Compound Name

SMILES String

Oc1ccccc1N=C1C(Cl)C(=O)N(C1=O)c1ccccc1 |w:7.7|

CC(C)OC(=O)CC(=O)c1sc2nc3CCN(C)Cc3cc2c1N

CCCn1c(O)c(CN2CCCCC2)c(C)c(C#N)c1=O

CCC(Oc1ccccc1)C(=O)Nc1ccccn1

O=C(Nc1ccccc1)NC1(CCCCC1)C(=O)NCc1ccc2OCOc2c1

COc1ccc(OC)c(c1)C(=O)c1coc2ccc(O)c(CN3CCOCC3)c12

N=C1C(C#N)=C2CCCCC2C(c2cccnc2)C1(C#N)C#N |t:4|

Cc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1

CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(OC)cc1)c1cccn1C

N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)C(=O)NCC1CCCO1

C(Cc1nc2ccccc2o1)c1nc2ccccc2o1

CC1=CC(C)(C)N2C(=O)C3(c4c2c1cc(C)c4C)C(C#N)=C(N)OC1=C3C(=O)CCC1 |c:27,t:1,23|

Cc1cc(NC(=O)c2sc3nc(C)cc(c3c2N)C(F)(F)F)no1

C1C=CC2C1C(Nc1ccccc21)c1ccncc1 |c:1|

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

CN(C)c1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)S(=O)(=O)C(F)F

COc1cccc(C2C3CN(C)CCC3=C(C#N)C(=N)C2(C#N)C#N)c1OC |t:15|

CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccco3)cc12

OC(=O)c1ccc2C(=O)c3ccccc3-c3ncnc1c23

OC(=O)c1ccc(cc1O)-n1cccc1

COc1ccc(C2C(C#N)C(=N)OC3=C2C(=O)CCC3)c(OC)c1OC |c:13|

CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3OCOc3c2)cc1

Fc1ccc2n(nnc2c1)C1CCN(CC1)C(=O)N1CCOCC1

CCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1nccs1

Cc1ccc2[nH]c(=O)c(CN(CCO)Cc3nnnn3CCc3ccccc3)cc2c1

COc1cc(ccc1OC(C)C)C1C2CN(C)CCC2=C(C#N)C(=N)C1(C#N)C#N |t:21|

Cc1c(CN2CCCCC2)c(O)n(CCCO)c(=O)c1C#N

CCCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cc(OC)ccc1OC |c:6|

COc1cccc(c1)C(=O)NCC1CCN(CC1)c1ccc(cc1)S(=O)(=O)N1CCOCC1

CCCN1CCCc2cc(CN)ccc12

Cc1cccc(c1)-c1c2c(n(C)c(=O)n(C)c2=O)c2cccnn12

COc1cccc(=O)c2c(C)oc(C)c12

N=C1C(C#N)C(C#N)(C#N)C2CCCC(N3CCCCC3)=C12 |t:21|

COc1cc(NCCCC(C)N)c2ncccc2c1

CCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCC2CCCO2)c1=N

COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|

CC(=O)c1c(C)n(c(C)c1C(C)=O)-c1ccc(cc1)C(O)=O

Nc1ccc2NS(=O)(=O)c3ccccc3-c2c1

CC1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccs1 |c:4|

O=C1N(C(=O)c2ccc(N3CCCCC3)c3cccc1c23)c1ccccn1

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

N=C1C(C#N)=C2CCOCC2C(c2cccnc2)C1(C#N)C#N |t:4|

Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1nccs1)c1cccc(OCC=C)c1

Oc1c(C=Nc2ccccn2)c(=O)[nH]c(=O)n1-c1cccc(Cl)c1 |w:4.4|

CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccc(Cl)c1Cl |c:4|

CCCn1c(O)c(CN2CCCC(C)C2)c(C)c(C#N)c1=O

NC(CO)C(=O)NNCc1ccc(O)c(O)c1O

CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1

c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O

c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O

CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C

CCC(NC(C)C)C(O)c1ccc(O)c(O)c1

O=C1C(C(=O)c2ccccc12)c1ccc2ccccc2n1

Cc1nc(N2CCN(Cc3ccccc3)CC2)c(C#N)c2CC(C)(C)OCc12

CC(C)(C)OC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1cccnc1 |c:10|

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

CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccncc1 |c:4|

COc1ccc(cc1)N=CCC(=O)C1C(=O)CC(C)(C)CC1=O |w:8.8|

CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](C2C1)c1cccc(Cl)c1 |c:4|

Cc1ccc(cc1)N=CCC(=O)C1C(=O)CC(C)(C)CC1=O |w:7.7|

Cn1c2ncc(Cl)cc2[nH]c1=O

CC1(C)Cc2nc3[nH]c(=S)n(CC=C)c(=O)c3cc2CO1

CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccsc1)C(N)=O)C(C)=O |c:9,11|

c1ccc(nc1)-c1nnc(nn1)-c1ccccn1

COc1ccc(cc1)P1(=O)Nc2ccccc2N1

COc1[nH]c(N=Cc2ccccc2)c(C#N)c1C#N |w:5.4|

CC(=NC1CCCC1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O |w:2.2|

CC(C)c1cc(Nc2csc(=O)[nH]2)c(C)cc1O

O=C(c1cccs1)c1ccc(s1)-c1cccs1

Brc1cc(coc1=O)C(=O)N1CCCc2ccccc12

O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23

CC1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1

CC1=NC(c2ccccc2)C(C#N)(C#N)C(C1)(C#N)C#N |t:1|

CC(C)OC(=O)c1nn2c(cc(nc2c1Br)-c1ccc(Br)o1)C(F)(F)F

CCN(CC)c1ccc(cc1)N=Cc1c(O)n(-c2cc(OC)ccc2OC)c(=O)[nH]c1=O |w:11.11,(4.41,8.09,;5.75,7.32,;5.75,5.78,;4.41,5.01,;3.08,5.78,;7.08,5.01,;7.08,3.47,;8.41,2.7,;9.75,3.47,;9.75,5.01,;8.41,5.78,;11.08,2.7,;11.08,1.16,;12.42,.39,;12.42,-1.16,;11.08,-1.93,;13.75,-1.93,;13.75,-3.47,;15.08,-4.24,;15.08,-5.78,;16.42,-6.55,;16.42,-8.09,;13.75,-6.55,;12.42,-5.78,;12.42,-4.24,;11.08,-3.47,;9.75,-4.24,;15.08,-1.16,;16.42,-1.93,;15.08,.39,;13.75,1.16,;13.75,2.7,)|

Fc1ccc(CCN2C(=O)NC(=O)C(=CNCCCn3ccnc3)C2=O)cc1 |w:14.14|

O=C1NC(=O)C(=CNCCCn2ccnc2)C(=O)N1CCc1ccccc1 |w:6.6|

CC1CN(CC(C)O1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1

COC(=O)c1[n+]([O-])c2cc(OC)ccc2n(O)c1=O

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

CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(CC=C)C2=O)cc1 |w:10.9|

Cc1c(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(=O)n(-c2ccccc2)n1C |w:4.3|

CCCCCCN1C(=O)NC(=O)C(=CNCCCn2ccnc2)C1=O |w:13.13|

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

CCOc1ccccc1-n1c(O)c(C=Nc2ccc(cc2)N(CC)CC)c(=O)[nH]c1=O |w:14.15,(8.41,-4.24,;9.75,-5.01,;11.08,-4.24,;12.42,-5.01,;12.42,-6.55,;13.75,-7.32,;15.08,-6.55,;15.08,-5.01,;13.75,-4.24,;13.75,-2.7,;12.42,-1.93,;11.08,-2.7,;12.42,-.39,;11.08,.39,;11.08,1.93,;9.75,2.7,;9.75,4.24,;8.41,5.01,;7.08,4.24,;7.08,2.7,;8.41,1.93,;5.75,5.01,;4.41,4.24,;3.08,5.01,;5.75,6.55,;4.41,7.32,;13.75,.39,;13.75,1.93,;15.08,-.39,;15.08,-1.93,;16.42,-2.7,)|

CC1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1

[O-][n+]1c(-c2cc3ccccc3o2)c(=O)n(OCC=C)c2ccccc12

Nc1c(C#N)c(C#N)c(-c2ccccc2)n1-c1ccc(cc1)C(O)=O

N=C1C(C#N)=C2CCOC[C@@H]2[C@@H](c2ccsc2)C1(C#N)C#N |t:4|

Nc1nc(SCc2ccncc2)c(C#N)c(-c2cccs2)c1C#N

Oc1c(CC=C)cccc1C=Nn1cnnc1 |w:11.12|

CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCc2ccccc2)c1=N

CCOC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccsc1 |c:8|

CN1CCc2c(C1)sc1NC(NC(=O)c21)c1ccccn1

CC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1

CCCSc1nnc(NC(=O)Nc2ccccc2)s1

CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C21C(=O)N(CN2CCOCC2)c2ccccc12 |c:6|

CC1CCN(CC1)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(C)cc1

CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccc(C)cc2)c1=N

CCOC(=O)N1CCN(CC1)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(C)cc1

NC(=O)CN1C(=O)[C@@]2(C(C#N)C(=N)OC3=C2C(=O)CCC3)c2ccccc12 |c:14|

CCN(CC)CCNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O |w:8.7|

CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)[C@@]21C(=O)N(CC(N)=O)c2ccccc12 |c:6|

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

Nc1nonc1C(=O)NCCN=Cc1cc(Cc2ccccc2)cc(Br)c1O |w:11.11|

CCOC(C)=Nn1c2nc(C)n(C3CCCC3)c(=O)c2c2nc3ccccc3nc12

CCOC(=O)N1CCN(CC1)\C=C(/C#N)c1nc2ccccc2s1

CCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc12

CN(C)c1ccc(NC=C2C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1 |w:8.7,t:18|

Nc1nnc2CCCCc2n1

CCC(=NCCCN(C)C)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O |w:3.3|

N#C\C(=C/N1CCN(Cc2ccc3OCOc3c2)CC1)c1nc2ccccc2s1

CCc1cc(=O)oc2cc(C)cc(OC(C)C(O)=O)c12

Cc1cccc(c1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1

CCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccncc2)c1=N

[H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccccc1)C(=O)c1ccco1 |c:4|

CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1

COc1ccc(cc1OC)C1C(C#N)=C(OC2=C1C(=O)CC(C)(C)C2)N=CN1CCN(C)CC1 |w:25.27,c:14,17|

COC(=O)[C@H](CCSC)NC(=O)NC1CCN(Cc2ccccc2)CC1

COc1ccc(cc1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCC(C)CC1

CCn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(F)cc1

COc1ccc(cc1)C1C(C#N)=C(OC2=C1C(=O)CC(C)(C)C2)N=CN1CCN(C)CC1 |w:23.25,c:12,15|

CC1(C)CC(=O)C2=C(C1)OC(N=CN1CCOCC1)=C(C#N)C2c1ccccc1 |w:11.11,c:6,t:20|

CC(=O)N1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 |w:14.14|

O=C1NC(=O)C(=CNc2ccc(CN3CCOCC3)cc2)C(=O)N1Cc1ccccc1 |w:6.6|

[H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)NC2=O)C(=O)c1cccs1 |c:4|

CC1=CC(C)(C)N2C(=O)C3(c4cccc1c24)C(C#N)=C(N)OC1=C3C(=O)CC(C)(C)C1 |c:25,t:1,21|

Cc1nn2c(N3CCOCC3)c3CCCCc3nc2c1-c1ccccc1

CC1CN(CC(C)O1)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(C)c(C)c1

Cc1cc(C)c2c(n1)n(Cc1ccccc1)c(=O)[nH]c2=O

CCOC(=O)c1cc(=O)n2nc(nc2s1)-c1ccc(C)cc1

O=C(COC(=O)c1ccc2ncsc2c1)c1ccco1

CCOC(=O)N1CCN(CC1)C1=Nc2cccc3cccc1c23 |t:12|

c1coc(c1)-c1nc2ccccc2nc1-c1ccco1

C=CCn1c(=O)c(=Cc2ccsc2)s\c1=C(/C#N)C(=O)NCCN1CCOCC1

CC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1

Cc1ccc(NC(=O)CSc2nccc(=O)[nH]2)c(c1)S(=O)(=O)N1CCOCC1

O=C(NCc1ccccc1)C(C#N)c1nc2ccccc2nc1N1CCCC1

Cc1c(N=C2Nc3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C |w:3.2|

CC(=N)C(C#N)C(=O)CSc1ncnc2ccccc12

Nc1c(NCCC2=CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 |t:6|

CCOC(=O)c1cc(cc(c1)-n1c(C)cc(C(=O)CN2CCOCC2)c1C)C(=O)OCC

COc1ccc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccccc2)cn1

Cc1cccc(Nc2nc(O)cs2)c1

Nc1nc(SCc2ccccc2)c(C#N)c(-c2ccco2)c1C#N

Cc1ccc(C=c2s\c(=C(/C#N)C(=O)c3ccccc3)n(CC=C)c2=O)o1

CCOC(=O)c1cc(=O)n2nc(nc2s1)-c1ccccc1F

O=c1[nH]n(-c2ncnc3n(ncc23)-c2ccccc2)c(=O)c2ccccc12

Cc1cc(ccn1)N=Cc1c(O)n(-c2ccc3OCOc3c2)c(=O)c2ccccc12 |w:7.7|

O=C1CCCC1=c1sc(=Cc2cccnc2)c(=O)n1-c1ccccc1 |w:5.4,9.10|

Cc1ccc(cc1)C1C2C(Sc3[nH]c(=O)sc13)C(=O)NC2=O

COC(=O)c1cc(cc(c1)-n1c(C)cc(C(=O)CC#N)c1C)C(=O)OC

Cc1onc(c1C(=O)N1CCCc2ccccc12)-c1c(F)cccc1Cl |(3.79,2.37,;4.11,.87,;3.08,-.28,;3.85,-1.61,;5.36,-1.29,;5.52,.24,;6.85,1.01,;8.18,.24,;6.85,2.55,;5.52,3.32,;5.52,4.86,;6.85,5.63,;8.18,4.86,;9.56,5.68,;10.96,4.89,;10.96,3.29,;9.56,2.5,;8.18,3.32,;5.83,-2.76,;4.8,-3.9,;3.3,-3.58,;5.28,-5.36,;6.78,-5.68,;7.81,-4.54,;7.34,-3.08,;8.37,-1.93,)|

CCCCOC(=O)CSC1=C(C#N)C(C(C#N)C(=O)N1)c1ccccc1OCC |c:9|

OC(C#Cc1ccccn1)c1cccs1

Nc1nnc(s1)C(=O)c1ccccc1N

CCn1c(C)cc(=S)c2ccccc12

COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)c(OC)c1

CCOc1ccc(C=c2sc3nc(nn3c2=O)-c2ccco2)cc1OCC

COC1(OC)N=C(N)C2(C#N)C(c3ccc4OCOc4c3)C12C#N |t:5|

OC(=O)c1cccc(c1)-n1cccc1CN=O

CC(=O)c1ccc2cccc3nc(C)[nH]c1c23

Fc1ccc(CS(=O)(=O)Cc2ccc(o2)C(=O)NCC2CCCO2)cc1

CCN(CC)c1ccc(C=NC(C#N)C(=N)C#N)cc1 |w:10.10|

N=C1OC2=C(C(C1C#N)c1ccc(OC(=O)N3CCOCC3)cc1)C(=O)CCC2 |c:3|

CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1cccc(OC(=O)c2ccco2)c1 |c:6|

CCOC(=O)N1CCC(CC1)NC(=O)C(Cc1ccccc1)NC(=O)C1CCCCC1

CCn1nc(C)c(C=C2CCCC3=C2OC(=N)C(C#N)C3c2c(C)nn(CC)c2C)c1C |c:12|

CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1

Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)Nc1cccc(C)n1

CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(C)C1=O |t:13|

COc1cccc(C2C(C#N)C(=N)OC3=C2C(=O)CCC3)c1OC(=O)c1ccco1 |c:14|

COc1cccc(C2C(C#N)C(=N)OC3=C2C(=O)CC(C3)c2ccco2)c1OCc1ccc(F)cc1 |c:14|

CC(=O)Nc1ccc(cc1)N=Cc1nc(oc1O)-c1ccc(C)cc1 |w:10.10|

OC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccccn1 |c:11|

Cn1cc(C=Nn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)c2ccccc12 |w:5.5|

NC1=CC(=O)c2cccc3cccc1c23 |t:1|

CCN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1OC)c2=O

CCN(CC)c1ccc2cc(NC(=O)CCC(O)=O)c(=O)oc2c1

Cc1ccc(C)n1-c1ccc2C(=O)OCc2c1

CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1ccccc1OC(=O)N1CCOCC1 |c:6|

CCN(CC)c1nc(nc(n1)-c1nnn[nH]1)N(CC)CC

COc1cc(ccc1OC(=O)N1CCOCC1)C1C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:26|

Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccs1

CCOc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c2oc(=O)sc2c1

CCOC1(OCC)N=C(N)C2(C#N)C(c3ccc(NC(C)=O)cc3)C12C#N |t:7|

CNc1nnc(s1)-c1cc2ccccc2oc1=O

CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(C(C)C)\c1=N/C(=O)c1ccncc1

COc1ccc(OC)c(C=c2sc3nc(nn3c2=O)-c2cccs2)c1

CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)N2CCCc3cccc1c23 |c:6,t:12|

C=CCn1c(Cc2nc3ccccc3[nH]2)n[nH]c1=S

Clc1ccccc1NC(=O)COC(=O)CCc1c[nH]c(=O)[nH]1

Cc1ccccc1NS(=O)(=O)c1cc(ccc1C)C(=O)N1CCCC1

CC(C)C1Nc2ccc(cc2C2C=CCC12)S(N)(=O)=O |c:13|

Brc1ccc(NC(=O)c2ccc3nccnc3c2)nc1

ClC1=CCC2C(C1)C(=O)N(CCc1ccccc1)C2=O |t:1|

CC(=O)Nc1ccc(cc1)N=CCC(=O)c1ccc(C)o1 |w:10.10|

COc1ccc(OC)c(c1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1

ClC1=CCC2C(C1)C(=O)N(CCC(=O)N1CCCCC1)C2=O |t:1|

CC1C2C(C)N(C)C(=O)N(C)C2N(C)C(=O)N1C

O=C(Cc1ccccc1)Nc1ccc(cc1N1CCOCC1)N1CCOCC1

CC(C)n1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCc2ccco2)c1=N

COc1cccc(CN2C(=O)C3(C(C#N)C(=N)OC4=C3C(=O)CCC4)c3ccccc23)c1 |c:18|

OCCOc1ccc(cc1)C1=NCCO1 |t:11|

COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1

CCOn1c2ccccc2[n+]([O-])c(-c2cc3ccccc3o2)c1=O

CCOc1cc(cc(Br)c1O)C1C(C#N)C(=N)OC(C)=C1C(C)=O |c:20|

O=c1[nH]c(CN2CCc3ccccc3C2)nc2ccccc12

Cc1ccc(C)n1-c1ccc(cc1C)C(O)=O |(3.08,3.19,;4.54,3.66,;5.02,5.13,;6.56,5.13,;7.04,3.66,;8.5,3.19,;5.79,2.76,;5.79,1.22,;7.12,.45,;7.12,-1.09,;5.79,-1.86,;4.46,-1.09,;4.46,.45,;3.12,1.22,;5.79,-3.4,;7.12,-4.17,;4.46,-4.17,)|

CN1CCN(CC1)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(C)c2ncccc12

OC(=O)CCc1ccc(-c2cccs2)n1-c1ccc(cc1)C(O)=O

Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1cc2ccccn2n1

Fc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1 |t:8|

Cc1nc2ccccc2c2oc(cc12)C(=O)Nc1ccc2OCCOc2c1

COc1ccc(cc1)-c1nc(CS(=O)CC(=O)NCc2ccccn2)c(C)o1

Cc1noc(C)c1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1

CCCSc1nnc2nc3n(C)c4ccccc4c3nn12

ClC1=CCC2C(C1)C(=O)N(CC1Cc3ccccc3CO1)C2=O |t:1|

CC1CCc2nn(CC(=O)NCCN3CCCCC3C)cc2C1

Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCOCC1

CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCC(CC1)C(O)=O

Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(F)cc1

Clc1cnc2N3CCCC3C(=O)Nc2c1

Nc1cccc2C(=O)N(C(=O)c12)c1ccccc1

COc1ccc(Nc2ncnc3nc[nH]c23)cc1OC

OC(=O)CCC(=O)NCc1ccc2[nH]c3CCCCc3c2c1

COc1cc(OC)c(cc1OC)C1C(C#N)C(=N)OC2=C1C(=O)CC(C)C2 |c:20|

O=c1[nH]c2Nc3ccccc3N=Cc2s1 |c:12|

ClC1=CCC2C(C1)C(=O)N(CC(=O)NCc1ccccc1)C2=O |t:1|

O=NC1CC2(CC(N=O)C1N=O)OCCO2

Cc1cc(C=Nn2cnnc2)c(C)n1-c1cccc(c1)C(O)=O |w:5.5|

COc1ccc(C2C(C#N)C(=N)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC |c:13|

