Compound Name

SMILES String

COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1

CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12

Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|

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

C[C@H](O)CNC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:9|

C[C@@H](O)CNC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:9|

Cc1nnc2[C@@H](CC(=O)NCC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|

Cc1sc-2c(c1C)C(=N[C@H](CC(=O)NCC(F)F)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|

Cc1sc-2c(c1C)C(=N[C@H](CC(=O)NCCC(F)F)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|

Cc1nnc2C(Cc3nnc(o3)C3CC3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:17|

CCOCc1nnc(CC2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)o1 |c:10|

CC(C)c1nnc(CC2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)o1 |c:9|

Cc1nnc2C(Cc3nnc(o3)C(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:17|

Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C

Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)N4CCN(CC4)C

Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(c(c3)F)N4CCN(CC4)C

Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(cc3)N4CCN(CC4)C

Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C

[2H]C([2H])([2H])NS(=O)(=O)c5cnc(N1CCC2(CC1)CC2(F)F)c(c3cn(C)c(=O)c4CC=Cc34)c5

CNS(=O)(=O)c5ccc(N1CCC2(CC1)CC2)c(c3cn(C)c(=O)c4CC=Cc34)c5

[2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)N3CC[C@@H](O)C3)ccc2N2CCC3(CC2)CC3(F)F)c2cc[nH]c2c1=O

Cn5cc(c1cc(S(C)(=O)=O)ccc1N2CCC3(CC2)CC3)c4C=CCc4c5=O

CCS(=O)(=O)c5cnc(N1CCC2(CC1)CC2(F)F)c(c3cn(C)c(=O)c4CC=Cc34)c5

Cn5cc(c1cc(S(C)(=O)=O)ccc1N2CCC3(CC2)CC3(F)F)c4C=CCc4c5=O

CN(C)S(=O)(=O)c5ccc(N1CCC2(CC1)CC2(F)F)c(c3cn(C)c(=O)c4CC=Cc34)c5

[2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)N3CC[C@H](O)C3)cnc2N2CCC3(CC2)CC3)c2cc[nH]c2c1=O

CCS(=O)(=O)Nc5ccc(N1CCC2(CC1)CC2(F)F)c(c3cn(C)c(=O)c4CC=Cc34)c5

CCS(=O)(=O)c5ccc(N1CCC2(CC1)CC2(F)F)c(c3cn(C)c(=O)c4CC=Cc34)c5

CCS(=O)(=O)Nc5ccc(N1CCC2(CC1)CC2)c(c3cn(C)c(=O)c4CC=Cc34)c5

Cn5cc(c1cc(S(C)(=O)=O)c(F)cc1N2CCC3(CC2)CC3(F)F)c4C=CCc4c5=O

[2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)N3CC[C@H](O)C3)ccc2N2CCC3(CC2)CC3(F)F)c2cc[nH]c2c1=O

[2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)N3CC[C@@H](O)C3)cnc2N2CCC3(CC2)CC3)c2cc[nH]c2c1=O

Cn5cc(c1cc(S(N)(=O)=O)c(F)cc1N2CCC3(CC2)CC3(F)F)c4C=CCc4c5=O

[2H]C([2H])([2H])n1cc(-c2cc(S(=O)(=O)C(C)(C)C(=O)O)ccc2N2CCC3(CC2)CC3(F)F)c2cc[nH]c2c1=O

Cn6cc(c2cc(S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)O)ccc2N3CCC4(CC3)CC4(F)F)c5C=CCc5c6=O

CNS(=O)(=O)c5cnc(N1CCC2(CC1)CC2(F)F)c(c3cn(C)c(=O)c4CC=Cc34)c5

Cn5cc(c1cc(S(N)(=O)=O)ccc1N2CCC3(CC2)CC3(F)F)c4C=CCc4c5=O

CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|

CCn1c(N)cc(=O)[nH]c1=O

CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(O)cc1)C3 |c:5|

CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CC=C)C3 |c:5|

CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(Cc1ccccc1)C3 |c:5|

CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(OC)cc1)C3 |c:5|

COc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C |t:10|

Cn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:4|

CCCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:6|

Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)n(C)c(=O)n2C |t:9|

COc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)n(C)c(=O)n2C |t:10|

CCn1c2NC3=C(C(c4ccc(cc4)C(F)(F)F)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|

Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1 |t:9|

CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)CC3 |c:5|

CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(C)C3 |c:5|

CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)n(C)c1=O)C(=O)OC3 |c:5|

CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccccc1)C3 |c:5|

CON\C=N\c1nc2nccc(-c3cccnc3)n2n1

C\N=c1/[nH]c2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(F)cc1

O=c1[nH]c(=O)c2c(ccnc2n1CC1CCCO1)-c1ccco1

OCC\N=c1\[nH]c2[nH]c(=O)[nH]c(=O)c2n1Cc1cccc2ccccc12

CCn1c2ccc(C=O)cc2n(CC)c1=O

CCCN1C(c2c(C)[nH]cc2C1=O)c1cc(OC)ccc1OC

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

CCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|

CCn1c2NC3=C(C(c4ccc(Cl)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|

Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2CC(F)(F)F |t:9|

CCn1c2nc3COC(=O)c3c(-c3ccc(C)cc3)c2c(=O)[nH]c1=O

CN1c2ccc(Cl)cc2\C(=N/CCC1=O)c1ccc(Cl)cc1 |c:10|

CCC1(C)Cc2ccccc2-c2ncnc(O)c12

CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)Oc4ccc(cc4F)F

Cc1cc(cc(c1O)C)C2=Nc3c(c4c(s3)CN(CC4)C)C(=O)N2

Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:14|

Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1

Cc1[nH]c(c2CCNC(=O)c12)-c1cc(ccc1Oc1ccc(F)cc1F)S(C)(=O)=O

Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)|

Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O

Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O

Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)|

CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1

CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)-c1cnc(nc1)C(N)=O)C1CC1 |r|

CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)C5=CCNCC5

Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccc(F)cc1F

Cn1cc2CN(c3ccc(F)cc3)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23

Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1

COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC(C)C)N(C3CCOCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|

COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|

COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C(C)C)c2n1)C(=O)NC1CCN(C)CC1 |r|

COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCN(C)C |r|

C[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

COc1cc(ccc1Nc1ncc2N(C)C(=O)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCNCC1 |r|

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

COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCc1ccccc1 |r|

COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|

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

COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|

COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCCCC1 |r|

COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1=CCN(C)C=C1 |r,c:39,t:34|

COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)N1CCCCC1 |r|

C[C@@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

COC(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3n2)c(OC2CCCC2)c1 |r|

CCC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3N(C)C(=O)CN(C4CCCC4)c3n2)c(OC2CCCC2)c1

CN1C=C(C=CC1=O)c2ccc3c(c2)c(nc(n3)N4CCN(CC4)CCN(C)C)NCc5cccc(c5)Cl

Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cc(F)cc(F)c2)n1

Cc1nnn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1

Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1

Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1C

Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1

Cc1ccc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1C

Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1

Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1

Cc1cc(C)cc(Nc2nccc(n2)-c2c(CO)nnn2C2CCNCC2)c1

CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1

Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|

CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCCCC(=O)NO)c(C)c1

CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cc(cc4C)F)C)C(C)(C)O)C

COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1

Cc1nnc2CC[C@@H](Nc3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cnn(C)c1 |r|

CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O

COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCCCC2)c(C)c1 |r|

COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCN(C)CC2)c(C)c1 |r|

Cc1cc(cc(c1OC[C@@H](CN2CCN(CC2)C)O)C)C3=CC(=O)c4c(cc(cc4OC)OC)O3

COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCCC2)c(C)c1 |r|

COC(=O)N1CCSC(CC1)c1cccs1

C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)OC)C

CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O

CNC(=O)c1ccc(=O)n(Cc2cc(Br)ccc2F)c1

CNC(=O)c1ccc(=O)n(Cc2ccccc2)c1

CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2

CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3

CNC(=O)C1=CC(=CN(C1=O)Cc2cccc3c2cc[nH]3)C(=O)NC4CC4

COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)|

COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)|

COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)|

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)NCCCCNC(=O)COc1cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c13)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1

Cc1noc(C)c1-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccccc3)c2c1)-c1cnn(CC(C)(C)O)c1 |r|

C[C@@H](c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O

C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|

CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)|

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|

CN1CC[C@@H](Nc2ncc(-c3ccco3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)C(=O)NC1CCCCC1

