Compound Name

SMILES String

C[C@H](Nc1cc2c(noc2cn1)-c1cccc(C)c1)c1ccccc1 |r|

C[C@H](Nc1cc2c(noc2cn1)-c1ccc2OCOc2c1)c1ccccc1 |r|

C[C@H](Nc1cc2c(noc2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r|

CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br

Nc1ccc(cc1)-c1csc2ncnc(N)c12

Nc1ncnc2scc(-c3ccc(NC(=O)c4ccccc4)cc3)c12

Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1

CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl

c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br

Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C

C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

N[C@H](COc1cncc(c1)-c1cc2ccncc2s1)Cc1c[nH]c2ccccc12 |r|

N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C\c3ccco3)c2c1)Cc1c[nH]c2ccccc12 |r|

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1

COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O |r,t:16|

COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2cc1OC

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r|

C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(c1)-c1ccccc1NC(C)=O)c1ccccc1 |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

COc1cc(ccc1Nc1ncc(C(C)=O)c(NC2CCCC2)n1)N1CCN(C)CC1

CN1CCN(CC1)c1ccc(Nc2ncc(C(C)=O)c(NC3CCCC3)n2)cc1

COc1cc2ncn(-c3cc(OCc4ccccc4Cl)c(s3)C(N)=O)c2cc1OC

COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2cc1OC |r|

COc1cc2ncn(-c3cc(O[C@@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2cc1OC |r|

COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2c1 |r|

COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1 |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC[C@@H](O)CO)cc12)c1ccccc1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OCCCN(C)C)cc12)c1ccccc1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC[C@@H](O)CN3CCCC3)cc12)c1ccccc1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OCC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OCC3CCN(C)CC3)cc12)c1ccccc1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCNCC3)cc12)c1ccccc1C(F)(F)F |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(O[C@H]3CCCN(C)CC3)cc12)c1ccccc1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(O[C@@H]3CCCN(C)CC3)cc12)c1ccccc1Cl |r|

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(ccc3OC(F)(F)F)N3CCN(C)CC3)ncc2N(C)C1=O |r|

CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1

CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O

O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1

O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 |r|

CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|

Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1

NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12

OC(CN1CCCC1)Cn1cc(CC(O)=O)c2ccccc12

CC1=CC(=O)C(=CC1=O)C(C)C

COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|

Cn1c2C(=O)c3ccccc3-c2c(=O)c2ccccc12

O=C1c2ccccc2-c2c1oc1ccccc1c2=O

Cc1c2cnc(nn2c(n1)c3ccccc3)Nc4cc(c(c(c4)OC)OC)OC

COc1cc(Nc2ncc3c(C)nc(-c4cccc(c4)C(F)(F)F)n3n2)cc(OC)c1OC

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

COc1ccc(Br)cc1\C=c1/sc2nc(=O)c(C)nn2c1=O

C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1OC(F)F |r|

NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4F)nc3-c12

CC(=O)Nc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4Oc4ccccc4)nc3-c12

COc1cc(ccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1

CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c(c1)C(C)=O

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4C(F)(F)F)nc3-c12

CC(=O)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1C(C)=O

CN1CCN(CC1)c1ccc(C(C)=O)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

COc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

CC(C)c1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1

Cc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

CNc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4N)nc3-c12

CSc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(C)c1)c1ccccc1C(F)(F)F |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(C)c1)c1ccccc1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1cnn(C)c1)c1ccccc1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(N)n1)c1ccccc1C(F)(F)F |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccncc1)c1ccccc1C(F)(F)F |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1ccncc1)c1ccccc1C(F)(F)F |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccncc1)c1ccccc1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1ccncc1)c1ccccc1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cccnc1)c1ccccc1C(F)(F)F |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1cccnc1)c1ccccc1C(F)(F)F |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccccn1)c1ccccc1C(F)(F)F |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cccs1)c1ccccc1C(F)(F)F |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccc[nH]1)c1ccccc1C(F)(F)F |r|

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|

CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|

CN1CCN([C@H](CO)C1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 |r|

CN1CCC(CC1)C(=O)Nc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCN)c4-c3n2)C(N)=O)c1

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCOC5CCOCC5)c4-c3n2)C(N)=O)c1