CCN(C1CCCCC1)C(=O)c1cc(Cl)ccc1OC

O=C(CC1Nc2ccccc2NC1=O)c1ccccc1

O=C(\C=C\N1CCOCC1)c1ccc(cc1)-c1ccccc1

Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1

COc1ccc(C2C(C#N)C(=N)OC3=C2C(=O)CC(C)C3)c(OC)c1OC |c:13|

CCOc1ccc(cc1)-n1c(O)c(C=Nc2ccc(cc2)N2CCOCC2)c(=O)[nH]c1=O |w:14.15|

[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#8]-1)=[#6]-1\[#7]=[#6](-[#8]-[#6]-1=O)-c1ccccc1 |c:10,t:1,4|

OC(=O)C1Nc2c(cccc2C(=O)N2CCOCC2)C2C=CCC12 |c:22|

COc1ccc(cc1OC)C1C(C(=O)c2cccs2)C(=O)C(=O)N1c1nnc(C)s1

N=C1OC2=C(C(C1C#N)c1ccccc1)C(=O)CCC2 |c:3|

Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1

COc1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1c1nncs1

Nc1c(oc2ccccc12)C(=O)c1ccc(Br)s1

O=C1N(C(=O)C2=C1SCCS2)c1ccccc1 |c:5|

COc1cc(OC)c(cc1OC)C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2 |c:20|

Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(cc1)C(O)=O |w:5.5|

CC1CN(CCC1=O)C1CC(C)(C)NC(C)(C)C1

Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(cs3)-c3sc(N)nc3C)cc2)no1

CN1CCCc2cc3c(cc(=O)oc3nc12)C(F)(F)F

CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1ccc(OC(=O)N2CCOCC2)cc1 |c:6|

COC(=O)c1ccc(cc1)-n1c(C)cc(C=Nn2cnnc2)c1C |w:16.17|

COc1ccc2N(C)\C(Sc2c1)=C\C(=O)c1ccncc1

CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1ccccc1 |c:6|

COC(=O)c1c(C)n2Cc3ccccc3Cc2c1C(=O)OC

O=C(C1C(N(C(=O)C1=O)c1ncccn1)c1cccs1)c1ccco1

O=c1oc2c3CCCN4CCCc(cc2s1)c34

c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl

N=C(CC#N)C(C#N)C#N

[H][C@]12Cc3c([nH]c4ccccc34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])(C(=O)C=C3[C@]1(O)CC2)C(C)(C)O |c:28|

CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31

CCOC(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2s1

CC\C(=C/C=C[C@@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H](CC[C@@H]1C)[C@@H](C)C([O-])=O |w:4.3,c:7|

COc1ccc(cc1)-n1nc(cc(-c2nc3ccccc3[nH]2)c1=N)C(=O)c1cccs1

CN(Cc1c(C)nn(C)c1C)C(=O)C1c2ccccc2Oc2ccccc12

CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26|

COc1ccccc1C1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n12 |w:19.20,t:13,16|

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

Cc1ccc(cc1)S(=O)(=O)N(CCCN1CCCC1=O)Cc1cc2c(C)ccc(C)c2[nH]c1=O

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

Cc1nnc(s1)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccc(OCC=C)cc1

Clc1cccc(Cl)c1CSCC(=O)NCC1CCCO1

CCn1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O

Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(C)cc1

NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1

COc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1

Cc1nc(cs1)-c1ccc(O)c(O)c1

COc1ccc(cc1)-c1nnc(o1)-c1cc2c(ccc3ccccc23)oc1=O

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

[O-][N+](=O)c1cccc(c1)C(=O)NNC(=O)c1cnccn1

O=CC(C=Nc1ccccn1)c1nc2ccccc2o1 |w:4.4|

[O-][N+](=O)c1ccccc1C(=O)NNC(=O)c1cnccn1

Cc1ccc2ccc(nc2c1)C1C(=O)c2ccccc2C1=O

O=C(NC(=S)NNC(=O)c1ccco1)\C=C\c1ccco1

O=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2o1

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 |w:4.3|

CCN1CC2C(c3ccccc3C(F)(F)F)C(C#N)(C#N)C(N)C(C#N)=C2C=C1 |c:26,29|

Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(cc1)C(C)(C)C

Cc1ccc(cc1)S(=O)(=O)CCSc1nc(C)cc(c1C#N)C(F)(F)F

CC(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccncc1 |c:11|

C1C(c2cccs2)n2nnnc2N=C1c1ccccc1 |c:14|

CC1CC(C)(C)N2C(=O)C3(c4cc(C)cc1c24)C(C#N)=C(N)OC1=C3C(=O)CC(C)(C)C1 |c:26,t:22|

COc1ccc(\C=C\c2nc3sc4CCCc4c3c(=O)o2)cc1

CCCC(C)NC(=O)c1ccc(cc1)C1SCC(=O)N1Cc1ccco1

Fc1ccc2n(nnc2c1)C1CCN(CC(=O)NCCc2ccccc2)CC1

OCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

CN1C(=S)NC(=O)\C(=C/c2ccc(o2)N2CCCCCC2)C1=O

CCOC(=O)C1C(=O)C(S\C1=N/c1ccccc1)=Cc1cn(CC(=O)N2CCCC2)c2ccccc12 |w:18.20|

OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccco2)c1=O |w:14.15|

[O-]c1c(Cc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)c2ccc(n[n+]12)-c1ccccc1

CC1N(C)c2cccc3cccc(N1C)c23

CCCCOc1c(Br)cc(CN=O)cc1OCC

COC(=O)c1sccc1NC(=O)c1ccc(C)s1

COc1cc(ccc1OC(C)C)C1NC(=S)N=C(C)C1C(=O)OC(C)C |t:17|

CC(CCc1oc2ccc(Cl)cc2c1-c1ccc(C)o1)N=O

Oc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c2oc(cc(=O)c12)-c1ccccc1Cl

O=[#6]-1\[#6](=[#6]/c2cccn2-c2ccccc2)-[#6](=O)-c2ccccc-12

CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 |w:10.9|

Cc1c(NC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C |w:4.3|

Oc1c(C=NCCN2CCCCC2)c(=O)[nH]c(=O)n1-c1ccc(Cl)cc1 |w:4.4|

Cc1ccc(NC(=O)c2sc3nc4CCCc4c(-c4ccco4)c3c2N)cc1

Cc1ccc(cc1)S(=O)(=O)NNc1nc2ccccc2nc1C(F)(F)F

CCN(CC)c1ccc(cc1)N=Cc1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O |w:11.11|

CC1=CC(C)(C)N2C(=O)C3(c4c2c1cc(C)c4C)C(C#N)=C(N)OC1=C3C(=O)CC(C)(C)C1 |c:27,t:1,23|

COc1ccc(C=C2CCCC(C(=O)C(F)(F)F)C2=O)cc1 |w:6.5|

CCOC(=O)C(=O)NCc1ccc(C=c2c(O)c(C(=O)OC)c(=C)n2-c2ccccc2)o1

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

CCN1C(C)=C(C(=O)OC)\C(=C\c2cccs2)C1=O |t:4|

C1CCc2nn3cc(nc3nc2C1)-c1ccccc1

Clc1cc(Cl)cc(NC(=O)CC2Nc3ccccc3NC2=O)c1

NC1=C(C#N)C2(C(=O)N3CCCc4cccc2c34)C2=C(CCCC2=O)O1 |c:1,t:21|

COc1cccc(c1)-n1c(O)c(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)[nH]c1=O |w:13.14|

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

O=C1N(CCCc2nc(no2)-c2ccncc2)C(=O)c2ccccc12

Oc1oc(\C=C\c2cccc(c2)[N+]([O-])=O)nc1\C=N\c1ccccc1

CCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N |c:7,t:2|

Oc1ccc(NCc2n[nH]c(=O)c3ccccc23)cc1

Clc1cccc(CSc2nc3ccncc3[nH]2)c1

COc1ccc(CNC(=O)c2cnc3cc(C)ccn3c2=O)cc1

COc1cc2CCN=C(c3ccc(o3)-c3ccc(Cl)cc3Cl)c2cc1OC |t:7|

CCOC(=O)c1ccc(NC=C2CCCCC2=O)cc1 |w:10.9|

CCOC(=O)C1=C(C)OC(=N)C(C#N)C1c1ccc(O)c(OC)c1 |c:5|

CCc1c(C)nc(SCC(=O)c2cccs2)c(C#N)c1C

CC1CC(C)(C)N2C(=O)C3(c4c2c1cc(C)c4C)C(C#N)=C(N)OC1=C3C(=O)CC(C)(C)C1 |c:27,t:23|

CCOc1ccc(cc1)N=C(C(=C(Cl)C(Cl)Cl)[N+]([O-])=O)n1cncn1 |w:12.13,9.9|

Oc1ccc2ccccc2c1C=Nc1ccc(cc1)N1CCOCC1 |w:12.14|

CCN1C(=S)O\C(C1=O)=C1/C=Cc2ccccc2N1C |c:11|

COc1cc2n(Cc3ccc(C)cc3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1

Cc1ccc(cc1C)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O

NC(=O)c1ccccc1N=CCC(=O)c1ccc(F)cc1 |w:9.9|

Fc1ccc(NCc2cccnc2)cc1F

ClC1=CCC2C(C1)C(=O)N(CCCCCCN1C(=O)C3CC=C(Cl)CC3C1=O)C2=O |t:1,22|

Fc1cccc(Cl)c1COc1ccc(cc1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1ccco1 |c:25|

CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCO)C1=O |t:13|

CCOC(=O)C(=O)NCc1ccc(C=c2c(O)c(C(=O)OC)c(=C)n2-c2ccc(F)cc2)o1

CN(C(=O)c1coc(=O)c2ccccc12)c1cc(C)ccc1C

COc1ccc(cc1)N=C(C(=C(Cl)C(Cl)Cl)[N+]([O-])=O)n1nnc2ccccc12 |w:11.12,8.8|

COc1cc(\C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1F |c:10|

CCOC(CNC(=O)CCc1c(C)nc2nc(C)nn2c1C)OCC

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

CCOc1cc(\C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1F |c:11|

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

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

Brc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:8|

CCN(CC)CCNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O |w:8.7|

O=c1oc2ccccc2cc1-c1nc(cs1)-c1cccs1

CC1=CC(C)(C)N2C(=O)C3(c4cc(C)cc1c24)C(C#N)=C(N)OC1=C3C(=O)CC(C)(C)C1 |c:26,t:1,22|

[#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(o2)-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-1=O

OC(=O)c1ccc(cc1)-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccco1

COc1ccc(cc1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N

COc1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)c1cnccn1

COc1ccc(C=c2sc3nc(nn3c2=O)-c2ccccc2OC)c(OC)c1

Cc1nn(c2N=C3N(C(c12)c1ccc(O)c(O)c1)c1ccccc1N=C3Nc1cccc(C)c1)-c1ccccc1 |c:5,28|

COc1ccc(cc1OC)C1C(C#N)=C(OC2=C1C(=O)CC(C)(C)C2)N=CN1CCOCC1 |w:25.27,c:14,17|

CC1CCCN(C1)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1cccs1

OC(=O)CCC(=O)N1N=C(CC1c1cn(nc1-c1ccccc1)-c1ccccc1)c1cccs1 |c:8|

CCOc1ccc(cc1OC)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |THB:28:27:18.19:12.11|

COc1ccc(cc1OC)C(=O)NC1(C(=O)N(Cc2ccco2)C2=C1C(=O)CC(C)(C)C2)C(F)(F)F |c:25|

CN1CCN(CC1)C=NC1=C(C#N)C(C2=C(CC(C)(C)CC2=O)O1)c1ccccc1 |w:8.9,c:10,t:15|

CC(=NCCN1CCCCC1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O |w:2.2|

C=CCOc1ccc(cc1)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |THB:27:26:17.18:11.10|

COc1ccc2n(CCn3c4ccccc4oc3=O)c3nc4ccccc4nc3c2c1

Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(Cc3cccnc3)c2=N)cc1

CCOC(=O)COn1c2ccccc2[n+]([O-])c(-c2cc3ccccc3o2)c1=O

COc1ccc(\C=C2\C(=O)NC(=O)N(CC=C)C2=O)cc1CSc1ccccn1

CN(C)CCCNC=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O |w:7.6|

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

CC(C)Cc1cc(C)nn1-c1nc2ccccc2c(=O)n1OCc1ccccc1

CCCCCCCCOc1ccc(cc1)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |THB:32:31:22.23:16.15|

CCOP(=O)(OCC)C1(NS(=O)(=O)c2ccccc2)C=C(Cl)C(=O)c2ccccc12 |t:20|

CC(C)C(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O

CC(C)c1ccc(cc1)C1C(C#N)C(=N)N2C(Sc3ccccc23)=C1C#N |c:26|

CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H](C1c1ccc(Cl)c(Cl)c1)C(N)=O)C(C)=O |c:9,11|

COc1ccc(cc1)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |TLB:5:8:15.16:26.24,THB:25:24:15.16:9.8,14:15:9.8:26.24|

COc1ncnc2SC3=C(CC(C)(C)CC3=Nc12)NCCC(O)=O |c:16,t:8|

COC(=O)\C=C1\N(C(=S)N(C1=O)c1nc2ccccc2s1)c1ccc(F)cc1

COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|

COc1cccc(c1)C1N(Cc2ccco2)C(=O)c2oc3ccccc3c(=O)c12

CCN(CC)c1ccc(C=c2sc3nnc(-c4ccccc4C)n3c2=O)cc1

CCCCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc12

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

COc1ccc(cc1)N1C(=O)C(Cl)C(=Nc2ccccc2O)C1=O |w:14.15|

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

CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccc(OC)c(OC)c1

COc1ccc(cc1)N=Cc1c(O)n(-c2cccc(C)n2)c(=O)c2ccccc12 |w:8.8|

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

COc1cc(cc(Br)c1O)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1cccnc1

Nc1c(c(O)cn1-c1ccc(CC(O)=O)cc1)-c1nc2ccccc2[nH]1

Brc1ccccc1C(=O)[C-](C(=S)NCc1ccco1)[n+]1ccccc1

CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O

CCCCn1c2nc(-c3ccc(o3)-c3ccccc3Br)n(CCOC)c2c(=O)[nH]c1=O

CN1C(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2C1=O |w:5.5|

CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cn(nc2-c2cccnc2)-c2ccccc2)c(=O)n1-c1ccc(F)cc1 |w:6.5|

CN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:8.8,1.0|

COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1

COc1cc2CCN=C(c3ccc(o3)-c3ccc(Cl)c(Cl)c3)c2cc1OC |t:7|

O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2cn(-[#6]-[#6]-[#8]-c3ccc4-[#8]-[#6]-[#8]-c4c3)c3ccccc23)-[#6](=O)-[#7]-1

NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)C1CCC=CC1 |c:12,23|

Oc1ccc(cc1O)-c1cn2CCSc2n1

Cc1n[nH]c(C)c1Sc1ccccc1\[NH+]=C\[c-]1cc(Cl)cc([N+]([O-])=O)c1=O

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

Cc1ccc(\C=C(/C#N)C(=O)Nc2ccc(C)cc2C)s1

CCOC(=O)C=c1sc(=Cc2ccc3cc(OC)ccc3c2)c(=O)n1CC(=O)NCC1CCCO1

Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12

COC(=O)C1CSc2[nH]c(=O)sc2C1c1ccccc1

COCCCNC(CC(=O)Nc1cc(C)cc(C)c1)C(O)=O

Cc1ccc(\C=C(/C#N)C(=O)Nc2c(C)cccc2C)s1

Cc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(CN(CCC#N)S(C)(=O)=O)o2)C1=O |w:14.15|

OC(=O)c1cccc(c1)-n1cccc1\C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O

Oc1ccc2ccccc2c1CN=Nc1nnc(-c2ncc[nH]2)c2ccccc12 |w:13.15|

COc1cccc(CN=Nc2ncnc(N)c2[N+]([O-])=O)c1OC |w:9.9|

CCCn1nc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c2ccccc2c1=O

Cc1c(C=NNC(=O)c2cc(=O)[nH]c(=O)[nH]2)c2ccccn2c1C(=O)c1ccccc1 |w:4.4|

Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(Cl)cc2)C(O)=O)[nH]1 |w:7.7|

OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O

COc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccc(Cl)s2)cc1

Oc1ccc2C(=O)N(Cc3ccccc3)C(=O)c3cccc1c23

CCOC(=O)c1nn(-c2ccc(C)cc2)c2nc(Nc3ccccc3)cc(=O)n12

Cc1n(nc2c1c(C)n[nH]c2=S)-c1cccc(Cl)c1

Cc1ccc(NC(=O)COc2ccc(\C=C3\S\C(=N/c4ccccc4)N(Cc4cccnc4)C3=O)cc2)cc1

COC(=O)c1cc2c(c1C(=O)OC)c(-c1ccccc1)c(C)c1ccccn21

CCN1C(=S)S\C(=C/c2c(C)nn(C)c2C)C1=O

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

COc1ccc(\C=C2\N=C(OC2=O)c2cccs2)cc1OC(C)C |c:8|

COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2C1c1cccc(OC)c1 |c:4,t:7,12|

CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(F)cc1 |w:19.21,c:1|

CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)s1

CCOc1ccc(NC=C2C(C)=C(C#N)C(=O)N(CCc3ccccc3)C2=O)cc1 |w:8.7,t:11|

COc1ccccc1NC(=S)NNC(=O)c1cc(C)n(C)n1

Cc1cc(ccc1\C=C1/SC(=O)N(CC=C)C1=O)N1CCOCC1

Cc1ccc(\C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)s1

[#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2cc(-[#6])n(-[#6]-3-[#6]-[#6]-[#6]-[#6]-3)c2-[#6])-[#6]-1=O

Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)C1=O |w:15.16|

CSc1nncc(n1)C(C)N=Nc1ccccc1 |w:11.12|

CCCCNC(=S)NNC(=O)c1cc(C)on1

CN(C)c1ccc(\C=C(\C#N)C(=O)NCc2ccc(C)cc2)cc1

CCCN1C(=O)\C(S\C1=N\c1ccc(OC)cc1)=C\c1ccc(C)o1

COc1cccc(c1)N=Nc1c2[nH]c(C)cc(=O)n2[nH]c1=O |w:9.10|

Brc1ccc(cc1)C(=O)NN1C(Nc2ccccc2C1=O)c1ccccn1

COc1ccc(C2[C-](C#N)C(=[NH2+])OC3=C2C(=O)CC(C)(C)C3)c(c1OC)[N+]([O-])=O |c:13|

Cc1nnc(SC(=Cc2ccc(o2)-c2cccc(Cl)c2)C(O)=O)[nH]1 |w:7.7|

Nc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1

CN1C(=S)NC(=O)\C(=C\c2ccc(o2)N2CCCCC2)C1=O

CS(=O)(=O)Nc1nc2N=C(CC(c3ccccc3)n2n1)c1ccc(Br)cc1 |c:8|

OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O

Clc1ccc(C(=O)Nc2cc(=O)[nH]c3ncnn23)c(Cl)c1

OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O

O=C(Cn1cncn1)NN=Cc1c2ccccc2cc2ccccc12 |w:9.9|

CCc1cc[n+](cc1)-c1[n-]c(=O)sc1C=O

Oc1ccc(CN=Nc2nc3ccccc3c(=O)n2O)cc1 |w:7.7|

Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1

N=C1N2N=CSC2=NC(=O)\C1=C\c1ccc(SCc2ccco2)o1 |c:3,7|

CCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(=O)NC(=O)C(C#N)=C2C)o1 |c:26|

NC(=O)C[n+]1cccc2ccccc12

CN(C)c1ccnc(Oc2ccc(Cl)cc2)c1C#N

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

COC(C(=O)NN=C(C)c1ccc2NC(C3CC=CC3c2c1)c1ccc(cc1)C(=O)OC)c1ccccc1 |w:6.5,c:17|

CN1C(=O)NC(=O)\C(=C/c2cc(C)n(c2C)-c2ccc3OCOc3c2)C1=O

OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1

COc1ccc(\C=C(/C#N)C(=O)NCC2CCCO2)cc1OC

COc1ccc(cc1)C(=O)CC1=NCC2N(CCc3ccccc23)C1=O |t:12|

COc1cc(CN=Nc2ccc(cc2)[N+]([O-])=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 |w:7.7|

Cc1cc(nn1CC(=O)NNC(=S)Nc1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O

CCOC(=O)c1cc(sc1NC(=S)Nc1cc(C)ccn1)-c1ccccc1

CC(=O)Nc1ccc(NC=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 |w:9.8,c:27|

COc1ccc(cc1OC)C(=O)CC=Nc1ccc(cc1C)[N+]([O-])=O |w:14.15|

Cc1ccc2nc3sc(C(=O)N4CCCc5ccccc45)c(N)c3cc2c1

Cc1cccc2cc3c(N)c(sc3nc12)C(=O)Nc1ccc(cc1)N1CCOCC1

CCCCOc1ccc(\C=C2\Sc3ccccc3C2=O)cc1

Fc1ccc2NC(C3CC=CC3c2c1)c1cc2OCOc2cc1Br |c:9|

CC(C)COc1ccc(\C=C2\Sc3ccccc3C2=O)cc1

COC(=O)c1c(C)c(C)sc1NC(=O)CC1Nc2ccccc2NC1=O

Cc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(CN(CCC#N)S(C)(=O)=O)o2)C1=O |w:14.15|

CCOc1ccc(cc1)N=Nc1c2[nH]c(C)cc(=O)n2[nH]c1=O |w:10.11|

Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c(C)c1

Cc1ccccc1NC(=O)CN1C(=O)S\C(=C/c2cccn2-c2cccc(c2)C(O)=O)C1=O

COc1ccc2NC(C3CC=CC3c2c1)c1cc2OCOc2cc1Br |c:10|

Cc1cccc(C)c1NC(=O)CN1C(=O)S\C(=C/c2cccn2-c2cccc(c2)C(O)=O)C1=O

Cc1cc(=O)n2[nH]c(=O)c(N=Nc3ccccc3)c2[nH]1 |w:10.9|

Cc1ccc(cc1C)N1C(=S)NC(=O)C(=Cc2ccc(CN(CCC#N)S(C)(=O)=O)o2)C1=O |w:15.16|

Cc1sc(nc1OC(=O)c1cccc(Cl)c1Cl)-c1ccccn1

Cc1nc(sc1C(=O)CC=Nc1ccc(C)cc1)-c1ccccc1 |w:10.11|

FC(F)(F)c1cc(n2nc(cc2n1)-c1sccc1-n1cccc1)C(F)(F)F

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

CCn1c(SCc2ccc(C)cc2)nnc1C1CCN(CC1)S(=O)(=O)c1ccc(OC)cc1

OC1(CSc2ccc(Cl)cc2)CCN(CC1)S(=O)(=O)c1ccccc1

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

FC(F)(F)c1cc(=O)n(nc1C(=O)Nc1ccccc1)-c1ccccc1

Fc1ccc(cc1)-c1nc2c(Cl)cc(cn2c1Cl)C(F)(F)F

Cc1ccc(NC=C2SC(=O)c3ccccc23)c(C)c1 |w:6.5|

COc1cc(C=Nc2oc(cc2C#N)-c2ccccc2)ccc1O |w:6.6|

[O-][N+](=O)\C=C1/SCC(=O)N1c1ccccc1

CCOC(=O)c1c2ccc(OCC(=O)NN=Cc3ccc(Cl)cc3)cc2n2ccccc12 |w:15.14|

CCOC(=O)c1c2ccc(OCC(=O)NN=Cc3ccc(C)cc3)cc2n2ccccc12 |w:15.14|

CCN(CC)c1ccc(\C=C(\C#N)c2nc3ccccc3[nH]2)c(OC(C)C)c1

COc1ccc(cc1Cn1nc(C)c(c1C)[N+]([O-])=O)C1[C-](C#N)C(=[NH2+])OC2=C1C(=O)CCC2 |c:28|

COC(=O)c1ccc(cc1)-n1c(C)ccc1-c1ccccc1

COc1ccc(C(=O)CC=Nc2ccc(cc2C)[N+]([O-])=O)c(OC)c1 |w:10.10|

CCC(=S)C=C1Sc2ccc3ccccc3c2N1CCCS([O-])(=O)=O |w:4.3|

CN(C)c1ccc(\C=C\C(=O)c2cccc(Br)c2)cc1

Cc1ccc2cc(\C=C3/N=C(OC3=O)c3ccccc3)c(nc2c1)N1CCOCC1 |c:9|

COc1cc(C2[C-](C#N)C(=[NH2+])OC3=C2C(=O)CC(C)(C)C3)c(cc1OC)[N+]([O-])=O |c:12|

c1c(nc2nc(-c3ccccc3)c(nn12)-c1ccccc1)-c1ccccc1

CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(\C=C2\C(=O)NC(=O)N(CC)C2=O)c1C |(6.1,4.97,;7.13,3.83,;6.65,2.36,;7.68,1.22,;9.19,1.53,;7.2,-.25,;5.75,-.72,;4.41,.05,;3.08,-.72,;3.08,-2.26,;4.41,-3.03,;5.75,-2.26,;7.2,-2.73,;8.1,-1.49,;9.64,-1.49,;10.55,-.24,;10.07,1.22,;12.01,-.72,;12.01,-2.26,;13.26,-3.16,;14.67,-2.54,;15.91,-3.44,;15.75,-4.97,;17.32,-2.81,;17.48,-1.28,;18.89,-.66,;16.23,-.38,;16.4,1.15,;17.8,1.78,;14.83,-1,;13.58,-.1,;10.55,-2.73,;10.07,-4.2,)|

[#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1ccc(Cl)cc1

Cc1cc(C)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1 |c:10|

[O-][N+](=O)c1ccc(\C=C\C=N\NC(=O)c2cccs2)cc1

C\C(\C=C1/N=C(SCc2ccccc2Cl)SC1=O)=C/c1ccccc1 |t:4|

CN(C)c1ccc(\C=C\c2nc3ccccc3s2)cc1

Cc1ccc(\C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)o1

Oc1c(ccc2ccccc12)C(=O)NNC(=O)c1ccccc1Cl

Cc1cc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1cccnc1

CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C |(6.1,4.97,;7.13,3.83,;6.65,2.36,;7.68,1.22,;9.19,1.53,;7.2,-.25,;5.75,-.72,;4.41,.05,;3.08,-.72,;3.08,-2.26,;4.41,-3.03,;5.75,-2.26,;7.2,-2.73,;8.1,-1.49,;9.64,-1.49,;10.55,-.24,;10.07,1.22,;12.01,-.72,;12.01,-2.26,;13.26,-3.16,;14.67,-2.54,;15.91,-3.44,;15.75,-4.97,;17.32,-2.81,;17.48,-1.28,;18.89,-.66,;16.23,-.38,;14.83,-1,;13.58,-.1,;10.55,-2.73,;10.07,-4.2,)|

CCCNc1c(F)c(F)c2c(C)c3ccccc3nc2c1F

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

CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1

Clc1ccc(cc1Cl)-c1ccc(C=NNC(=O)C(=O)N2CCCC2)o1 |w:13.14|

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,)|

COc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccc(cc1)[N+]([O-])=O

COC(=O)C1=NN(C(=O)c2ccc(C)cc2)C(O)(C1)c1ccc(Cl)cc1 |t:4|

NC(N[N+]([O-])=O)=NNC=c1ccc(o1)=C1C=CC(=O)C(=C1)C(O)=O |w:6.6,8.7,14.21,c:16,20|

COC(=O)c1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)o1

COc1cc(C2[C-](C#N)C(=[NH2+])OC3=C2C(=O)CCC3)c(cc1OC)[N+]([O-])=O |c:12|

CCN(CC)c1ccc(C=C2C(=O)OC(C)(OC2=O)C(C)(C)C)cc1 |(4.41,-6.34,;5.75,-5.57,;5.75,-4.03,;4.41,-3.26,;3.08,-4.03,;7.08,-3.26,;7.08,-1.72,;8.41,-.95,;9.75,-1.72,;11.08,-.95,;11.08,.59,;12.42,1.36,;13.75,.59,;12.42,2.9,;11.08,3.67,;9.9,4.66,;9.75,2.9,;9.75,1.36,;8.41,.59,;11.85,5.01,;12.62,6.34,;13.19,4.24,;10.86,6.18,;9.75,-3.26,;8.41,-4.03,)|

Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 |r,c:22|

[#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(-[#16]-c3ccccc3)o2)-[#6]-1=O

Cc1c(NC(=O)CSc2ccc(Cl)cc2)cccc1-c1nc2cc(Cl)ccc2o1

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

[O-][N+](=O)c1ccccc1S(=O)(=O)n1nnc2ccccc12

Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1cccc(Cl)c1Cl |w:9.9|

[#6]-[#6]-[#8]-c1c(\[#6]=[#6](\C#N)C#N)c2ccccc2n1-[#6]-[#6]

Cc1c(Cl)cccc1NC(=S)N1CCN(CC1)C(=O)C1CCCO1

CCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1

COc1ccc(NC(=O)c2ccc(NCCCN3CCOCC3)c(c2)[N+]([O-])=O)cc1

O=C1NC(=O)C(=Cc2ccc3CCc4cccc2c34)C(=O)N1c1ccccc1 |w:6.6|

FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=S)NCC=C

COc1ccc(cc1)-n1c(C)cc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)c1C

CN(C)c1ccc(cc1)\N=C\c1nc(oc1OC(=O)c1ccc(C)cc1)-c1ccccc1

O=C(NNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O)c1ccncc1 |w:4.3|

[#7]-[#6](=[#7])-[#7]S(=O)(=O)c1ccc(cc1)-c1ccc(\[#6]=[#6](/C#N)C#N)o1

CCOc1cc(ccc1O)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O

Cc1nnc(=O)[nH]c1N=[NH+]C[c-]1ccc(=O)c(c1)[N+]([O-])=O |w:8.8|

CCOC(=O)c1c(C)c(C)sc1NC(=O)CC1Nc2ccccc2NC1=O

Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc(ccc1O)[N+]([O-])=O

C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

N#C\[#6](=[#6]\c1ccc(o1)-c1ccccc1)C#N

OC1C(Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)OC(C(O)C1O)C(O)=O

Cc1ccc(cc1)S(=O)(=O)NNC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O

Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12

Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cnn(c2)-c2ccc(C)cc2)C1=O |w:14.15|

COc1ccc(CCN2C(=O)NC(=O)C(=CNNC(=O)c3ccncc3)C2=O)cc1OC |w:15.15|

[O-][N+](=O)c1ccc(cc1)N=CCC(=O)c1ccc(Br)cc1 |w:9.9|

CN1C(=O)\C(=C\c2ccc3OCOc3c2)N=C1c1ccccc1 |c:17|

Clc1ccccc1-c1ccc(\C=C2/SC(=NC2=O)N2CCOCC2)o1 |c:15|

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

[O-][N+](=O)c1cc(C#N)c(cc1NC1CCCC1)C#N

Cc1ccc(NNC2=Nc3ccccc3C2=O)cc1 |t:7|

O=C(NCc1ccccc1)C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)\C#N

CCn1c(\C=C\c2c(C)[nH]c3ccccc23)nc2ccccc2c1=O

N(N=Cc1ccccn1)C(=Nc1ccccc1)c1ccccn1 |w:10.11,1.0|

CN(C)c1ccc(\C=C(/C#N)C(=O)NCc2ccco2)cc1

Cc1cc(C)c2C3C=CCC3C(Nc2c1)c1cc2OCOc2cc1Br |c:7|

Cc1sc(\C=C2/C(=O)ON=C2c2ccccc2)cc1Br |c:9|

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

CCOC(=O)c1c2CCCCc2sc1N=Cc1c(O)n(-c2cccc(C)c2)c(=O)[nH]c1=O |w:14.15|

CCOC(=O)Cc1csc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)n1

Cc1ccccc1OCC(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1

CC(C)C=C1CCC(=Cc2ccc(cc2)N(C)C)C1=O |w:3.2,8.8|

COc1ccccc1Nc1nc2nonc2nc1N1CCCCC1C

CCCCN(C)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12

CC(C)Nc1c(F)c(F)c2c(C)c3ccccc3nc2c1F

[O-][N+](=O)c1ccc(cc1)C(=O)NN1C(Nc2ccccc2C1=O)c1ccccn1

CCCCc1ccc(\C=C2/C(=O)ON=C2c2ccccc2)s1 |c:13|

Fc1ccc(NNC2=c3ccccc3=NC2=O)cc1 |c:7,14|

COC(=O)c1c(O)c(=Cc2cccs2)n(-c2ccc(Cl)cc2)c1=C

COc1ccc(cc1Cn1cc(cn1)[N+]([O-])=O)C1[C-](C#N)C(=[NH2+])OC2=C1C(=O)CC(C)(C)C2 |c:26|

Oc1ccc2ccc3OC(=N)C(C#N)C(c4ccsc4)c3c2c1

C=CCN1C(=O)NC(=O)C(=CCC=Nc2ccccc2)C1=O |w:13.13,10.10|

Oc1n(-c2ccccc2Cl)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1 |(8.13,-2.3,;8.61,-.83,;7.7,.41,;6.16,.41,;5.39,-.92,;3.85,-.92,;3.08,.41,;3.85,1.75,;5.39,1.75,;6.16,3.08,;8.61,1.66,;8.13,3.12,;10.07,1.18,;11.53,1.65,;12.43,.41,;11.53,-.83,;12.01,-2.29,;10.98,-3.44,;11.46,-4.9,;12.96,-5.22,;13.99,-4.07,;13.51,-2.61,;10.07,-.36,;12.01,3.12,;10.98,4.26,;13.51,3.44,;14.54,2.29,;16.05,2.61,;16.53,4.07,;15.5,5.22,;13.99,4.9,)|

COc1ccc(cc1Cn1nc(C)c(c1C)[N+]([O-])=O)C1[C-](C#N)C(=[NH2+])OC2=C1C(=O)CC(C)(C)C2 |c:28|

Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1cccc(C(O)=O)c1C |w:5.5,(17.88,3.32,;16.63,2.42,;15.17,2.89,;14.26,1.65,;12.72,1.65,;11.95,2.98,;10.41,2.98,;9.64,4.31,;10.41,5.65,;8.1,4.31,;7.2,5.55,;5.75,5.08,;4.41,5.85,;3.08,5.08,;3.08,3.54,;4.41,2.77,;5.75,3.54,;7.2,3.07,;15.17,.4,;14.69,-1.07,;16.63,.88,;17.88,-.03,;19.29,.6,;20.53,-.31,;20.37,-1.84,;18.96,-2.47,;18.8,-4,;20.05,-4.9,;17.4,-4.62,;17.72,-1.56,;16.31,-2.19,)|

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

Cn1cccc1\C=C1/C(=O)NC(=O)N(CCC2=CCCCC2)C1=O |t:17|

Cc1ccc(-c2ccccc2)n1-c1ccc(cc1)C(O)=O

OC(=O)CCCCCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2ccsc2c1=O

CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O

CCOC(=O)c1c(NC(=O)C(=C\c2ccc(OC)c(OC)c2)\C#N)scc1-c1ccccc1

Cn1ncc2c(NNC(=O)Cc3ccccc3)ncnc12

COc1ccc2n(CCCN3C(=O)c4ccccc4C3=O)c3nc4ccccc4nc3c2c1

[#6]-[#6]-[#8]-[#6](=O)-c1cc(-[#6]-[#6])sc1-[#7]\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-1=O

CCOc1ccc(cc1)N1C(=O)S\C(=C/c2cccn2C)C1=O

OC(=O)c1cccc(c1)-n1cccc1C=NNC(=O)Nc1ccccc1 |w:15.17|

[O-][N+](=O)c1ccc(\C=N\n2cnc3ccccc23)s1

COc1ccc2n(Cc3ccc(OC)c(OC)c3)c3nc4ccccc4nc3c2c1

CC(C)CC(=O)Cc1nc2cc(C)ccc2oc1=O

COC(=O)C(=C\c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O)\C#N

COc1ccc(cc1)N=Cc1cc2C(C(C#N)C(=N)Oc2cc1O)c1ccccc1 |w:8.8|

Cc1cc[n+](cc1C)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:9|

O=C(Cc1ccccc1)NNC(=O)c1cnccn1

COc1cccc(OCCCn2cc(\C=C3/C(=O)N=C4SC(C)=CN4C3=N)c3ccccc23)c1 |c:22,t:18|

Cc1cc(C)c(cc1C)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12

CSC(NS(=O)(=O)c1cccs1)=Nc1cccc(Cl)c1C |w:12.13|

[H]C12CC3([H])CC([H])(C1)CC(CC(=O)NN1Cc4ccccc4C1=N)(C2)C3 |TLB:8:6:26:1.25.2,8:1:26:6.9.5,THB:2:1:9:3.26.5|

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

Cc1nn(c(N2CCCC2)c1C=NNC(=O)c1cc(nc2ccccc12)-c1cccnc1)-c1ccccc1 |w:12.14|

CNC(=O)NC(=O)COC(=O)c1ccc(cc1)-n1c(C)ccc1C

Cc1sc(c(C#N)c1C)-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C |(3.08,4.58,;4.54,4.1,;5.02,2.64,;6.56,2.64,;7.04,4.1,;8.5,4.58,;9.97,5.06,;5.79,5.01,;5.79,6.55,;7.47,1.39,;9.01,1.39,;9.91,2.64,;9.48,-.07,;8.24,-.98,;8.24,-2.52,;9.57,-3.29,;9.57,-4.83,;8.24,-5.6,;10.9,-5.6,;12.24,-4.83,;13.57,-5.6,;12.24,-3.29,;10.9,-2.52,;10.9,-.98,;6.99,-.07,;5.53,-.55,)|

CCc1ccccc1N1C(=S)NC(=O)C(=Cc2ccc(o2)N2CCN(C)CC2)C1=O |w:15.16|

CCN(CC)S(=O)(=O)c1ccc(NC=C2C(C)=C(C#N)C(=O)N(C)C2=O)cc1 |w:13.12,t:16|

C[NH+]1CCC2(CC1)C(C#N)C(=N)NC(=S)[C-]2C#N |(6.31,-4.22,;7.08,-2.89,;5.75,-2.12,;5.75,-.58,;7.08,.19,;8.41,-.58,;8.41,-2.12,;5.75,.96,;4.41,.19,;3.08,-.58,;5.75,2.5,;4.41,3.27,;7.08,3.27,;8.41,2.5,;9.75,3.27,;8.41,.96,;9.75,.19,;11.08,-.58,)|

O=C1CN(CCc2ccccc2)C(=O)C2=C(CCCN12)C1=CC(=O)C=CC1=O |c:27,t:15,23|

OC1=NC(=S)C(S1)=Cc1ccc(o1)-c1ccccc1Cl |w:7.8,t:1|

COC(=O)c1cc(cc(c1)-n1c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)c1C)C(=O)OC

Oc1ccc2ccccc2c1C=NNC(=O)CCSc1nc2ccccc2s1 |w:12.14|

Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O |w:11.11|

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N

CN1\C(S\C(=C/c2ccc(o2)-c2ccccc2[N+]([O-])=O)C1=O)=N/c1ccc(Cl)c(c1)C(O)=O

COC(=O)c1c(Cl)c2c(c1C(=O)OC)c(-c1ccccc1)c(C)c1ccccn21

Cn1ncc(Cl)c1C(=O)N\N=C\c1cccc(OC2CSC2)c1

COC(=O)c1ccc(cc1)-n1c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)c1C

Cc1cc(C)c[n+](c1)-c1[n-]c(=O)sc1C=NNC(=S)Nc1ccccc1 |w:15.17|

Nc1c(O)ccc2C(=O)c3ccccc3C(=O)c12

Cc1ccc[n+](c1)-c1[nH]c(=O)sc1C=NNC(=O)c1ccccc1[O-] |w:14.16|

Fc1ccc(NC(=O)CN2C(=S)S\C(=C\C=C\c3ccccc3)C2=O)cc1

CN1CCN(CC1)c1ccc(C=C2C(=O)NC(=S)N(C2=O)c2cccc(C)c2C)o1 |w:11.11|

Cc1nn(c(N2CCCC2)c1\C=C1/N=C(OC1=O)c1ccc(F)cc1)-c1ccccc1 |c:15|

Fc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:8|

COC(=O)c1cccc(c1C)-n1c(C)cc(C=O)c1C |(3.08,-5.98,;4.41,-5.21,;4.41,-3.67,;3.08,-2.9,;5.75,-2.9,;7.08,-3.67,;8.41,-2.9,;8.41,-1.36,;7.08,-.59,;5.75,-1.36,;4.41,-.59,;7.08,.95,;5.84,1.86,;4.37,1.38,;6.31,3.32,;7.85,3.32,;8.76,4.57,;8.13,5.98,;8.33,1.86,;9.79,1.38,)|

COC(=O)c1ccc(C)c(c1)-n1c(C)cc(C=O)c1C |(9.79,-5.98,;8.46,-5.21,;8.46,-3.67,;9.79,-2.9,;7.12,-2.9,;5.79,-3.67,;4.46,-2.9,;4.46,-1.36,;3.12,-.59,;5.79,-.59,;7.12,-1.36,;5.79,.95,;4.54,1.86,;3.08,1.38,;5.02,3.32,;6.56,3.32,;7.47,4.57,;6.84,5.98,;7.04,1.86,;8.5,1.38,)|