CNC(=O)c1cc(cc(n1)C(O)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|

CCNC(=O)c1ccc(OCc2cccc(C)n2)c(c1)-c1cn(C)nn1

CCNC(=O)c1cc(Cc2cccc3[nH]ccc23)nc(c1)-c1cn(C)nn1

C[C@@H](c1ccccc1)n2c(cc(n2)C(=O)NC)C(=O)NC3CCC(CC3)O

C[C@@H](c1ccccc1)c2c(cc(o2)C(=O)NC)C(=O)NC3CCC(CC3)O

[H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|

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,)|

CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5

CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C

CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C

CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O

CN(C)CCN1CCC(CC1)n1nnc(C)c1-c1cccc(Oc2cc(C)cc(C)c2)n1

c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCC[C@H]3CN4CCOCC4

OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|

Cc1nnc2n1nc(cc2NC3CCN(CC3)CC(C)(C)F)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4[C@H](NC5=O)C(C)C

CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|

COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

CN1C=C(c2ccccc2C1=O)c3cccc(c3)N4CCCC4=O

CCS(=O)(=O)Nc1cccc(c1)C2=CN(C(=O)c3c2cccc3)C

CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cccc3)C)Oc4ccc(cc4)Cl

CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cccc3)C)OCCOCCOCCOCCOc4ccc(cc4C5=CN(C(=O)c6c5cccc6)C)NS(=O)(=O)CC

Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)COCCOCCOCC(=O)N5CCC(CC5)NC(=O)c6ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C(C)(C)C)Cl)C

Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)COCCOCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1

Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)CCOCCOCCOCCOCCC(=O)N5CCC(CC5)NC(=O)c6ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C(C)(C)C)Cl)C

Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)CCOCCOCCOCCOCCOCCC(=O)N5CCC(CC5)NC(=O)c6ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C(C)(C)C)Cl)C

Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)CCOCCOCCOCCNC(=O)c5cc(cc(c5)NS(=O)(=O)C(C)(C)C)Nc6c(cnc(n6)Nc7ccc(c(c7)F)C(=O)NC8CCNCC8)C

CO[C@H]1CC[C@@H](CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1 |r,wU:24.27,5.8,wD:2.1,(-5.83,-7.85,;-6.97,-6.82,;-6.65,-5.31,;-5.19,-4.84,;-4.87,-3.33,;-6.01,-2.3,;-7.48,-2.77,;-7.8,-4.28,;-5.69,-.79,;-4.29,-.17,;-4.45,1.37,;-5.95,1.69,;-6.72,3.02,;-8.26,3.02,;-9.03,1.69,;-8.26,.35,;-6.72,.35,;-9.03,4.35,;-8.41,5.76,;-6.9,6.08,;-9.55,6.79,;-10.89,6.02,;-10.57,4.51,;-11.6,3.37,;-2.95,-.94,;-2.95,-2.48,;-1.62,-3.25,;-.29,-2.48,;-.29,-.94,;1.05,-.17,;-1.62,-.17,;-1.62,1.37,;-.29,2.14,;-.29,3.68,;-1.62,4.45,;-1.62,5.99,;-2.95,3.68,;-4.29,4.45,;-2.95,2.14,)|

C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)C(=O)N)Nc3ncc(cn3)Cl

CN1C=C(C2C=CNC2C1=O)c1ccc2ccn(Cc3ccccn3)c2c1 |c:2,5|

Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCCC1)C(C)(C)O

Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCCCC1)C(C)(C)O

O=c1cc(oc2c(cccc12)-c1cccc2sc3ccccc3c12)N1CCOCC1

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

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

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

CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|

O=NC1Cc2c\c(ccc2=C1)=c1\nc([nH]c1=C1C=CNC=C1)C1CCNCC1 |c:10,20,23,(6.28,5.29,;6.28,3.75,;4.95,2.98,;4.78,1.45,;3.28,1.13,;2.51,-.21,;.97,-.21,;.2,1.13,;.97,2.46,;2.51,2.46,;3.54,3.61,;.2,-1.54,;-1.34,-1.54,;-1.82,-3,;-.57,-3.91,;.67,-3,;2.16,-3.4,;3.25,-2.31,;4.74,-2.71,;5.14,-4.2,;4.05,-5.29,;2.56,-4.89,;-3.3,-3.4,;-3.7,-4.89,;-5.19,-5.29,;-6.28,-4.2,;-5.88,-2.71,;-4.39,-2.31,)|

c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O

CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C

c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O

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

COc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1

COc1cc(ccc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(C)(C)O

COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O

C\C=C\Cn1cc(-c2ccc(cc2)C(=O)N2CCOCC2)c2cc[nH]c2c1=O

COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12

[H][C@@]12C[C@]3([H])[C@]([H])(CC[C@@]4(COC(C)=O)[C@@]3(O)CC[C@@]4(O)[C@@](C)(O)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@@]3(C)C(=O)C=CC[C@@]13O2 |r,c:41,t:30|

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(NCCCCCCC(=O)NO)c21 |(3.05,-2.83,;3.05,-4.37,;1.72,-5.15,;.38,-4.38,;-.95,-5.15,;-.95,-6.69,;.38,-7.46,;1.72,-6.69,;3.05,-7.46,;3.19,-8.98,;2.04,-10,;4.7,-9.31,;5.48,-7.97,;4.44,-6.82,;4.76,-5.31,;-2.41,-7.16,;-3.32,-5.92,;-4.85,-5.76,;-5.48,-4.35,;-4.57,-3.1,;-3.04,-3.26,;-2.14,-2.02,;-2.76,-.61,;-1.86,.64,;-2.49,2.04,;-1.59,3.29,;-2.21,4.7,;-1.31,5.94,;-1.94,7.35,;-3.47,7.51,;-1.03,8.6,;-1.66,10,;-2.41,-4.67,)|

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(NCCCCCCC(=O)NO)c21 |(3.82,-2.83,;3.82,-4.37,;2.48,-5.15,;1.15,-4.38,;-.18,-5.15,;-.18,-6.69,;1.15,-7.46,;2.48,-6.69,;3.82,-7.46,;3.96,-8.98,;2.8,-10,;5.47,-9.31,;6.24,-7.97,;5.21,-6.82,;5.52,-5.31,;-1.65,-7.16,;-2.55,-5.92,;-4.08,-5.76,;-4.71,-4.35,;-6.24,-4.19,;-3.81,-3.1,;-2.27,-3.26,;-1.37,-2.02,;-2,-.61,;-1.1,.64,;-1.72,2.04,;-.82,3.29,;-1.45,4.7,;-.54,5.94,;-1.17,7.35,;-2.7,7.51,;-.27,8.6,;-.9,10,;-1.65,-4.67,)|

CCC(C)n1ccc2c(cc(cc12)-c1cn(C)c(=O)c2[nH]ccc12)C(=O)NCc1c(C)cc(C)[nH]c1=O

CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCC(=O)OCc2c(no[n+]2[O-])-c2ccccc2)c(C)c1

Cc1[nH]c(c2CCCCC(=O)c12)-c1cc(N)ccc1Cl

CCCc1[nH]c(c2CCCCC(=O)c12)-c1cc(N)ccc1Cl

CCCCc1[nH]c(c2CCCCC(=O)c12)-c1cc(N)ccc1Cl

CN1CCC(CC1)NC(=O)c1cccc(Cn2c3cccc4c3c(cc3ccccc23)n(C)c4=O)c1

Cc1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(=O)c1n23)C(=O)c1cccc2ccccc12

Cc1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(=O)c1n23)C(=O)c1ccc2ccccc2c1

Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(CF)sc3-n12)c1ccc(Cl)cc1 |r,c:14|

Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(sc3-n12)C(F)F)c1ccc(Cl)cc1 |r,c:14|

Cc1cc(cn(C)c1=O)-c1cc2OCCn3c2c(c1)n(Cc1ccccc1)c3=O

Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCNC(=O)/C=C/c1cccnc1)c1nnc(C)n1-2

Cc1nn(CC2CC2)c(C)c1-c1cncc(-c2ccnc3nc[nH]c23)c1

CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CCNCC6)C

COc1ccc2c(c1)nc(NCCCCNC(=O)CC(C)C)c1nnc(C)n21

C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3cccc(CS(C)(=O)=O)c3)c2o1

C[C@@H]1CN(S(C)(=O)=O)CCN1Cc1cc2c(=O)n(C)cc(-c3ccccc3OCC3CC3)c2o1

C[C@@H]1CN(CCN1Cc2cc3c(o2)C(=CN(C3=O)C)c4ccn(n4)C)S(=O)(=O)C

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

C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|

Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12

COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12

Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|

Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|

CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|

CCCCc1c(nc2nc(nn2c1C)SCc3nc4c(n3CC)C(=O)NC(=O)N4CCCC)C

CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl

CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O

CCn1c(CSc2n[nH]c(N)n2)nc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12

O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1