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCCN)c4-c3n2)C(N)=O)c1

CN(C)CCCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

CN1CCC(=CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 |c:4|

CN1CCC(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(cn(C)c4-c3n2)C(N)=O)c1

CN(C)CCCN1CCC(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC(=O)[C@@H]5CCCN5)ccc4OC(F)(F)F)nc3-c12 |r|

CCN(CC)CCN(C)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC5CCCN5)ccc4OC(F)(F)F)nc3-c12

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(N)ccc4OC(F)(F)F)nc3-c12

CN1CCN(CCCNc2ccc(OC(F)(F)F)c(Nc3ncc4CCc5c(nn(C)c5-c4n3)C(N)=O)c2)CC1

CN1CCCC1CCNc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

CN1CCN([C@@H](CO)C1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 |r|

Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO

CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3

COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1

Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCNCC2)n1)C(N)=O

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCO)C(N)=O)c1

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCOC2CCCCO2)C(N)=O)c1

Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCN(CC2)C(=O)OC(C)(C)C)n1)C(N)=O

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CC(F)(F)F)c1

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCN(C(=O)OC(C)(C)C)C3=O)n2C)c1

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CCO)c1

CN(C)CCCc1cnc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1

CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1

CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1C(F)(F)F

COc1ccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)cc1CCCN(C)C

CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1F

CN(C)CCCc1cc(Cl)cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1

CC(C)c1ccc(CCCN(C)C)cc1Nc1ncc2CC(=S)Nc3cc(Cl)ccc3-c2n1

CN(C)CCCc1ccc(c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1)C(F)(F)F

CN(C)CCCc1ccc(OC(F)(F)F)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1

COc1ccc(CCCN(C)C)cc1Nc1ncc2CC(=S)Nc3cc(Cl)ccc3-c2n1

CN(C)CCCc1ccc(Cl)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1

CN(C)CCCc1ccc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1

CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccc(CCOCc2ccccc2)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1c(F)cccc1Oc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1c(F)cccc1Oc1cccc(O)c1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccc(CCO)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1c(F)cccc1Oc1cccc(OCc2ccccc2)c1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|

Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O

CN1CCCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCC(CC4)N4CCCC4)nc3-c12

CN1C(C)(C)CC(CC1(C)C)Nc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)[N+]4([O-])CC[N+](C)([O-])CC4)nc3-c12 |(40.62,-1.5,;41.66,-.36,;43.19,-.53,;43.83,.88,;45.36,.88,;46.14,-.45,;46.13,2.21,;42.69,1.92,;42.69,3.47,;41.34,4.25,;40,3.47,;38.67,4.24,;37.34,3.47,;37.34,1.92,;36,1.15,;36,-.38,;37.33,-1.15,;37.34,-2.68,;36,-3.46,;34.67,-2.69,;34.67,-1.15,;33.34,-.38,;32,-1.15,;30.67,-.38,;32,-2.69,;30.67,-1.9,;38.67,-3.45,;38.27,-1.95,;38.67,-4.98,;40,-5.75,;41.33,-4.98,;42.81,-5.38,;41.32,-6.52,;41.33,-3.44,;40,-2.67,;38.67,1.15,;40,1.92,;41.34,1.15,)|

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(n[nH]c4C(N)=O)-c3n2)c1

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCF)c4-c3n2)C(N)=O)c1

CCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12

COCCn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(C)CC4)nc3-c12

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCCl)c4-c3n2)C(N)=O)c1

CCN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCNCC4)nc3-c12

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CC[N+](C)([O-])CC4)nc3-c12

CN1CCC(CC1)Nc1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1

Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c12

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CC4)C(=O)N4CCNCC4)nc3-c12

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C=C)c4-c3n2)C(N)=O)c1

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(NC5CCNC5)ccc4OC(F)(F)F)nc3-c12

Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCN(CC4)C(=O)OC(C)(C)C)nc3-c12

CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO

CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|

CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O

CCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1 |r|

CCC1N(c2ccn(C)n2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCCO)ncc2N(C)C1=O

CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC1CCCC1 |r|

CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC1CCCC1

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCC(C)C)ncc2N(C)C1=O |r|

CCC1N(c2ccn(C)n2)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2N(C)C1=O

CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(F)ccc12 |r|

CCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r|

CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(F)ccc12

CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC(C)C

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC)ncc2N(C)C1=O |r|

CCCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1 |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC3CCCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)Nc3ccccc3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCCO)ncc2N(C)C1=O |r|

