1CSc1nnc2c(Cl)cc(Cl)cn12)C(C)=O

CC(C)CN(CC(C)C)C(=S)NC1CCCCC1

CN1\C(=C/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)C(C)(C)c2ccccc12

CCC(C(=O)Nc1ccc(CC)cc1)c1ccccc1

CC(C)Cn1c(SCC(=O)N2CCc3ccccc3C2)nc2cc(Cl)ccc2c1=O

CN1\C(SC=C1c1ccc(F)cc1)=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 |c:4|

CC(C)CC(NC(=O)c1ccccc1)C(=O)N\N=C\c1ccco1

O=C(NC1CCCCC1)C(=C\c1cccn1-c1ccccc1)\C#N

[O-][n+]1ccccc1SC(C(=O)Nc1cc(ccc1Cl)C(F)(F)F)c1ccccc1

O=C(Nc1ccc(cc1)C(=O)Oc1ccccc1)c1ccco1

Cc1csc(NC(=O)Cc2ccccc2[N+]([O-])=O)n1

CN1\C(=C/C=C(\C#N)C(=O)Nc2ccccc2F)C(C)(C)c2ccccc12

C\C(CN1CCC(CC1)C(=O)N1CCCCC1)=C/c1ccccc1

Nc1ccc(\C=C\C(=O)c2ccco2)cc1

CCOc1ccccc1\N=C1/SC(CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1CCC1=CCCCC1 |t:35|

CC1(CCCCC1)C(=O)NC(=S)NNC(=O)c1ccncc1

O=C(NC(=S)NCC1CCCO1)C(c1ccccc1)c1ccccc1

CN1C(=O)NC(SC1=C(C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)(c1ccccc1)C(F)(F)F |w:7.6|

CC(C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)N1N=C(CC1c1ccco1)c1ccc(Cl)cc1 |c:23|

Cc1cc(C)c(NC(=O)c2ccc(CNS(=O)(=O)c3cc(ccc3Cl)C(F)(F)F)cc2)c(C)c1

CCOC(=O)C(=NNc1ccc(cc1)C(C)=O)c1csc(Nc2ccccc2)n1 |w:6.6|

CC1=C(C(\C=C\c2ccccc2)N2C(=O)CCSC2=N1)C(=O)OCc1ccccc1 |c:20,t:1|

CC(NC(=O)c1ccccc1Br)c1cc(C)ccc1C

CN(C)c1ccc(NC(=O)COC(=O)Cn2nnc3ccccc23)cc1

Cc1ccccc1NC1=NC(=S)N(c2ccccc2)C11CCCCC1 |t:9|

COc1ccc(cc1OC)C1=C\C(=C\c2cccnc2)C(=O)O1 |t:11|

CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Oc2ccc(cc2)C(=O)c2ccccc2)cc1

[O-][N+](=O)c1cccc([CH+][N-]NC2=NCCCCC2)c1 |t:11|

COc1cc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)cc1[N+]([O-])=O

Cc1ccc(cc1)-n1nnnc1SCC(=O)Nc1cccnc1Cl

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cc(C)ccc3C)c2c1

O=C(C(c1ccccc1)c1ccccc1)N1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

COc1ccc2c(C)cc(SCn3nnc4ccccc4c3=O)nc2c1

Cc1cccc(c1)N=Cc1[nH]c2ccc(Br)c(Cl)c2c1O |w:7.7|

Fc1ccc(cc1F)S(=O)(=O)Nc1cccc(c1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1

Fc1ccc(cc1)-c1cc(nc(SCC(=O)c2cccs2)c1C#N)C1CC1

CCCn1c(SCC(=O)N2CC(=O)Nc3ccccc23)nc2ccccc12

CCC(C)c1ccc(NC(=S)Nc2ccc(OC)cc2)cc1

CN(C)c1cccc(c1)C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1

Clc1ccc(cc1)-c1nnc(SCC(=O)OCC(=O)Nc2ccc(cc2)C#N)o1

O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc2ccccc12

Oc1ccc(cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)S(=O)(=O)N1CCCCC1

CCOc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(cc1)N1CCOCC1

Cc1ccc2cccc(Oc3ncnc4scc(-c5ccccc5)c34)c2n1

Cc1nn(-c2cccc(Cl)c2)c2nc([nH]c(=O)c12)C(F)(F)F

COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC(C)c1ccccc1

Cc1nn(c(Cl)c1\C=C\C(=O)c1ccc(O)cc1)-c1ccccc1

Oc1c(C=NNC(=O)c2ccncc2)c2ccccc2c(=O)n1-c1ccc(Cl)cn1 |w:4.4|

Clc1ccc(Cl)c(SCC(=O)OCC(=O)NCc2ccc3OCOc3c2)c1

Fc1ccc(cc1)C1(CCCC1)C(=O)OCC(=O)NCc1ccc2OCOc2c1

COCCOC(=O)C(=Cc1ccc(OC(=O)c2ccccc2)cc1)C(C)=O |w:8.8|

COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Cl)cc1Cl

Cc1nn(c(N)c1Sc1ccc(cc1)[N+]([O-])=O)-c1ccccc1

Cc1cc(C)c2nc(NC(=O)c3ccc4c(c3)nc3CCCCCn3c4=O)sc2c1

CCOC(=O)c1sc(cc1NC(=O)Nc1ccccc1OC)-c1ccc(F)cc1

C\C(=N/OCC(=O)Nc1ccc(F)c(F)c1F)c1cc2ccccc2o1

O=C(COc1ccccc1C(=O)c1cnn(c1)-c1ccccc1)Nc1ccc2ccccc2c1

Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(Cl)cc1Cl

Cc1ccc(cc1)C(=O)N\C(=C/c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)C(=O)NC1CCS(=O)(=O)C1

CCOc1ccc(\C=N\OCC(=O)NC(c2ccccc2)c2ccccc2)cc1

Cc1ccc(cc1)-c1sc(nc1CC(=O)Nc1ccccc1F)-c1ccccc1

CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1

COc1ccc(CNC(=O)C2(CC2)c2ccc(Cl)cc2)cc1

CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C=Cc1ccc(Cl)cc1 |w:18.18|

CCCn1nc(C(=O)Nc2ccc3nc(C)sc3c2)c2ccccc2c1=O

CC(C)CC1(C)NC(=O)N(CC(=O)c2cc(C)n(c2C)-c2ccc3OCOc3c2)C1=O

Brc1ccc(cc1)N(C(=O)CSc1ccccc1)c1nccs1

CCOCCCn1c(SCc2nc3ccccc3s2)nc2ccccc2c1=O

CC1(C)CS\C(=N/Cc2ccccc2)N1C(=O)c1cccc(c1)[N+]([O-])=O

FC(F)Oc1ccc(cc1)C(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1

Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccc(cc3)C#N)c2c1C

COc1ccc(cc1OC)-n1c(O)c(C=NNS(=O)(=O)c2cc(C)ccc2C)c2ccccc2c1=O |w:15.16|

CCOC(=O)c1c(NC(=O)C(C)Sc2cccc[n+]2[O-])sc2CN(Cc3ccccc3)CCc12

Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1

COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)c2)cc1

CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1

CC(OC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccco1)C(=O)Nc1ccc(Cl)cn1

Cc1nn(c(N2CCCC2)c1CN=Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)-c1ccccc1 |w:12.13|

Cc1nn(c(N)c1Sc1ccccc1[N+]([O-])=O)-c1ccc(C)cc1

CC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1 |w:2.2|

Oc1ccc(cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)S(=O)(=O)N1CCCCC1

COc1ccc(CN(C)Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1OC

COc1ccc(NC(=O)CCCC2CCCCC2)cc1S(=O)(=O)N1CCCCC1

COc1ccc(cc1OC)-n1c(O)c(C=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2c1=O |w:15.16|

CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1

CCN(C(C)C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1

CC1(NC(=O)N(N=Cc2c(O)ccc3ccccc23)C1=O)c1ccc(OC(F)F)cc1 |w:6.5|

Cc1ccc(cc1)-n1c(Cl)c(Cl)[nH]c(=O)c1=O

COc1ccccc1C1C2=C(N=c3s\c(=C\c4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2 |c:10,t:12|

CCOC(=O)C1=NN(C(=O)c2ccccc2)C(O)(C1)c1ccc(C)cc1 |t:5|

ONC(=N)Cc1ccccc1Sc1ccccc1

Cc1cc(ccc1NC1CCCC1)[N+]([O-])=O

[H]C12[#6]-[#6]C([H])([#6](-[#6]1-[#6](-[#8])=O)-[#6](=O)-[#7]-c1sc(-[#6])c(c1-[#6](-[#7])=O)-c1ccc(cc1)-[#6](-[#6])-[#6])\[#6]2=[#6](\[#6])-[#6] |TLB:11:6:32:3.2,THB:8:7:32:3.2|

COc1cc(\C=N\c2c(C)cc(C)cc2C)ccc1OC(C)=O

Cc1onc(c1C(=O)N\N=C\c1cc(Br)c(Br)o1)-c1ccccc1

COc1ccc(cc1)N=C(N)SCc1ccccn1 |w:8.8|

COC(=O)c1sc(NC(=S)NC(=O)c2cccc(C)c2)nc1C

CCOc1ccc(cc1)N=Nc1c2[nH]c3CCCCc3c(=O)n2[nH]c1=O |w:10.11|

Cc1cc(nc(N)n1)N1CCCCC1

C1COCCOCCOc2ccccc2OCCOCCOCCOc2ccccc2OCCOCCO1

C1COCCOc2ccccc2OCCOCCOCCOc2ccccc2OCCOCCO1

COc1ccc(cc1)C(=O)[C-](\N=[NH+]\c1ccccc1[N+]([O-])=O)C#N

COC(=O)Cc1ccc(NC(=S)NCCC(C)C)cc1

Cc1c(CC(Cl)(Cl)Cl)c2c(CC(C)(C)CC2=O)n1O

c1c(nn2c(ccnc12)-c1ccccn1)-c1ccccc1

C(N1CCCCC1)c1csc2ccccc12

COc1cc2COC(=O)c2c(O)c1

CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(O)=O)cc2)cc1

CN1CCN(CC1)S(=O)(=O)c1ccc2CCN(C(C)=O)c2c1

Cc1cccc2cc(C(=O)NN=Cc3ccc(O)cc3)c(C)nc12 |w:11.10|

[O-][N+](=O)c1ccc(Sc2ccccc2)nc1

Cn1nc(nc1Oc1ccc(cc1)C(C)(C)C)[N+]([O-])=O

COc1ccccc1N1CCN(CC1)C(=O)\C=C\c1cccs1

Fc1cccc(NC(=S)NCc2ccc(Cl)cc2)c1

CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)n1

CC(C)CN(CC(C)C)C(=O)CCCC(=O)N(CC(C)C)CC(C)C

Nc1nn(cc1-c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1

[O-][N+](=O)c1ccc(CC(=[NH2+])[N-]OC(=O)c2ccc(Br)cc2)cc1

NC(=NOC(=O)COc1ccc(Br)cc1)c1ccncc1 |w:2.2|

NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)c(F)c2)cc1

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(Br)c2)c(C)n1C |w:4.3|

COc1ccc(cc1)-n1c(C)cc(\C=C2\SC(=S)N(C)C2=O)c1C

BrCC1CNc2nc3ccccc3c(=O)n12

CC1CC(C)(C)N(C(=O)CN2CCN(C)CC2)c2ccc(C)cc12

Nc1ncnc(NNC(=O)CNC(=O)c2c(F)cccc2Cl)c1[N+]([O-])=O

Brc1cccc(OCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1

COC(=O)C(=C/c1cc2cc(C)c(C)cc2[nH]c1=O)\C#N

Clc1ccc(NC(=S)NCc2ccccc2)cc1

Clc1ccccc1C(=O)Nc1ccc(cc1)N1CCCCCC1

OC(=O)c1cc(Cl)ccc1-c1ccc(C=Cc2cc(nc(=O)[nH]2)C(F)(F)F)o1 |w:14.14|

CCC(=O)Nc1cccc(c1)-n1nnnc1SCC(=O)N1CCCCC1

Clc1ccc(cc1)C(=O)NCc1ccccc1

CCNc1nc(NC(C)CC)nc(Oc2ccc(OCC)nn2)n1

Cc1ccsc1C=NNC(=O)CCc1c(C)n[nH]c1C |w:7.8|

[O-][N+](=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)COc1ccc2ccccc2c1

COc1ccc(NC(=S)NCc2cccnc2)cc1

Oc1ccc(\C=C2/SC(=O)N(Cc3cccc(c3)[N+]([O-])=O)C2=O)cc1[N+]([O-])=O

Clc1ccc(OCC(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)c(Cl)c1

CN(C)c1cc(NC(=O)CN2CCN(C)CC2)c2ccccc2n1

CC(C)NC(=S)N(CCc1ccncc1)C(C)C

CCOC(=O)c1ccc(CNC(=O)Cn2nnc(n2)-c2ccccc2)o1

Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1cccnc1

[#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc(-[#8]-[#6])c1-[#8]-[#6]

C[C-](\N=[NH+]\c1cc(C)nc(n1)-c1ccccc1)c1cccc(c1)[N+]([O-])=O

Cn1c(cc(=O)n(C)c1=O)C(=O)NCCc1ccccc1

Cc1ccc(c(C)c1C)S(=O)(=O)n1nnc2ccccc12

COc1ccc(\C=C2/CCc3ccccc3C2=O)c(OC)c1OC

Cc1cccc(c1)N1CC(O)(c2cccs2)[N+]2=C1CCCC2 |c:18|

Fc1ccc(NC(=S)NC(=O)c2ccc3OCCOc3c2)cc1

Cc1ccc(SCC(=O)Nc2cc(ccc2O)[N+]([O-])=O)cc1

[#6]\[#6](=[#6]/[#6]=[#6](/C#N)C#N)-c1cc(C#N)c(-[#7])o1

Cc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nnnn1-c1ccccc1

Oc1cccc(c1)C(=O)NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12

CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc2OCOc2c1

COc1ccc(\C=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)cc1

OC(=O)CN1C(Nc2ccc(Br)cc2C1c1ccccc1)c1ccccc1O

Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=NN1C(=O)c2cccc3cccc(C1=O)c23 |w:15.17|

Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCCN2CCOCC2)cc1

Nc1ccccc1Oc1c(F)c(F)c(Oc2ccccc2N)c(F)c1F

COc1ccc(NP(C)(=O)Oc2ccccc2OC)cc1

Cn1c2ccc(cc2n(C)c1=O)S(=O)(=O)Nc1cc(Cl)ccc1O

CC1C2C(=O)CC(C)(C)CC2=NC2=C1C(=O)CC(C)(C)C2 |c:11,13|

Cc1cc(ccc1OCC(=O)NCC1CCCO1)S(=O)(=O)NCc1ccccc1

CCc1sc(cc1Br)C(=O)NCCc1ccc(cc1)S(N)(=O)=O

C(N1CCN(CC1)c1cnccn1)c1nc(no1)-c1ccccc1

CC(C)Cn1cc(C(=O)N2CCC(C)CC2)c2c3ccccc3n(C)c2c1=O

CCOc1cc(C)c(cc1S(=O)(=O)n1cnc(C)c1)C(C)C

OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1

Cc1ccc2cccc(c2n1)S(=O)(=O)N1CCCc2ccccc12

OC(=O)c1ccccc1C(=O)NNC(=O)c1ccc(O)cc1

Oc1ccccc1C1=NOC(C1)C(=O)NCc1ccco1 |t:8|

CCN1C(=S)S\C(=C\C=C\c2ccccc2[N+]([O-])=O)C1=O

CCCNc1ccc(cc1[N+]([O-])=O)C(=O)OCC

COc1ccc(cc1)N(CC(=O)N\N=C\c1ccc2OCOc2c1)S(=O)(=O)c1ccc(NC(C)=O)cc1

O=C(Cc1ccccc1)NCC(=O)OC(c1ccccc1)c1ccccc1

CCNC(=S)N(CCc1ccc(cc1)S(N)(=O)=O)c1cc(O)n(c1O)-c1ccccc1

CSc1cccc(NC(=O)C(C)C)c1

Cc1cccc(CSc2nc3CCSc3c(=O)n2C)c1

Cc1ccc(cc1)-c1ccc(SCC(=O)NCC2CCCO2)nn1

CCCNC(=O)C(\NC(=O)c1ccc(OC)cc1)=C\c1cn(c2ccccc12)S(=O)(=O)N(C)C

CCN(CC)C(=O)C(\NC(=O)c1ccc(OC)cc1)=C\c1cn(c2ccccc12)S(=O)(=O)N(C)C

COc1cc2[nH]c3c(nc4SCCCn4c3=O)c2cc1OC

COc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(c2)C(F)(F)F)cc1

[O-][N+](=O)c1ccc(F)c(NC(=O)CSCc2ccccc2)c1

COc1ccc(OC(=O)c2ccc(Cl)cc2)c(c1)C(C)=O

C=CCOc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1

COC(=O)c1ccc(OCC(O)CN2C(=O)c3ccccc3S2(=O)=O)cc1

CC1CCCCN1C(C(O)=O)c1ccccc1

COc1ccc(C=CC(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2cc(OC)ncn2)cc1 |w:6.5|

Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1nc2ccc(C)cc2s1)c1cccc(O)c1

CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1

CCN(CC)S(=O)(=O)c1ccc2OCC(=O)N(CC(=O)NCc3ccco3)c2c1

COc1ccc(CCNC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1OC |c:9|

Cn1c2ccccc2n(Cc2ccccc2Cl)c1=O

CCNC(=S)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC

Cc1c(NC2=N\C(=N/C(=O)c3cccs3)c3ccccc23)c(=O)n(-c2ccccc2)n1C |t:4|

CCOC(=O)Cc1csc(NC(=O)CSc2nnc(o2)-c2ccncc2)n1

Clc1ccc(OCC(=O)C(C#N)c2nc3ccccc3s2)cc1

COc1ccc(\C=N\OCC(=O)NNC2=c3cc(Br)ccc3=NC2=O)cc1 |c:14,22|

COc1ccc(cc1)-c1nnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c2ccccc12

Cc1ccc(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)cc1C

Cc1ccc(cc1)-c1cs\c(=[NH+]/c2ccc(cc2)C(O)=O)n1Cc1ccccc1

Oc1ccccc1C(=O)OCC(=O)C(C#N)c1nc2ccccc2s1

COc1cc2c(cc1NC(=O)COC(=O)CNC(=O)c1ccccc1)oc1ccccc21

Cc1ccc2nc(NCCC(O)=O)nc(-c3ccccc3)c2c1

CCOC(=O)C1CCCN(C1)c1cc(O)n(c1O)-c1ccccc1

CCC(CC)NC(=O)CC(c1ccccc1)c1ccccc1

Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1ccccc1C(O)=O

Cc1cc(ccc1OCC(=O)NCC1CCCO1)S(=O)(=O)NC1CCCCC1

CC(C)(CSc1ncccn1)NS(=O)(=O)c1ccccc1

COc1ccc(cc1N(CC(=O)NCCCOC(C)C)S(C)(=O)=O)[N+]([O-])=O

Cc1cccc(C)c1N1CCN(CC1)S(=O)(=O)N1CCCCC1

Brc1ccc(cc1)S(=O)(=O)NC(=S)NC1CCCCC1

CCn1nc(C)c(NC(=O)Nc2cccc(Cl)c2Cl)c1C

CCOc1ccc(cc1)C(C)NC(=S)NCc1ccc(Cl)cc1

CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccccc1Cl

COc1ccc(cc1OC)-c1noc(n1)C(=O)NCc1ccc(F)cc1

Fc1cc(Cl)c(cc1F)C(=O)NCc1ccncc1

CCN(CC)S(=O)(=O)c1cc(OC)c(C)cc1C

Cc1ccc(O)c(NC(=S)NC(=O)COc2ccc(Br)cc2)c1

Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccccc1C(O)=O)c1ccc(Cl)cc1

CCCCN(c1ccc(cc1)C(=O)OC)S(=O)(=O)c1ccccc1

CCOC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2)c1

Cc1ccc(cc1)C1CC(=Nc2nc(nn12)-n1c(O)ccc1O)c1ccccc1 |c:10|

Fc1ccc(CN(Cc2ccco2)C(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)cc1

Cc1ccccc1Cn1ccc(NC(=O)c2cc3ncc(Br)cn3n2)n1

COc1cccc(c1)C(C)=NNS(=O)(=O)c1ccc(Cl)cc1 |w:10.11|

Cc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C\c1ccccc1 |t:12|

CC1CCc2c(C1)scc2C(=O)Nc1ccccn1

CCCCC(=O)NC(=S)NNC(=O)CCc1ccccc1

COc1ccc(cc1)C(=O)Nc1ccc(cc1)C1CC1(Cl)Cl

Cc1cccc(C)c1NC(=S)Nc1ccc(F)cc1

CCCCC(=O)NC(=S)NNC(=O)c1ccc(OC)cc1

COc1ccc(cc1NC(=O)c1ccccc1SC)[N+]([O-])=O

CN(CCOc1c(C)cc(C)cc1Br)Cc1ccccc1

COc1ccc2[nH]cc(CCNC(=S)NC3CCCC3)c2c1

CCOc1ccccc1NC(=O)CNC(=O)Cc1ccccc1

CCCCC(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl

Cc1c(NC2=N\C(=N/C(=O)c3ccc(F)cc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C |t:4|

Cc1ccc(C)c(NC(=S)Nc2ncccc2C)c1

COc1c(Cl)cc(Cl)cc1CNc1ccc(cc1)S(N)(=O)=O

CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1ccc(O)cc1

Cc1cccc(C(=O)N2CCc3ccccc3C2)c1[N+]([O-])=O

COc1ccc(C)cc1NC(=O)N1CCCc2ccccc12

CC(=NNC(=S)Nc1ccc(C)cc1)c1cccc(N)c1 |w:2.2|

COCC1CCN(Cc2nc(no2)-c2ccc3OCOc3c2)C1

OCCN1CCN(CC2=c3oc(=O)c(cc3C=CC2=O)=C2C=CCC=N2)CC1 |w:20.27,c:8,17,23,26|

OC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1

COc1ccc(cc1F)-c1nn(cc1CNCc1cccnc1)-c1ccccc1C

Fc1ccc(c(CN2CCCC(C2)C(=O)c2ccc3OCOc3c2)c1)-n1cccn1

COc1cccc(CN2CCN(Cc3cc4ccccc4[nH]3)CC2CCO)c1

COc1cccc(CC2(CO)CCCN(Cc3cc4ccccc4[nH]3)C2)c1

COc1cccc(c1)C(=O)N1CCCC(CCC(=O)NCc2ccc(F)c(F)c2)C1

CN(CC1CCOCC1)C(=O)CC1N(Cc2ccc(Cl)c(F)c2)CCNC1=O

CCOC(=O)C1(CC2CCCCO2)CCN(Cc2nccn2-c2ccc(OC)cc2)CC1

COc1ccc(CN2CCC(CO)(CCOc3ccccc3)CC2)cc1C

CC(C)N1CCN(Cc2nc(cs2)-c2ccccc2)CC1CCO

Cc1ccc(CN2CCN(CC2CCO)C2CCOCC2)cc1

CC(C)CN1CCN(Cc2cccc3nccnc23)CC1CCO

CC(=O)Nc1ccc(CN2CCCC(CO)(Cc3cccc(Cl)c3)C2)cc1

O=C(C1CCN(CC1)C1CCN(CC2CCC=CC2)CC1)N1CCOCC1 |c:17|

COc1cccc(c1)C1CCCN1Cc1nc(no1)-c1cnccn1

CCOC(=O)C1(CC2CCCCO2)CCN(Cc2cc3ccccc3[nH]2)CC1

CC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)c1cccc(Cl)c1

CC(C)C(Sc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1)C(O)=O

CCc1ccccc1N=Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O |w:8.8|

CC(C(O)=O)n1nc(C)c2ccccc2c1=O

Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1N1CCOCC1

Oc1ccc(NC(=O)c2cccc(Oc3ccc(cc3)[N+]([O-])=O)c2)cc1

CS(=O)(=O)N1CCN(CC1)C(=O)COc1ccc2ccccc2c1

COc1ccc(OC)c(CN2CCN(CC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1

CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)cc1

CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(C)CC1

[O-][N+](=O)c1ccc(cc1)-c1ccc([CH-]\N=[NH+]\c2nc(nc(n2)N2CCCCC2)N2CCCCC2)o1

Cc1ccc(cc1)S(=O)(=O)NC(C(O)=O)c1ccccc1

Oc1ccc(\C=C2/SC(=O)N(C2=O)c2ccccc2Cl)cc1[N+]([O-])=O

Cc1cc(NC(=O)Cc2ccccc2)ccc1NC(=O)c1cccs1

COc1cc(C(O)=O)c2ccccc2n1

CCOc1ccccc1Nc1ccnc2cc(Cl)ccc12

CC1C\C(=N/OC(=O)c2ccc(F)cc2)C(C)CN1C

Cc1cc(ccc1NCc1ccccc1[N+]([O-])=O)[N+]([O-])=O

CC1CCC2=NN(C(=O)c3ccco3)C(O)(C2C1)C(F)(F)F |t:4|

O=C(N\N=C\c1ccccn1)c1cccs1

[#6]-c1cc(\[#6]=[#6](\C#N)C#N)ccc1-[#7]-1-[#6]-[#6]-[#6]-[#6]-1

Cc1ccccc1-c1cc2nc(cc(=O)n2[nH]1)-c1ccc(cc1)[N+]([O-])=O

[O-][N+](=O)c1ncn(CC(=O)NCCc2ccccc2)n1

Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O

CC(C)OC(=O)c1ccccc1C(=O)c1ccc(N)c(c1)[N+]([O-])=O

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NC(=O)c1ccoc1C |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|

OC(=O)c1ccccc1NS(=O)(=O)c1ccc2OCCOc2c1

COc1ccc(cc1)C1=c2cc(F)ccc2=NC(=NN1)c1ccco1 |c:9,17,19|

Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nc2n(Cc3ccccc3)nnc2c(=O)[nH]1

CC(=O)Nc1ccc(NC(=O)COc2ccc(cc2)[N+]([O-])=O)cc1

COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C1c1cccs1)C(=O)OC |c:17,t:4|

CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccccn1 |t:4|

Cc1ccc(SCc2cc(=O)[nH]c(SCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1

COc1ccc(NC(=O)CSc2nnc(N)s2)c(c1)[N+]([O-])=O

COc1ccc(CCN2C(=O)CC(Cc3ccccc3)C2=O)cc1OC

[O-][N+](=O)c1cccc(c1)C(=O)Nc1sccc1C#N

CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc4ccccc4c23)C(=O)C1 |t:8|

[#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#8]C3([#6]-[#6]-[#6]-[#6]3)[#8]-[#6]-2=O)cc1

Cc1nn(C)c(C)c1NC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccco1

ClCC(=O)Nc1nccs1

Cc1nc2ccccc2n1CCOc1ccc(cc1)[N+]([O-])=O

CCc1nnc(NC(=O)CSc2nnnn2-c2cccc(c2)C(C)=O)s1

COc1ccc2ccccc2c1CNCCCN1CCOCC1

Cc1cc(C)nc(NC(N)=Nc2ccc(cc2)-c2ccccc2)n1 |w:10.10|

Fc1ccc(cc1)N1CCN(CC1)C(=S)NC(=O)c1cccs1

CC(C)c1ccc(CC(NC(C)=O)C(=O)NC2CCN(CC2)C(=O)c2cccc(C)c2)cc1

CCOc1ccc(cc1)N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1

COc1ccc(cc1C)C(=O)C1C(N(CCN(C)C)C(=O)C1=O)c1cccnc1

CCOC(=O)C1CCN(CC1)c1ncnc2n(Cc3ccccc3Cl)nnc12

O=C(CSc1ccccc1)NN1C(=O)c2ccccc2C1=O

COc1cccc(CNc2ccc(cc2C)[N+]([O-])=O)c1

FC(F)(F)c1cc(nc(SCC(=O)NCCCN2CCOCC2)n1)-c1ccco1

Cc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccco1

CC(C(=O)NCCN1CCOCC1)(c1ccccc1)c1ccccc1

CC(C)(C)NC(=O)C(\NC(=O)c1ccc(cc1)[N+]([O-])=O)=C\c1ccccc1F

OCCOCCN1CCN(CC1)C(=S)Nc1ccccc1

Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(OCC=C)cc1

CCOc1ccc2=NC(=O)C(NN3C(=O)c4ccccc4C3=O)=c2c1 |c:24,t:6|

COc1cccc2cc(-c3nnc(o3)-c3ccccc3)c(=O)oc12

Cc1cc(ccc1NCc1ccco1)[N+]([O-])=O

COc1cc(OC)cc(c1)N(C(C(=O)NCC1CCCO1)c1ccc(OC)c(OC)c1)C(=O)CNC(=O)c1cccs1

COCCn1c2nc3ccc(C)cn3c(=O)c2cc(C(=O)NCc2ccco2)c1=N

[O-][N+](=O)c1cccc(CN(C(=O)c2ccco2)c2ccc(Br)cc2)c1

Cn1c2nc(Oc3ccccc3)n(CC=C)c2c(=O)n(C)c1=O

Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O

CCOC(=O)C(CC)C(C)=NNC(=O)c1cccc(C)c1 |w:10.10|

CCC(C(=O)Nc1ccc(cc1)C(C)C)c1ccccc1

Nc1c(sc2nc3CCCc3cc12)C(=O)N1CCOCC1

[#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(o2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6]-1=O

CC(=O)Nc1ccc(OCC[n+]2cccc(c2)C(N)=O)cc1

CC(C)(C)NC(=O)C(N(C(=O)C1CSC(=O)C1)c1cccc(F)c1)c1ccccn1

COc1ccccc1OP(C)(=O)Nc1cccc(Br)c1

CCOc1ccc(\C=N\NC(=O)CN2CCCCCCC2)cc1

COc1ccc(cc1OC)C1C2C(=O)CC(C)(C)CC2=Nc2c1c(=O)n(C)c(=O)n2C |c:21|

CCCNC(=O)C1CN(C(=O)C1)c1ccc(OCC)cc1

COc1ccc(\C=C2/SC(=S)N(CC(=O)NCCO)C2=O)cc1

Cc1noc(NS(=O)(=O)c2ccc(cc2)N=CCC(=O)c2cccc3ccccc23)c1C |w:15.15|

Clc1ccc(-c2ccc(\C=N\c3ccc(cc3)N3CCOCC3)o2)c(Cl)c1

CCOC(=O)c1c(NC(=O)C2CCCO2)scc1-c1ccc(OC)c(OC)c1

Cc1cccc(Oc2ccc(NC(=O)c3ccccc3C(O)=O)cc2)c1C

CCC(C)C(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1

COc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:9|

[#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]/[#7]-c2ccc(cc2-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)-[#6](=O)-c2ccccc2)-[#6](=O)-[#6]1

[O-][N+](=O)c1ccc(NC(=O)CCOc2ccccc2)cc1

[#6]-[#6]-[#7]-1-[#6](-[#16]-c2ccccc-12)=[#6]\[#6]=[#6](\[#6](-[#6])=O)-[#6](-[#6])=O |w:11.13|

C=CCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1

[#6]-[#6]-[#6]-[#6]-[#8]-c1ccc2-[#7]\[#6](=[#6](\[#6](\Cl)=[#6](\Cl)Cl)/[#7+](-[#8-])=O)-c2c1

COc1ccccc1N1CCN(CC1)c1ncc(C(=O)N2CCN(CC2)c2cccc(Cl)c2)c2ccccc12

[O-][N+](=O)\C(=C(\Cl)[C-](Cl)Cl)\C(\Sc1ccccc1)=[NH+]/C1CC1

[#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#8]C([#6])([#6])[#8]-[#6]-2=O)cc1

CCc1cccc(NC(=S)N(CCCN2CCOCC2)C(C)c2cc3cccc(OC)c3o2)c1

Cc1nn(c(N)c1-c1ccccc1)-c1ccc(cc1)[N+]([O-])=O

Cc1ccc(Cn2c(SCC(=O)NCC3CCCO3)nc3ccsc3c2=O)cc1

[O-][N+](=O)c1ccc(cc1)-c1ccc([CH-]\N=[NH+]\c2nc(nc(n2)N2CCCC2)N2CCCC2)o1

CC(CCc1ccco1)NC(=O)c1cccc2CN(C3CCCCC3)C(=O)c12

Cc1ccc2oc(=O)c(CC(=O)c3ccccc3)nc2c1

COCCNc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1cc(C)ccc1C

Cc1cc(C)cc(Nc2c(F)c(F)c(F)c(F)c2C(O)=O)c1

CN(C)c1ccc(cc1)C(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O

CCOC(=O)c1c(n[nH]c1N1N(O)c2ccccc2NC1=O)-c1cccc(Cl)c1

Cc1ccc(cc1)C(=O)NC(=S)NNC(=O)COc1ccccc1C

CCOc1ccc(\C=N\NC(=O)C(C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1OCC

CCS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3cc(C)n(c3C)-c3cccc(OC)c3)C(=N)N12 |t:5,8|

Fc1ccc(cc1)C1N(CCn2cccc12)C(=S)Nc1cccc(F)c1

CC(C)CS(=O)(=O)c1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccccc34)c(N)n12 |c:18|

Clc1ccc2nncn2n1

CC(C)N1C(=O)S\C(=C\c2ccccc2OCc2ccc(cc2)C(O)=O)C1=O

CCc1nnc(NC(=S)Nc2ccccc2)s1

CC(C)CNP(=S)(c1ccccc1)C(C)(C)C

CCN(c1ccccc1)c1nc(nc(n1)N(CC)c1ccccc1)C#N

CCOC(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)NC(C)(C)CC

Fc1cccc(Cl)c1C(=O)NCCc1csc(n1)-c1ccccc1

Cc1ccc(cc1[N+]([O-])=O)C(=O)OCn1nnc2ccccc2c1=O

CCOc1ccccc1-n1c(C)nc2cc(ccc12)C(O)=O |(16.25,-.23,;15.22,.92,;13.71,.6,;12.68,1.75,;13.16,3.21,;12.13,4.36,;10.63,4.04,;10.15,2.57,;11.18,1.43,;10.7,-.04,;11.6,-1.28,;13.14,-1.28,;10.7,-2.51,;9.24,-2.05,;7.91,-2.82,;6.57,-2.05,;6.57,-.51,;7.91,.26,;9.24,-.51,;5.24,-2.82,;3.91,-2.05,;5.24,-4.36,)|

CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCc3ccccc23)sc2CN(C)CCc12

CCS(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1

COc1ccc(cc1)C(=O)Nc1cc(=O)n(C)c(=O)n1C

COc1ccc(cc1)C(NC(=O)c1ccc(=O)[nH]c1)C(=O)Nc1ccc(cc1)C(C)C

COc1ccc(OC)c2n(C)c(=NC(=O)C3COc4ccccc4O3)sc12 |w:12.12|

O=C(CSc1ccc(nn1)-c1ccncc1)N1CCN(CC1)c1ccccc1

Cc1ccc(C)c(NC(=S)NCCCN2CCOCC2)c1

COC(CNc1ncnc2n(C)ncc12)OC

CC(C)(C)n1nc2CS(=O)(=O)Cc2c1NC(=O)Cc1ccccc1

COc1ccccc1-c1ccc(SCc2cccc(F)c2)nn1

CC(C)N1CCc2c(C1)sc(NC(=O)CCc1ccccc1)c2C(N)=O

Cc1c(sc(C#N)c1-c1ccccc1)-c1nnc[nH]1

Cc1ccc[n+](c1)-c1[n-]c(=O)sc1C=O

C\[N+]([O-])=C/C1C(=O)CC(C)(C)CC1=O

CC(C)Sc1snnc1-c1ccccc1

CC1(C)CC(=O)C2CNc3ccccc3N=C2C1 |c:16|

CNc1nc(Cl)nc(Nc2ccccc2)n1

COc1ccc(CNS(=O)(=O)NCc2ccccc2)cc1OC

COC(=O)C1=C(C)NC(=O)C1=CNc1ccc(Oc2ccccc2)cc1 |w:11.12,c:4|

COc1ccc(SCC(=O)Nc2ccccc2Cl)cc1

COc1cc(C=O)ccc1Oc1cnccn1

CSc1c(sc(=S)n1-c1ccc(C)cc1)C#N

O=C(NNC(=O)c1oc2ccccc2c1-n1cccc1)c1ccco1

[O-][N+](=O)c1ccc(CO[N-][CH+]CC(=O)Nc2ccc(Br)cc2)cc1

[O-][N+](=O)c1ccc(Oc2ccsc2C(=O)Nc2ccccc2)c(F)c1

Cc1noc(C)c1CSCc1ccc(Cl)cc1

CSc1nc(-c2ccc(cc2)N(C)C)c(C#N)c(=O)n1C

CCOC(=O)c1nnc(nc1N1CC(C)OC(C)C1)-c1ccccc1

CCc1cccc(C)c1NC(=S)N1CCCCC1c1cccnc1

CN(C)c1nc(N(C)C)n(n1)S(=O)(=O)c1cccc(c1)C(F)(F)F

Cc1nnc(SCC=C)nc1CC=Nc1ccc(Cl)cc1 |w:13.14|

CCOC(=O)c1cc(C#N)c(nc1-c1ccccc1)N1CCN(CC1)c1ccccn1

[O-][N+](=O)c1cc([CH-]N=[OH+])ccc1Oc1ccc(F)cc1

CN(C)c1ccc(cc1)C(=O)N\N=C\C12CC[C@@H](O)CC1(O)CC[C@@H]1[C@@H]2CCC2(C)C(CCC12O)C1=CC(=O)OC1 |t:40|

CC(=O)c1nn(-c2ccc(F)cc2F)c(=O)n(C)c1=O

COc1ccc(CN2CCS(=O)(=O)CC2)cc1OC

Cc1cc(nc(N)n1)N1CCOCC1

Cc1nn(c(N)c1-c1ccccc1)-c1cccc(c1)[N+]([O-])=O

Clc1ccc(cc1)-c1csc(n1)N1CCOCC1

CCc1nnc(NC(=O)CSc2nc(SC)ns2)s1

Clc1ccc(cc1)-n1cc(COCc2ccccc2)nn1

Cc1ccccc1Cn1c(=O)sc2ccccc2c1=O

CCc1c(C)nc(SCC(=O)N2CCN(CC2)c2ccccc2OC)[nH]c1=O

CN(C)\C=N\c1nccc(n1)-c1cccs1

COC(=O)C1CC(Cl)CN1c1ncc(cc1Cl)C(F)(F)F

CCCCOC1CC(N(C)O1)c1ccc(OCc2ccc(OC)cc2)c(OC)c1

COC(=O)C(CC(=O)c1cccc(OC)c1)c1ccc(F)cc1

COc1cc(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)c(cc1OC)C(O)=O

Fc1cccc(c1)C(=O)C(C#N)c1nc2ccccc2s1

[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#7]\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)sc2-[#6]-[#6]-[#6]-c12

Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccoc2)C1=O |w:14.15|

O=C(Nc1nc2ccc(cc2s1)S(=O)(=O)N1CCCC1)c1ccccn1

Cc1ccc(C)c(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)c1

COc1ccc(cc1OC)-c1cc(nc2ccc3ccccc3c12)C(O)=O

Oc1ccc(CN=Nc2nc(nc(n2)N2CCCCCC2)N2CCCCCC2)c(O)c1 |w:7.7|

Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)Cc1c([nH]c2ccc(Cl)cc12)C(O)=O