Cc1cc(NC(=O)C(=C\c2ccc(o2)-c2ccc(SC(F)F)cc2)\C#N)n(n1)-c1ccccc1

Cc1cc(cc2C3C=CCC3CNc12)[N+]([O-])=O |c:7|

COc1cc2C(=O)c3nccc4c(OC)c(OC)c(OC)c(-c2cc1OC)c34

COc1cc2C(=O)c3nccc4cc(OC)c(OC)c(-c2cc1OC)c34

[H][C@]12[C@H](O)c3ccccc3-c3c4OCOc4cc(CCN1C)c23

CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1

COc1ccc(C(=O)\C=C\c2ccc(N3CCCCC3)c(c2)[N+]([O-])=O)c(OC)c1

CC[n+]1c(\C=C\c2ccc(cc2)N(C)C)ccc2ccccc12

COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Cl)cc1Cl

COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Br)cc1

COC(=O)c1ccc(cc1)-n1c(C)cc(C(=O)COC(=O)CC2Sc3ccccc3NC2=O)c1C

CCc1ccc(NC(=O)C(=C\c2cc3ccc(C)cc3nc2N2CCOCC2)\C#N)cc1

CCCn1nc(C(=O)Nc2ccc3nc(C)sc3c2)c2ccccc2c1=O

Cc1ccc2cc(\C=C(/C#N)C(N)=O)c(nc2c1)N1CCCCC1

CCOC(=O)C=c1sc(=Cc2ccc(cc2)C#N)c(=O)n1CC(=O)NCc1ccco1

NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1

O=c1[nH]c(CSc2ncccn2)nc2n(ncc12)-c1ccccc1

Cc1[n-][o+]nc1OCCNCCNc1ccc([N+]([O-])=O)c2cccnc12

COc1cccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccc(cc2)C(O)=O)c1 |c:19|

CCSC1=NC(=O)C(N1)=Cc1ccccc1 |w:9.10,t:3|

COc1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1

Oc1ccc(O)c(c1)-c1cnns1

c1nc2cc3nc4ccccc4nc3cc2[nH]1

COc1cccc(c1)C(=O)NNc1nc(C)cc(C)n1

Cc1cc(=O)n2[nH]c(N)c(N=Nc3ccccc3)c2n1 |w:10.9|

CNCc1ccccc1Sc1ccc(O)c(O)c1

Oc1ccc(-c2cnns2)c(O)c1

OC(=O)c1cc(Cl)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1 |c:12|

CCN1C(=S)N\C(=C\N(C)C)C1=O

CCCC1Nc2ccc(cc2C2C=CCC12)C(O)=O |c:13|

COc1cc2OCOc2cc1C=C1NC(=O)N(C1=O)c1ccccc1 |w:11.12|

Cc1cc(C)cc(c1)-n1c(O)c(C=Nc2ccc(cc2)N2CCOCC2)c(=O)[nH]c1=S |w:13.14|

COc1ccc(Cl)cc1NC(=S)NCC=C

CCOC(=O)c1ccc(cc1)-n1c(C)ccc1C

CCN(CC)C(=O)CNc1ccc(cc1[N+]([O-])=O)C(F)(F)F

COc1ccc(cc1)C1CC(=NN1c1ccc(C=O)cc1)c1cccs1 |c:11|

CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(C)c2C)C1=O |w:15.16|

CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N1CCNCC1

CCOC(=O)Cn1c2ccccc2nc(-c2cc(Br)ccc2N)c1=O

OC(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccncc1 |c:11|

Cc1cccc2sc(NNC(=O)c3cc(=O)c4ccccc4o3)nc12

Cc1ccc2sc(NNC(=O)c3cc(=O)c4ccccc4o3)nc2c1C

Nc1ncnc(NNC(=O)CNC(=O)c2c(F)cccc2Cl)c1[N+]([O-])=O

CSc1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:12|

CC(C)Sc1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:14|

COc1cccc(c1)C(=O)NCC(=O)NNc1ncnc(N)c1[N+]([O-])=O

CCN1CCN(Cc2c3O\C(=C/c4ccccc4)C(=O)c3ccc2O)CC1

Brc1ccc(cc1)-[#6](=O)-[#7]-c1ccc(\[#6]=[#6](\C#N)C#N)cc1

COc1ccc(C=CC(=O)c2c(O)n(CCC3=CCCCC3)c(=O)[nH]c2=O)cc1OC |w:7.7,t:16|

Oc1ccc(C=c2sc3nc(c(-c4ccccc4)n3c2=O)-c2ccccc2)cc1

Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6|

Cc1cc(C=O)c(C)n1-c1cc(ccc1C)C(O)=O |(3.08,1.24,;4.54,1.71,;5.02,3.18,;6.56,3.18,;7.47,4.42,;6.84,5.83,;7.04,1.71,;8.5,1.24,;5.79,.81,;5.79,-.73,;7.12,-1.5,;7.12,-3.04,;5.79,-3.81,;4.46,-3.04,;4.46,-1.5,;3.12,-.73,;8.46,-3.81,;8.46,-5.35,;9.79,-3.04,)|

Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1cccc(c1)C(O)=O)c1c(C)[nH][nH]c1=O

COc1ccc(C=NNC(=O)c2ccc(cc2)N(C)S(=O)(=O)c2ccccc2)cc1

CCN(CC)CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCc1ccco1

C12=C(NC(=S)N1)NC(=S)NC2=O

Oc1ccc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1O

COc1ccc(cc1)-n1cc(CNCc2cnc3ccccn23)c(n1)-c1cccc(F)c1

OC(=O)c1cccc(c1)-n1cccc1\C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O

O=C1OCc2cc(ccc12)-n1cccc1

CC(C)NC(=S)NN=Cc1c(C)[nH]c2ccccc12 |w:7.6|

Cc1ccc(cc1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)S(=O)(=O)N1CCOCC1

COc1ccc2nc(SCC(=O)Nc3nonc3C)[nH]c2c1

CN(C)CCCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23

COc1ccc(OC)c(c1)C1=C\C(=C\c2ccccn2)C(=O)O1 |t:11|

Cc1ccccc1NC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cc(ccc2C)C(O)=O)C1=O

COc1ccc(cc1OC)N=CCC(=O)c1ccc(C)cc1 |w:10.10|

Fc1ccccc1NC(=O)c1coc(=O)c(Br)c1

CCC(C)n1c2nc3ccc(C)cn3c(=O)c2cc(C#N)c1=N

COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccccc1Cl

[#8]-[#6](=O)-c1ccc(cc1)-n1cccc1\[#6]=[#6](/C#N)C#N

Nc1ccc2nc(CCCC(O)=O)[nH]c2c1

COc1ccc(C=C2CCCC(C(=O)C(F)(F)F)C2=O)cc1OC |w:6.5|

CN1C=C\C(=C/c2cc[n+](C)c3ccccc23)c2ccccc12 |c:2|

CC(C)c1nnc(s1)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccccc1

CCOc1ccc(NC(=O)COc2ccccc2)c(c1)[N+]([O-])=O

Cc1ccccc1NC1=NC(=O)C(S1)=Cc1cccn1-c1cccc(c1)C(O)=O |w:14.16,t:9|

COc1ccc(cc1OC)C1N(CCc2cc(OC)c(OC)cc12)S(C)(=O)=O

Oc1c(C=NN2C(=O)c3cccc4cccc(C2=O)c34)c(=O)[nH]c(=O)n1-c1ccccc1 |w:4.4|

Oc1ccc2occ(C=C3C(=O)NC(=O)N(C3=O)c3ccccc3)c(=O)c2c1 |w:8.7|

COc1ccc(cc1OC)C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2 |c:18|

COc1ccc(OC)c(c1)C1Nc2c(Cl)ccc(C(O)=O)c2C2C=CCC12 |c:25|

CN1C(=O)C(=CNNc2ccc(C)c(C)c2)C(C)=C(C#N)C1=O |w:5.5,t:18|

NC(=O)c1cccc(c1)N=Cc1cc(Cl)cc(Cl)c1O |w:9.9|

OC(=O)c1cc(ccc1Cl)-c1ccc(C=C2NC(=O)N(C2=O)c2ccc(Cl)cc2)o1 |w:14.14|

Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O

CN1C(=O)S\C(=C\c2cccn2-c2cccc(c2)C(O)=O)C1=O

CC(=O)C1C(NC(=O)N=C1c1ccccc1)c1ccc(O)c(O)c1 |c:8|

Cc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1C(O)=O |(6.38,-1.44,;7.79,-.82,;8.11,.69,;9.64,.85,;10.41,2.18,;9.64,3.52,;10.41,4.85,;11.18,6.18,;8.1,3.52,;7.2,2.28,;5.75,2.75,;4.41,1.98,;3.08,2.75,;3.08,4.29,;4.41,5.06,;5.75,4.29,;7.2,4.76,;10.27,-.56,;11.78,-.88,;9.13,-1.59,;9.29,-3.12,;8.04,-4.03,;8.2,-5.56,;9.61,-6.18,;10.85,-5.28,;10.69,-3.75,;12.23,-3.85,;12.9,-5.24,;13.09,-2.58,)|

COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(ccc1C)C(O)=O

C\N=C1\S\C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1C

Clc1ccc(NC(=S)NCc2ccncc2)c(Cl)c1

CCOc1ccc(Br)cc1S(=O)(=O)NC(=O)c1ccccc1

[O-][N+](=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nccs1

CC1=N\C(=C\c2ccco2)C(=O)O1 |t:1|

OC(=O)c1cc(ccc1Cl)-c1ccc(CN=Nc2ccc(cn2)[N+]([O-])=O)o1 |w:16.17|

Cc1ccc(cc1)N=Cc1cc(Br)cc(Cl)c1O |w:7.7|

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2C)c(C)n1C |w:4.3|

[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(-[#16]-c3ccc(-[#6])cc3)o2)-[#6]-1=O

C(N=Nc1nc2ccccc2[nH]1)c1ccccn1 |w:2.2|

Cc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O

COc1ccc(cc1)N=Cc1c(O)ccc2ccccc12 |w:8.8|

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(F)cc2)c(C)n1-c1ccc(cc1)C(O)=O |w:4.3|

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(F)cc2)c(C)n1-c1cccc(c1)C(O)=O |w:4.3|

Fc1ccc(NC=C2C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)cc1 |w:6.5|

Cc1cc(C=O)c(C)n1-c1cccc(C(O)=O)c1C |(4.37,1.24,;5.84,1.71,;6.31,3.18,;7.85,3.18,;8.76,4.42,;8.13,5.83,;8.33,1.71,;9.79,1.24,;7.08,.81,;7.08,-.73,;8.41,-1.5,;8.41,-3.04,;7.08,-3.81,;5.75,-3.04,;4.41,-3.81,;4.41,-5.35,;3.08,-3.04,;5.75,-1.5,;4.41,-.73,)|

COc1cccc(c1)C1(O)CCN(CC(=O)Nc2nc(C)cs2)CC1

CCN(CC)c1ccc2cc(C#N)c(=O)oc2c1

CN(C(C)=O)c1ccc(cc1)N=Nc1c(C)[nH]n(C(N)=S)c1=O |w:11.11|

CC(=O)n1c(C=Nc2ccccc2)c(O)c2ccccc12 |w:6.6|

Clc1cc(ccc1Br)-c1ccc(C=Nn2cnnc2)o1

[O-][N+](=O)c1ccc(N2CCCC2)c([CH+][N-]NC(=O)c2ccccn2)c1

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cc(C)cc(C)c2)c(C)n1C |w:4.3|

CC(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1cc2c(ccc3ccccc23)oc1=O |w:2.1|

Cc1ccc(O)c(c1)-c1cc([nH]n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccc(C)n1

COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc-3c(Cc4ccccc-34)c2)C1=O |w:15.16|

COc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc-3c(Cc4ccccc-34)c2)C1=O |w:15.16|

CCOc1cc2OCOc2cc1\C=C(\C#N)c1ccc(cc1)C(O)=O

Cc1cc(\C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1C1CC1

Cc1ccccc1CSCCNC(=S)Nc1ccccc1

[#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\[#7]-c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6]-1=O

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc3OCOc3c2)c(C)n1-c1cccc(C(O)=O)c1C |w:4.3,(10.19,2.75,;10.82,1.34,;12.32,1.02,;12.48,-.51,;13.82,-1.28,;15.15,-.51,;15.15,1.03,;13.82,1.8,;16.48,1.8,;17.82,1.03,;19.15,1.8,;17.82,-.51,;16.48,-1.28,;16.48,-2.82,;19.15,-1.28,;19.15,-2.82,;20.49,-3.59,;21.82,-2.82,;23.28,-3.29,;24.18,-2.05,;23.28,-.81,;21.82,-1.28,;20.49,-.51,;11.08,-1.13,;10.76,-2.64,;10.05,.01,;8.51,-.15,;7.89,-1.56,;6.36,-1.72,;5.45,-.47,;6.08,.93,;5.17,2.18,;3.64,2.02,;5.8,3.59,;7.61,1.1,;8.24,2.5,)|

Cc1cc(C=O)c(C)n1-c1ccc(Cl)c(c1)C(O)=O

OC(=O)c1cccc(c1)-n1cccc1\C=C(\C#N)c1ccc(Cl)cc1

COC(=O)c1cccc(c1)-n1c(CCC(O)=O)ccc1-c1cccs1

OC(=O)c1cccc(c1)-n1cccc1\C=C(\C#N)c1ccc(F)cc1

Cc1cc(\C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(cc1)C(O)=O

Cc1cc(C=O)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O

Cc1cc(\C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(cc1C)C(O)=O |(6.07,.21,;7.54,.69,;8.01,2.15,;9.55,2.15,;10.46,3.4,;9.83,4.81,;10.74,6.05,;11.64,7.3,;8.3,4.97,;7.4,3.72,;7.67,6.37,;6.14,6.53,;5.52,7.94,;3.99,8.1,;3.08,6.86,;3.71,5.45,;5.24,5.29,;10.03,.69,;11.49,.21,;8.78,-.22,;8.78,-1.76,;10.12,-2.53,;10.12,-4.07,;8.78,-4.84,;7.45,-4.07,;7.45,-2.53,;6.12,-1.76,;8.78,-6.38,;10.12,-7.15,;7.45,-7.15,)|

Cc1cc(\C=C(\C#N)C(=O)NCc2ccccc2)c(C)n1-c1cccc(C(O)=O)c1C |(5.79,-1.74,;7.26,-1.26,;7.74,.2,;9.28,.2,;10.18,1.45,;9.55,2.86,;10.46,4.1,;11.36,5.35,;8.02,3.02,;7.12,1.77,;7.4,4.42,;5.86,4.58,;5.24,5.99,;6.14,7.24,;5.52,8.64,;3.99,8.8,;3.08,7.56,;3.71,6.15,;9.75,-1.26,;11.22,-1.74,;8.51,-2.17,;8.51,-3.71,;9.84,-4.48,;9.84,-6.02,;8.51,-6.79,;7.17,-6.02,;5.84,-6.79,;5.84,-8.33,;4.5,-6.02,;7.17,-4.48,;5.84,-3.71,)|

Fc1ccc(\C=C\c2nc3ccccc3[nH]c2=O)cc1

Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1C

CN1C(=O)C(=CNNc2ccc(F)cc2)C(C)=C(C#N)C1=O |w:5.5,t:17|

CCn1c(C)cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2C)c1C |w:7.6|

Cc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(c1)C(O)=O

Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(cc1C)C(O)=O |(10.77,-3.14,;10.93,-1.6,;9.79,-.57,;10.41,.83,;9.64,2.17,;8.1,2.17,;7.2,3.41,;7.68,4.87,;5.75,2.94,;4.41,3.71,;3.08,2.94,;3.08,1.4,;4.41,.63,;5.75,1.4,;7.2,.93,;7.68,-.54,;11.95,.67,;12.98,1.82,;12.27,-.83,;13.67,-1.46,;14.92,-.55,;16.32,-1.18,;16.49,-2.71,;15.24,-3.62,;13.83,-2.99,;12.59,-3.9,;17.89,-3.34,;19.14,-2.43,;18.05,-4.87,)|

[#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1ccc(cc1)-[#6](-[#8])=O

Cc1cc(\C=C(\C#N)C(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(cc1)C(O)=O

OC(=O)c1ccccc1-n1c2CCCC(=O)c2cc1-c1ccccc1 |(4.87,4.31,;5.19,2.8,;4.04,1.77,;6.65,2.32,;7.13,3.79,;8.64,4.11,;9.67,2.96,;9.19,1.5,;7.68,1.18,;7.2,-.29,;5.75,-.76,;4.41,.01,;3.08,-.76,;3.08,-2.3,;4.41,-3.07,;4.41,-4.61,;5.75,-2.3,;7.2,-2.76,;8.1,-1.53,;9.64,-1.53,;10.41,-2.86,;11.95,-2.86,;12.72,-1.53,;11.95,-.19,;10.41,-.19,)|

CCOC(=O)c1ccc(CC(=O)c2ccc(O)c(O)c2O)o1

Cc1cc(\C=C(\C#N)C(=O)Nc2ccccc2C)c(C)n1-c1ccc(cc1)C(O)=O

COc1ccccc1C(=O)C1CCCN(C1)C(=O)c1cccnc1SC

C\C(=C/c1ccco1)\C=C1\SC(=S)N(CC(O)=O)C1=O

CC(C)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15|

CCc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12

Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:10,17|

COCCN1CCC(CNCc2c(nc3c(C)cccn23)C(=O)N2CCCCC2)C1

CN(Cc1ccc(C)cc1)C(=O)CC1N(CC2CCCCC2)CCNC1=O

NC(=O)C1(CCN(Cc2nc(no2)-c2cccs2)CC1)N1CCCCC1

COCCN1CCC(CNCc2c[nH]nc2-c2ccc(C)c(C)c2)C1

Cc1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)o1

COc1ccc(cc1OC)C1C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:18|

CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Br)cc1

OC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1

O=C(NC(=S)NNS(=O)(=O)c1ccccc1)c1cccnc1

O=C(N1CCc2ccccc12)c1ccco1

OC(=O)c1cccc(c1)-n1cccc1\C=C/[N+]([O-])=O

CN1C(=O)\C(=C/NC(C)=O)C(C)=C(C#N)C1=O |t:11|

[#6]-[#6]-[#7]-1\[#6](-[#6]=[#6]-c2ccccc-12)=[#6](\C#N)C#N |c:4|

COc1cc(\C=C2\C(=O)NN(C2=O)c2cccc(C)c2)cc(c1O)[N+]([O-])=O

COc1ccc(CCCc2nc3ccccc3[nH]2)cc1

OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Cl)cc2)c(C)n1C |w:4.3|

CCOc1cccc(=O)c2c(C)n(c(C)c12)-c1ccc(cc1)C(O)=O

CC(=O)NC1=NC(=O)\C(S1)=C\c1cc(C)n(c1C)-c1cccc(c1)C(O)=O |t:4|

CCOc1cc(\C=C2/C(=O)NN(C2=O)c2ccccc2)cc(c1O)[N+]([O-])=O

COc1ccc(C=Cc2cc(nc(=O)[nH]2)C(F)(F)F)cc1OC |w:6.5|

C=CCN1C(=O)NC(=O)\C(=C\C=C\c2ccccc2)C1=O

Cc1nc2cc(N)ccc2n1C1CCCCC1

COc1cc(\C=C2/C(=O)NN(C2=O)c2ccccc2)cc(c1O)[N+]([O-])=O

CCn1c(C)nc2cc(N)ccc12

Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1ccc(cc1)C(O)=O |w:5.4|

Cn1cccc1\C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O

Oc1csc(=S)n1N1C(=O)c2cccc(c2C1=O)[N+]([O-])=O

COc1ccc(cc1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2 |c:16|

CCn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1

[#6]-[#7]-1\[#6](=[#6]\[#6]=[#6](\C#N)C#N)C([#6])([#6])c2ccccc-12

NC(=O)c1ccsc1N

CCC(C)n1c2nc3c(C)cccn3c(=O)c2cc(C#N)c1=N

COc1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nnc(C)s1

Cn1c(\N=N\c2ccc(cc2)N2CCOCC2)[n+](C)c2ccccc12

COC(=O)CNc1cccc(c1)C(F)(F)F

Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(OCC=C)cc1

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)c(C)n1C |w:4.3|

CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccc(OC)cc1

CC1CC(C)(C)N2C(=O)C(=O)c3cc(C)cc1c23

Cc1cc(=O)n([nH]1)-c1ccc(C(O)=O)c(N)c1

Fc1ccc(cc1)C(=O)N1CCN(CC1)C1CCC(CC1)c1ccccc1 |(16.34,17.9,;15.01,17.13,;15.01,15.59,;13.68,14.82,;12.34,15.59,;12.34,17.13,;13.68,17.9,;11.01,14.82,;9.68,15.59,;11.01,13.28,;9.68,12.5,;9.68,10.96,;11.01,10.19,;12.34,10.96,;12.34,12.5,;11.01,8.65,;9.68,7.88,;9.68,6.34,;11.01,5.57,;12.34,6.34,;12.34,7.88,;11.01,4.03,;9.68,3.26,;9.68,1.72,;11.01,.95,;12.34,1.72,;12.34,3.26,)|