CCC1N(c2ccn(C)n2)c2nc(Nc3ccc(cc3)S(=O)(=O)NC)ncc2N(C)C1=O

CCCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)C(CC)N(c4ccn(C)n4)c3n2)cc1

CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2ccccc12 |r|

CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(N)=O |r|

CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC |r|

CCCNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)C(CC)N(c4ccn(C)n4)c3n2)cc1

CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC

CCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r|

CCCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1 |r|

CCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)C(CC)N(c3ccn(C)n3)c2n1

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCO)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NC(C)C |r|

CCC1N(c2ccn(C)n2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCC(C)C)ncc2N(C)C1=O

CCCCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)C(CC)N(c3ccn(C)n3)c2n1

CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NCC(C)C |r|

CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(=O)NCC(C)C

CCC1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccc2cc(ccc12)C(N)=O

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2N(C)C1=O |r|

CCC1N(c2ccn(C)n2)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCO)ncc2N(C)C1=O

CCNC(=O)c1ccc2n(ccc2c1)-c1ncc2N(C)C(=O)C(CC)N(c3ccn(C)n3)c2n1

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5

Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1

CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C

CC[C@H]1N(C(C)C)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 |r|

OC(=O)c1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cc1

COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1

CN1CCN(CC1)c1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cn1

COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1

CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cc1

O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccccc3)n[nH]c2c1

Oc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3)c2c1

COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3)c2c1

Cc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3)c2c1

Clc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccncc5)n[nH]c4c3)c2c1

COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1

CCc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1

O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3cccnc3)n[nH]c2c1

O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccccn3)n[nH]c2c1

CC(=O)Nc1ccc2\C(=C/c3ccc4cn[nH]c4c3)C(=O)Nc2c1

CC(=O)Nc1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1

Clc1ccc2\C(=C/c3ccc4cn[nH]c4c3)C(=O)Nc2c1

Clc1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1

Fc1ccc2NC(=O)\C(=C/c3ccc4cn[nH]c4c3)c2c1

O=C1Nc2ccccc2\C1=C/c1ccc2cn[nH]c2c1

O=C1Nc2ccccc2\C1=C\c1ccc2[nH]ncc2c1

O=C1Nc2ccccc2C1=Cc1ccc2nn[nH]c2c1 |w:10.12|

Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1

Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1

CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r|

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r|

C[C@@H](OP(O)(O)=O)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[n+](CCCCCNC1=O)cn2CCCCCCCCc1ccccc1)NC(C)=O |r|

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r|

COc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1

OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1

Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3cc(cs3)C)Nc4ccc(cc4OCC)C5CCN(CC5)C)C

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCCC3)ncc2NC1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(C)=O)ncc2N(C)C1=O |r|

CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NCCN3CCN(C)CC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CC3)ncc2N(C)C1=O |r|

CCCCNC(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)c(OCCO)c1 |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NCCN3CCOCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NCCN(C)C)ncc2N(C)C1=O |r|

CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC3CCOCC3)ncc2N(C)C1=O |r|

CCNC(=O)c1cc(OCCO)c(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)cc1F |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NCCN3CCOCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC3CCOCC3)ncc2N(C)C1=O |r|

CCC1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC3CCCC3)ncc2N(C)C1=O

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCCC3)ncc2N(CCO)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3C)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCc3ccccc3)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCOCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC)ncc2N(C)C1=O |r|

CCNC(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)c(OCCO)c1 |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC(C)C)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3O)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3CCO)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(N)=O)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

CCCNC(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](CC)N(C4CCCC4)c3n2)c(OCCO)c1 |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC(C)C)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NCCN3CCN(C)CC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCOCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NC)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OCCO)C(=O)NCCN(C)C)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCCC3)ncc2N(COC)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCOC)C(=O)NC3CCCC3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCCO)C(=O)NC3CCN(CC3)C(C)C)ncc2N(C)C1=O |r|