COc1ccc(CCn2c(=O)n(Cc3cccc(c3)[N+]([O-])=O)c3ncccc3c2=O)cc1OC

CC(=O)c1ccc(s1)-c1cccs1

CC(C)N1CCc2c(C1)sc(NC(=O)c1cc3cc(ccc3s1)[N+]([O-])=O)c2C(N)=O

Cc1ccc(O)c(c1)C(=O)c1cc(C#N)c2nc3ccccc3n2c1

OC(=O)c1ccc(cc1)-c1nc(cs1)-c1ccc(Cl)cc1Cl

Fc1cc(NC(=O)C2CC2)ccc1N1CCN(CC1)c1ccccc1

COc1ccccc1C(=O)NC(CCSC)C(=O)NC1CCCCCC1

Clc1ccc(cc1)N=Cc1c[nH][nH]c1=O |w:7.7|

OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(O)=O)c2ccc(Br)cc2)cc1 |c:11|

Cc1ccccc1\[NH+]=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1C |(1.73,5.05,;2.05,6.56,;.91,7.59,;1.23,9.1,;2.69,9.57,;3.84,8.54,;3.52,7.03,;4.66,6,;6.13,6.48,;6.6,7.94,;8.14,7.94,;8.62,6.48,;10.08,6,;11.23,7.03,;12.69,6.56,;13.01,5.05,;14.48,4.58,;11.87,4.02,;10.4,4.5,;7.37,5.57,;7.37,4.03,;8.71,3.26,;8.71,1.72,;7.37,.95,;6.04,1.72,;6.04,3.26,;4.7,4.03,)|

O=C(CNc1cccc(c1)C#N)Nc1ccc2OCCOc2c1

COCCn1c(cs\c1=N/c1cccnc1)-c1ccccc1

Brc1ccc(SCCC(=O)Nc2cccnc2)cc1

[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#8]-1)=[#6](/C#N)-c1nc2ccccc2s1 |t:1,4|

COC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1

Cc1cc(C(=O)CN2C(=O)N(C3CCCC3)C(=O)C2=O)c(C)n1-c1ccc(C)cc1

CN(C)P(=O)(NC(=O)c1cccn1C)N(C)C

Clc1ccc(cc1)-c1nnc(COC(=O)\C=C\c2ccco2)o1

N#Cc1ccc(CSC2=NCCN2)cc1 |t:8|

CCOC(=O)c1c(N)scc1CC(C)C

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)OP(=O)(NC)Oc1ccccc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

Fc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1Cl

COc1ccc(cc1)C(=O)COC(=O)c1cccnc1SC

CN(C(=O)CSc1nnc(C)n1Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O

CCOC(=O)N1CCN(CC1)C(=O)Cn1cnc2ccccc2c1=O

COc1ccc2oc(C(=O)NCCC(C)C)c(C)c2c1

CSCCC(NC(=O)c1ccco1)C(=O)OCc1cc(cc2COCOc12)[N+]([O-])=O

O=C(NC(=S)NCCc1ccccn1)c1ccco1

Cc1cs\c(=N/c2ccccc2)n1Cc1ccco1

CN(C)CCNC(=O)C(=O)c1c(cc2ccccn12)-c1ccccc1

CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(C)cc2)c1C

CC1(C)CSC(NCc2ccccc2)=N1 |c:14|

Cc1nn(CC(=O)OCCOc2ccc(C)cc2)c(C)c1[N+]([O-])=O

[O-][N+](=O)c1ccccc1\C=C(/C#N)C(=O)NC1CCCCC1

Cc1cc(C(=O)COC(=O)c2ccc(C)cc2)c(C)n1CC1CCCO1

Fc1ccccc1OCC(=O)N1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

Clc1ccc(OCC(=O)OCC(=O)NCc2cccs2)c(Br)c1

CCOC(=O)c1cc(NC(=O)Nc2cc(C)ccn2)c(C)nc1C

Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)COC(=O)c1ccco1 |t:8|

CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cccc(Oc2ccccc2)c1

[#6]-[#8]-c1cccc(-[#7]-[#6](=S)-[#6](\C#N)=[#6]-2\[#7](-[#6])-c3ccccc3-[#7]-2-[#6])c1

[#6]-[#7]-1\[#6](=[#6]/[#6]=[#6](/C#N)C#N)C([#6])([#6])c2ccccc-12

CC(C)CC(=O)NC(=S)NNC(=O)c1cccc(c1)[N+]([O-])=O

CC1C[C+](CC(C)(C)C1)[N-]NC(=O)c1ccc(cc1)[N+]([O-])=O

O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccc(cc1)-c1ccncc1)c1ccccc1

[H]C12CC(C)(CN1C=C1CCCCC1=O)CC(C)(C)C2 |w:7.7,TEB:7:6:2:16.15.19|

CCN(C1CCS(=O)(=O)C1)C(=O)CSc1cc(C)c2ccc(OC)cc2n1

COc1cc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc(OC)c1O

Cc1cc(SCC(=O)Nc2cccc(c2)S(N)(=O)=O)c(C)cc1Br

O=C(CCCc1cccs1)Nc1ccc2OCOc2c1

O=C(CN1CCCC1)Nc1ccccc1Sc1ccccc1

CC(C)N(C(=O)Cn1ccsc1=[NH2+])c1ccccc1

Cn1c(=O)c(C(=O)COc2ccc(cc2)C#N)c(N)n(Cc2ccccc2)c1=O

COc1cc(\C=C(/C#N)C(=O)Nc2ccc3OCCOc3c2)ccc1O

CC(=O)NCc1ccc(cc1)C(O)=O

COc1ccc(CCNC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC

OC(=O)CC(SCC(=O)Nc1ccc(Br)cc1)C(O)=O

O=C(Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCCCC1)C1CC1

Cc1ccc(c(C)c1)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O |w:13.14,(4.41,6.16,;5.75,5.39,;5.75,3.85,;7.08,3.08,;8.41,3.85,;8.41,5.39,;9.75,6.16,;7.08,6.16,;9.75,3.08,;9.75,1.54,;8.41,.77,;11.08,.77,;11.08,-.77,;9.75,-1.54,;9.75,-3.08,;11.08,-3.85,;11.08,-5.39,;9.75,-6.16,;8.41,-5.39,;8.41,-3.85,;7.08,-3.08,;7.08,-1.54,;5.75,-.77,;4.41,-1.54,;3.08,-.77,;4.41,-3.08,;5.75,-3.85,;5.75,-5.39,;12.42,1.54,;13.79,.72,;15.19,1.51,;15.19,3.11,;13.79,3.9,;12.42,3.08,;11.08,3.85,;11.08,5.39,)|

Cc1c(-n2cc(cc(C#N)c2=O)C(=O)c2cc(F)ccc2O)c(=O)n(-c2ccccc2)n1C |(4.37,-1.92,;5.84,-2.39,;7.08,-1.49,;7.08,.05,;8.41,.82,;8.41,2.36,;7.08,3.13,;5.75,2.36,;4.41,3.13,;3.08,3.9,;5.75,.82,;4.41,.05,;9.75,3.13,;11.08,2.36,;9.75,4.67,;8.41,5.44,;8.41,6.98,;7.08,7.75,;9.75,7.75,;11.08,6.98,;11.08,5.44,;12.42,4.67,;8.33,-2.39,;9.79,-1.92,;7.85,-3.86,;8.76,-5.1,;8.13,-6.51,;9.04,-7.75,;10.57,-7.59,;11.19,-6.19,;10.29,-4.94,;6.31,-3.86,;5.41,-5.1,)|

COCCNC(=O)COC(=O)c1cccc(c1)S(=O)(=O)N(CC=C)c1ccccc1

Oc1ccccc1C(=O)c1cc(C#N)c(=O)n(c1)-c1ccc(Cl)cc1

Clc1cc(cnc1Cl)C(=O)OCC(=O)NCCC1=CCCCC1 |t:18|

OC(=O)c1cccc(c1)N=C(NS(=O)(=O)c1ccccc1)c1ccccc1 |w:9.9|

Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2)nc(C)n1

CC(N=C1NS(=O)(=O)c2ccccc12)C(=O)N1CCc2ccccc2C1 |w:2.1|

COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)C(C)C)c2)cc1

FC(F)S(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1

Clc1ccc(cc1NC(=O)CSc1nnc[nH]1)S(=O)(=O)N1CCCC1

NC(=O)COC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1

CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)ccc1C

COc1cccc(CNc2nc(nc3ccccc23)-c2cccnc2)c1

COc1ccccc1NS(=O)(=O)c1cc(ccc1F)C(=O)NCCC(C)C

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1

CN1CC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O

O=C(\C=C\c1ccc2ccccc2n1)N1CCN(CC1)c1ccccc1

CC(C)c1cc(NC(=O)c2ccccc2)cc(C(C)C)c1O

OC(=O)c1ccc(CN=Nc2cccc(c2)C(F)(F)F)cc1 |w:9.9|

COc1ccc(\C=C2/SC(NS(=O)(=O)c3cccs3)=NC2=O)cc1 |c:19|

CC(=O)Nc1ccc(\C=N\N2C(=O)NC(C)(C2=O)c2ccc(OC(F)F)cc2)cc1

CCOC(=O)C1CCCN(C1)C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCC1

Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)COc1ccc(C)nc1[N+]([O-])=O

COc1ccc(cc1NC(=O)C(C)OC(=O)\C=C\C=C\C)[N+]([O-])=O

COc1ccc(CNC(=O)CCc2nc3cc(ccc3n2C)S(=O)(=O)N(C)C)cc1OC

Cn1cccc1Cc1nnc(SCC(=O)N2CCN(CC2)c2ccccc2)n1-c1ccc(F)cc1

CC(=O)Nc1cc(ccc1S(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC2(CC1)OCCO2

Cc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCCC1

CC1(NC(=O)N(CC(=O)Nc2ccc3OCOc3c2)C1=O)c1ccc(OC(F)F)cc1

Cc1cc(no1)-n1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1C

NC(=O)c1ccc(NCC2COc3ccccc3O2)c(c1)[N+]([O-])=O

CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)s1

Cc1c2NC(=O)C3(NC(CCC(N)=O)c4c(O)n(c(O)c34)-c3ccc(Cl)cc3)c2ccc1Cl

COc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)N2CCN(CC2)c2ccccc2)c1

CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1ccc2OCOc2c1)C(=O)NCC#C |c:5|

Clc1ccccc1NC(=S)Nc1ccc2OCOc2c1

[O-][N+](=O)c1ccc(cc1)S(=O)(=O)c1cnc(NC(=O)c2ccccc2F)s1

CSc1nc(C)c(cc1C#N)C(=O)C[n+]1ccccc1C

COc1ccc2c(COC(=O)CNC(=O)c3cc(OC)cc(OC)c3)cc(=O)oc2c1

Cc1c(O)cc2OC(CC(=O)c2c1O)c1ccccc1

COCCNC(=S)NN=Cc1ccc(o1)-c1ccc(cc1)[N+]([O-])=O |w:8.7|

C=C1C(C1C(=O)Nc1ccccc1)C(=O)Nc1ccccc1

Cc1ccc(OCCC(O)=O)cc1

O=C(Nc1ccc(cc1)-n1cnnn1)c1cn2ccccc2n1

COc1ccc(cc1)N=Cc1c(O)c2ccccc2n1C(C)=O |w:8.8|

CCN1CCN(CC(=O)N2N=CCC2c2ccccc2)CC1 |c:10|

Cc1n[nH]c(=S)n(N=Cc2cccs2)c1=O |w:7.6|

CCOP(=O)(OCC)c1cc(CC)ccc1O

COc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1NCC1CCCO1

COc1cc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc(OC)c1OC

[O-][N+](=O)c1cccc(c1)-c1nc(no1)-c1ccccn1

CCOC(=O)c1c(oc2ccc(OC(C)C(O)=O)cc12)-c1ccccc1

COc1ccc(C=Cc2nc(cc(=O)[nH]2)-c2ccccc2)cc1 |w:7.7|

CCOc1ccc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC

Cn1c2nc3CC(CC(=O)c3cc2c(=O)n(C)c1=O)c1ccccc1

OC(=O)c1ccccc1C(=O)NNC(=O)CCn1c2CCCCc2c2ccccc12

Cc1ccc(cc1)N=Nc1ccc(O)c(c1)P(=O)(c1ccccc1)c1ccccc1 |w:8.9|

Cc1cc(C)n(CCC(=O)NNC2=c3cc(Br)ccc3=NC2=O)n1 |c:12,20|

Cc1ccc(cc1)C(=O)Cc1nc2ccccc2oc1=O

CCCCc1nnc2c(nc3ccccc3n12)N(C)S(=O)(=O)c1ccccc1

CCC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NCC1CCC(CC1)C(O)=O |wU:8.7,wD:4.4,(7.08,.73,;8.41,-.04,;9.75,.73,;9.75,2.27,;11.08,-.04,;12.42,.73,;12.42,2.27,;11.08,3.04,;13.75,3.04,;15.08,2.27,;16.42,3.04,;17.79,2.21,;19.19,3,;19.19,4.61,;17.79,5.4,;16.42,4.58,;15.08,5.35,;13.75,4.58,;12.42,5.35,;11.08,4.58,;12.42,6.89,;11.08,7.66,;9.75,8.43,;11.85,8.99,;10.31,6.32,;11.08,-1.58,;12.42,-2.35,;9.75,-2.35,;9.75,-3.89,;8.41,-4.66,;7.08,-3.89,;5.75,-4.66,;5.75,-6.2,;7.08,-6.97,;8.41,-6.2,;4.41,-6.97,;4.41,-8.51,;3.08,-6.2,)|

[H]C12C=CC([H])(C3CC13)C1C2C(=O)N(C1=O)c1c(C)n(C)n(-c2ccccc2)c1=O |c:2,TLB:14:9:8.6:2.3,7:8:10.9:2.3,THB:7:6:10.9:2.3,11:10:8.6:2.3|

[#6]-[#6]-[#6]-[#6]1-[#6]-[#6](C#N)-[#7](-[#7](-[#6])-[#6])\[#6]-1=[#6](\C#N)C#N

Clc1nc2CCCCc2c(C#N)c1C#N

[O-][N+](=O)c1cccc(c1)C(=O)c1ccc2OCCOCCOCCOc2c1

CCCCCC(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)CC)c1 |c:17|

CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1ccccc1O

CC1(C)CC(CCO1)NCCC(c1ccco1)c1ccccc1

CN(C)C(=O)C1CC(=O)OC11CCCCC1

C\C=C\C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1

CC(C)c1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1c1cccc(C)n1

CC(C)c1cc(nc(NCC2CC2)n1)-c1cc(on1)C(=O)NCc1ccccc1

CC(=O)C1C(NC(=S)N=C1C)c1cc(ccc1O)[N+]([O-])=O |c:8|

Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)nn1

OC(=O)c1ccc(cc1)-n1ncc2CC\C(=C/c3cccc(c3)[N+]([O-])=O)c12

CN(C)S(=O)(=O)c1ccc(cc1)C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1

O=C(NN=Cc1cccnc1)C(NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 |w:3.2|

NC(=S)NN=Cc1ccc(o1)-c1ccc(SC(F)F)cc1 |w:4.3|

COc1ccc(\C=N\NC(=O)c2ccccc2NC(=O)c2ccco2)c(OC)c1

Cc1ccc(CN2CCN(CC2)\N=C\C(\Br)=C/c2ccccc2)cc1

Cc1ccc(cn1)C(=O)N\N=C/c1ccccn1

COC(=O)C1=C(C)N(C(C)=C(C1c1ccccc1)C(=O)OC)c1ccc(OC)cc1 |c:4,9|

CCN(CC)c1ccc(\C=N/NC(=O)c2cccc3cc[nH]c23)cc1

Cc1nn(c(C)c1C=Nn1c(n[nH]c1=S)-c1ccccc1Br)-c1ccccc1 |w:8.9|

COCCn1cnc2n(\N=C\c3cccc(OC)c3)c3nc4ccccc4nc3c2c1=O

CCCCCCCCCCCC(=O)NC(Cc1ccc(OC)c(c1)[N+]([O-])=O)C([O-])=O

FC(F)C(F)(F)c1cc(n[nH]1)-c1ccc(F)cc1

CCCC1=Nc2nc(C)nn2C(C1C(=O)OCC)c1cccnc1 |t:3|

COC(=O)NN=C(C)c1cccs1 |w:5.4|

O[N+]1=C(C(=C)N([O-])C=C1c1ccccc1)c1ccc(Cl)cc1 |c:7,t:1|

COc1cc(ccc1-c1ccc(C=NNC(=O)OC(C)(C)C)o1)[N+]([O-])=O |w:13.14|

CCC(NCc1ccc2OCOc2c1)=C1C(=O)NC(=O)N(CC=C)C1=O |w:2.2|

CCc1ccccc1N1CN(Cc2ccco2)CNC1=S

CCCn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1

OC(C#CCN1CCCCCC1)(c1ccccc1)c1cccnc1

Cc1nn(-c2ccccc2)c(NC(=O)c2cccs2)c(-c2ccccc2Cl)c1=O |(12.19,2.47,;10.85,1.7,;10.85,.16,;9.52,-.61,;10.51,-1.79,;9.98,-3.24,;10.97,-4.42,;12.49,-4.15,;13.01,-2.71,;12.03,-1.53,;8.18,.16,;6.85,-.61,;6.85,-2.15,;7.38,-3.6,;5.52,-2.92,;4.11,-2.3,;3.08,-3.44,;3.85,-4.78,;5.36,-4.46,;8.18,1.7,;6.85,2.47,;5.52,1.7,;4.18,2.47,;4.18,4.01,;5.52,4.78,;6.85,4.01,;8.18,4.78,;9.52,2.47,;9.52,4.01,)|

COc1ccccc1-c1c(NC(=O)C(C)C)n(C)c2ccccc2c1=O |(7.08,-5.39,;7.08,-3.85,;5.75,-3.08,;4.41,-3.85,;3.08,-3.08,;3.08,-1.54,;4.41,-.77,;5.75,-1.54,;7.08,-.77,;7.08,.77,;5.75,1.54,;5.75,3.08,;7.08,3.85,;4.41,3.85,;4.41,5.39,;3.08,3.08,;8.41,1.54,;8.41,3.08,;9.75,.77,;11.13,1.59,;12.52,.8,;12.52,-.8,;11.13,-1.59,;9.75,-.77,;8.41,-1.54,;8.41,-3.08,)|

CC1=[N+]([O-])C(C)(C)N(O)C1(C)C |c:1|

CC(C)(C)c1ccc(SCCc2cccnc2)cc1

Cc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1

OC(=O)C(N1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O)c1ccccc1

[O-][N+](=O)c1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1

S=C1NCN(CCc2ccccc2)CN1Cc1ccccc1

CC(C)c1nc2n(C)c3ccccc3c(=O)c2c(=O)n1CCc1ccccc1

CCCCOc1ccc(OC(=O)Nc2cc(Cl)ccc2OC)cc1

C[C@]12CCC3C(CCC4CC(O)CC[C@]34C)C1CCC2c1cc(n[nH]1)C(F)(F)F

Nc1nc(Nc2ccccc2Cl)cc(=O)[nH]1

Cc1nn(C(=O)c2c(C)onc2-c2ccccc2)c(C)c1N=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:21.23|

CCCn1c2ccccc2n(CC(O)COc2ccc(C)cc2)c1=N

CCOP(=O)(OCC)C(Nc1cccc(c1)[N+]([O-])=O)c1ccccc1

CC(C)CCOP(=O)(C(Nc1ccccc1)c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C

COc1ccc(\C=C\C(=O)NCCSCc2ccco2)cc1OC

CC1(C)CC(=O)C2=C(C1)OC(N=CN1CCCC1)=C(C#N)C2c1ccccc1 |w:11.11,c:6,t:19|

Cc1nc2n(C)c3ccccc3c(=O)c2c(=O)n1C1CCCCCC1

CC(=O)c1cccc(Nc2cc(C)nc3c(C)cccc23)c1

Cc1ccc2nc(Cl)c(\C=C\C(=O)c3ccco3)cc2c1

COc1ccc(NC(=O)Nc2nnc(s2)C(C)(C)C)cc1

Oc1ccnc2c(Cl)cccc12

Cc1ccc(C=Nn2c(n[nH]c2=S)-c2cccc(Cl)c2)o1 |w:6.6|

CN(C)CCCNC(=O)c1ccccc1Oc1ccccc1

Cc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)N2CCOCC2)C1=O |w:14.15|

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc2nccnc2c1 |w:15.14|

COc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccc(cc1)S(=O)(=O)N1CCCCC1 |(9.3,-5.16,;8.15,-4.13,;8.48,-2.63,;9.94,-2.15,;10.26,-.64,;9.12,.39,;7.65,-.09,;7.33,-1.6,;5.87,-2.07,;5.39,-3.54,;6.3,-4.78,;5.67,-6.19,;6.57,-7.43,;5.95,-8.84,;8.11,-7.27,;3.85,-3.54,;3.37,-2.07,;4.62,-1.17,;4.62,.37,;3.29,1.14,;3.29,2.68,;4.62,3.45,;5.95,2.68,;5.95,1.14,;4.62,4.99,;3.08,4.99,;6.16,4.99,;4.62,6.53,;3.29,7.3,;3.29,8.84,;4.62,9.61,;5.95,8.84,;5.95,7.3,)|

CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1cccc(C)c1C)c1cccc(c1)C#N

CCOc1cc(cc(Br)c1O)C1C(=CN(C=C1C(=O)OC)C1CCCC1)C(=O)OC |c:13,16|

CCOc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1

Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1

Cc1ccc(cc1)-c1csc2nnc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n12

CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccc(Br)cc1

CCCCC(C(C)CC(=O)Nc1nncs1)C(O)=O

CC(C)c1ccc(C=NNC(=O)c2cc(n[nH]2)-c2cccc(c2)[N+]([O-])=O)cc1 |w:8.8|

CCCC12CN(CC(C)(CN(C1)C(=O)c1ccc(cc1)[N+]([O-])=O)C2=O)C(=O)c1ccc(cc1)[N+]([O-])=O

Cc1ccc2oc(=O)c(CC(=O)c3cccs3)nc2c1

Cc1ccc2oc(=O)c(CC(=O)c3ccco3)nc2c1

COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccc(C)cc1 |(5.39,5.15,;6.16,3.81,;5.39,2.48,;3.85,2.48,;3.08,1.15,;3.85,-.19,;5.39,-.19,;6.16,1.15,;7.7,1.15,;8.61,-.1,;8.13,-1.56,;10.07,.38,;11.53,-.09,;12.43,1.15,;11.53,2.39,;12.01,3.85,;10.98,5,;13.51,4.17,;14.54,3.02,;16.05,3.34,;16.53,4.8,;15.5,5.95,;13.99,5.63,;10.07,1.92,;8.61,2.39,;8.13,3.86,;12.01,-1.56,;10.98,-2.7,;11.46,-4.17,;12.96,-4.48,;13.44,-5.95,;13.99,-3.34,;13.51,-1.87,)|

O=C(N1CCN(CC1)C(=O)c1ccco1)c1cc2nc(cc(-c3ccccc3)n2n1)-c1ccccc1

NC(=O)COC(=O)c1ccc(cc1)-c1ccc(O)cc1

CCOc1ccc(OCCSc2nc(N)cc(=O)[nH]2)cc1

CSc1ccccc1NC(=O)COC(=O)c1c[nH]c(=O)[nH]c1=O

OC(=O)CNC(=O)CSc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1

COc1ccc(cc1Cl)-c1ccc(\C=N\NC(=O)Cc2nnc(N)s2)o1

Nc1c(C#N)c2nc3ccccc3nc2n1-c1cccc(c1)C(O)=O

OC(=O)CNC(=O)CSc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1ccccc1

[#6]-[#7](-[#6]-[#6]-[#8])S(=O)(=O)c1ccc2-c3ccc(cc3\[#6](=[#7]/[#7]-[#6](-[#7])=O)-c2c1)S(=O)(=O)[#7](-[#6])-[#6]-[#6]-[#8]

Clc1cc(Cl)cc(NC(=O)c2coc(=O)c(Br)c2)c1

COC1=C\C(=C\c2c(N)n3c(nc2=O)sc2cc(ccc32)S(C)(=O)=O)C=CC1=O |c:28,t:2|

COC(=O)C=C1SC(NNC(=O)c2ccc(Cl)cc2Cl)=NC1=O |w:4.3,c:20|

Cc1nn(-c2cc(ccc2Cl)C(F)(F)F)c2nc([nH]c(=O)c12)C(Cl)(Cl)Cl

CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)ccc1Cl

[O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)\[NH+]=C1\CCCCC[N-]1

CN(C)S(=O)(=O)c1cccc(NC(=S)NN=Cc2ccc(C)o2)c1 |w:15.14|

Clc1ccccc1CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccco3)C(=O)N12 |t:10,19|

COc1cc(C[C@H](C)[C@H](C)Cc2ccc3OCOc3c2)ccc1O

COC(=O)CCCC1=CC2=C(C(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CN1CCc1ccccn1)c1ccccc1 |c:27,t:7,9|

COc1ccc(N=Cc2c(O)n(-c3cccc(C)n3)c(=O)c3ccccc23)c(OC)c1 |w:6.5|

NNC(=S)NC1CCS(=O)(=O)C1

COc1ccc(cc1)C1N(Cc2ccco2)C(=O)c2[nH]nc(c12)-c1ccccc1O

Oc1cc(Nc2cc(=O)[nH]c(=O)[nH]2)c(O)n1-c1ccccc1Cl |(7.82,2.4,;8.44,.99,;9.95,.67,;10.11,-.86,;11.45,-1.63,;12.78,-.86,;12.78,.68,;14.11,1.45,;14.11,2.99,;15.45,.68,;15.45,-.86,;16.78,-1.63,;14.11,-1.63,;8.71,-1.49,;8.39,-2.99,;7.67,-.34,;6.14,-.5,;5.52,-1.91,;3.99,-2.07,;3.08,-.82,;3.71,.58,;5.24,.74,;5.86,2.15,)|

O=c1nncc(N=NC=CCc2ccccc2)[nH]1 |w:6.5,9.9|

CS(=O)(=O)Nc1nc2NC(CC(c3ccccc3)n2n1)c1ccccc1

Cc1ccc2c(c1)[nH]c1c2ncn(Cc2ccco2)c1=O

Cn1c(SCC(=O)N\[NH+]=C\[c-]2cc(ccc2=O)[N+]([O-])=O)nnc1-c1ccccc1

Oc1nc(N=NCc2ccc(F)cc2)sc1-c1ccccc1 |w:4.3|

Oc1csc(=S)n1NC(=O)c1cccnc1

CCCCN1C(=O)NC(=O)C(C(=O)C=Cc2c[nH]c3ccccc23)C1=O |w:14.14|

COc1ccc(Cn2c(nc3n(C)c4ccccc4c(=O)c3c2=O)-c2ccco2)cc1

COc1ccccc1-c1cc([nH]n1)C(=O)NN

COc1ccc(cc1)C(=O)CSc1nnn(n1)-c1cccc(NC(C)=O)c1

Cc1cc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2nn1

Cn1c2nc3cc(Cl)ccc3cc2c(=O)n(C)c1=O

[H]C12CCC(C)(\C(C1)=N\OC(=O)c1c(F)cccc1F)C2(C)C |TLB:8:6:20:3.2|

CCOC(=O)c1sc(nc1O)-c1ccc(cc1)C(F)(F)F

Cc1ccc(cc1)S(=O)(=O)NNC(=S)Nc1cccc(F)c1

CCOC(=O)c1cc(C)nc(SCC#C)c1C#N

CN(C)c1ccc(cc1)C(=O)NNC(=O)c1ccc(Cl)cc1

CN(\N=C\c1ccc(Cl)cc1Cl)c1ncc(Cl)cc1C(F)(F)F

Cn1c(SCC(=O)c2ccc3OCCOc3c2)nnc1C(F)(F)F

Cc1[nH]c2ccccc2c1SCc1nnc(SCc2ccccc2)n1C

Clc1cc(Cl)cc(c1)S(=O)(=O)NC(=N)CN1CCCCC1

Nc1c(sc2nsc(SCCN3CCOCC3)c12)C(=O)c1ccc(Cl)cc1

Cc1nc(nc(NCCNc2ccc(cn2)C(F)(F)F)c1Cl)-c1ccncc1

COc1ccc(cc1)-c1ccnc(SCC(=O)N2CCN(CC2)c2ccccc2)n1

O=C(Nc1ccccc1N1CCOCC1)C1=NNC(=O)CC1 |t:17|

COc1ccc(Oc2ccc(cc2NC(=O)c2ccc(OC)cc2)C(F)(F)F)cc1

COC(=O)c1sc(cc1NC(=O)CSCC(O)=O)-c1ccc(cc1)C(C)(C)C

Cc1cc(nn1C(C)(C)C)C(=O)Nc1ccc2OCCOc2c1

CCc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc2OCOc2c1

CC(C)(C)c1cc(C(=O)NNC(=O)Nc2cccc(Cl)c2)n(Cc2ccccc2)n1

CCOC(=O)c1cn[nH]c1NC(=S)Nc1ccc(Cl)cc1

CCOC(=O)c1cn2nc(Oc3cccc(F)c3)ccc2n1

FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Oc2cccnc2)nc1

CN(NC(=O)Nc1ccccc1)c1cnn(C)c(=O)c1Cl

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)Nc1cccc(Cl)c1

Cc1nnsc1-c1onc(C)c1C(=O)O\N=C\c1ccc(Cl)cc1

Cc1ccc(NC(=O)CCn2cc(ccc2=O)C(F)(F)F)cc1

Cc1noc(C)c1-c1nc(CSc2ccc(C)cc2)no1

Cc1onc(c1C(=O)N1CCN(CC1)c1ncc(Br)cn1)-c1c(F)cccc1Cl |(12.13,2.1,;13.03,.86,;14.57,.86,;15.05,-.61,;13.8,-1.51,;12.56,-.61,;11.09,-1.08,;10.06,-2.23,;9.95,-.05,;8.48,-.53,;7.34,.5,;7.66,2.01,;9.12,2.49,;10.27,1.45,;6.51,3.04,;5.05,2.56,;3.9,3.59,;4.22,5.1,;3.08,6.13,;5.69,5.58,;6.83,4.55,;13.8,-3.05,;15.14,-3.82,;16.47,-3.05,;15.14,-5.36,;13.8,-6.13,;12.47,-5.36,;12.47,-3.82,;10.93,-3.82,)|

Cc1onc(c1CNC(=O)CN1C(=O)c2ccccc2C1=O)-c1ccccc1

O=C(NCc1csc(n1)-c1cccs1)c1ccccc1

Oc1cc(nc2ccc(OC(F)(F)F)cc12)C(F)(F)F

COC(=O)c1scc2c(O)cc(nc12)C(F)(F)F

COc1cccc(Oc2ccc(OC)cc2C(O)=O)c1

Cc1noc(c1C(=O)NNC(=O)c1cccc(c1)C(F)(F)F)C(F)(F)F

Nc1ccccc1Sc1cc(O)n(c1O)-c1ccc2OCOc2c1

COC(=O)c1sc(cc1NC(=O)COCC(O)=O)-c1ccc(cc1)C(C)(C)C

Cc1ccc2c(c1)nnc1nnc(SCC(O)=O)n21

COc1ccc(cc1)-c1c([nH]n2c1nc(cc2=O)-c1ccccc1)C(F)(F)F

Oc1ccccc1C(=O)NC(=O)c1ccc(cc1)C(F)(F)F

C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCC(C)CC1)C(=O)OC(C)(C)C

Cc1ncc(n1CCOC(N)=O)[N+]([O-])=O

CS(=O)(=O)Oc1ccc(Br)c2cccnc12

COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1CCc1ccccc1 |c:4|

OC(=O)C1=CCCNC1 |t:3|

C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |r,TLB:16:15:1:10.4.3|

CCOC(=O)c1cn(Cc2ccccc2)c(C(=O)OC(C)(C)C)c1O

CCOC(=O)C1C(NC(=O)N=C1CCc1ccccc1)c1cccc(c1)[N+]([O-])=O |c:10|

[H][C@@]12C[C@]3([C@@H](O)CC(C)(C)C[C@@]3([H])C3=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]13C)C(=O)O2 |t:14|

CSCCC(NC(=O)c1ccco1)C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1

CCOc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccccc1 |t:10|

Fc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl

CCOc1ccc(\C=C(/C#N)C(=O)NC2CC2)c(OCC)c1

COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1

Brc1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1

COc1ccc(cc1OC)-c1cc(C(=O)NC2CCCC2)c2ccccc2n1

COc1ccc(CC(=O)NC(=S)Nc2cccc(C)c2)cc1

CCn1ncc(C(=O)Nc2ccc(cc2OC)[N+]([O-])=O)c1C

[O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

CCCC(=NNC(=O)C1CC1)c1ccccc1 |w:4.4|

CCN(CC)CCOC(=O)C(Cc1ccco1)Cc1cccc2ccccc12

CN(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(C)cc1

COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2OC)c(OC)c1

Cc1cccc(NC(=S)NC(=O)Cc2ccccc2)c1C

COc1cc2CC(=O)NC(c2cc1OC)c1c(Cl)cccc1Cl

Cc1ccc(cc1)C(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1

Cc1cccc(NC(=O)C2CC2c2ccccc2)c1C

COc1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1

COc1cccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1

COc1ccc(CC(=O)NN=C(C)c2ccc(Br)s2)cc1 |w:10.9|

CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1cccnc1

Cc1cc(ccc1NCc1ccc2OCCOc2c1)[N+]([O-])=O

Fc1ccc(OCCCCCn2ccnc2)cc1

Cc1cc(=O)n2[nH]c(Nc3cccc(Cl)c3)nc2n1

Cc1csc(NC(=O)Cc2ccc(Br)cc2)n1

[O-][N+](=O)c1ccccc1\C=C\C(=O)N1CCOCC1

Cc1cc2nc([nH]c2cc1C)C(=C/c1ccc(o1)-c1ccccc1C(O)=O)\C#N

COc1ccc(cc1)N1C(=O)c2cccc3cccc(C1=O)c23

COc1ccc(OC)c(\C=C2/N=C(OC2=O)c2ccccc2)c1 |c:11|

CCCCON1C(=O)c2cccc3cccc(C1=O)c23

COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccc(OC)cc1

CCOc1ccc(cc1)N=C(N)Nc1nc(C)cc(C)n1 |w:9.9|

COc1cc(N=Cc2c(O)c3ccccc3oc2=O)c(OC)cc1Cl |w:5.4|

COc1ccc(cc1OC)C1CC(=NN1C(=O)CCC(O)=O)c1ccc(Br)cc1 |c:13|

Oc1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1

FC(F)(F)c1ccc(Cl)c(NC(=O)c2cccnc2)c1

CCN1\C(Sc2ccc(OC)cc12)=C1\SC(=S)N(CC=C)C1=O

COC(=O)Cn1cc(\C=C\c2cc[n+](C)cc2)c2ccccc12

COc1ccc(cc1C)C1C(C#N)C(=N)Oc2cc(O)ccc12

CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)C(C)(C)C)C(N)=O |c:5|

OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)NCc2ccccc2)c2ccccc2)cc1 |c:11|

CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Br)cc(Br)cc23)C(=O)C1 |t:8|

Cc1cc(C)cc(c1)C(=O)Nc1cccnc1Cl

OC(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12

CC1C(NC(C(C)C1=O)c1cc(Br)ccc1O)c1cc(Br)ccc1O

Clc1ccc(cc1)C(=O)C[n+]1ccn(C=C)c1

[O-][N+](=O)c1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1

CN(c1ccccc1)S(=O)(=O)c1ccc2n(C)c(=O)oc2c1

Cc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cccc(c1)[N+]([O-])=O

OCCN1CCN(CC1)c1nc2ccccn2c(=O)c1C=O

CC(C)OC(=O)Cc1ccc(cc1)N=C(N)Nc1nc(C)cc(C)n1 |w:13.13|

Cn1c2ccccc2c(O)c(C(=O)NCc2ccccc2Cl)c1=O

CC(=O)c1cccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1

CCC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2C)cc1

Cc1cccc(C)c1NC(=O)Cc1cccs1

COc1cc(C)c(C)cc1S(=O)(=O)N1CCCc2ccccc12

Cc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1ccc(cc1)[N+]([O-])=O

Cc1ccc(Cl)cc1N(CC(=O)N1CCOCC1)S(C)(=O)=O

COc1cccc(OC)c1C(=O)N1CCN(Cc2cccnc2)CC1

COc1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)Nc2ccc(OC)cc2OC)c(OC)c1

[O-][N+](=O)c1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1

COc1ccc(cc1C(O)=O)S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O

COc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCCC1

CC1(C)N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N(Cc1ccccc1)C2=O

COC1(OC)C=CC(=O)C=C1NC(=O)c1ccccc1OC(C)=O |c:5,9|

Oc1ccc2oc(=O)cc(CN3CCN(Cc4ccccc4)CC3)c2c1

C=CCOc1ccc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1

COc1cccc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1OC

COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c2ccccc12 |w:8.7|

CC(C)COc1ccc(CNC(=S)Nc2ccccc2)cc1Cl

CC(C)(C)N=Cc1c(O)ccc2oc3CCCCc3c12 |w:4.3|

[H]C12CC([H])(C=C1)[C@@]1([H])C(=O)N(C(=O)[C@@]21[H])c1ccc(OC(=O)C(C)=C)cc1 |c:5,TLB:12:14:2:5.6,THB:9:7:2:5.6|

CC(=O)C1C(N(Cc2ccccc2)C(=O)C1=O)c1ccc(F)cc1

COc1ccc(cc1)C(CC(O)=O)c1ccc2OCOc2c1

NC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1

COc1ccc(cc1OC)C1CC(=NN1C(=O)c1ccccc1)c1cccs1 |c:13|

COCCCNC(=O)[C@H]1N2C(SC1(C)C)c1ccccc1C2=O

CC(C)CN1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O

O=c1c2ccccc2sc2ccc(NCCCN3CCOCC3)cc12

COc1ccc(cc1)-c1oc2ccc(cc2c1C#CCO)-c1ccc(OC)cc1

COc1ccc2n(c(C)c(C(O)=O)c2c1)-c1ccc(Cl)cc1

COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(=O)c2cc(C)c(C)cc2o1

COc1ccc(Cn2cc(O)n(-c3cccc(Cl)c3)c2=S)cc1OC

Cc1ccc(cc1)-c1ccc(=O)n(Cc2cc(C)ccc2C)n1

COc1ccc(cc1[N+]([O-])=O)C(=O)CC1=NCCc2cc(OC)c(OC)cc12 |t:15|

COc1ccc(Cc2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1OC

Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O

CC(=O)c1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1

COc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1ccccc1O

CC(C)(C)C1COc2ccccc2N1C(=O)c1ccccc1Cl

FC(F)(F)c1ccccc1-c1nc(no1)-c1ccncc1

OC(=O)c1cnn(-c2nc(cs2)-c2ccc(Cl)c(Cl)c2)c1C(F)(F)F

Cc1cc(O)c(cc1C)C1(O)C(=O)Nc2cc(Br)ccc12

COc1ccc(CNC(=O)CN2CCN(CC2)c2ccc(F)cc2)cc1

COc1cccc(CN2C(=O)C(C)N(C(=O)c3ccccc3)c3ccccc23)c1

COC(=O)c1ccc(CN2C(=O)C(C)N(C(=O)c3c(F)cccc3F)c3ccccc23)cc1

CCOC(=O)c1cc2c(nc1C)oc1ccc(C)cc1c2=O

COC(=O)c1scc(C)c1NC(=O)c1ccccc1F

COc1ccc(C=C2CCC(C3CCCC3)C2=O)cc1OC |w:6.5|

CC1=NC(=O)NC(C1C(=O)OC(C)(C)C)c1cccc2ccccc12 |t:1|

[O-][N+](=O)[C-](C(=O)C(Cl)Cl)C1=[N+](Cc2ccc(Cl)nc2)CCN1Cc1ccc(Cl)nc1 |c:9|

COc1ccc(\C=C2/CCC\C(=C/c3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC

COc1cc2CCn3c(cc(Nc4ccc(cc4)C(O)=O)nc3=O)-c2cc1OC

CC(C)OCCCNC(=O)CCC(=O)Nc1ccc2nc(cc(C)c2c1)N1CCN(C)CC1

COc1cc(OC)c(\C=C2\Cc3ccccc3C2=O)cc1OC

OC(=O)c1sc(cc1NC(=O)c1cccc(F)c1)-c1ccccc1

COc1ccc(cc1)N1C(SCC1=O)c1ccc(cc1)[N+]([O-])=O

Cc1nn2c(N)c(cnc2c1-c1ccc(Cl)cc1)-c1ccccc1

COc1ccc(cc1OC)-c1c(C)nn2c(cc(C)nc12)N1CCCCCC1

Cc1cc(ccc1F)S(=O)(=O)c1cc2ccc(O)c(C)c2oc1=O

[#6]-[#6]-[#8]-[#6](=O)-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-2=O)c2ccccc12

[H]C12CCC([H])(C1)C(CNS(=O)(=O)c1ccc(F)cc1C)C2 |TLB:8:7:6:3.2|

CCOC(=O)NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1

CC1CC(C)CN(C1)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1

Cc1ccc2[nH]c(C(=O)N\N=C\c3ccccc3C(O)=O)c(-c3ccccc3)c2c1

OC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc12

CC(C)CC(NC(=O)C(\NC(=O)c1ccc(Br)o1)=C\c1ccco1)C(O)=O

CCOC(=O)c1sc(NC(=S)NC(=O)c2cccc(OC)c2)nc1C

Clc1cccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1

[O-]c1ccc(\C=[NH+]\NC(=O)CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1

[O-][N+](=O)c1cccnc1Sc1ccc(Cl)cc1

O=C1NCCCCC1NS(=O)(=O)c1cccc2ccccc12

[O-][N+](=O)c1cccc(c1)C(=O)NNC(=S)NC(=O)c1ccccc1Cl

COc1ccc(cc1)-n1c(O)cc(c1O)-c1ccc(cc1)[N+]([O-])=O

CC(C)(CNC(=O)c1cc(Cl)c(O)c(Cl)c1)N1CCCCC1

CN(Cc1ccc(C)o1)C(=O)CCc1c[nH]c2ccccc12

CCN1C(=O)N(Cc2ccc(OC)c(F)c2)C(=O)C1=O

CCOc1ccc(NC(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(F)F)cc2)cc1

COc1ccccc1CN(C)C(=O)C(c1ccccc1)c1ccccc1

CC1(NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O)c1ccc(OC(F)F)cc1

Cc1cc(\C=C(\C#N)C(O)=O)c(C)n1-c1cccc2ccccc12 |(8.65,.99,;7.18,.52,;6.71,-.95,;5.17,-.95,;4.26,-2.2,;4.89,-3.6,;3.99,-4.85,;3.08,-6.09,;6.42,-3.76,;7.05,-5.17,;7.33,-2.52,;4.69,.52,;3.23,.99,;5.94,1.42,;5.94,2.96,;4.61,3.73,;4.61,5.27,;5.94,6.04,;7.27,5.27,;8.65,6.09,;10.04,5.3,;10.04,3.7,;8.65,2.91,;7.27,3.73,)|

Cc1ccc(cc1S(=O)(=O)Nc1nc2ccccc2nc1Cl)C(C)(C)C

CCCCOc1ccc(cc1OC)C(=O)NCC1(CCCCC1)N1CCCCC1

OC(=O)c1ccccc1NC(=O)c1ccccc1Nc1ccccc1

Cn1c(N)c(-c2ccccc2)c2ccc(cc2c1=O)[N+]([O-])=O

CC(C)CNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O

CC(C)(C)C(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C#N

NC(=O)c1c(NC(=O)c2ccccc2)sc2CN(Cc3ccccc3)CCc12

Oc1ccc(cc1CNC(=O)c1ccc(Oc2ccccc2)cc1)[N+]([O-])=O

CNS(=O)(=O)c1cccc(c1)C(=O)NCC(N(C)C)c1ccco1

Cc1ccc(c(C)c1)-n1c(O)cc(=O)[nH]c1=O |(5.75,-5.39,;5.75,-3.85,;7.08,-3.08,;7.08,-1.54,;5.75,-.77,;4.41,-1.54,;3.08,-.77,;4.41,-3.08,;5.75,.77,;7.08,1.54,;8.41,.77,;7.08,3.08,;5.75,3.85,;5.75,5.39,;4.41,3.08,;4.41,1.54,;3.08,.77,)|

COc1ccc(OCC(O)CN2CCc3ccccc3C2)cc1

COC(=O)CN1C(=O)COc2ccc(cc12)S(=O)(=O)NCc1ccc(Cl)cc1

COc1ccc(cc1C)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCCc1ccccc1

CC1CN(Cc2ccccc2)c2nc3n(C)c(=O)n(CC(C)=C)c(=O)c3n2C1

COc1ccc(CCNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2ccc(OC)cc2)cc1

CCCn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2Cl)c1=O

[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12

CC(NC(=O)c1ccco1)c1nc(no1)-c1cccc(C)c1

OC(=O)CCNc1nc(-c2ccccc2)c2cc(Br)ccc2n1

Fc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:14.15|

S=c1[nH]nc2n1c1ccccc1[nH]c2=S

Nc1c2CN(Cc3ccccc3)CCc2nc2ccccc12

CC(=O)c1cccc(Nc2nc3ccccc3n3cnnc23)c1

CCOc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:16.17|

Cc1[nH]c(=O)c(cc1-c1csc(n1)-c1ccccc1)C#N

[O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(F)cc(F)cc2s1

OCCCNC(=O)C(=O)Nc1cc2CCN3c2c(CCC3=O)c1

O=c1n(c(SCC#N)nc2sccc12)-c1ccccc1

CCc1ccc(NC(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)cc1

CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1

COC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@H]1c1cccc(F)c1 |c:4|

CC(=O)N1CCc2cc(ccc12)S(=O)(=O)CCC(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O

Cc1cc(C)cc(NC(=O)Cn2nnc(C(=O)NCc3ccc(F)cc3)c2N)c1

COc1ccc(CCNC(=O)c2cccc3CN(C4CCCCC4)C(=O)c23)cc1OC

CCOC(=O)c1ccc(NC(=O)c2cccc3CN(CC4CCCO4)C(=O)c23)cc1

COc1ccc(cc1)N(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1c(C)noc1C

CCC1CCCCN1CCCNC(=O)c1cn(C)c2ccc(cc2c1=O)S(=O)(=O)N(C)C1CCCCC1

CCCCCCC1=Cc2c\c(=C(\N)NNC(=O)c3ccncc3)c(=O)oc2=CC1=O |c:28,t:6|

Brc1ccc(\C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1

CCn1cc(C(=O)NCCCN(CC(C)C)CC(C)C)c(=O)c2cc(ccc12)S(=O)(=O)N(C)C1CCCCC1

CC1CC(C)CN(C1)C(=O)CS(=O)Cc1nc(oc1C)-c1cccc(C)c1

Fc1ccc(OCC(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)cc1

Cc1ccc(c(C)c1)S(=O)(=O)c1nnn2c1nc(N1CCOCC1)c1ccccc21

CC(NC(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12)c1ccccc1

Cc1cccc(NC(=O)Cc2ccc(NC3=NC4CS(=O)(=O)CC4S3)cc2)c1 |t:15|

Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCCC(=O)NCc1ccc(F)cc1

COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3n(C)c(=O)c(=O)n(C)c3c2)cc1

CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nnc(o1)-c1ccc(C)cc1

CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cc1

CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)s1

CCC(C)NC(=O)Cn1cnc2sc(C)c(c2c1=O)S(=O)(=O)N1CCCCC1

CCOc1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1

CC1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccs1

Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1cccc(Cl)c1C

CNC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)noc1\C=C\c1ccc(OC)cc1

Fc1ccc(cc1)S(=O)(=O)NCC1CCC(CC1)C(=O)NC1CCCC1 |(4.62,-9.66,;4.62,-8.12,;3.29,-7.34,;3.29,-5.8,;4.62,-5.03,;5.95,-5.8,;5.95,-7.34,;4.62,-3.49,;3.08,-3.49,;6.16,-3.49,;4.62,-1.95,;5.95,-1.18,;5.95,.36,;7.29,1.13,;7.29,2.67,;5.95,3.44,;4.62,2.67,;4.62,1.13,;5.95,4.98,;4.62,5.75,;7.29,5.75,;7.29,7.29,;8.53,8.19,;8.06,9.66,;6.52,9.66,;6.04,8.19,)|

CCOC(=O)N1CCN(CC1)C(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N(C)c1cccc(C)c1

COc1ccccc1CCNC(=O)CCn1nc(C)c2c(C)n(nc2c1=O)-c1ccccc1

CC(C)NC(=O)CN1C(=O)CSc2ccc(cc12)S(=O)(=O)N1CCCC1

CC1CC(C)CN(C1)S(=O)(=O)N1CCCC(C1)C(=O)NCCc1ccc(C)cc1

CC1CCCN(CCCNC(=O)CN2C(=O)CSc3ccc(cc23)S(=O)(=O)N2CCOCC2)C1

CC1CCCCC1NC(=O)CCCCCn1c(=S)[nH]c2ccsc2c1=O

CCOc1ccc(CCNC(=O)c2cccc(NC3=NC4CS(=O)(=O)CC4S3)c2)cc1OCC |t:18|

CC1CCN(CC1)S(=O)(=O)c1ccc2SCC(=O)Nc2c1

CC(CNC(=O)c1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1)c1ccccc1 |t:11|

Cc1ccc(NC(=O)c2cc(NC(=O)\C=C/C(O)=O)ccc2N2CCCCC2)cc1

CN(Cc1cccc(Cl)c1)C(=O)C1CCC(=O)N(C1)C1CC1

Fc1ccc(NC2CCCN(C2)C(=O)C2CCCC2)cc1

COc1ccc(cc1)N1CCN(CCCNC(=O)C(=O)c2c(C)[nH]c3ccccc23)CC1

Clc1ccc(CN2CC(CCC2=O)C(=O)NCCc2cccnc2)cc1

COc1ccccc1OCC(=O)NCC1CCCN(C1)C(=O)c1ccccc1C(C)=O

CCN1CCN(CC1)C(=O)CCc1c(C)c2c(C)nn(-c3ccccc3)c2n(CC)c1=O

COc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCC1

COc1ccccc1CNC(=O)CCc1nnc2ccc(NCCCN3CCCC3=O)nn12

CN(C1CCCCC1)C(=O)CCS(=O)(=O)c1ccc2n(C)c(=O)oc2c1

CCN(C(=O)CCc1nnc2ccc(nn12)N1CCC2(CC1)OCCO2)c1ccccc1

CCc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cn1)-c1cc(C)no1

CC(CCc1ccco1)NC(=O)CCc1nnc2ccc(NCc3ccccc3)nn12

Fc1ccccc1N1CCN(CC1)C(=O)CCc1nnc2ccc(NCc3ccco3)nn12

CCOc1ccc(cc1)N1CC(CC1=O)C(=O)NCc1nnnn1-c1ccc(C)c(C)c1

COc1cccc(CN2CC(CCC2=O)C(=O)NCc2ccc(Cl)s2)c1

CCN1CCSc2ccc(cc12)C(=O)NCc1ccccc1F

Cc1ccc(cc1)S(=O)(=O)c1nc(sc1N1CCOCC1)S(C)(=O)=O

Oc1ccccc1CN1CCCC(C1)C(=O)Nc1ccccc1Oc1cccnc1

Nc1c(oc2ccccc12)C(=O)N1CCCCCC1

Cc1n(Cc2ccccc2)c(C)c2c1cnn(CC(=O)NC1CCCC1)c2=O

COCCN1CCN(CC1)C(=O)c1cc(COc2cc(C)ccc2C)on1

Cc1ccc(NC(=O)Cn2ncn3c(cc4ccccc34)c2=O)cc1F

Cc1cc(=O)n2nc(sc2n1)N1CCC(CC1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F

CCCN1CCN(CC1)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1

O=c1ccc2cc(ccc2[nH]1)S(=O)(=O)NCc1ccccc1

COc1ccc(cc1)N1CCN(CC1)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1

Cc1ccc(CN(C2CCS(=O)(=O)C2)C(=O)c2ccccc2[N+]([O-])=O)o1

CCC(C(=O)NCCN1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n12

COc1cccc(NC(=O)c2cc(cn2C)S(=O)(=O)N2CCc3ccccc23)c1

CC1CCCCC1NC(=O)CCS(=O)(=O)c1cc2OCC(=O)Nc2cc1C

CC(=O)N1CCOc2cc(c(Cl)cc12)S(=O)(=O)N1CCN(CC1)c1ccccc1

Clc1cccc(CS(=O)Cc2ccc(o2)C(=O)NCc2cccs2)c1

CN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(F)cc2)s1

CCOc1ccc(NC(=O)CCCN2C(=O)C(Oc3cccnc23)c2ccccc2)cc1

Cc1ccc2OCCN(C(=O)CCC(=O)N3CCN(CC3)c3ccccn3)c2c1

Cc1ccccc1NS(=O)(=O)c1cc2OCC(=O)Nc2cc1C

CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N(C)CC(=O)NC1CCCC1

Cc1ccc2n(ncc2c1)C(=O)CCC(=O)N1CCCCC1

CC(=O)N1CCOc2ccc(cc12)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(C)cc1

CCOc1ccccc1N(C)C(=O)Cn1ncc2c3ccccc3[nH]c2c1=O

COc1cc(cc(OC)c1OC)C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1

CCOc1ccc(CCNC(=O)C2CCCN(C2)c2ncnc3n4CCCCCc4nc23)cc1

[H]C12CCC([H])(C1)C(C2)C=NNC(=O)C1CC1c1ccccc1 |w:10.12,TLB:9:7:6:3.2|

CCN(C(=O)CN1C(=O)COc2ccc(cc12)S(=O)(=O)N1CCCCCC1)c1cccc(C)c1

CCOC(=O)C(Cc1ccccc1)NC(=O)CCc1nnc2ccc(nn12)N1CCCC1

COc1cc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OCCOc1ccc(C)cc1 |w:5.4,c:12,t:9|

COc1cccc(C2CC(=NN2C(=O)c2ccco2)c2cccs2)c1O |c:9|

Cc1ccc(cc1)S(=O)(=O)Nc1cc(=O)[nH]c(SCC(=O)Nc2cccc(c2)C(F)(F)F)n1

Cc1ccnc(n1)N1CCCC(C1)C(=O)NC1CC1

Clc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCC2)nc1

CC(=O)C(C(C)=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1

COc1ccc(N(C(C(=O)NC2CCCC2)c2ccc(cc2)N2CCOCC2)C(=O)c2ccco2)c(OC)c1

CCOCCCN(CC(=O)NC1CCCC1)C(=O)C(=O)Nc1ccc2OCCOc2c1

COCCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccoc1C

Cc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(O)c1

Cn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2F)c1=O

COc1ccccc1S(=O)(=O)Cc1ccc(o1)C(=O)NCc1ccccc1

Fc1ccccc1CN1CCC(CNC(=O)Cn2ncc3c4ccccc4[nH]c3c2=O)CC1

Clc1ccc(cc1)C(=O)Nc1nnc(s1)S(=O)(=O)N1CCCCC1

CC1CCN(CC1)S(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1

CCCn1cc(c(=O)c2cc(OCC)ccc12)S(=O)(=O)c1ccccc1

COc1cc2[nH]c(=O)n(CCCCCC(=O)NC3CCCC3)c(=O)c2cc1OC

CCOc1ccc(CNC(=O)CCC(=O)N2Cc3cccc(OC)c3Oc3ncccc23)cc1

CCOC(=O)C1CCN(CC1)c1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1cc(OC)ccc1Br

CSc1ccc(CCNC(=O)c2ccc(CS(=O)Cc3ccc(Cl)cc3)o2)cc1

Cc1c(sc2ncn(CC(=O)N3CCOCC3)c(=O)c12)C(=O)Nc1cccc(c1)[N+]([O-])=O

Cc1c(sc2ncn(CC(=O)N3CCCCC3)c(=O)c12)C(=O)Nc1c(F)cccc1F

Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1ccc(C)cc1)c1ccc(C)cc1

CCOc1ccc(cc1)N(CC(=O)NC1CCC(C)CC1)S(=O)(=O)c1c(C)noc1C |(11.08,-6.29,;11.08,-4.75,;12.42,-3.98,;12.42,-2.44,;11.08,-1.67,;11.08,-.13,;12.42,.64,;13.75,-.13,;13.75,-1.67,;12.42,2.18,;11.08,2.95,;9.75,2.18,;9.75,.64,;8.41,2.95,;7.08,2.18,;7.08,.64,;5.75,-.13,;4.41,.64,;3.08,-.13,;4.41,2.18,;5.75,2.95,;13.75,2.95,;12.98,4.29,;14.52,1.62,;15.08,3.72,;15.24,5.26,;14.1,6.29,;16.75,5.58,;17.52,4.24,;16.49,3.1,;16.81,1.59,)|

COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(OC)cc2)c2ccccc12 |w:8.7|

Brc1ccc(cc1)N1CC(CC1=O)C(=O)N1CCCC1

CC(C)NC(=O)CN1CCN(CC1)C(=O)c1cc(COc2ccc(C)nc2)on1

CC1CCC(CC1)NC(=O)C1CN(C(=O)C1)c1ccc(C)cc1 |(3.08,8.08,;3.99,6.84,;5.52,7,;6.42,5.75,;5.8,4.35,;4.26,4.18,;3.36,5.43,;6.7,3.1,;6.07,1.69,;4.54,1.53,;6.98,.45,;6.5,-1.02,;7.75,-1.92,;9,-1.02,;10.46,-1.49,;8.52,.45,;7.75,-3.46,;6.42,-4.23,;6.42,-5.77,;7.75,-6.54,;7.75,-8.08,;9.08,-5.77,;9.08,-4.23,)|

COc1ccc(NC2CCCN(C2)C(=O)c2cccc(C)n2)cc1OC

CSc1ccccc1OCc1cc(no1)C(=O)NCc1csc(n1)C(C)C

Clc1cccc(CNC(=O)C2CCC(=O)N(CC3CCCCC3)C2)c1

Cc1ncsc1C(=O)N1CCCC(C1)C(=O)c1ccc2ccccc2c1

Cc1ccc(cn1)C(=O)NCCNC(=O)c1ccc(F)cc1

COC(=O)c1ccc(cc1)C(=O)NC1CCCc2c1cnn2-c1ccc(C)c(C)c1

Cc1ccc(cc1)S(=O)(=O)NCC(=O)N(CC(=O)NCc1ccco1)Cc1ccccc1

Cc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccncc1)C(=O)Cn1nnc(n1)-c1ccccc1F

Cc1nc(C)c(s1)C(=O)N(C(C(=O)NCC1CCCO1)c1ccccc1)c1cccc(C)c1

COc1ccccc1N1CCN(CC1)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1

COc1ccc(cc1S(=O)(=O)N1CCN(CC1)C(=O)c1ccco1)-c1cc(C)no1

Clc1ccc(CCNC(=O)CNS(=O)(=O)c2cccs2)cc1

Fc1ccccc1N1CCN(CC1)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1

Oc1ccc(Br)cc1NC(=O)c1cc(on1)-c1ccc2OCOc2c1

Fc1ccc(cc1)N1CCN(CC1)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1

CCOC(=O)c1cc(cn1C)S(=O)(=O)Nc1ccc(F)cc1F

CCCCNC(=O)c1cn(CC)c2ccc(cc2c1=O)S(=O)(=O)N1CCCCCC1

Clc1ccccc1C(=O)Nc1nnc(s1)S(=O)(=O)Nc1ccccc1

COc1ccc(cc1)N1CCN(CC1)C(=O)CCS(=O)(=O)c1ccc2OCC(=O)Nc2c1

COc1ccc(cc1OC)N(CC(=O)NCCSc1ccccn1)S(=O)(=O)c1ccc(C)cc1

Clc1ccc2OCCN(C(=O)CCC(=O)NCc3ccccc3)c2c1

Cc1ccc(cc1C)S(=O)(=O)c1nnn2c1nc(N1CCOCC1)c1ccccc21

CN1C(=O)C(C)(C)c2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1cc(C)ccc1C

COc1cccc(CNC(=O)CN(c2ccc(cc2)C(C)C)S(=O)(=O)c2c(C)noc2C)c1

CC(=O)c1ccc(NC(=O)CCc2nnc3ccc(nn23)N2CCC3(CC2)OCCO3)cc1

Cc1[nH]c(C)c(c1C(=O)N1CCCCC1)S(=O)(=O)NCCc1ccccc1

Cc1c(C(=O)N2CCOCC2)c(c(C)n1C)S(=O)(=O)Nc1ccc(Br)c(C)c1

COc1cccc(C2C(C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCN2CCOCC2)c1OC

CCN1CCN(CC1)C(=O)C1=CC(=NS(=O)(=O)N1C)c1ccc(OC)cc1 |c:13,t:11|

O=C(CCC(=O)N1CCOc2ccccc12)NC1CCCCCC1

COc1cccc(CN2CCC(CC2)Oc2ccc(cc2)C(=O)NCc2ccccn2)c1O

CN(Cc1cn(C)nc1C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1

Cc1cccc(C)c1N1CCN(CC1)C(=O)c1ccc2OCOc2c1

Fc1cccc(CCN2CC(CCC2=O)C(=O)NCCc2cn[nH]c2)c1

COc1ccc(cc1C(=O)N(C)Cc1ccc(cc1)C(C)(C)C)S(=O)(=O)N1CCCCCC1

Oc1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1

COc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)cc1

CCn1c(SCC(=O)NC2CC2)nnc1-c1ccncc1

CC1CN(CC(C)O1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(C)cc1

COc1ccc(NC(=O)CN(C)C(=O)CSc2ccc3OCCOc3c2)cc1

CCOc1ccccc1N(CC(=O)N1CCC(CC1)C(N)=O)S(=O)(=O)c1ccc(SC)cc1

Brc1ccccc1CSCC(=O)NNC(=S)NCc1ccco1

CCOc1ccccc1NC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1

Cc1ccccc1[N+]([O-])=O

CC(C)C(NC(=O)c1ccco1)C(=O)NC1CCCCCC1

COc1ccc(cc1)C(=O)Nc1ccnn1C1CCN(CC1)C(=O)CCC=C

OCC1(CCc2ccccc2)CCCN(C1)C(=O)c1cccs1

COc1ccc(cc1OC)-c1csc(NC(=O)CN2C(=O)C3CC=CCC3C2=O)n1 |c:24|

Cc1cc(C)n(n1)C(=O)CNC(=O)c1ccccc1Br

CCCn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1=O

CSCCC(NC(=O)c1ccco1)C(=O)N1CCC(=CC1)c1ccccc1 |c:19|

CCOCc1cc(CN2CCCC(CNC(=O)c3ccco3)C2)ccc1OC

Cn1cc(CN2CCCC(C2)C(=O)Nc2cccc(c2)-c2cc3ccccc3[nH]2)cn1

Cc1ccnc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCC2)c1

CN(CCOc1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1

Cc1ccccc1N1CCN(CC1)C1CCCN(C1)C(=O)c1cn2c(C)cccc2n1

COCc1ccc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cscn2)o1

CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2c(C)onc2CC)c(=O)[nH]c1=O

CN(Cc1ccccn1)C(=O)C1CCC(=O)N(Cc2cccc(c2)C(F)(F)F)C1

Cc1nn(c(C)c1NC(=O)COC(=O)c1ccccc1OC(F)F)-c1ccccc1

COc1ccccc1N1CCN(CC1)C1CCCN(C1)C(=O)c1cc(on1)C1CC1

Clc1ccc(CN2CCCC(C2)NC(=O)CCN2CCCCC2=O)cc1

COc1cc2ccccc2cc1C(=O)N\N=C\c1ccc2OCOc2c1

Cc1ccc(o1)C(=O)NCc1cccnc1

CCC1(NC(=O)N(CC(=O)Nc2ccc(OC)nc2)C1=O)c1ccccc1

CCOc1ccc(NS(=O)(=O)c2ccc(cc2)C(=O)NCC2(CCCCC2)N2CCCCC2)cc1

Fc1ccccc1-n1ncc2C(CCCc12)NC(=O)CCN1CCCC1=O

Oc1ccccc1C1CC(=NN1C(=O)c1ccco1)c1cccs1 |c:10|

Cc1cccc(NS(=O)(=O)c2cccc(c2)C(=O)N2CCN(CC2)c2ccccn2)c1

CSc1ccc(\C=C\C(=O)N2CCN(CC2)c2ccccn2)cc1

CSc1ncccc1C(=O)N(C)CC(=O)Nc1cccc(F)c1

Fc1ccccc1C(=O)NC(=S)Nc1c(Cl)ccc2nsnc12

CCCCn1c2nc3c(C)cccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(Br)cc1

COc1ccc(CN(C2CCS(=O)(=O)C2)C(=O)c2ccc(C)cc2)cc1

CCc1noc(C)c1C(=O)N1CCS\C1=N/c1cccc(Cl)c1C