CCn1c2ccccc2c(=O)c2ccccc12

CCCCN1C(=S)S\C(=C/C=C2\Oc3ccccc3N2CC)C1=O

CCOCCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCC1CCCO1

CCCCN1C(S\C(C1=O)=C1/Sc2ccccc2N1C)=Nc1nnc[nH]1 |w:20.23|

CC(C)CNC(=O)c1ccc(cc1)C1SCC(=O)N1Cc1ccccc1

CN1Cc2c(CC1(C)C)c(C#N)c(N)n(C)c2=S

COc1ccc(NC(=O)CN2CCC(CC2)NC(=O)C2CCCCC2)c(c1)[N+]([O-])=O

O=C(NCc1ccncc1)C(=O)NN=Cc1ccccn1

FC(F)(F)c1ccc2NC(C3CC=CC3c2c1)c1ccncc1 |c:12|

N#C\[#6](=[#6]/c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)C#N

O=C1N=C(S\C1=C\C1=Cc2ccccc2OC1)N1CCCCC1 |c:2,t:8|

Cc1ccccc1C1=N\C(=C\c2cccs2)C(=O)O1 |t:8|

CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)|

[#6]-[#6]-[#8]-c1ccc2-[#7]\[#6](=[#6](\[#6](\Cl)=[#6](\Cl)Cl)/[#7+](-[#8-])=O)-c2c1

CCCCCCCCCCCCCCCCn1cc[n+](C)c1

CC(=O)[C-]1Sc2nn[c-](C)[n+]2[N+](C(C)=O)=C1c1cccc(c1)[N+]([O-])=O |c:15|

[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(-[#16]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)o2)-[#6]-1=O

Cc1cc(=O)nc2c3ccccc3n(CC(=O)Nc3ccccc3Br)n12

Oc1ccccc1C(=O)NNC(=O)c1ccco1

CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12

CCN(CC)CCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12

Cc1cccc(NC(=O)CN2C(=O)N\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c1

[#8]-[#6](=O)-c1cccc(c1)-n1cccc1\[#6]=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O

CCOc1cc(cc(c1O)[N+]([O-])=O)C1[C-](C#N)C(=[NH2+])OC2=C1C(=O)CC(C)(C)C2 |c:21|

COCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12

COCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12

COc1cc(cc(c1O)[N+]([O-])=O)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O

CC(=O)N1C(=C(Sc2nnc(C)n12)C(C)=O)c1ccccc1 |c:4|

Oc1ccc(cc1)C(=O)NN=Cc1c(O)n(-c2ccccc2)c(=S)[nH]c1=O |w:10.10|

CN(C)c1cccc(c1)C(=O)NN=Cc1cc(C)n(c1C)-c1cc(cc(c1)C(O)=O)C(O)=O |w:12.12|

N=C1N2N=C(CC(=O)N3CCOCC3)SC2=NC(=O)\C1=C\c1ccc(SCc2ccccc2)o1 |c:17,t:3|

O=C(NCCN1CCOCC1)c1cccn2c1nc1sc3CCCCc3c1c2=O

Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(cc1)C(O)=O

Cc1oc(N=Cc2ccc(O)cc2O)c(C#N)c1C |w:4.3|

COc1ccccc1N1C(=O)C(Cl)C(=Nc2ccccc2O)C1=O |w:14.15|

COc1cc2n(Cc3ccc(F)cc3)cc3c(nnc3c2cc1OC)-c1ccccc1

CCOC(=O)c1cnc2nc(C)ccc2c1O

Cc1ccc(cc1)N=Cc1nc(oc1O)-c1ccc(C)cc1 |w:7.7|

Cc1ccc(cc1)-c1nc(C=Nc2ccc(O)cc2)c(O)o1 |w:11.12|

CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCc3ccccc23)sc2CN(C)CCc12

COc1cc2n(Cc3ccccc3F)cc3c(nnc3c2cc1OC)-c1ccccc1

CN(C)CCCN(C(=O)\C=C\c1cccs1)c1nc2ccc(F)cc2s1

CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCc3ccccc23)c2ccccc12

CN1CCN(Cc2c3O\C(=C/c4ccc(C)cc4)C(=O)c3ccc2O)CC1

Cc1ccc(\C=C2/Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)cc1

CCN1CCN(Cc2c3O\C(=C/c4ccc(C)cc4)C(=O)c3ccc2O)CC1

[O-][N+](=O)c1ccc(\C=C\C(=O)N2CCCC2)s1

Cc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:7.7|

Cc1c([nH][nH]c1=O)C(=O)NN=Cc1ccco1 |w:10.10|

Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1ccccc1C(O)=O)c1c(C)[nH][nH]c1=O

Oc1csc(N=NCc2cccs2)n1 |w:5.4|

[O-][N+](=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O

NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2cccs2)cc1 |w:18.18|

CCN(CC)c1ccc(cc1)N=Nc1nnc[nH]1 |w:11.11|

CN(C)\C=C\C(=O)c1cnc(s1)-c1ccccc1Cl

CCN(CC)C(=O)c1cc2c(nc1C)oc1ccc(Cl)cc1c2=O

[O-][N+](=O)c1ccc(cc1)C1=Nc2cc(Cl)ccc2OC1 |t:10|

Cc1cc(-c2ccc([CH+]c3c(C)[c-](C#N)c(=O)[nH]c3=O)o2)c(cc1C)[N+]([O-])=O

COC(=O)Cn1cc(\C=C2/S\C(=N\C)N(C)C2=O)c2ccccc12

Fc1ccc(cc1)C(=O)Nc1cc(C#N)c2[nH]c3ccccc3n2c1=O

CN1CCN(CC1)c1ccc2nc(C)c(C)nc2c1

FCCCOc1ccc(\C=C\C(=O)Nc2ccnc(n2)-c2cccnc2)cc1

Cc1[nH][nH]c(=O)c1C=NN1CCOCC1 |w:8.9|

CCOC(=O)Cc1nc2ccccc2n(CC#N)c1=O

Nc1ccc2nc(CCCO)[nH]c2c1

Cc1ccc(NCC(=O)NN=Cc2ccc(cc2)C(O)=O)cc1

Cc1c(N)cc(N)cc1C(O)=O

Cc1nnc(N=Nc2ccc(O)cc2)[nH]1 |w:5.4|

[O-][N+](=O)c1ccc2[nH]c(=O)c([CH-]C(=O)c3ccccc3)[nH+]c2c1

[#6]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c(-[#6])n1-c1cccnc1

CC(C)Cc1nn2c(N)c(\C=C3/C=Nc4ccccc34)c(=O)nc2s1 |c:12|

Cc1ccc(-c2ccc([CH+]c3c(C)[c-](C#N)c(=O)[nH]c3=O)o2)c(c1)[N+]([O-])=O

Cn1c(=O)[nH]c([O-])c([CH+]c2ccc(o2)[N+]([O-])=O)c1=O

Fc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1

COc1ccc(C=c2sc3nc(=O)c(C)nn3c2=O)c(OC)c1

Cc1ncc(CO)c(CNNC(=O)C2=CC(=O)C(=O)C(=O)C2)c1O |t:13|

Cc1ccc(CN2C(=O)N\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1

CC1=C(C#N)C(=O)NC(=O)\C1=C\c1ccc(o1)-c1ccc(cc1)S(N)(=O)=O |c:1|

COc1cc(c[c-](\C=[NH+]\NC(=O)CC#N)c1=O)[N+]([O-])=O

CC1=NOC(=O)\C1=C/c1ccc2OCOc2c1 |t:1|

[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])c(-[#6])sc1-[#7]\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-1=O

Cc1ccc(Cl)c2\C(C(=O)Nc12)=C1/NC(=S)NC1=O

OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15|

Cn1ncc2c(NNC(=O)c3ccc(O)cc3)ncnc12

COc1ccc(C=NN=C2CC(C)(C)Cc3n[nH]c(=O)cc23)cc1 |w:8.7,6.5|

Cc1ncc(C=O)c(CNNC(=O)c2cc(Br)ccc2O)c1O

Cc1ccc(NC(=O)CN2C(=O)N\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1

OC(=O)c1ccc2C(=O)\C(=C\c3ccco3)C(=O)c2c1

[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccc1

OC(=O)c1ccc(Nc2c(cc([N+]([O-])=O)c3cccnc23)[N+]([O-])=O)cc1

OC(=O)c1cccc(c1)-n1cccc1\C=C1\NC(=O)N(Cc2ccccc2F)C1=O

CC(=O)Oc1cc2cccc(OC(C)=O)c(=O)c2c(OC(C)=O)c1OC(C)=O

CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:6|

COc1cc(NC(=O)CSc2nnc3ccc(nn23)-c2ccncc2)cc(OC)c1

Oc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:7.7|

Cc1ccc(cc1)N=CC1Sc2ccccc2NC1=O |w:7.7|

Nc1nncc(-c2ccc(Br)cc2)c1C#N

COc1ccc(cc1)-n1nc2c(cc1=O)[nH][nH]c2=O

Cn1c2ccccc2c(O)c(-c2cc(=O)[nH][nH]2)c1=O

Clc1ccc(cc1)-n1nc2c(cc1=O)[nH][nH]c2=O

Cc1ccsc1C=NNC(=S)NC1CCCCC1 |w:7.8|

Cc1ccc(\C=C\C(=O)c2ccc(cc2)N2CCOCC2)s1

[#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|

CCOc1ccc(cc1)-n1c(O)c(C=Nc2ccnn2Cc2ccncc2)c2ccccc2c1=O |w:14.15|

ClCC(=O)NCCN1C(=O)S\C(=C/c2cccnc2)C1=O

COC(=O)c1ccc(cc1)-n1c(C)cc(C(=O)CCl)c1C

Cc1ccc(NC(=O)Cn2c3ccccc3nc(C)c2=O)cc1

CCOC(=O)C1=C2NC(=O)c3ccccc3N2C(=O)C1 |c:5|

CCOC(=O)C(=C\c1cc2ccccc2nc1N1CCCCC1)\C#N

COC(=O)c1cc(cc(c1)-n1c(C)cc(C=O)c1C)C(=O)OC

COC(=O)c1ccccc1-n1cccc1C(=O)NP(=O)(N1CCOCC1)N1CCOCC1

Cc1cc(C)nc(NNC2=CC(=O)CC(C)(C)C2)n1 |t:9|

O=Cc1c(nc2ccccn12)-c1ccccc1

Clc1c(sc2ccccc12)C(=O)NNC1=CC(=O)CCC1 |t:16|

Cc1ccc(cc1)C(=O)CSc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1

COCCN1C(=O)N(C(=O)\C(=C/c2c(OC)cc(OC)cc2OC)C1=O)c1ccccc1

COc1ccc2c(cc(SCC(N)=O)nc2c1)-c1ccccc1

Nc1ccc2C(=O)\C(Cc2c1)=C/c1ccco1

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CO

CN(CC(=O)Nc1cc(ccc1C)S(=O)(=O)N1CCOCC1)C1CCS(=O)(=O)C1

Fc1ccc(CNc2nc(nc3ccccc23)-c2ccccc2)cc1

CCOc1cc(N2CCOCC2)c(OCC)cc1NC(C)C(=O)N1CCN(CC)CC1

Cc1ccccc1Nc1nc(Cl)c(C=O)s1

Cc1cccc(\C=C(/C(=O)C(O)=O)c2ccc3ccccc3n2)c1

COc1ccc(\C=C2/CCCc3c2nc2ccccc2c3C(O)=O)cc1OC

OC(=O)C(=O)C(=C/c1ccc(Cl)cc1)\c1ccc2ccccc2n1

CCN(CC)Cc1cc(O)c(CN(CC)CC)cc1O

OC(=O)c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)Nc2ccc(OC(F)F)cc2)c(c1)[N+]([O-])=O

CN1\C(=C/C=NNC(=O)c2ccncc2)C(C)(C)c2ccccc12

COc1cc(cc(OC)c1OC(=O)N1CCOCC1)C1C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:28|

Oc1csc(=S)n1[N-][CH+]c1ccc(Cl)c(c1)[N+]([O-])=O

Oc1c(C=Nc2ccccc2N2CCCC2)c(=O)[nH]c(=O)n1-c1ccc(F)cc1 |w:4.4|

Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccn1

Cc1c(NC(=O)c2coc(=O)c(Br)c2)c(=O)n(-c2ccccc2)n1C

CCN(CC)C(=O)c1sc2nc(cc(-c3cccs3)c2c1N)-c1cccs1

CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23

O=C(Cc1nc2ccccc2[nH]c1=O)c1ccccc1

Cc1nnc(SC(=Cc2ccc(OCc3ccc(cc3)C(O)=O)cc2)C(O)=O)[nH]1 |w:7.7|

Nc1cc(cc(c1O)[N+]([O-])=O)S(O)(=O)=O

CC(=O)NCCNc1ccc(cc1C#N)[N+]([O-])=O

CCC(C)\C=C(/C)\C=C\C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CO1 |c:11,25,t:9|

Cc1cc(O)c(Oc2cc(C)cc(O)c2O)c(O)c1

COc1cc(oc(=O)c1)[C@H](Cc1ccccc1)NC(C)=O

CC(=O)c1c(O)cc(O)cc1CC(O)=O

COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)c(O)c2o1

COc1cc(OC)c2c(O)c3CO[C@@H](C)[C@@H](O)c3c(-c3c4[C@H](O)[C@H](C)OCc4c(O)c4c(OC)cc(OC)cc34)c2c1 |wD:15.15,21.22,13.13,23.24,(15.09,3.2,;14.09,2.03,;12.58,2.3,;12.03,3.81,;10.45,4.07,;9.9,5.51,;10.88,6.7,;9.44,2.83,;7.92,3.1,;7.39,4.54,;6.93,1.92,;5.35,2.22,;4.31,1,;4.86,-.51,;3.42,-1.04,;6.44,-.78,;6.99,-2.22,;7.46,.47,;8.97,.2,;9.5,-1.25,;10.83,-2.02,;12.21,-1.19,;12.19,.35,;13.61,-1.98,;14.94,-1.21,;13.61,-3.59,;12.21,-4.38,;10.83,-3.56,;9.5,-4.33,;9.5,-5.87,;8.17,-3.56,;6.79,-4.38,;6.81,-5.92,;5.48,-6.7,;5.39,-3.59,;5.39,-1.98,;3.85,-1.98,;3.08,-3.31,;6.79,-1.19,;8.17,-2.02,;9.96,1.38,;11.54,1.08,)|

COc1ccc(NC(=O)CCl)cn1

Cc1nc2sc(cc2c(=O)n1N)-c1ccccc1

O=C(C(C#N)c1nc2ccccc2s1)c1cc2ccccc2o1

OCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1

CN1C(=O)c2ccccc2NC(=O)[C@]11O[C@@H]1c1cccc(O)c1

C[C@@H]1Cc2c(O)c(O)cc(O)c2C(=O)O1

COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C

COc1cc(\C=C2/CCc3c2nc2ccccc2c3C(O)=O)cc(OC)c1OC

Cc1ccc(\C=C\C(O)=O)cc1S(=O)(=O)N1CCCCC1

COc1ccc(cc1)N=Cc1c(O)c2ccccc2n1C(C)=O |w:8.8|

Cc1c(O)ccc(-c2n[nH]c(C(O)=O)c2-c2nc3ccccc3s2)c1O

O=C1N=c2ccccc2=C1NNc1ccccc1 |c:9,t:2|

COc1cc(cc(c1O)[N+]([O-])=O)C1[C-](C#N)C(=[NH2+])OC2=C1C(=O)CC(C)(C)C2 |c:20|

CC1(CCl)N([O-])C2=C(CCCC2)[N+]1=O |t:6|

Cc1ccccc1-n1c(O)c(C=NNC(=O)c2ccccc2O)c(=O)[nH]c1=S |w:12.13,(8.41,-4.71,;9.75,-5.48,;9.75,-7.02,;11.08,-7.79,;12.42,-7.02,;12.42,-5.48,;11.08,-4.71,;11.08,-3.17,;9.75,-2.4,;8.41,-3.17,;9.75,-.86,;8.41,-.09,;8.41,1.45,;7.08,2.22,;7.08,3.76,;8.41,4.53,;5.75,4.53,;4.41,3.76,;3.08,4.53,;3.08,6.07,;4.41,6.84,;5.75,6.07,;7.08,6.84,;11.08,-.09,;11.08,1.45,;12.42,-.86,;12.42,-2.4,;13.75,-3.17,)|

CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|

[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2sc(=O)n(c2-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-c2ccccc2)-[#6]-1=O

Cc1ccc(cc1)C(=O)Cc1nc2ccccc2oc1=O

CCN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc12

CCc1ccc(\C=C2/Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)cc1

CC1OC2(C)OC(=N)C1(C#N)C(C#N)(C#N)C2C |TLB:7:6:16.11:2.1,0:1:16.11:5.6,THB:17:16:2.1:5.6|

COc1ccc(cc1OC)C(C)N=Nc1nc2ccccc2nc1C |w:13.14|

Cn1c2ccc(N3CCCCC3)c3C(=O)c4ccccc4-c(cc1=O)c23

CS(=O)(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\C=C\c1ccccc1

CCC(C)[C@@H](N)C(=O)NN=Cc1cccc2nccnc12

Cc1ccccc1-c1ccc(\C=C2\SC(=NC2=O)N2CCOCC2)o1 |c:15|

Cn1c2nc(N=NNc3ccccc3F)[nH]c2c(=O)n(C)c1=O |w:5.4|

CC(=O)C(=NNc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(C)=O |(15.6,-2.21,;14.06,-2.21,;13.29,-3.54,;13.29,-.87,;11.75,-.87,;10.98,.46,;9.44,.46,;8.54,-.78,;7.08,-.31,;5.75,-1.08,;5.75,-2.62,;4.41,-.31,;3.08,-1.08,;4.41,1.23,;3.08,2,;5.75,2,;5.75,3.54,;7.08,1.23,;8.54,1.7,;14.06,.46,;15.6,.46,;13.29,1.79,)|

COc1ccc(cc1)N=C(C)c1sc2ccccc2c1O |w:8.8|

COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccc1 |w:22.25|

CCOC(=O)c1ccc(cc1)-c1ccc(C=O)o1

CC(C)OCCCn1c2nc3ccccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1cccs1

CC1(C)CC(=O)C2Sc3ccccc3N=C2C1 |c:15|

CC(C)OCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)c1=NC(C)=O |w:25.28|

CCOCCCn1c2nc3ccccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1cccs1

COc1cc(CN=Nc2[nH]c(=O)nnc2C)ccc1O |w:7.7|

[#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(o2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6]-1=O

O=C1C([N-]S(=O)(=O)c2cccs2)=C(C(=O)c2ccccc12)[n+]1ccc(CCCc2ccccc2)cc1 |c:12|

COC(=O)c1ccc(cc1)-n1c(C)cc(CN=Nc2nc(C)cc(=O)[nH]2)c1C |w:16.16|

Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1cccc(C(O)=O)c1C |w:5.4,(4.37,-2.82,;5.84,-2.35,;6.31,-.88,;7.85,-.88,;8.76,.36,;8.13,1.77,;9.04,3.02,;8.41,4.42,;9.31,5.67,;8.69,7.08,;7.16,7.24,;6.25,5.99,;6.88,4.58,;6.76,8.72,;7.85,9.81,;5.42,9.49,;8.33,-2.35,;9.79,-2.82,;7.08,-3.25,;7.08,-4.79,;8.41,-5.56,;8.41,-7.1,;7.08,-7.87,;5.75,-7.1,;4.41,-7.87,;4.41,-9.41,;3.08,-7.1,;5.75,-5.56,;4.41,-4.79,)|

[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6]-1=O

COc1ccc(cc1OC)C1c2ccc(O)cc2Oc2ncn(Cc3ccco3)c(=N)c12

Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1cccc(c1)C(O)=O |w:5.4|

Cc1n[nH]c(NNC(=O)c2ccccc2)c1[N+]([O-])=O

CC(=Nc1ccc(Br)cc1)c1sc2ccccc2c1O |w:2.2|

Nc1cc(C(O)=O)c(N)c2C(=O)c3ccccc3C(=O)c12

Clc1ccc2SC3C(=O)CCCC3=Nc2c1 |c:13|

CCC(C)N1C(=S)NC(=O)C(=CNNc2nc3n(C)c(=O)n(C)c(=O)c3n2C)C1=O |w:11.11|

COc1ccc(CCN2C(=O)NC(=O)C(=CNc3ccc(NC(C)=O)cc3)C2=O)cc1OC |w:15.15|

[#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]=[#6]-[#6]=[#6]\[#6]-1=[#6]/[#6]=[#6](/C#N)C#N |c:6,8|

CC(C)OCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1cccs1

C=CCn1cc\c(=N/C=C(C#N)C#N)c2ccccc12 |(5.75,6.16,;5.75,4.62,;7.08,3.85,;7.08,2.31,;5.75,1.54,;5.75,,;7.08,-.77,;7.08,-2.31,;5.75,-3.08,;5.75,-4.62,;7.08,-5.39,;8.41,-6.16,;4.41,-5.39,;3.08,-6.16,;8.41,,;9.79,-.82,;11.19,-.03,;11.19,1.57,;9.79,2.36,;8.41,1.54,)|

O=C1NC(=O)\C(=C/c2c[nH]c3ccccc23)C(=O)N1CC1CCCO1

Cc1ccc(\C=C2/C(=O)NC(=O)N(CC3CCCO3)C2=O)s1

[#6]-c1cccc(-[#6])c1-[#7]-[#6](=O)-[#7]\[#7]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1

CCN(CC)c1ccc(\C=C2/C(=O)NC(=S)N(C)C2=O)o1

CN1CCN(CC1)c1ccc(C=C2C(=O)NC(=S)N(C2=O)c2cc(C)cc(C)c2)o1 |w:11.11|

CCOCCCn1c2nc3ccccn3c(=O)c2cc(C#N)c1=NC(C)=O |w:23.26|

CCN(CC)CCN1C(C(C(=O)c2cc3cccc(OC)c3o2)C(=O)C1=O)c1ccc(F)cc1

Oc1c(C=NCCN2CCCCC2)c(=O)[nH]c(=O)n1-c1ccc(Br)cc1 |w:4.4|

COc1cc2[nH]c(C(=O)NN)c(N)c2cc1OC

CN(C)c1ccc(cc1)\N=C\c1nc(oc1OC(C)=O)-c1ccccc1

COC(=O)c1c(O)c(=Cc2ccco2)n(-c2ccccc2)c1=C |w:8.8|

CCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:10|

CC(=NCc1ccc2OCOc2c1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O |w:2.2|

Cc1cc(C)c(c(C)c1)-n1c(O)c(C=NNC(=O)c2ccncc2)c(=O)[nH]c1=O |w:14.15,(11.08,-8.09,;11.08,-6.55,;9.75,-5.78,;9.75,-4.24,;8.41,-3.47,;11.08,-3.47,;12.42,-4.24,;13.75,-3.47,;12.42,-5.78,;11.08,-1.93,;9.75,-1.16,;8.41,-1.93,;9.75,.39,;8.41,1.16,;8.41,2.7,;7.08,3.47,;7.08,5.01,;8.41,5.78,;5.75,5.78,;4.41,5.01,;3.08,5.78,;3.08,7.32,;4.41,8.09,;5.75,7.32,;11.08,1.16,;11.08,2.7,;12.42,.39,;12.42,-1.16,;13.75,-1.93,)|

OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O

Cc1cccn2c1nc1n(CC3CCCO3)c(=N)c(cc1c2=O)S(=O)(=O)c1ccccc1

COc1ccc(NC(=O)c2sc3nc(ccc3c2N)-c2cccnc2)cc1OC

CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1cccs1

CCOC(=O)c1cnc(nc1NNc1nc(C)cc(C)n1)-n1nc(C)cc1C

[O-][N+](=O)c1cccc(c1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1

CC(=O)Nc1cccc(Oc2nc(nc3ccccc23)-c2ccccn2)c1

Cc1cccc(Oc2nc(nc3ccccc23)-c2ccccn2)c1

O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccc(CCCc2ccccc2)cc1)c1cccs1

CCN(CC)C(=O)c1ccc2NC(C3CC(Sc4ccccc4[N+]([O-])=O)C(Cl)C3c2c1)C(O)=O

Cc1cc([nH]n1)C(=O)N[NH+]=C[c-]1cc(Cl)cc([N+]([O-])=O)c1=O |w:9.9|

Cc1cc(\C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(cc1)C(O)=O

Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1O

Cc1cc2nc3ccc(cc3sc2cc1N)=[N+](C)C |(12.52,4.7,;11.24,5.45,;9.9,4.69,;8.58,5.48,;7.3,4.74,;6.02,5.48,;4.7,4.69,;3.36,5.45,;3.36,6.99,;4.7,7.75,;6.02,6.96,;7.3,7.69,;8.58,6.96,;9.9,7.75,;11.24,6.99,;12.52,7.73,;2.08,7.73,;.8,7,;2.08,9.21,)|

OC(=O)c1ccccc1-n1c2ccccc2c2ccccc12 |(10.62,3.12,;9.85,1.79,;10.62,.46,;8.31,1.79,;8.31,3.33,;6.97,4.1,;5.64,3.33,;5.64,1.79,;6.97,1.02,;6.97,-.52,;5.73,-1.43,;4.16,-1.07,;3.08,-2.25,;3.58,-3.78,;5.15,-4.1,;6.2,-2.89,;7.74,-2.89,;8.8,-4.1,;10.37,-3.78,;10.86,-2.25,;9.78,-1.07,;8.22,-1.43,)|

c1ccc(nc1)-c1nc(nc(n1)-c1ccccn1)-c1ccccn1

COC1C(O)CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(O)=O

COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)C3CC12

Cc1ccc(cc1)N=Nc1c(O)ccc2nn[nH]c12 |w:8.9|

CCCn1cc2CC3C(CC(C)CN3C)c3cccc1c23

CCNc1nn2ccccc2c1C=C(C#N)C(=O)OCC

CCN(CC)CCN1C(=O)c2cccc3cc(N)cc(C1=O)c23

O[As](O)(=O)c1ccc(cc1)-c1ccc(c(c1)[N+]([O-])=O)[As](O)(O)=O

O=C1c2nc[nH]c2C(=O)c2ccccc12

CCOP(=O)(OCC)C(Nc1cccc(c1)[N+]([O-])=O)c1ccccc1

CCCCN1C(=O)NC(=O)C(=CNNC(=O)c2ccncc2)C1=O |w:11.11|

[#6]-[#6]-[#7]-[#6](=S)-[#7](-[#6])-[#6]-[#6]-c1cc2-[#8]-[#6]-[#8]-c2c(-[#8]-[#6])c1\[#6]=[#6]-1/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-1=O

Oc1cc2cccc(=O)c(O)c2c(O)c1O

CSc1nc2[nH]c(=S)[nH]c2c(=S)[nH]1

Nc1cccc2ccc(cc12)[As](O)(O)=O

Cc1ccc(Oc2nc(nc3ccccc23)-c2ccccn2)cc1

CC1(C)CC(=O)C2=C(C1)OC(N=CN1CCCC1)=C(C#N)C2c1ccccc1 |w:11.11,c:6,t:19|

Nc1ccc(Nc2ccccc2)c(c1)S(O)(=O)=O

NS(=O)(=O)c1ccc(cc1)N=Nc1c[nH]c(=O)c(O)c1 |w:10.10|

Cc1ccc(cc1)C(=O)Cc1nc2cc(C)ccc2oc1=O

NC(=Nc1ccc(N)cc1)C(N)=Nc1ccc(N)cc1 |w:2.2,12.13|

CCCCCCN1C(=S)NC(=O)C(=CNc2ccccc2N2CCOCC2)C1=O |w:13.13|

COc1cc(OC)c(\C=C2/Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1OC

Cc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)CN1CCN(CC1)C(=O)c1ccco1

COc1cc(ccc1OCCN1CCOCC1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2 |c:26|

CC1(C)CC(=O)C2=C(C1)OC(=[NH2+])[C-](C#N)[C@@H]2c1ccccc1[N+]([O-])=O |c:6|

CCN(CC)c1ccc(C=NNC(=O)c2ccco2)c(O)c1 |w:10.10|

Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|

COc1ccc(C2C(C(C)=O)=C(C)N=c3sc(=Cc4cc(C)n(C)c4C)c(=O)n23)c(OC)c1 |w:17.17,t:10,13|

COc1cccc(C2C(C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC

Cc1cc(\C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(cc1)C(O)=O

Cc1ccc(-c2ccccc2)n1-c1cccc(c1)C(O)=O

Oc1c(C=Nc2ccccc2Cl)[nH]c2ccccc12 |w:4.4|

Cc1ccc2oc(=O)c(CC(=O)c3cccs3)nc2c1

Oc1c2C3CCCN3[C@H](C(=O)c3ccccc3)c2c(O)n1-c1ccc(F)cc1

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,)|

OC(=O)c1ccccc1N=NCc1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O |w:9.9|

CSc1nnc(SCc2nc3sc(C(O)=O)c(C)c3c(=O)[nH]2)s1

[O-][N+](=O)c1cc(Cl)c[c-](\C=[NH+]\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1=O

OC(=O)c1ccc(NN=CC2=C(N3CCOCC3)C(CC2)=Cc2ccccc2)cc1 |w:8.7,21.23,c:10|

Oc1ccc2ccccc2c1C=NNC=O |w:12.14|

CCN1C\C(=C\c2cccs2)c2nc3ccccc3c(C(O)=O)c2C1

CC(N=Nc1ccc(Cl)c(c1)C(O)=O)c1ccc[nH]1 |w:3.3|

Oc1csc(=S)n1N=Cc1ccc(O)c(O)c1O |w:7.7|

Cn1c2nc(NN=C(C#N)C(N)=O)[nH]c2c(=O)n(C)c1=O |w:6.5|

COc1ccc(NC=C2C(=O)NC(=S)N(Cc3ccccc3)C2=O)c(OC)c1 |w:7.6|

COc1ccc(OC)c(NC=C2C(=O)NC(=S)N(Cc3ccccc3)C2=O)c1 |w:10.9|

COc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1

COc1cccc(C=NNC(=O)c2ccc(=O)[nH]n2)c1O |w:8.8|

Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(cc2)C(O)=O)C(O)=O)[nH]1 |w:7.7|

Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C(O)=O)[nH]1 |w:7.7|

Nc1c(C#N)c2nc3ccccc3nc2n1-c1cccc(c1)C(O)=O

CN1C(=O)NC(=O)\C(=C\c2ccc[nH]2)C1=O

CC(=O)c1ccc(cc1)-c1ccc(C=C(Sc2nnc(C)[nH]2)C(O)=O)o1 |w:13.13|

Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccc(cc1)C(O)=O

CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1

COc1c[c-](C[NH+]=Nc2[nH]c(=O)nnc2C)cc([N+]([O-])=O)c1=O |w:6.5|

COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(F)cc1)C(N)=O)C(C)=O |c:8,10|

Cn1c2ccc(Br)c3C(=O)c4ccccc4-c(c(N)c1=O)c23

Cc1nnc(SC(=Cc2ccc(o2)-c2cc(Cl)ccc2C)C(O)=O)[nH]1 |w:7.7|

[O-][N+](=O)c1ccc(cc1)-c1ccc([CH+][N-]NC(=O)c2cccnc2)o1

Brc1ccc2=NC(=O)C(NNc3nnn[nH]3)=c2c1 |c:16,t:4|

[O-]c1ccc2[n+]([O-])c3ccc(=O)cc3oc2c1

O=C(NNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O)c1ccccc1 |w:4.3|

COc1ccc(cc1)-n1c(=O)[nH]c([O-])c([CH+]c2ccc(s2)[N+]([O-])=O)c1=O

COc1ccccc1-n1c(=O)[nH]c([O-])c([CH+]c2ccc(s2)[N+]([O-])=O)c1=O |(6.91,-2.31,;8.24,-1.54,;9.57,-2.31,;9.57,-3.85,;10.91,-4.62,;12.24,-3.85,;12.24,-2.31,;10.91,-1.54,;10.91,,;12.24,.77,;13.57,,;12.24,2.31,;10.91,3.08,;10.91,4.62,;9.57,2.31,;8.24,3.08,;6.91,2.31,;5.5,2.94,;4.47,1.79,;5.24,.46,;6.74,.78,;4.61,-.95,;3.08,-1.11,;5.52,-2.19,;9.57,.77,;8.24,,)|

Clc1ccc2oc(=O)c(CC(=O)c3cccs3)nc2c1

COc1ccc(NC(=O)c2sc3nc(ccc3c2N)-c2cccnc2)cc1

Oc1ccc(C=Nn2c(csc2=NCC=C)-c2ccco2)c(O)c1O |w:6.6,12.13|

CN(C)S(=O)(=O)c1cccc(NC(=S)NN=Cc2ccc(O)c(O)c2O)c1 |w:15.14|

[H][C@]12CN(Cc3ccc(cc3)C(F)(F)F)[C@H](c3ccccc3)C11CC(C1)(C2c1ccccc1)c1ccc(cc1)C(=O)OC |wU:1.0,15.16,(11.35,-.65,;12.41,-1.42,;11.17,-2.33,;11.64,-3.78,;10.74,-5.03,;9.21,-4.87,;8.58,-3.46,;7.05,-3.3,;6.14,-4.55,;6.77,-5.95,;8.3,-6.11,;4.61,-4.38,;3.08,-4.22,;4.45,-5.92,;4.77,-2.85,;13.17,-3.78,;14.08,-5.03,;13.45,-6.44,;14.35,-7.68,;15.88,-7.53,;16.51,-6.12,;15.61,-4.87,;13.65,-2.33,;14.9,-1.42,;14.42,.04,;13.61,-1,;12.88,.04,;11.98,1.29,;12.6,2.69,;11.7,3.94,;10.17,3.78,;9.54,2.37,;10.44,1.13,;14.9,1.51,;16.4,1.83,;16.88,3.29,;15.85,4.43,;14.34,4.11,;13.87,2.65,;16.32,5.9,;15.29,7.04,;17.83,6.22,;18.31,7.68,)|

NC(=O)C(=C\c1cc(O)c(O)c(O)c1)\C#N

COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1

[#6]-[#8]-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#8]C([#6])([#6])[#8]-[#6]-2=O)cc1-[#8]-[#6]

COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:11,30,t:9|

COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(OC=C2C1=O)c1ccc(OC)cc1 |c:16,19,t:14|

CCCCC1=CC2=CC(=O)C(C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 |c:27,t:4,6|

CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:11,14,t:9|

CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:15,18,t:13|

CCCCC1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CO1 |c:30,t:4,6|

COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 |c:11,32,t:9|

CC1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:18,21,t:16|

COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(CC=C)C=C2C1=O)c1ccc(OC)cc1 |c:16,22,t:14|

COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1 |c:25,t:5,7|

COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:25,t:5,7|

COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 |c:30,t:7,9|

COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:27,t:7,9|

COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1 |c:11,30,t:9|

CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(OC=C2C1=O)c1ccc(OC)cc1 |c:12,15,t:10|

CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCN1CCOCC1 |c:6,33,t:4|

CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1C1CCCC1 |c:6,33,t:4|

CC1(OC(=O)c2cccs2)C(=O)C=C2C=C3CCCN3C=C2C1=O |c:22,t:13,15|

CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1C1CC1 |c:6,33,t:4|

COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(CCCOC(C)C)C=C2C1=O)c1ccc(OC)cc1 |c:16,26,t:14|

COc1ccc(N=Cc2c(O)n(-c3cccc(C)n3)c(=O)c3ccccc23)c(OC)c1 |w:6.5|

COc1cccc(c1)-n1c(=O)[nH]c([O-])c([CH+]c2ccc(s2)[N+]([O-])=O)c1=O

Cn1c2nc(N=NC=C(Br)Cc3ccccc3)n(CCO)c2c(=O)[nH]c1=O |w:5.4,7.6|

Clc1ccc(cc1)C(=O)NNC(=O)c1cnccn1

Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O

Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O |w:11.11|

Fc1ccc(CCN2C(=O)NC(=O)C(=CNNC(=O)c3ccccc3)C2=O)cc1 |w:14.14|

COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c(OC)c1

OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccccc1 |w:14.15|

Cc1nnc(SC(C(O)=O)=C2C(=O)Nc3ccccc23)[nH]1 |w:10.19|

O=C(NNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O)c1ccncc1 |w:4.3|

CCN(CC)c1ccc(cc1)N=Cc1c(O)n(-c2ccccc2)c(=O)[nH]c1=O |w:11.11|

Cc1cc(ccc1-c1ccc(\C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)o1)C(O)=O

Clc1ccc2oc(=O)c(CC(=O)c3ccco3)nc2c1

CCCNC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1cccc(Br)c1

Cc1ccc(cc1)-c1nc2cc(ccc2c(O)c1O)C(N)=O

Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc2ccccc12

COc1ccc(CC(=O)NNC2=Nc3cccc4cccc2c34)cc1 |t:11|

O=S(=O)(N1CCOCC1)c1cccc(c1)-c1csc(n1)-c1cccnc1

CCCCOC(=O)c1ccc(NN=C2C(=O)NC(=O)C(C#N)=C2C)cc1 |w:12.11,c:21|

CCCCn1c(O)c(C(=O)C=Cc2ccc3OCOc3c2)c(=O)[nH]c1=O |w:10.9|

S=C1NC2(CCS1)Oc1ccccc1C1CC(=NN21)c1ccccc1 |c:18|

Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O |w:11.11|

OC(=O)c1cccc(Nc2c(cc([N+]([O-])=O)c3cccnc23)[N+]([O-])=O)c1

OC(=O)c1ccccc1Nc1c(cc([N+]([O-])=O)c2cccnc12)[N+]([O-])=O

CN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O

CCOc1cc(\C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)ccc1O

CN1C(=O)C(=CN)C(C)=C(C#N)C1=O |w:5.5,t:8|

CCCNC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1ccc(F)cc1

Cc1ccc(NNC2=c3cc(F)ccc3=NC2=O)cc1 |c:7,15|

CCN(CC)C(=O)CSc1nnc2nnc3cc(OC)ccc3n12

Clc1ccccc1-c1c2COc3ccccc3-c2[nH]c(=O)c1C#N |(1.13,.04,;2.47,.81,;3.8,.03,;5.14,.81,;5.14,2.35,;3.8,3.12,;2.47,2.35,;1.13,3.12,;-.2,2.35,;-.2,.8,;-1.53,.03,;-2.87,.8,;-4.2,.03,;-5.53,.8,;-5.53,2.35,;-4.2,3.12,;-2.87,2.35,;-1.53,3.12,;-1.53,4.66,;-.2,5.43,;-.2,6.97,;1.13,4.66,;2.47,5.43,;3.8,6.2,)|

CCN(CC)C(=O)CSc1nnc2nnc3cc(Cl)ccc3n12

CCOC(=O)c1c(NC(=O)Nc2ccc(F)cc2)sc2CN(C)CCc12

Cc1ncc(C=C2C(=O)Nc3ccccc23)[nH]1 |w:5.4|

COCc1cc(=O)n2[nH]c(cc2n1)-c1cccs1

Clc1ccc(NN=C(C#N)C(=O)c2ccsc2)cc1 |w:6.5|

NC(=O)c1snnc1-c1ccccc1

Cn1nc(cc1-c1ccc(\C=C(/C#N)C(=O)c2ccccc2)s1)C(F)(F)F

CN(C)Cc1cc(O)c(CN(C)C)cc1O

CN(C)c1cc(oc(=O)c1Cl)-c1ccc(cc1)[N+]([O-])=O

Nc1c(sc2nsc(SCCN3CCOCC3)c12)C(=O)c1ccc(Cl)cc1

COc1cccc(F)c1C(=O)NC(=O)Nc1ccc2nc(C)oc2c1

O=C(NNC(=O)c1ccccc1)c1csc(n1)-c1cccnc1

Nc1c(oc2nc(cc(-c3ccco3)c12)-c1ccccc1)C(=O)NN=Cc1cccnc1

COc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cn1

COC(=O)c1cc(ccc1N1CCOCC1)-n1cccc1

NC(=O)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N

OC(=O)c1cccn1-c1ccccc1C(O)=O

OC(=O)c1cc(ccc1N1CCOCC1)-n1cccc1

Clc1ccc(cc1)-c1c2COc3ccccc3-c2[nH]c(=O)c1C#N

Cc1ccc(cc1)-c1cc(-c2ccco2)c(C#N)c(=O)[nH]1

Nc1nnc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)[nH]1

Oc1ccc(CCN2C(=O)CNC2=S)cc1O

COc1cc(cc(OC)c1OC)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2ccc(=O)oc12

COc1cc(cc(OC)c1OC)C(CCN1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

O[C@H]1[C@H](CP(=O)(Oc2ccccc2)O[C@@H]1COCc1ccccc1)NC(=O)C(Cl)(Cl)Cl

c1cc(c(cc1CC(=O)O)O)O

C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12

CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)c1ccc(cc1)C#N |c:11,14,t:9|

CC1(OC(=O)c2cnc3ccccc3n2)C(=O)C=C2C=C(OC=C2C1=O)c1ccc(cc1)C#N |c:21,24,t:19|

COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CO1 |c:11,30,t:9|

CC1(OC(=O)c2ccco2)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:15,18,t:13|

COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CO1 |c:33,t:7,9|

CCC(=O)OC1(C)C(=O)C=C2C=C(CCCCNC(=O)OC(C)(C)C)OC=C2C1=O |c:26,t:9,11|

COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 |c:29,t:7,9|

CC1(OC(=O)c2cccs2)C(=O)C=C2C=C(OC=C2C1=O)c1ccc(cc1)C#N |c:15,18,t:13|

CC1(OC(=O)c2ccc(Cl)nc2)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:17,20,t:15|

CC1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:18,21,t:16|

CCCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 |c:26,t:4,6|

CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:15,18,t:13|

COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(CCc3ccccn3)C=C2C1=O)c1ccc(OC)cc1 |c:16,28,t:14|

COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CO1 |c:25,t:5,7|

CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 |c:33,t:11,13|

COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1 |c:27,t:7,9|

CC1(OC(=O)c2cccs2)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:15,18,t:13|

COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:15,18,t:13|

CC(C)(C)OC(=O)NCCCCC1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CO1 |c:38,t:12,14|

COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:15,18,t:13|

COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CO1 |c:27,t:7,9|

COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(C=C2C1=O)c1ccc(CO)cc1 |c:22,t:13,15|

CCCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1 |c:24,t:4,6|

CCCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CO1 |c:24,t:4,6|

COC(=O)CCCC1=CC2=CC(=O)C(C)(O)C(=O)C2=CO1 |c:19,t:7,9|

CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:11,14,t:9|

CCCCC1=CC2=CC(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1 |c:24,t:4,6|

CCC(=O)OC1(C)C(=O)C=C2C=C(CCCC(=O)OC)OC=C2C1=O |c:21,t:9,11|

CC1(OC(=O)c2ccco2)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:15,18,t:13|

CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:31,t:11,13|

CC1(OC(=O)c2ccc(Cl)nc2)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:17,20,t:15|

CC1(OC(=O)c2cnc3ccccc3n2)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:21,24,t:19|

CC1(OC(=O)c2ccco2)C(=O)C=C2C=C(OC=C2C1=O)c1ccc(cc1)C#N |c:15,18,t:13|

CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1 |c:31,t:11,13|

CC(C)(C)OC(=O)NCCCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1 |c:32,t:12,14|

COc1ccc(cc1)C1=CC2=CC(=O)C(C)(O)C(=O)C2=CO1 |c:21,t:9,11|

CCCCC1=CC2=CC(=O)C(C)(O)C(=O)C2=CO1 |c:16,t:4,6|

CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CO1 |c:20,t:4,6|

CC1(O)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:7,10,t:5|

c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O

CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31

CN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31

CN(C)C1C2CC3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C

CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31

Oc1cc2CCNCC(c3ccccc3)c2cc1O

C1Oc2n(nc3ccccc23)-c2ccc(cc12)C#Cc1ccccc1

CC(C)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccc(C)cc1 |c:6|

COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|

CC[C@H](C)C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@@](C)(OC(C)=O)C(=O)C2=CO1 |c:11,25,t:9|

Oc1cc(O)c2C(=O)CC(=O)C(=O)c2c1O

Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O

FCCNC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:21|

FC(F)(F)c1ccc2NC(C3CC=CC3c2c1)C(=O)NCc1ccccn1 |c:12|

CC(C)CNC(=O)C1Nc2ccccc2C2C=CCC12 |c:17|

FC(F)(F)Oc1ccc2NC(C3CC=CC3c2c1)C(=O)NCc1ccccn1 |c:13|

COCCNC(=O)C1Nc2ccc(cc2C2C=CCC12)C(F)(F)F |c:17|

FC(F)(F)Oc1ccc2NC(C3CC=CC3c2c1)C(=O)NC1CC1 |c:13|

CC(C)CNC(=O)C1Nc2ccc(cc2C2C=CCC12)C(F)(F)F |c:17|

COCCNC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:22|

CCOC(=O)C1Nc2ccc(C)cc2C2C=CCC12 |c:16|

FC(F)(F)Oc1ccc2NC(C3CC=CC3c2c1)C(=O)NCCOc1ccccc1 |c:13|

COC(=O)CNC(=O)C1Nc2ccccc2C2C=CCC12 |c:18|

Cc1ccc2NC(C3CC=CC3c2c1)C(=O)NCCCN1CCOCC1 |c:9|

FC(F)(F)Oc1ccc2NC(C3CC=CC3c2c1)C(=O)NCCCN1CCOCC1 |c:13|

CCOC(=O)C1Nc2c(F)cc(C)cc2C2C=CCC12 |c:17|

FC(F)(F)Oc1ccc2NC(C3CC=CC3c2c1)C(=O)NCc1ccccc1 |c:13|

COC(=O)CNC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:23|

CCOC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:20|

CC(C)CNC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:22|

CCOC(=O)C1Nc2ccc(cc2C2C=CCC12)C(F)(F)F |c:15|

Oc1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1O

Cc1ccc(Nc2ccc(ccc2=O)[N+]([O-])=O)cc1

CCOc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12

CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(OC)cc2OC)o1 |w:9.8|

COc1cc(cc2OCOc12)C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2 |c:20|

OC(=O)c1ccccc1N(c1ccccc1)c1ccccc1

CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1

CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC)cc1OC |c:5,t:8|

CO[C@H]1O[C@H](CBr)[C@@H](OC(=O)c2ccccc2)[C@H](O)[C@H]1O

COc1cc(\C=C2/S\C(=N\C)N(C)C2=O)ccc1O

CCCCN(C)C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1

Clc1cccc(Cl)c1\C=C\C(=O)N1CCOCC1

OC(=O)COc1ccc(C=Cc2nnc([nH]2)-c2ccccc2O)cc1 |w:10.10|

COc1ccccc1N1C(=O)S\C(=C/c2ccc(C)s2)C1=O

COc1cc(ccc1OCc1ccccc1)C(c1c([nH]c2ccccc12)C(O)=O)c1c([nH]c2ccccc12)C(O)=O

OC(=O)c1[nH]c2ccccc2c1C(c1c([nH]c2ccccc12)C(O)=O)c1cc(Cl)cc(c1O)[N+]([O-])=O

CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:16.17|

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c(C)n1-c1ccc(C(O)=O)c(Cl)c1 |w:4.3|

COc1ccccc1N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:15.16|

COc1cccc(OCCn2cc(C=O)c3ccccc23)c1

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(F)c2)c(C)n1-c1ccc(C(O)=O)c(Cl)c1 |w:4.3|

CN(C)c1ccc(\C=C2\OC(=S)N(C)C2=O)cc1

COc1ccc(C=CC(=O)c2c(C)cc(C)[nH]c2=O)c2ccccc12 |w:6.5|

Oc1ccc2ccccc2c1C=NNC(=O)Nc1ccccc1 |w:12.14|

Cc1[nH][nH]c(=O)c1N=Nc1ccc(cc1)S(N)(=O)=O |w:8.9|

Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2cccc(F)c2)o1 |w:5.4|

Oc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1O

COc1ccc(cc1)C1CC(=O)C(=CNCCCO)C(=O)C1 |(9.39,8.82,;10.16,7.48,;9.39,6.15,;10.16,4.82,;9.39,3.48,;7.85,3.48,;7.08,4.82,;7.85,6.15,;7.08,2.15,;5.75,1.38,;5.75,-.16,;4.41,-.93,;7.08,-.93,;7.08,-2.47,;5.75,-3.24,;5.75,-4.78,;4.41,-5.55,;4.41,-7.09,;3.08,-7.86,;8.41,-.16,;9.75,-.93,;8.41,1.38,)|

CN(C(C)=O)c1ccc(cc1)N=Nc1c(C)[nH]n(C(N)=S)c1=O |w:12.13|

[#8]-[#6](=O)-c1ccccc1-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6](=S)-[#7](-[#6]-2=O)-c2ccccc2)-c2ccccc2)o1

OC(C(=O)N\[NH+]=C\[c-]1cc(Cl)cc([N+]([O-])=O)c1=O)(c1ccccc1)c1ccccc1

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(Cl)c2C)c(C)n1-c1cccc(C(O)=O)c1C |w:4.3,(12.25,5.1,;11.35,3.86,;11.82,2.39,;10.58,1.49,;10.58,-.05,;11.91,-.82,;13.25,-.05,;13.25,1.49,;14.58,-.82,;14.58,-2.36,;15.91,-3.13,;13.25,-3.13,;11.91,-2.36,;10.58,-3.13,;13.25,-4.67,;14.58,-5.44,;14.58,-6.98,;13.25,-7.75,;11.91,-6.98,;10.58,-7.75,;11.91,-5.44,;10.58,-4.67,;9.33,2.39,;7.87,1.92,;9.81,3.86,;8.9,5.1,;9.53,6.51,;8.62,7.75,;7.09,7.59,;6.47,6.19,;4.93,6.03,;4.03,7.27,;4.31,4.62,;7.37,4.94,;6.75,3.53,)|

COc1cccc(NC(=O)c2ccccc2Br)c1

CCN1\C(Sc2ccc(OC)cc12)=C1\SC(=S)N(NC(C)=O)C1=O

Clc1cc2OCOc2cc1C1C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:19|

CCOC(=O)C1Nc2ccc(Br)cc2C2C=CCC12 |c:16|

Oc1nc(=O)s[c-]1C1=c2cc(ccc2=[NH+]C1=O)[N+]([O-])=O |c:8,15|

[O-][N+](=O)c1cc(Cl)c[c-](\C=[NH+]\NC(=O)c2ccc3OCOc3c2)c1=O

Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(cc1C)C(O)=O |(3.08,.15,;4.54,.63,;5.02,2.09,;6.56,2.09,;7.47,3.34,;6.84,4.75,;5.33,5.07,;5.17,6.6,;3.84,7.37,;6.58,7.23,;7.61,6.08,;9.14,6.24,;7.04,.63,;8.5,.15,;5.79,-.27,;5.79,-1.81,;7.12,-2.58,;7.12,-4.12,;5.79,-4.89,;4.46,-4.12,;4.46,-2.58,;3.12,-1.81,;5.79,-6.43,;7.12,-7.2,;4.46,-7.2,)|

Oc1ccc2ccccc2c1C=NNC(=O)c1cncc(Br)c1 |w:12.14|

CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(C)o2)C1=O |w:16.17|

COc1ccc(N2C(=S)NC(=O)C(=Cc3ccc(C)o3)C2=O)c(OC)c1 |w:13.13|

COc1ccc(cc1)-n1c(NNC(C)=O)nc2sc3CCCCc3c2c1=O

Brc1cc2OCOc2cc1C1C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:19|

[O-][N+](=O)c1cc(ccc1Cl)-c1ccc(\C=N\n2cnnc2)o1

OC(=O)C1Nc2ccc(Br)cc2C2C=CCC12 |c:14|

OCCN(CCO)c1cccc2C(=O)c3ccccc3C(=O)c12

CN1C(=O)NC(C(C(=O)OCc2ccccc2)=C1C)c1ccccc1[N+]([O-])=O |c:17|

CN1C(=O)C(=NNc2ccccc2C)c2ccccc12 |w:5.5|

COc1cc(N=Cc2c(O)c3ccccc3oc2=O)c(OC)cc1Cl |w:5.4|

[O-]c1ccccc1\N=c1/ccc([N+]([O-])=O)c2[nH]o[nH+]c12

COc1ccc(OC)c(c1)N=Cc1c(O)c2ccccc2oc1=O |w:10.10|

CCCCN1C(=S)S\C(C1=O)=C1/Sc2ccc(OC)cc2N1CC

COc1cc2OCOc2cc1C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2 |c:20|

CN1CCc2cc3OCOc3c3-c4ccccc4CC1c23

CCN1\C(Sc2ccc(OC)cc12)=C1\SC(=S)N(CC=C)C1=O

[#6]-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-2=O)c2ccccc12

CCOC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)OCC |c:15|

CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1ccc2OCOc2c1 |c:6|

Oc1c(Br)cc(Br)c(C=Nn2c(n[nH]c2=S)-c2ccccc2)c1Br |w:9.9|

N=C1OC2=C(C(C1C#N)c1ccc3OCOc3c1)C(=O)CCC2 |c:3|

Oc1ccc(cc1O)-c1csc(Nc2ccccn2)n1

CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23

CN1C(=O)N(C)C(=O)C(=Cc2c[nH]c3ccccc23)C1=O |(12.75,-1.01,;11.73,.13,;12.2,1.6,;13.71,1.91,;11.18,2.74,;11.65,4.21,;9.67,2.43,;8.64,3.57,;9.19,.96,;7.68,.64,;7.2,-.82,;8.1,-2.06,;7.2,-3.3,;5.75,-2.83,;4.41,-3.6,;3.08,-2.83,;3.08,-1.29,;4.41,-.52,;5.75,-1.29,;10.22,-.19,;9.74,-1.65,)|

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

ClCc1nc2ccccc2n1Cc1ccccc1

[#6]-[#8]-[#6](=O)-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-2=O)c2ccccc12

O=C1C=C(Nc2cccc3cccnc23)c2ccccc2C1=O |t:2|

Cc1cc(nc(N=NCc2ccc(O)cc2O)n1)-c1ccccc1 |w:6.5|

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

COC(=O)c1ccccc1-n1c(CCC(O)=O)ccc1-c1ccccc1 |(3.72,-4.72,;5.23,-4.45,;5.76,-3,;4.77,-1.82,;7.28,-2.73,;7.28,-4.27,;8.61,-5.04,;9.94,-4.27,;9.94,-2.73,;8.61,-1.96,;8.61,-.42,;7.36,.48,;5.94,1.06,;5.72,2.58,;4.29,3.16,;4.08,4.69,;3.08,2.21,;7.84,1.95,;9.38,1.95,;9.86,.48,;11.32,.01,;11.64,-1.5,;13.11,-1.98,;14.25,-.95,;13.93,.56,;12.46,1.04,)|

Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(F)cc2)o1 |w:5.4|

CCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O

CCOC(=O)C1Nc2ccc(cc2C2C=CCC12)C(O)=O |c:15|

Cc1ccc(Cl)c2=C(NNc3ccccc3)C(=O)N=c12 |c:6,t:19|

CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:16.17|

Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1cccc(c1)C(O)=O |w:10.10|

Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(cc1)S(N)(=O)=O |w:10.10|

Cc1ccccc1NC(=O)C(=C\c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O)\C#N

O=C1NC(=S)N(C(=O)C1=Cc1ccco1)c1ccccc1 |w:9.10|

Cc1ccc2nc(cn2c1)-c1ccc(O)c(O)c1

Oc1ccccc1C(=O)NNC(=O)c1cccc(Br)c1

OC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(F)cc2)c2ccccc12 |w:7.6|

Oc1[nH+]c(\C=C\[c-]2ccc(=O)c(O)c2)[nH]c(=O)c1[N+]([O-])=O

COc1c(O)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|

COc1c(O)cccc1[C@@H](O)C1CCN(CCc2ccc(F)cc2)CC1

COc1cc(\C=C2\N=C(OC2=O)c2ccccc2)c(F)cc1OCc1ccccc1 |c:7|

CC1(C)c2[nH]c3ccccc3c2Cc2c(O)n(-c3ccc(F)cc3F)c(=O)n12 |(3.61,-.53,;5.15,-.53,;4.38,.81,;5.15,-2.07,;4.01,-3.09,;4.64,-4.49,;3.97,-5.94,;4.89,-7.23,;6.48,-7.07,;7.12,-5.61,;6.16,-4.33,;6.48,-2.84,;7.82,-2.07,;7.82,-.53,;8.95,.5,;10.46,.18,;8.33,1.9,;9.1,3.23,;8.33,4.57,;9.1,5.9,;10.64,5.9,;11.41,7.23,;11.41,4.57,;10.64,3.23,;11.41,1.9,;6.81,1.74,;5.78,2.89,;6.48,.24,)|

O=C(C1CCN(CC1)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1)N1CCCCC1

Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|

COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c2ccccc12 |w:8.7|

Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1c(Cl)cc(cc1Cl)[N+]([O-])=O |w:10.10|

CC(C)(C)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1

Oc1ccc(cc1\C=C1/S\C([N-]C1=O)=[NH+]\c1ccccc1Cl)[N+]([O-])=O

Oc1cccc(C=NN=Cc2cccc(O)c2O)c1O |w:7.7,9.9|

COc1ccc(\C=C2/N=C(C)OC2=O)cc1OC |t:8|

C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1

Oc1ccc(cc1O)C1=CSC2=NCCN12 |t:9,12|

Cc1cc(O)cc2O\C(=C/c3ccco3)C(=O)c12

CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccccc1[N+]([O-])=O

CN(C)Cc1c(O)cc(=C)c2c(O)c(=Cc3ccco3)oc12 |w:14.14|

Oc1ccc(cc1O)C1C[C@H]2CC[C@@H]1C2 |TLB:4:8:14:12.11|

COC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12

COc1ccc(cc1OC)-c1c[nH]nc1-c1ccc(OCC(=O)NN)cc1O

OCCCNc1ncnc2sc3CN(Cc4ccccc4)CCc3c12

Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(Br)cc1

Cc1cc2oc(=O)c(CC(=O)NCCCO)c(C)c2c2occ(c12)C(C)(C)C

CN1CC(C)=C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |c:4|

COc1ccccc1-c1cnn2c(NCc3ccccc3)cc(C)nc12

OC(=O)C1Nc2c(ccc(Cl)c2C2C=CCC12)C(F)(F)F |c:14|

Cc1ccc(cc1)-c1ccc(CCC(O)=O)n1-c1cccc(c1)C(O)=O

CCOC(=O)c1ccc(cc1)-n1c(CCC(O)=O)ccc1-c1ccccc1

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

COC(=O)c1ccccc1-n1c(CCC(O)=O)ccc1-c1ccc(F)cc1 |(3.72,-4.72,;5.23,-4.45,;5.76,-3,;4.77,-1.82,;7.28,-2.73,;7.28,-4.27,;8.61,-5.04,;9.94,-4.27,;9.94,-2.73,;8.61,-1.96,;8.61,-.42,;7.36,.48,;5.94,1.06,;5.72,2.58,;4.29,3.16,;4.08,4.69,;3.08,2.21,;7.84,1.95,;9.38,1.95,;9.86,.48,;11.32,.01,;11.64,-1.5,;13.11,-1.98,;14.25,-.95,;15.71,-1.42,;13.93,.56,;12.46,1.04,)|

CCOC(=O)c1ccc(cc1)-n1c(CCC(O)=O)ccc1-c1ccc(F)cc1

CCOc1cc(\C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(C)C(O)=O

COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:15.16|

COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(C)o2)C1=O |w:15.16|

[#6]=[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12

COc1ccc(cc1)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(O)cc2O)s1 |w:19.19|

Brc1ccc2NC(=O)\C(=C3\SC(=O)NC3=O)c2c1

Oc1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(Cl)cc1

OC(=O)c1cccc(NC(=S)NC(=O)C=Cc2ccco2)c1 |w:15.15|

Oc1cc2OC(=N)C(C#N)C(c3ccccc3F)c2cc1Cl

CN1C(=O)c2cccc3c(N)ccc(C1=O)c23

Cc1ccn2cc(nc2c1)-c1ccc(O)c(O)c1

Cc1ccc(cc1S(N)(=O)=O)-c1nnc(Nc2ccc(CC(N)=O)cc2)c2ccccc12

Oc1ccc(cc1O)-c1cn2ccccc2n1

OC(=O)CCC(=O)NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1

[#6]-[#8]-[#6](=O)-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12

N1N=C(N=NC1c1ccccn1)c1ccccn1 |c:1,3|

CCOc1ccc2nc3cc(NCc4ccc(OC)cc4)ccc3c(N)c2c1

COc1cc(cc2OCOc12)C1C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:20|

COc1ccc2[nH]c3C(NCCc3c2c1)c1ccc(o1)[N+]([O-])=O

OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:14.14|

CN1C(=O)N(C)C(=O)C(=Cc2cc3ccccc3[nH]c2=O)C1=O |(8.41,3.56,;7.08,2.79,;5.75,3.56,;5.75,5.1,;4.41,2.79,;3.08,3.56,;4.41,1.25,;3.08,.48,;5.75,.48,;5.75,-1.06,;7.08,-1.83,;8.41,-1.06,;9.75,-1.83,;11.13,-1.01,;12.52,-1.8,;12.52,-3.4,;11.13,-4.2,;9.75,-3.37,;8.41,-4.14,;7.08,-3.37,;5.75,-4.14,;7.08,1.25,;8.41,.48,)|

Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O

O=C1c2[nH]c(=O)[nH]c2C(=O)c2ccccc12

Cc1cc(C)nc(NN2C(=O)C=CC2=O)n1 |c:11|

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

COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1CN=Nc1ccccc1 |w:18.19|

CCN(CC)C(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:15|

Oc1ccc(N=Nc2ccccc2-c2nnn[nH]2)c(O)c1 |w:6.6|

CN1C(=O)S\C(=C/c2cc(C)n(c2C)-c2cccc(c2)C(O)=O)C1=O

CN(C)c1ccc(C=NN(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc23)cc1 |t:19|

Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=NNC(=O)c1ccc(O)cc1O |w:15.17|

Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21

Oc1cc([O-])ccc1\C=[NH+]\NC(=O)CNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O

CCCCN1C(=O)NC(=O)\C(=C\c2c[nH]c3ccccc23)C1=O

CCN(CC)C(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)c2ccccc12 |w:11.10|

CN1C(=O)NC(C2=C1CCCC2=O)c1ccccc1[N+]([O-])=O |c:6|

COc1ccc(\C=C\c2ccc3c(Br)ccc(O)c3n2)cc1

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(C)cc2)c(C)n1-c1ccc(cc1)C(O)=O |w:4.3|

Brc1ccc(cc1)C1c2c(Oc3[nH]c(=S)[nH]c(=O)c13)[nH]c(=S)[nH]c2=O

COc1ccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)c(OC)c1 |w:13.13|

COC(=O)c1ccc(cc1)-n1c(CCC(O)=O)ccc1-c1ccccc1

COC(=O)c1ccc(cc1)-n1c(CCC(O)=O)ccc1-c1ccc(C)cc1

OC(=O)CCc1ccc(-c2ccccc2)n1-c1ccc(cc1)C(O)=O

OC(=O)CCc1ccc(-c2ccccc2)n1-c1cccc(c1)C(O)=O

Clc1cccc(NNC2=c3ccccc3=NC2=O)c1 |c:8,15|

OC(=O)C1Nc2c(cccc2C(F)(F)F)C2C=CCC12 |c:17|

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(c1)C(O)=O |w:4.3|

Cc1cccc(NNC2=c3cc(Br)ccc3=NC2=O)c1 |c:8,16|

COc1ccc(OC)c(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:17.18|

CN(C)CCN(C)Cc1c2ccccc2c(CN(C)CCN(C)C)c2ccccc12

Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12

COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cn1

CCOc1ccccc1N1CCN(CC1)C(=O)CNC(=O)c1ccccc1F

CCOc1ccccc1NC(=O)Nc1ccc(OC)nc1

CC(=NN=C(C)c1ccccc1O)c1ccccc1O |w:2.2,4.4|

[O-][N+](=O)C1C(=O)c2cccc3cccc(C1=O)c23

OC(=O)C(=O)C(=C/c1ccsc1)\c1ccc2ccccc2n1

Cc1cccc(c1)C(=O)NCCCNC(=O)c1cccc(C)c1

COc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cn1

c1coc(c1)-c1nnc(nn1)-c1ccco1

CC(=O)Nc1ccc(\C=C\C(=O)c2ccc3OCCOc3c2)cc1

COc1ccc(NC(=O)\C=C\c2cccc(Br)c2)cn1

CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(C)n(c2C)-c2cc(cc(c2)C(O)=O)C(O)=O)C1=O |w:15.16|

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O |w:4.3|

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(C)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O |w:4.3|

Oc1cc(cc(O)c1O)C(=O)NN=Cc1cccnc1

Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O |w:4.3|

CC(N=Nc1ncnc2sc(C)c(C)c12)c1ccccn1 |w:3.3|

CCC1(NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O)c1ccccc1

Cc1ccc2=NC(=O)C(NNc3ccccc3C)=c2c1 |c:18,t:4|

FC(F)(F)c1nc2cccc3ccc(C=O)c([nH]1)c23

COc1ccc(Nc2nc(nc3ccccc23)-c2cccnc2)cn1

Cn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12

Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4|

Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1

Oc1ccc(C=NN2CCCCC2)c(O)c1O |w:6.6|

ClC(Cl)(Cl)COS(=O)(=O)N[C@H]1C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c2ccccc12

COCCn1c(N)c(NCc2ccccc2)c(=O)[nH]c1=O

CCOc1ccc2ccccc2c1C1NC(=O)N(C)C(C)=C1C(=O)OCCOC |c:22|

Cc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1O |w:12.13|

Nc1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1

CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc2ncccc12

NC(=O)c1c(NC(=O)c2ccccc2)sc2CN(Cc3ccccc3)CCc12

NC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2CN(Cc3ccccc3)CCc12

CC(=O)N1CCc2c(C1)sc(NC(=O)C1CCCCC1)c2C(N)=O

CC(C)OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

COc1ccc(cc1OC)-c1cc2ccc(OCC(N)=O)cc2oc1=O

CCOC(=O)N1CCN(CC(=O)c2ccc(O)cc2O)CC1

Cc1ccc(NC(=S)c2ccc3ccccc3n2)c(C)c1

Nc1cccc2C(=O)N(Cc3nnc(o3)-c3ccccc3Br)C(=O)c12

[#7]-[#6](=O)-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12

[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12

CCOc1cc(C=C2SC(Nc3ccc(CC)cc3)=NC2=O)ccc1OCC(O)=O |w:6.5,c:19|

O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1 |w:3.2,14.14,t:5,17|

Nc1nc(cs1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:19|

[O-][N+](=O)c1ccc(cc1)\[NH+]=N\c1ncc[n-]1

Fc1cccc(c1)N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:14.15|

CCOc1cc(cc(c1O)[N+]([O-])=O)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O

COc1ccccc1NCC(=O)NN=Cc1c(O)ccc2ccccc12 |w:13.13|

OC(=O)CCNc1ccc(NCCC(O)=O)c2C(=O)c3ccccc3C(=O)c12

CN1c2ccc(C=O)c3c(C=O)ccc(N(C)C1(C)C)c23

COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cn(C)c3ccccc23)C1=O |w:15.16|

Fc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:14.15|

S=c1[nH]nc2n1c1ccccc1[nH]c2=S

Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c2ccccc12 |w:4.3|

COc1ccc(OC)c(c1)N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:17.18|

COc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(C)o2)C1=O |w:15.16|

Nc1ccc2nc([nH]c2c1)-c1cccc(n1)-c1nc2ccc(N)cc2[nH]1

CN1C(=O)N(C)C(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C1=O |(14.09,-1.01,;13.06,.13,;13.54,1.6,;15.04,1.91,;12.51,2.74,;12.99,4.21,;11,2.42,;9.97,3.57,;10.52,.96,;9.02,.64,;8.54,-.82,;9.44,-2.06,;8.54,-3.3,;7.08,-2.83,;5.75,-3.6,;4.41,-2.83,;4.41,-1.29,;3.08,-.52,;5.75,-.52,;7.08,-1.29,;11.55,-.19,;11.07,-1.65,)|

OC(=O)\C=C\C(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C#N

Cc1cc(=O)[nH]c(N=NCc2ccc(O)c(O)c2)n1 |w:7.6|

CCOc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:16.17|

COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)N(C)C)C1=O |w:15.16|

[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12

CC(=O)c1ccc(cc1)C(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C(N)=O

Oc1ccc(CN=Nc2ccc(Cl)nn2)c(O)c1O |w:7.7|

CCC(=O)Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O

CN(C)c1ccc(C=NN=C2NS(=O)(=O)c3ccccc23)cc1 |w:9.8,7.6|

NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12

COc1cc(cc(OC)c1C)C(=O)NC(c1ccccc1)c1ccccc1

c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O

NC(=O)CC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(NC2CCCCCC2)c(c1)[N+]([O-])=O

COC(=O)C1=C(C)N(Cc2ccccc2)C(N[C@H]1c1ccccc1)=NCC(C)C |w:24.27,c:4|

Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C1)C(=O)Nc1ccc(Br)cc1

[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2cn(-[#6]-[#6](=O)-[#7]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)c3ccccc23)-[#6]-1=O

[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2cn(-[#6]-[#6](=O)-[#7]-3-[#6]-[#6]-[#6]-[#6]-3)c3ccccc23)-[#6]-1=O

CC(C)(C)c1ccc(OCc2ccc(o2)C(=O)Nc2cccnc2)cc1

Cc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)N2CCC3(CC2)OCCO3)cc1

CC1CCCN(C1)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12

CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12

FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCC1CCCO1)-c1cc(Br)cs1

Cc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccccc2)c1=N

COc1ccc(NS(=O)(=O)c2ccc3N[C@@H]([C@@H]4CC=C[C@@H]4c3c2)c2ccc(cc2)C(O)=O)cc1 |c:18|

COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c(OC)c1 |w:13.13|

OC(=O)c1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccccc2F)C(=O)c2ccccc12 |w:12.12,t:15|

CN(C)\C=C\c1onc(C)c1S(=O)(=O)N(C)c1ccc(C)cc1

CCOC(=O)N1CCN(CC1)C(=O)c1ccc2S\C(=C\c3ccc(OC)c(OC)c3)C(=O)Nc2c1

CC(C(=O)N1CCOCC1)n1nc(C)c2c(C)n(nc2c1=O)-c1ccccc1

CC(C)c1ccc(\C=C(/NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1

Clc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCCC2)c1=N

COc1ccc(OC)c(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCN1CCOCC1

Cc1cccn2c1nc1n(Cc3cccnc3)c(=N)c(cc1c2=O)C(=O)NCCN1CCOCC1

Cc1cccn2c1nc1n(Cc3ccccc3)c(=N)c(cc1c2=O)C(=O)NC1CCCCC1

CSCC(C)N1CCC(CC1)N1CCC(CC1)C(=O)NCc1ccccn1

COc1ccc(\C=C2/SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1OC

CC1(C)CC(NC(=O)CSc2ccccn2)c2cnn(c2C1)-c1cccc(F)c1

OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1

COc1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1

COc1ccc(CCNC(=O)c2nn(C)c-3c2CS(=O)(=O)c2ccccc-32)cc1OC

Cc1ccc(NC(=O)CCS(=O)(=O)c2cc3OCC(=O)Nc3cc2Cl)cc1

CN(c1cccc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1

Cc1ccc(cc1S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1)[N+]([O-])=O

CCc1ccc(\C=C2\SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1

COCC1CCN(CC1)C(=O)CC1N(Cc2cccc(Oc3ccccc3)c2)CCNC1=O

CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)N1CCOCC1

CN(C)c1ccc(\C=C2/N=C(OC2=O)C(C)(C)C)cc1 |c:9|

CSc1sccc1\C=C(\C#N)C(=O)c1ccco1

OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O

Clc1ccc(cc1)-c1nsc2c(ncnc12)N1CCN(CC1)C(=O)c1ccco1

CCN1C(=O)NC(=O)\C(=C/c2cn(CC(O)=O)c3ccccc23)C1=O

COCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)c2ccccc12 |w:11.10|

OC(=O)c1cccc(c1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O

OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O

COc1cc(NC(=O)CSc2nc3ncnc(N)c3[nH]2)c(cc1OC)C(O)=O

Cc1ccc2nc3n(C4CCCC4)c(=N)c(cc3c(=O)n2c1)C(=O)NCC1CCCO1

CCOc1cc(\C=C\c2cccc[n+]2C)ccc1OCC(=O)Nc1ccc(C)cc1

CCN1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=C(C)c2ccc(Cl)cc2)CC1 |w:21.22|

Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCC3CCCO3)c2=N)cc1

[O-][N+](=O)c1ccccc1C(=O)NNC(=O)C(=O)CC(=O)c1ccccc1

CC1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2cccs2)C1=O

C=CCOc1cccc(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1Cc1ccco1

CCCOc1cccc(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nnc(C)s1

O=[#6](-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12)-[#7]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#8]-1

COc1ccc(cc1OC)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nnc(C)s1

Cc1cccn2c1nc1n(CCc3ccccc3)c(=N)c(cc1c2=O)C(=O)NC1CCCC1

CCCCc1ccc(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)cc1 |c:21,t:13|

Cc1ccc(CS(=O)Cc2ccc(o2)C(=O)N2CCN(CC2)c2ccccc2)cc1

N=c1c(cc2c(nc3ccccn3c2=O)n1CCc1ccccc1)C(=O)NC1CCCCC1

COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(OC)cc2)c2ccccc12 |w:8.7|

CCOc1cc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OCCOc1cccc(OC)c1 |w:6.5,c:13,t:10|

O=C(Nc1ccnn1C1CCN(CC2CCC=CC2)CC1)c1ccccc1 |c:17|

Cc1ccc(o1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1cccc(Br)c1

Clc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccccc2)c1=N

Clc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N

COc1ccccc1OCC(=O)NN=Cc1c(O)ccc2ccccc12 |w:13.13|

OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O

N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)C(=O)NC1CCCCC1

Cc1cccn2c1nc1n(CCc3ccccc3)c(=N)c(cc1c2=O)C(=O)NCC1CCCO1

COc1ccc(\C=C2/SC(=S)N(CCC(=O)NC3CCCC3)C2=O)cc1OC

CCOC(=O)C1CCN(CC1)C(=O)c1ccc2S\C(=C\c3ccc(C)cc3)C(=O)Nc2c1

Cc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)N2CCN(CC2)c2ccccn2)cc1

Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|

Cc1cccn2c1nc1n(Cc3cccnc3)c(=N)c(cc1c2=O)S(=O)(=O)c1ccccc1

O=c1c2ccccc2oc2ccc(NCCCn3ccnc3)cc12

O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(o2)-c2ccc(cc2)S(=O)(=O)[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6](=O)-[#7]-1

NC1=NC(=O)C(S1)=Cc1ccc(o1)-c1ccc(cc1)S(N)(=O)=O |w:7.8,t:1|

COc1ccccc1\C=C1\SC(=S)N(CCC(=O)Nc2cccnc2)C1=O

OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C\C=C\c3ccccc3)C2=O)cc1

CCc1ccc(cc1)C(=O)NNC(=O)c1ccc(=O)n(C)n1

NS(=O)(=O)c1ccc(NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1

CCc1c(C)scc1C(=O)NNC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1

Brc1ccc(cc1)S(=O)(=O)NNC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1

COc1c2OCOc2cc(CCN(C)C(=O)c2ccccc2)c1\C=C1\C(=O)NC(=O)N(C)C1=O

OC(=O)c1cccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1

CSCC(C)N1CCC(CC1)Oc1cccc(c1)C(=O)NCc1ccccn1

CSCC(C)N1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1

CC(C)Cc1nnc(NC(=O)CCC(=O)N2CC(C)CC(C)C2)s1

COc1ccc(CCNC(=O)c2cc3c(nc4c(C)cccn4c3=O)n(CCCN3CCOCC3)c2=N)cc1

CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1cccc(O)c1 |w:2.2|

Fc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NC3CCCCC3)c2=N)cc1

Clc1ccccc1Cn1c2nc3ccccn3c(=O)c2cc(C(=O)NCC2CCCO2)c1=N

COCCn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(Br)cc1

CSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(F)cc1

CSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(Cl)c1

Fc1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nnc(SCC=C)s1

CCc1c(C)nc(SCC(=O)NNC(=O)c2ccco2)[nH]c1=O

COc1ccc(CCn2c3nc4ccccn4c(=O)c3cc(C(=O)NC3CCCCC3)c2=N)cc1

Brc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCCC2)c1=N

N=c1c(cc2c(nc3ccccn3c2=O)n1CCc1ccccc1)C(=O)NCCN1CCOCC1

N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1ccccc1)C(=O)NC1CCCC1

COc1ccccc1CCC(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1

COc1ccc(cc1CSCC(O)=O)C(=O)\C=C\c1ccc(cc1)-c1ccccc1

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N1CCC(CC1)C(=O)NCC(=O)Nc1ccc(F)cc1

O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccccc1)C1CC1 |w:2.1|

CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1nc(no1)-c1cccc(C)c1

Oc1ccc(CCC(=O)N\N=C\c2cc3OCOc3cc2[N+]([O-])=O)cc1O

Brc1ccc(s1)C(=O)N1CCN(CC1)c1ccccn1

COc1ccc(c(OC)c1)-c1cc(C(=O)NN=C(C)c2ccco2)c2ccccc2n1 |w:16.16|

Clc1ccccc1C(=O)N=c1ccn(cc1)-c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 |(7.08,8.09,;5.75,7.32,;4.41,8.09,;3.08,7.32,;3.08,5.78,;4.41,5,;5.75,5.78,;7.08,5,;8.41,5.78,;7.08,3.47,;8.41,2.7,;9.75,3.47,;11.08,2.7,;11.08,1.16,;9.75,.39,;8.41,1.16,;12.42,.39,;13.75,1.16,;15.08,.39,;16.46,1.21,;17.86,.42,;17.86,-1.19,;16.46,-1.98,;15.08,-1.16,;13.75,-1.93,;12.42,-1.16,;11.08,-1.93,;11.08,-3.47,;9.54,-3.47,;12.62,-3.47,;11.08,-5,;9.75,-5.78,;9.75,-7.32,;11.08,-8.09,;12.42,-7.32,;12.42,-5.78,)|

[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2ccccc2-[#8]S(=O)(=O)c2ccccc2)-[#6]-1=O

COc1ccccc1C(=O)Nc1ccnn1C1CCN(CC1)C(C)CSC

Fc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O |w:14.15|

NC(=O)[C@@H]1CCCN1Cc1c(nc2ccc(Cl)cn12)C(=O)N1CCc2ccccc2C1

CN(C)c1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1

Cc1cc(ccc1-c1ccc([CH+][N-]NC(=O)c2ccc(Br)o2)o1)[N+]([O-])=O

[O-][N+](=O)c1ccc(\C=C\C(=O)NNC(=O)c2ccc(F)cc2)o1

CN(C)C1=NC(=O)\C(S1)=C\c1ccc(o1)-c1ccc(cc1)S(N)(=O)=O |t:3|

NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/NC(=S)NC2=O)o1

Cc1ccc(NC(=O)COc2ccc(\C=C3\C(=O)NC(=O)N(CC=C)C3=O)cc2)cc1

O=C(CNC(=O)\C=C\c1ccco1)NNC1=c2ccccc2=NC1=O |c:16,23|

Cc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1

CC1=Nc2ccc(C)cc2\C1=C\c1c(N)n2nc(CC(=O)N3CCOCC3)sc2nc1=O |t:1|

COc1c2OCOc2cc(CCN(C)C(=O)c2ccccc2)c1\C=C1\C(=O)NC(=O)N(CC=C)C1=O

CCN(CC)c1ccc(\C=C2/C(=O)N=C3SC(CC(=O)N4CCCC4)=NN3C2=N)cc1 |c:25,t:13|

Oc1ccccc1C(=O)N=NC=C1SC(=O)N=C1N1C=CC(C=C1)c1ccncc1 |w:12.13,10.11,c:17,21,24|

NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)o1

NS(=O)(=O)c1ccc(cc1)-c1cccc(\C=C2/SC(=O)NC2=O)c1

Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccc(OCC=C)c1

Fc1ccccc1C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nnc(SCC=C)s1

CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O

CCCCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1nnc(C)s1

[#7]\[#6](-[#7])=[#7]\[#7]-c1ccc(cc1)-[#7]=[#7]-[#6](-[#7])=S |w:11.11|

COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1

Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1ccc(cc1)[N+]([O-])=O

CSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccccc1

CCCSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccccc1F

CN(C)c1cccc2n(C)nc(NS(=O)(=O)c3cn(C)cn3)c12

CSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(SC)cc1

CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O

COc1cccc(\C=C2/SC(=S)N(CCCC(=O)NC3=NCCS3)C2=O)c1 |t:19|

CN1CCc2c(C1)sc(NC(=O)c1ccc3ccccc3c1)c2C(N)=O

Cc1cc(NC(=O)CSc2nc3cc(C)ccn3c(=O)n2)no1

Cc1ccc(cc1C)-n1ncc2c(NNC(=O)c3ccco3)ncnc12

CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2C)sc2CN(C)CCc12

Oc1cc(cc(O)c1O)C(=O)OCCc1ccccc1

COc1ccc(cc1OC)C1CC(=Nc2ncnn12)c1ccc(Br)s1 |c:13|

CCCOc1ccc(C=c2sc3nc(nn3c2=O)-c2ccco2)cc1OCC

CC(=O)c1ccc(NC(=O)CSc2nnc(o2)-c2ccncc2)cc1

CCN1CCc2c(C1)sc(NC(=O)c1ccc3ccccc3c1)c2C(N)=O

CC(=O)N1CCc2c(C1)sc(NC(=O)C1CCCN1S(=O)(=O)c1cccs1)c2C(N)=O

CC(C)N1CCc2c(C1)sc(NC(=O)c1ccc3ccccc3c1)c2C(N)=O

CC(C)N1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N(C)CC1CCCO1)c2C(N)=O

COc1ccccc1N1CC(CC1=O)C(=O)Nc1nnc(SCC(=O)NC(C)C)s1

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |r|

CCCCN(C(=O)c1ccc(o1)[N+]([O-])=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O

CCCn1c(N)c(N(CCOC)C(=O)Cc2ccc(s2)S(=O)(=O)N2CCOCC2)c(=O)[nH]c1=O

[O-][N+](=O)c1ccc(Cl)cc1C(=O)NNC(=O)c1csc(n1)N1CCOCC1

Oc1ccccc1C(=O)NNC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1F

Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1S(=O)(=O)N1CCOCC1

CC(OC(=O)C(=C\c1ccc(cc1)N(C)C)\C#N)C(=O)Nc1ccc(NC(C)=O)cc1

Clc1cnc(NC(=O)COC(=O)C2CCCC2)c(Cl)c1

[O-][N+](=O)c1ccccc1C(=O)NNC(=O)c1csc(n1)N1CCOCC1

Oc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1

CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11|

N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)S(=O)(=O)c1ccccc1

[H][C@]1(c2cccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O)[C@]1([H])c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O

C[C@@H]1C2C(O)C3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12

CN(C)[C@H]1C2C(O)C3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O

Cc1ccc(cc1C(=O)NNC(=O)c1csc(n1)N1CCOCC1)S(=O)(=O)Nc1ccccc1F

Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1nnc(C)s1)c1cccc(OCC=C)c1

CCc1cc(sc1C)C(=O)Nc1ccc(OC)nc1

Cc1ccc(cc1C(=O)NNC(=O)c1ccccc1O)S(=O)(=O)Nc1ccccc1F

Cc1cnc(cn1)C(=O)NNC(=O)c1ccc(Br)cc1