CC(C)C1=C\C(=N\OC(=O)c2ccccc2C)C(C)=CC1=O |c:19,t:3|

CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12

C[C@@]12CN(Cc3cccc(c3)C#N)C[C@@](C)(C1)c1c(ccc(=O)n1C2)-c1ccc2ccccc2c1 |r|

c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2

COc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1OC

Oc1cc2O[C@@H](CC(=O)c2c(O)c1O)c1ccccc1 |r|

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCc1cn(Cc2ccc(Oc3ccccc3)cc2F)nn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cn(CCCCCCCCc2ccccc2)nn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1C[C@H](CCCCCCCCc2ccccc2)C(=O)NCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O |r|

CCCCCCc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O

CCCCCCCCc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O

CCCCCCCCCCCCc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O

CCCCCCCCc1ccc(cc1)C(=O)Nc1ccc(C)cc1C(O)=O

CCCCCCCCc1ccc(cc1)C(=O)Nc1ccc(OC)cc1C(O)=O

CCCCCCCCc1ccc(cc1)C(=O)Nc1cc(C)ccc1C(O)=O

CCCCCCCCc1ccc(cc1)C(=O)Nc1cccc(F)c1C(O)=O

CCCCCCCCc1ccc(cc1)C(=O)Nc1cc(F)cc(F)c1C(O)=O

CCCCCCCCc1ccc(cc1)C(=O)Nc1cccc(c1C(O)=O)[N+]([O-])=O

CCCCCCCCc1ccc(cc1)C(=O)Nc1cccc(c1C(O)=O)C(F)(F)F

CCCCCCCCc1ccc(cc1)C(=O)Nc1cccc(O)c1C(O)=O

COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1

Cc1[n+](Cc2ccccc2)ccc2c1n(CCCc1ccccc1)c1cc(OCc3ccc(F)cc3)ccc21

CCCCn1c2cc(OCc3ccc(F)cc3)ccc2c2cc[n+](Cc3ccccc3)c(C)c12

Cc1[n+](Cc2ccccc2)ccc2c1n(Cc1ccccc1)c1cc(OCc3ccccc3)ccc21

CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O |r,wU:25.29,22.22,2.1,(14.1,-1.92,;12.77,-2.69,;11.43,-1.92,;10.11,-2.69,;10.11,-4.23,;11.44,-5,;8.77,-5,;8.78,-1.92,;7.45,-2.7,;6.11,-1.93,;4.78,-2.7,;3.44,-1.93,;3.44,-.39,;2.11,.38,;.78,-.39,;.78,-1.93,;2.12,-2.69,;2.12,-4.23,;3.45,-5,;-.55,.38,;-.55,1.92,;-1.89,-.39,;-3.22,.38,;-4.55,-.39,;-5.89,.38,;-5.89,1.92,;-4.55,2.69,;-3.22,1.92,;-7.22,2.69,;-7.22,4.23,;-8.56,5,;-9.89,4.23,;-11.22,5,;-12.56,4.23,;-14.1,4.23,;-13.33,2.9,;-9.89,2.69,;-8.56,1.92,;6.11,-.39,;7.44,.38,;8.78,-.39,;10.1,.38,;10.1,1.92,;11.43,-.38,;12.76,.39,)|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CN4CCNCC4)n3)ncc2N(C)C1=O |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3noc(CN4CCCNCC4)n3)ncc2N(C)C1=O |r|

C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O

Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F

CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O |r,wU:2.1,22.22,wD:25.29,(-16.91,4.13,;-15.37,4.13,;-14.97,2.64,;-13.64,3.41,;-13.64,4.95,;-14.97,5.72,;-12.31,5.72,;-12.31,2.64,;-10.97,3.41,;-9.64,2.64,;-8.31,3.41,;-6.97,2.64,;-5.64,3.41,;-4.3,2.64,;-4.3,1.1,;-5.64,.33,;-6.97,1.1,;-8.31,.33,;-8.31,-1.21,;-3.22,.01,;-3.22,-1.53,;-2.13,1.1,;-.79,.33,;.54,1.1,;1.87,.33,;1.87,-1.21,;.54,-1.98,;-.79,-1.21,;3.21,-1.98,;3.21,-3.52,;4.54,-4.29,;5.88,-3.52,;7.21,-4.29,;8.54,-3.52,;8.94,-2.03,;9.71,-3.37,;5.88,-1.98,;4.54,-1.21,;-9.64,1.1,;-10.97,.33,;-12.31,1.1,;-13.64,.33,;-13.64,-1.21,;-14.97,1.1,;-16.31,.33,)|

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1

O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21

CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC