Compound Name

SMILES String

O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)C1CCC(=O)NC1=O

O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCC(=O)NC1=O |r|

c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)[C@H]5CCC(=O)NC5=O

Cc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O

O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12

Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O

O=C1N(Cc2c1cccc2OCc1ccc(OCCN2CCCC2)cc1)C1CCC(=O)NC1=O |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|

O=C1N(Cc2c1cccc2OCc1ccc(OCCN2CCOCC2)cc1)C1CCC(=O)NC1=O |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|

O=C1N(Cc2c1cccc2OCc1ccc(CCN2CCOCC2)cc1)C1CCC(=O)NC1=O

COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OCCOCCOCC(O)=O)c1

Cc1ccc(C)c(c1)N1CCCc2nc3cc(C)c(cn3c12)-c1ccc(CO)nc1

Cc1cc2nc3CCCN(c3n2cc1-c1ccc(CO)nc1)c1ccccc1OC(F)F

Cc1ccc(C)c(c1)N1CCCc2nc3cc(C)c(cn3c12)-c1cnn(C)c1

Cc1cc2nc3CCCN(c3n2cc1-c1cnn(C)c1)c1ccccc1OC(F)F

Cc1ccc(C)c(c1)N1CCCc2nc3ccc(cn3c12)-c1ccc(CO)nc1

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1OC(F)F

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cc(C)ccc1OC

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1nccc2ccccc12

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1C

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1OC(F)(F)F

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cc(ccc1C)C(F)(F)F

CC1CCN(c2c1nc1ccc(cn21)-c1cnn(C)c1)c1cc(C)ccc1C

Cn1cc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1OC(F)F

Cc1ccc(C)c(c1)N1CCCc2nc3ccc(cn3c12)-c1cnc(nc1)N1CCOCC1

FC(F)Oc1ccccc1N1CCCc2nc3ccc(cn3c12)-c1cnc(nc1)N1CCOCC1

Cc1nnc(o1)-c1ccc(cc1)-c1ccc2nc3CCCN(c3n2c1)c1cc(C)ccc1C

Cc1nnc(o1)-c1ccc(cc1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1OC(F)F

Cc1ccc(C)c(c1)N1CCCc2nc3ccc(cn3c12)-c1cnc(nc1)C(C)(C)O

Cc1ccc(OC(F)F)c(c1)N1CCCc2nc3ccc(cn3c12)-c1cnc(nc1)N1CCOCC1

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cc(C)ccc1OC(F)F

CC(C)(O)c1ncc(cn1)-c1cn2c3N(CCCc3nc2cc1Cl)c1ccccc1

COc1ccc(cn1)-c1cn2c3N(CCCc3nc2cc1Cl)c1ccccc1OC(F)F

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cc(C)ccc1C

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cccc(C)c1C

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cc(F)ccc1C

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccc(F)cc1C

CCc1ccccc1N1CCCc2nc3ccc(cn3c12)-c1ccc(OC)nc1

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccc(C)cc1C

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1Cl

COc1ccc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1cc(Cl)ccc1C

CC(C)(O)c1ncc(cn1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1OC(F)(F)F

CC(C)(O)c1ccc(cc1)-c1ccc2nc3CCCN(c3n2c1)c1ccccc1OC(F)F

Cc1ccc(C)c(c1)N1CCCc2nc3ccc(cn3c12)-c1ccc(cc1)C(C)(C)O

CC1CCN(c2c1nc1ccc(cn21)-c1ccc(CO)nc1)c1cc(C)ccc1C

CC1CCN(c2c1nc1ccc(cn21)-c1ccc(CO)nc1)c1ccccc1OC(F)(F)F

CC1CCN(c2c1nc1ccc(cn21)-c1cnn(C)c1)c1ccccc1OC(F)F

Cc1ccc(C)c(c1)N1CCCc2nc3c(C)c(C)c(cn3c12)-c1cnc(nc1)N1CCOCC1

CNC(=O)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1

O=C(N1CCOCC1)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1

CN1CCN(CC1)C(=O)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1

O=C(N1CCCCC1)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1

OC1CCN(CC1)C(=O)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1

CC1(O)CCN(CC1)C(=O)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1

COC1CCN(CC1)C(=O)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1

CN(C)C1CCN(CC1)C(=O)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1

CC(=O)N1CCN(CC1)C(=O)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1

CC(=O)NC1CCN(CC1)C(=O)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1

O=C1N(Cc2ccc(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1

Cc1ccncc1-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1

O=C1N(Cc2ccc(cc12)-c1cncnc1)c1cccc(n1)-c1nncn1C1CC1

Cc1ncc(cn1)-c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1

O=C1N(Cc2ccc(cc12)-c1ccc(nc1)C1CC1)c1cccc(n1)-c1nncn1C1CC1

O=C1N(Cc2ccc(cc12)-c1cnc(cn1)C1CC1)c1cccc(n1)-c1nncn1C1CC1

COc1cc2CN(C(=O)c2cc1-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1

CC(C)Oc1cc2CN(C(=O)c2cc1-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1

O=C1N(Cc2cc(OC3CCCC3)c(cc12)-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1

O=C(N1CCCC1)c1cc2CN(C(=O)c2cc1-c1cccnc1)c1cccc(n1)-c1nncn1C1CC1

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)O)cccc12)N1CCOCC1

COC1CCN(Cc2cccc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(C)(=O)=O)c2)CC1

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CCCCC3)cccc12)N1CCOCC1

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CCCCC3)cc(F)cc12)N1CCOCC1

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CCCC3)cc(F)cc12)N1CCOCC1

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)C(C)(C)O)cc(F)cc12)N1CCOCC1

COc1ncc(cc1NS(C)(=O)=O)-c1nc(N2CCOCC2)c2sc(C)c(CN3CCC(CC3)N(C)C(C)C)c2n1

COc1ncc(cc1NS(C)(=O)=O)-c1nc(N2CCOCC2)c2nc(OC3CCN(CC3)C3COC3)n(C)c2n1

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(CC3)N3CCCCC3=O)cc(F)cc12)N1CCOCC1

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CC(C3)C(C)(C)O)cc(F)cc12)N1CCOCC1

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(O[C@@H]3CCOC3)cc(F)cc12)N1CCOCC1 |r|

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(OCCN3CCCCC3)cc(F)cc12)N1CCOCC1

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(OC3CCC(CC3)N3CCCCC3)cc(F)cc12)N1CCOCC1 |(-6.45,-7.86,;-5.11,-8.63,;-5.11,-10.17,;-6.45,-10.94,;-6.45,-12.48,;-5.11,-13.25,;-3.78,-12.48,;-3.73,-10.92,;-2.4,-10.15,;-1.06,-10.92,;.27,-11.69,;-1.83,-12.25,;-.3,-9.58,;-5.11,-14.79,;-3.78,-15.56,;-3.78,-17.1,;-5.11,-17.87,;-6.45,-17.1,;-7.78,-17.87,;-7.78,-19.41,;-8.87,-20.5,;-10.36,-20.1,;-11.45,-21.19,;-11.05,-22.68,;-9.56,-23.08,;-8.47,-21.99,;-12.14,-23.77,;-13.62,-23.37,;-14.71,-24.46,;-14.31,-25.95,;-12.83,-26.35,;-11.74,-25.26,;-9.11,-17.1,;-9.11,-15.56,;-10.45,-14.79,;-7.78,-14.79,;-6.45,-15.56,;-2.45,-17.87,;-2.45,-19.41,;-1.11,-20.18,;.22,-19.41,;.22,-17.87,;-1.11,-17.1,)|

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(O[C@H]3CCC(CC3)N3CCCCC3)cc(F)cc12)N1CCOCC1 |r,wU:20.20,(-6.45,-7.86,;-5.11,-8.63,;-5.11,-10.17,;-6.45,-10.94,;-6.45,-12.48,;-5.11,-13.25,;-3.78,-12.48,;-3.73,-10.92,;-2.4,-10.15,;-1.06,-10.92,;.27,-11.69,;-1.83,-12.25,;-.3,-9.58,;-5.11,-14.79,;-3.78,-15.56,;-3.78,-17.1,;-5.11,-17.87,;-6.45,-17.1,;-7.78,-17.87,;-7.78,-19.41,;-8.87,-20.5,;-8.47,-21.99,;-9.56,-23.08,;-11.05,-22.68,;-11.45,-21.19,;-10.36,-20.1,;-12.14,-23.77,;-13.62,-23.37,;-14.71,-24.46,;-14.31,-25.95,;-12.83,-26.35,;-11.74,-25.26,;-9.11,-17.1,;-9.11,-15.56,;-10.45,-14.79,;-7.78,-14.79,;-6.45,-15.56,;-2.45,-17.87,;-2.45,-19.41,;-1.11,-20.18,;.22,-19.41,;.22,-17.87,;-1.11,-17.1,)|

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(O[C@H]3CCC(CC3)N3CCCCC3)cc(F)cc12)N1CCOCC1 |r,wD:20.20,(-6.45,-7.86,;-5.11,-8.63,;-5.11,-10.17,;-6.45,-10.94,;-6.45,-12.48,;-5.11,-13.25,;-3.78,-12.48,;-3.73,-10.92,;-2.4,-10.15,;-1.06,-10.92,;.27,-11.69,;-1.83,-12.25,;-.3,-9.58,;-5.11,-14.79,;-3.78,-15.56,;-3.78,-17.1,;-5.11,-17.87,;-6.45,-17.1,;-7.78,-17.87,;-7.78,-19.41,;-8.87,-20.5,;-10.36,-20.1,;-11.45,-21.19,;-11.05,-22.68,;-9.56,-23.08,;-8.47,-21.99,;-12.14,-23.77,;-13.62,-23.37,;-14.71,-24.46,;-14.31,-25.95,;-12.83,-26.35,;-11.74,-25.26,;-9.11,-17.1,;-9.11,-15.56,;-10.45,-14.79,;-7.78,-14.79,;-6.45,-15.56,;-2.45,-17.87,;-2.45,-19.41,;-1.11,-20.18,;.22,-19.41,;.22,-17.87,;-1.11,-17.1,)|

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(OC3CN(C3)C3CCOCC3)cc(F)cc12)N1CCOCC1

COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(OC3CN(C3)C(=O)C(C)C)cc(F)cc12)N1CCOCC1

CN(C)C(=O)c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(O)CC(c4ccccc4C(F)(F)F)n3c2n1 |w:19.20,16.17|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(O)CC(c4ccccc4OC(F)F)n3c2n1 |w:19.20,16.17|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(O)CC(c4c(F)cccc4C(F)(F)F)n3c2n1 |w:19.20,16.17|

Cc1ccc(C)c(c1)C1CC(O)c2nc3ccc(nc3n12)-c1ccc(cc1)C(C)(C)O |w:8.8,10.11|

Cc1ccc(C)c(c1)C1CC(O)c2nc3ccc(nc3n12)-c1cnc(nc1)C(C)(C)O |w:8.8,10.11|

Cc1ccc(C)c(c1)C1CC(O)c2nc3ccc(nc3n12)-c1cnc(nc1)N1CCOCC1 |w:8.8,10.11|

Cc1ccc(cc1C1CC(O)c2nc3ccc(nc3n12)-c1ccc(cc1)C(C)(C)O)C(F)(F)F |w:7.7,9.10|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(O)CC(c4cc(ccc4C(F)(F)F)C(F)(F)F)n3c2n1 |w:19.20,16.17|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(O)CC(c4ccccc4C4CC4)n3c2n1 |w:19.20,16.17|

OC1CC(c2ccccc2OC(F)F)n2c1nc1ccc(nc21)-c1cnc(nc1)N1CCOCC1 |w:3.3,1.0|

CC(C)(O)c1ncc(cn1)-c1ccc2nc3C(O)CC(c4ccccc4OC(F)F)n3c2n1 |w:19.20,16.17|

COc1ccccc1C1CC(O)c2nc3ccc(nc3n12)-c1ccc(cc1)C(C)(C)O |w:8.8,10.11|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(O)CC(c4cc(F)ccc4C(F)(F)F)n3c2n1 |w:19.20,16.17|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(F)CC(c4ccccc4C(F)(F)F)n3c2n1 |w:16.17,19.20|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(F)CC(c4ccccc4OC(F)F)n3c2n1 |w:19.20,16.17|

CC(C)(O)c1ncc(cn1)-c1ccc2nc3C(F)CC(c4ccccc4OC(F)F)n3c2n1 |w:19.20,16.17|

FC(F)Oc1ccccc1C1CC(F)c2nc3ccc(nc3n12)-c1cnc(nc1)N1CCOCC1 |w:10.10,12.13|

OCc1ccc(cn1)-c1ccc2nc3C(F)CC(c4ccccc4OC(F)F)n3c2n1 |w:17.18,14.15|

Cn1cc(cn1)-c1ccc2nc3C(F)CC(c4ccccc4OC(F)F)n3c2n1 |w:15.16,12.13|

Cc1ccc(C)c(c1)C1CC(F)c2nc3ccc(nc3n12)-c1cnc(nc1)C(C)(C)O |w:8.8,10.11|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(F)CC(c4ccccc4C4CC4)n3c2n1 |w:19.20,16.17|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(F)CC(c4ccccc4OC(F)(F)F)n3c2n1 |w:19.20,16.17|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(F)CC(c4c(F)cccc4C(F)(F)F)n3c2n1 |w:19.20,16.17|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(F)CC(c4cc(F)ccc4C(F)(F)F)n3c2n1 |w:19.20,16.17|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3CCC(c4ccccc4C(F)(F)F)n3c2n1 |w:18.19|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3CCC(c4ccccc4OC(F)F)n3c2n1 |w:18.19|

CC(C)(O)c1ncc(cn1)-c1ccc2nc3CCC(c4ccccc4OC(F)F)n3c2n1 |w:18.19|

FC(F)Oc1ccccc1C1CCc2nc3ccc(nc3n12)-c1cnc(nc1)N1CCOCC1 |w:10.10|

OCc1ccc(cn1)-c1ccc2nc3CCC(c4ccccc4OC(F)F)n3c2n1 |w:16.17|

Cn1cc(cn1)-c1ccc2nc3CCC(c4ccccc4OC(F)F)n3c2n1 |w:14.15|

COc1ccccc1C1CCc2nc3ccc(nc3n12)-c1ccc(cc1)C(C)(C)O |w:8.8|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3CCC(c4c(F)cccc4C(F)(F)F)n3c2n1 |w:18.19|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3CCC(c4ccccc4C4CC4)n3c2n1 |w:18.19|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3CCC(c4cc(F)ccc4C(F)(F)F)n3c2n1 |w:18.19|

COc1ccccc1C1CCc2nc3ccc(nc3n12)-c1cnc(nc1)N1CCN(CC(O)=O)CC1 |w:8.8|

Cc1ccc(c(c1)C1CCc2nc3ccc(nc3n12)-c1cnc(nc1)C(C)(C)O)C(F)(F)F

Cc1ccc(C)c(c1)C1CCc2nc3ccc(nc3n12)-c1ccc(cc1)C(C)(C)O

CN1CCN(CC1)c1ccc(cc1)-c1ccc2nc3CCC(c4cc(C)ccc4C)n3c2n1

Cc1ccc(C)c(c1)C1CCc2nc3ccc(nc3n12)-c1ccc(CO)nc1

Cc1ccc(C)c(c1)C1CCc2nc3ccc(nc3n12)-c1cnn(C)c1

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O

CC(C)[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F

CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cc(F)cc(F)c1 |r|

CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cccc(Cl)c1 |r|

COc1ccc(cn1)-c1ccc2nc3CCNC(c3n2n1)c1ccccc1OC(F)F

CC(C)(O)c1ccc(cc1)-c1ccc2nc3CCNC(c3n2n1)c1ccccc1OC(F)F

CC(C)(O)c1ncc(cn1)-c1ccc2nc3CCNC(c3n2n1)c1ccccc1OC(F)F

CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](F)CN[C@H](c3n2n1)c1ccccc1OC(F)F |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(F)CNC(c3n2n1)c1ccccc1OC(F)F

CC(C)(O)c1ncc(cn1)-c1ccc2nc3C(F)CNC(c3n2n1)c1ccccc1OC(F)F

COc1ccc(cn1)-c1ccc2nc3C(F)CNC(c3n2n1)c1ccccc1OC(F)F

CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@H](F)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

CC(=O)c1ccc(cn1)-c1ccc2nc3[C@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F |r|

CC(C)(O)c1ncc(cn1)-c1ccc2nc3C(O)CNC(c3n2n1)c1ccccc1OC(F)F

OC1CNC(c2c1nc1ccc(nn21)-c1ccc(cc1)C(=O)N1CC(C1)C(O)=O)c1ccccc1OC(F)F

OC1CNC(c2c1nc1ccc(nn21)-c1ccc(cc1)C(=O)N1CCOCC1)c1ccccc1OC(F)F

OC1CNC(c2c1nc1ccc(nn21)-c1ccc(cc1)C(=O)NC1CC1)c1ccccc1OC(F)F

OC1CNC(c2c1nc1ccc(nn21)-c1ccc(nc1)C(=O)NC1CC1)c1ccccc1OC(F)F

OC1CNC(c2c1nc1ccc(nn21)-c1cnc(nc1)N1CCN(CC(O)=O)CC1)c1ccccc1OC(F)F

COc1cc(F)ccc1C1NCC(O)c2nc3ccc(nn3c12)-c1ccc(cc1)C(C)(C)O

CCOc1ccccc1[C@H]1NC[C@@H](O)c2nc3ccc(nn3c12)-c1cnc(nc1)C(C)(C)O |r|

COc1cc(F)ccc1[C@@H]1NC[C@H](O)c2nc3ccc(nn3c12)-c1ccc(cc1)C(C)(C)O |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(O)CNC(c3n2n1)c1ccccc1OC(F)(F)F

CC(C)Oc1ccc(cc1)-c1ccc2nc3[C@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@H](O)CN[C@H](c3n2n1)c1cc(Cl)ccc1OC(F)F |r|

CC(C)(C)COc1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

COc1cc(ccc1OCC(C)(C)C)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

CCC(=O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

CC(C)Oc1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

CCCOc1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

CCCOc1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F |r|

CCOC(C)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

O[C@H]1CN[C@@H](c2c1nc1ccc(nn21)-c1ccc(cc1)C1(O)CC1)c1ccccc1OC(F)F |r|

COc1ccccc1COc1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

Cc1cc(F)ccc1[C@@H]1NC[C@@H](O)c2nc3ccc(nn3c12)-c1ccc(cc1)C(C)(C)O |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccc(F)cc1C(F)(F)F |r|

CNS(=O)(=O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

CS(=O)(=O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

Cc1cc(F)ccc1[C@H]1NC[C@H](O)c2nc3ccc(nn3c12)-c1ccc(cc1)C(C)(C)O |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@H](O)CN[C@H](c3n2n1)c1ccc(F)cc1C(F)(F)F |r|

O[C@H]1CN[C@@H](c2c1nc1ccc(nn21)-c1ccc(cc1)N1CCOCC1)c1ccccc1OC(F)F |r|

NS(=O)(=O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

O[C@H]1CN[C@@H](c2c1nc1ccc(nn21)-c1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1ccccc1OC(F)F |r|

NC(=O)c1ccc(cc1Cl)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

CCC(O)(CC)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

CCC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

COc1ccc(cn1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1ccccc1OC(F)F |r|

CC(C)(O)COc1ccc(cc1)-c1ccc2nc3[C@H](O)CN[C@H](c3n2n1)c1ccccc1OC(F)F |r|

Cc1ccc(C)c(c1)[C@H]1NC[C@H](O)c2nc3ccc(nn3c12)-c1ccc(cc1)C(C)(C)O |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1cc(Cl)ccc1OC(F)F |r|

CCC(O)(CC)c1ccc(cc1Cl)-c1ccc2nc3[C@@H](O)CN[C@@H](c3n2n1)c1cc(Cl)ccc1C(F)(F)F |r|

COc1ccc(Cl)cc1[C@H]1NC[C@H](O)c2nc3ccc(nn3c12)-c1ccc(cc1)C(C)(C)O |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@H](O)CO[C@H](c3n2n1)c1ccccc1OC(F)F |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3[C@@H](O)CO[C@H](c3n2n1)c1ccccc1OC(F)F |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3c(C(OCC3(C)O)c3ccccc3OC(F)F)n2n1

CC(C)(O)c1ccc(cc1)-c1ccc2nc3c(C(OCC3(O)c3ccncc3)c3ccccc3OC(F)F)n2n1

CC(C)(O)c1ncc(cn1)-c1ccc2nc3[C@@H](O)CO[C@H](c3n2n1)c1ccccc1OC(F)F |r|

CC(C)(O)c1ccc(cc1)-c1ccc2nc3CCOC(c3n2n1)c1ccccc1OC(F)F

CC(C)(O)c1ncc(cn1)-c1ccc2nc3CCOC(c3n2n1)c1ccccc1OC(F)F

Cn1cc(cn1)-c1ccc2nc3CCOC(c3n2n1)c1ccccc1OC(F)F

CC(C)(O)c1ncc(cn1)-c1cc2n3C(C4CC4c3nc2cc1F)c1ccccc1OC(F)F

CC(C)(O)c1ncc(cn1)-c1cc2n3[C@H]([C@H]4C[C@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

CC(C)(O)c1ncc(cn1)-c1cc2n3[C@@H]([C@@H]4C[C@@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

CN1CCN(CC1)c1ncc(cn1)-c1cc2n3[C@H]([C@H]4C[C@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

NS(=O)(=O)c1ccc(cc1)-c1cc2n3[C@H]([C@H]4C[C@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

FC(F)Oc1ccccc1[C@H]1[C@H]2C[C@H]2c2nc3cc(F)c(cc3n12)-c1cnc(nc1)N1CCOCC1 |r|

NC(=O)c1ccc(cn1)-c1cc2n3[C@H]([C@H]4C[C@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

CNC(=O)c1ccc(cn1)-c1cc2n3[C@H]([C@H]4C[C@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

FC(F)Oc1ccccc1[C@H]1[C@H]2C[C@H]2c2nc3cc(F)c(cc3n12)-c1cnc(nc1)N1CCNC(=O)C1 |r|

FC(F)Oc1ccccc1[C@H]1[C@H]2C[C@H]2c2nc3cc(F)c(cc3n12)-c1ccc(nc1)C#N |r|

FC(F)Oc1ccccc1[C@H]1[C@H]2C[C@H]2c2nc3cc(F)c(Br)cc3n12 |r|

CC(C)(O)c1ccc(cc1)-c1cc2n3[C@H]([C@H]4C[C@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

CC(C)(O)c1ccc(cn1)-c1cc2n3[C@H]([C@H]4C[C@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

OC1(COC1)c1ncc(cn1)-c1cc2n3[C@H]([C@H]4C[C@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

FC(F)Oc1ccccc1[C@H]1[C@H]2C[C@H]2c2nc3cc(F)c(cc3n12)-c1cnc(nc1)N1CCS(=O)(=O)CC1 |r|

CC(C)(O)Cn1cc(cn1)-c1cc2n3[C@H]([C@H]4C[C@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

CC(C)(C)OC(=O)N1CCC(=CC1)c1cc2n3[C@H]([C@H]4C[C@H]4c3nc2cc1F)c1ccccc1OC(F)F |r,c:10|

CN1CCN(CC1)c1ncc(cn1)-c1cc2n3[C@@H]([C@@H]4C[C@@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

NC(=O)c1ccc(cn1)-c1cc2n3[C@@H]([C@@H]4C[C@@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

CC(C)(O)c1ncc(cn1)-c1cc2n3[C@H]([C@@H]4C[C@@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

NC(=O)c1ccc(cn1)-c1cc2n3[C@H]([C@@H]4C[C@@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

CC(C)(O)c1ncc(cn1)-c1cc2n3[C@H]([C@@H]4C[C@@H]4c3nc2cc1F)c1ccccc1Oc1ccccc1 |r|

CC(C)(O)c1ncc(cn1)-c1cc2n3[C@H]([C@H]4C[C@H]4c3nc2cc1F)c1ccccc1Oc1ccccc1 |r|

CC(C)(O)c1ncc(cn1)-c1cc2n3[C@H]([C@@H]4C[C@@H]4c3nc2cc1F)c1ccccc1OCc1ccccc1 |r|

CC(C)(O)c1ncc(cn1)-c1cc2n3[C@H]([C@H]4C[C@H]4c3nc2cc1F)c1ccccc1OCc1ccccc1 |r|

CC(C)(O)c1ncc(cn1)-c1cc2n3[C@@H]([C@@H]4C[C@@H]4c3nc2cc1F)c1ccccc1Oc1ccccc1 |r|

CC(C)(O)c1ncc(cn1)-c1cc2n3[C@H]([C@@H]4C[C@@H]4c3nc2cc1F)c1ccccc1Oc1ccccc1F |r|

CC(C)(O)c1ncc(cn1)-c1cc2n3[C@@H]([C@@H]4C[C@@H]4c3nc2cc1F)c1ccccc1Oc1ccccc1F |r|

FC(F)Oc1ccccc1[C@H]1[C@@H]2C[C@@H]2c2nc3cc(F)c(cc3n12)-c1cnc(nc1)N1CCOCC1 |r|

FC(F)Oc1ccccc1[C@@H]1[C@@H]2C[C@@H]2c2nc3cc(F)c(cc3n12)-c1cnc(nc1)N1CCOCC1 |r|

OC(=O)CN1CCN(CC1)c1ncc(cn1)-c1cc2n3[C@H]([C@@H]4C[C@@H]4c3nc2cc1F)c1ccccc1OC(F)F |r|

CC(C)(O)c1ncc(cn1)-c1cc2n3[C@H]([C@@H]4C[C@@H]4c3nc2cc1F)c1ccccc1OCc1ccncc1 |r|

CC(C)(O)c1ncc(cn1)-c1cc2n3[C@@H]([C@@H]4C[C@@H]4c3nc2cc1F)c1ccccc1OCc1ccncc1 |r|

OCc1ccc(cn1)-c1ccc2nc3[C@@H]4CNC[C@@H]4[C@H](c4ccccc4)n3c2c1 |r|

CC(C)(C)NC(=O)N1C[C@H]2[C@@H](C1)c1nc3ccc(cc3n1[C@H]2c1ccccc1)-c1ccc(CO)nc1 |r|

CC(=O)N1C[C@H]2[C@@H](C1)c1nc3ccc(cc3n1[C@H]2c1ccccc1)-c1ccc(CO)nc1 |r|

CCNC(=O)N1C[C@H]2[C@@H](C1)c1nc3ccc(cc3n1[C@H]2c1ccccc1)-c1ccc(CO)nc1 |r|

CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)c1nc3ccc(cc3n1[C@H]2c1ccccc1)-c1ccc(CO)nc1 |r|

OCc1ccc(cn1)-c1ccc2nc3[C@@H]4CN(C[C@@H]4[C@H](c4ccccc4)n3c2c1)C(=O)c1ccccc1 |r|

OCc1ccc(cn1)-c1ccc2nc3[C@@H]4CC=CC[C@@H]4[C@H](c4ccccc4)n3c2c1 |r,c:17|

CNC(=O)c1ccc(cn1)-c1ccc2nc3[C@H]4[C@H]([C@@H]4c4ccccc4)[C@H](c4cc(C)ccc4C)n3c2c1 |r|

COc1ccc(cc1)-c1cc(=O)oc2cc(OCC(=O)Nc3ccc(CCO)cc3)ccc12

O=C(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)Nc1cccnc1

COc1cc(cc(OC)c1OC)C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1

COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(OC)cc1 |w:22.25|

Nc1nc(CCl)nc(Nc2ccc3ccccc3c2)n1

Cc1cccc(Nc2nc(N)nc(CCl)n2)c1

Cc1cccc(Nc2nc(N)nc(CCl)n2)c1C

C(Nc1ncnc2scc(-c3ccccc3)c12)c1ccccn1

FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Oc2cccnc2)nc1

Oc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[N+]([O-])=O

Oc1c(ccc2ccccc12)C(=O)Nc1ccc(Cl)c(c1)[N+]([O-])=O

Nc1cc(NC(=O)c2ccc3ccccc3c2O)ccc1Cl

[O-][N+](=O)c1ccc(Cl)c(C=Cc2cc(nc(=O)[nH]2)C(F)(F)F)c1 |w:9.8|

O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1

OC(=O)c1c(NC(=O)c2ccccc2Cl)sc2CCCCc12

CC1CCc2c(C1)sc(NC(=O)\C=C\c1cccs1)c2C(O)=O

Cc1ccc(cc1NC(=O)c1cc(Cl)c2ccccc2c1O)[N+]([O-])=O

O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(CN2CCc3ccccc3C2)cc1

O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)c1ccc(CN2CCc3ccccc3C2)cc1

Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N1CCN(CC1)c1ccc(F)cc1

Oc1c(ccc2ccccc12)C(=O)Nc1cccc(c1)[N+]([O-])=O

Cc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCCOc3c2)cc1

COCC1CCN(CC1)C(=O)c1cc(COc2ccc3ncccc3c2)on1

Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccccc1F

Cc1ccc(OCc2cc(no2)C(=O)N2CCCC2(CC=C)CC=C)cn1

CCc1cc(no1)C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F

CN(Cc1cccnc1)C(=O)c1cc(COc2ccc3ncccc3c2)on1

CN(Cc1csc(C)n1)C(=O)c1cc(COc2ccc3ncccc3c2)on1

Cc1oc(nc1CN1CCN(CC1)c1ncnc2ccccc12)-c1cccc2ccccc12

COc1ccc(cc1)-c1nc(CN2CCN(CC2)c2ncnc3ccccc23)c(C)o1

Cc1cccc(c1C)-n1ncc2C(CCCc12)NC(=O)C1(CC1)C(N)=O

CC1=C(OCCO1)C(=O)NC1CCCc2c1cnn2-c1cccc(C)c1C |t:1|

CSc1ccccc1OCc1cc(no1)C(=O)N1CCC(CC1)c1ccncc1

COc1ccc(F)c(c1)-c1nc(CN2CCN(CC2)c2ncnc3ccccc23)c(C)o1

Cc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1

Cc1oc(nc1CN1CCN(CC1)c1ncnc2ccccc12)-c1cc(F)ccc1F

Cc1c(O)ccc2c(cc(=O)oc12)-c1ccccc1

CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1

CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cc1

COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2SC(C)C(=O)Nc2c1

CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(C)n1

COc1ccc(CNS(=O)(=O)c2ccc3N(C(C)Cc3c2)C(=O)C2CC2)cc1

CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1

COc1ccc(cc1S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)-c1cc(C)no1

Cc1cc(on1)-c1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3cccc(F)c3)s2)cc1

CN(Cc1ccc(F)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1

Brc1ccc(cc1)C(=O)Nc1nnc(s1)S(=O)(=O)N1CCCCCC1

CC1CCN(CC1)S(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1

CCCCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1

[O-][N+](=O)c1cc(ccc1S(=O)(=O)c1ccccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1

[O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1

[O-][N+](=O)c1cc(ccc1S(=O)(=O)Cc1ccccc1Cl)C(=O)N1CCN(CC1)c1ccccn1

O=C(N1CCN(CC1)c1ccccn1)c1ccc(Cn2c(=S)[nH]c3ccccc3c2=O)cc1

CN1C(=O)\C(Sc2ccc(cc12)C(=O)N1CCN(CC1)c1ccccn1)=C\c1ccccc1C

COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1

CCOC(=O)N1CCN(CC1)C(=O)c1ccc(Cn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1

Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

FC(F)(F)c1cc(C=Cc2ccccc2C(F)(F)F)[nH]c(=O)n1 |w:8.8|

c1cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl

Clc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

FC(F)(F)c1cc(C=Cc2ccc(Cl)cc2Cl)[nH]c(=O)n1 |w:7.6|

COc1cc(cc(OC)c1OC)C(=O)Nc1sc2CC(C)CCc2c1C(O)=O

Cc1onc(c1C(=O)Nc1ncc(s1)[N+]([O-])=O)-c1ccccc1

CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12

C(Nc1ncnc2scc(-c3cccs3)c12)c1ccccn1

NC(=O)c1ccc(N2CCN(CC2)S(=O)(=O)c2ccccc2)c(c1)[N+]([O-])=O

COc1ccc(CNc2ncnc3sccc23)cc1OC

COc1ccccc1CNc1ncnc2sccc12

CC(Nc1ncnc2sccc12)c1ccccc1

OC(=O)c1c(NC(=O)\C=C\c2cccs2)sc2CCCCc12

CN(C)S(=O)(=O)c1cccc(CSCc2cccc(c2)S(=O)(=O)N(C)C)c1

Fc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

Fc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1

CCOc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1

CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1

Fc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1

CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1

CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O

CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1

CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O

CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1

CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O

CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccccc1

CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(C)cc1

COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(C(C)Cc2c1)C(C)=O

CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccccc1

CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(C)cc1

COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(C(C)Cc2c1)C(=O)C1CC1

COc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1

COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1

CSc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1

CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1

COC(=O)c1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1

CCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O

COc1ccc(cc1OC)C(=O)Nc1sc2COC(C)(C)Cc2c1C(O)=O

CCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O

CC(C)(C)c1ccc(cc1)C(=O)ON=C(N)c1ccccn1 |w:13.13|

COC(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1

Cc1oc(nc1CSc1nc2CCCCc2c(=O)[nH]1)-c1ccccc1Cl

CC(C)(C)c1ccc(cc1)-c1nc2ccccc2s1

O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccccc1

O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)NC1CCCCC1

CCn1nc(C)cc1C(=O)NC1CCCc2c1cnn2-c1ccc(C)c(C)c1

Cc1cc(nn1C)C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C

CCc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1

Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F

Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)n(C)n1

Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C

Cc1ccc(C(=O)ON=C(N)c2ccccn2)c(C)c1 |w:8.7|

CC(C)(C)c1ccc(cc1)C(=O)ON=C(N)c1ccccc1 |w:13.13|

CC(C)(C)c1ccc(cc1)C(=O)O[N-]C(=[NH2+])c1cccc(c1)[N+]([O-])=O

CC(C)(C)C(=O)NC(N)=Nc1nc2ccccc2o1 |w:9.9|

COc1cccc(c1)C(=O)Nc1sc2CCCCc2c1C(O)=O

CCCOc1cc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c(=O)c1 |w:9.9|

CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O |w:9.9|

Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CC1CCCO1

COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2Br)c1C

Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1Cc1cccs1

FC(F)(F)c1ccc(NC(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1

COCCn1c(C)cc(C(=O)COC(=O)c2cccc(O)c2)c1C

O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1cccc(c1)C#N

Cc1ccc2oc(N=C(N)NC(=O)C(C)(C)C)nc2c1 |w:7.6|

CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C

Cc1ccc(cc1)-c1nc2ccccc2s1

COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(C)cc1 |w:18.20|

COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cl)cc1 |w:22.25|

COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccc1 |w:22.25|

CN(C)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1

CN(C)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

CN(C)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1

FC(F)(F)Oc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

CCOc1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1

CCOC(=O)c1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1

OS(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

CCOc1ccc(cc1)C(=O)Nc1ccc(CN2CCc3ccccc3C2)cc1

CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C#N

COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

OC(=O)c1c(NC(=O)N2CCOCC2)sc2CCCCc12

CC1CCc2c(C1)sc(NC(=O)c1ccc(Cl)cc1)c2C(O)=O

CC1CCc2c(C1)sc(NC(=O)c1ccc(Br)cc1)c2C(O)=O

COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2CCCCc12

OC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2CCCCc12

COC(=O)c1c(NC(=O)C=Cc2cccs2)sc2CC(C)CCc12

Cc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12

Brc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1

Nc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1Cl

COc1ccc2oc(CS(=O)c3ccccc3)c(C(O)=O)c2c1

Cc1ccc(cc1)S(=O)(=O)n1c2ccc(C)cc2[nH]c1=S

Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1

COc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12

Nc1nc2ccccc2n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O

Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2cc(C)c(C)cc12

Clc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CC1

Cc1cc([nH]n1)C(=O)NC1CCCc2c1cnn2-c1ccccc1F

Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1

Fc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1cc(n[nH]1)-c1ccccc1

Cc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1

Nc1nc2ccccc2n1C(=O)Cc1ccccc1

Nc1nc2ccccc2n1C(=O)c1ccc(F)cc1

O=C(C1CC1)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C#N

CCc1cc(no1)C(=O)NC1CCCc2c1cnn2-c1ccccc1F

CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CC1

[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CC1

CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O

CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C#N

CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O

CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

CCOc1ccc(cc1)C(=O)NC1CCCc2c1cnn2-c1ccccc1F

COc1ccc(cc1)C(=O)Cn1c(N)nc2ccccc12

Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(Cc2ccc(F)cc2)n1

Clc1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1

Clc1ccc(cc1)C(=O)Nc1ccc(CN2CCc3ccccc3C2)cc1

Nc1nc2ccccc2n1CCOc1ccc(Cl)cc1

Clc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1Cl

c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)N

Cc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1

Fc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1ccnn1-c1ccccc1

COc1ccc(cc1)-c1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1

Cn1nc(cc1C(=O)NC1CCCc2c1cnn2-c1ccccc1F)-c1ccc(Cl)cc1

Cn1nccc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccccc1F

Cn1nccc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F

CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1

Clc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc23)cc1

OC(=O)c1c(NC(=O)CCc2ccccc2)sc2CCCCc12

Cc1ccc(O)c(c1)\[NH+]=C\c1c[c-](Cc2ccccc2)cc([N+]([O-])=O)c1=O

COc1ccc(cc1Br)C(=O)NC(=S)N(C)C1CCCCC1

Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2[nH]1

Cc1cccc(c1)-n1[nH]c2c3C(=O)c4ccccc4C(=O)c3ccc2c1=O

CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)NCc2ccco2)n1

Cc1nonc1C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O

OC(=O)c1c2CCCCc2sc1-n1cccc1

CC1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(O)=O

COc1cc(\C=C2\C(=O)NN(C2=O)c2cccc(Cl)c2)cc(Br)c1O

OC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2CCCCc12

CCCCn1c(SCC(=O)Nc2nnc(s2)C(C)C)nc2n(C)c(=O)n(C)c(=O)c12

CC1(C)Cc2c(CO1)sc(NC(=O)c1ccco1)c2C(O)=O

Fc1ccc(NC(=S)Nc2nccs2)cc1

CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1 |w:10.11,3.3|

CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O

CC1(C)Cc2c(CO1)sc(NC(=O)c1ccccc1Cl)c2C(O)=O

CC1(C)Cc2c(CO1)sc(NC(=O)c1ccccc1)c2C(O)=O

Cc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc23)cc1

CCC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1

Fc1ccc(cc1)N1CCN(CC1)C(=S)NC(=O)c1cccs1

COC(=O)c1c(NC(=O)c2cccc(F)c2)sc2CC(C)CCc12

CCC1CCc2c(C1)sc(NC(=O)c1ccccc1Br)c2C(=O)OC

OC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12

CCOC(=O)C1=C(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:5|

Cc1ccc(o1)C(=O)Nc1sc2CCCCc2c1C(O)=O

CCOC(=O)c1c(NC(=O)c2cccs2)sc2COC(C)(C)Cc12

COC(=O)c1c(NC(=O)c2ccccc2)sc2COC(C)(C)Cc12

Cc1ccc(SCc2cc(=O)[nH]c(SCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1

Cc1ccc2N(CCCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccccc1C(O)=O

O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1

CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1

Oc1ccc(N=Nc2ccccc2C(F)(F)F)c2cccnc12 |w:6.6|

CCCCNCC(=O)Nc1sc2CCCCc2c1C(O)=O

OC(=O)c1c(NC(=O)C(=O)N2CCOCC2)sc2CCCCc12

CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2COC(C)(C)Cc12

Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc2ccc(C)nc12 |w:14.16|

Cc1oc2c(C)c3oc(=O)c(CCC(O)=O)c(C)c3cc2c1-c1ccccc1

COC(=O)c1c(NC(=O)C(=O)N2CCCCC2)sc2COC(C)(C)Cc12

CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N1CCCCC1)c2C(O)=O

CCc1cc2\C(C(=O)N3c2c(c1)C(C)CC3(C)C)=C1\SC(=O)NC1=O

CCCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O

CC(=O)Nc1nc2ccccc2n1Cc1ccccc1

CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl

CC(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl

CC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1

C\C=C\Cn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

[O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(F)cc(F)cc2s1

CCCc1nc(SCC(=O)N2CCC(Cc3ccccc3)CC2)c2c(n1)n(C)c(=O)n(C)c2=O

COC(=O)c1scc(c1NN=C(C#N)C(=O)c1ccc(Cl)cc1)S(=O)(=O)C(C)C |w:10.10|

CC(C)(C)NC(=S)NN=Cc1cc(Br)c(O)c(Br)c1 |w:8.7|

FC(F)(F)c1cc(c2ccc(nc2n1)C(C#N)c1ccccc1)C(F)(F)F

Fc1ccccc1S(=O)(=O)Nc1ccccc1SCC(=O)Nc1nnc(s1)C(F)(F)F

FC(F)(F)c1cccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1

Cc1ccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1

O=C(N1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c1ccc(cc1)S(=O)(=O)N1CCCCC1

COc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c1

Cc1nn(-c2ccccc2)c2nc([nH]c(=O)c12)C(Cl)(Cl)Cl

CSC(=S)NN=Cc1ccc(Br)cc1 |w:5.4|

CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)c(F)c4)c3)sc2c1

Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1NS(=O)(=O)c1cccs1

O=C(CSc1ccc2ccccc2c1)OCC(=O)C(C#N)c1nc2ccccc2[nH]1

Cc1cc(Br)ccc1SCC(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1

Cc1cc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)cc1Br

COc1ccccc1N(CC=C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(cc1)N1CCOCC1

Cc1ccc(C)c(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1

CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(CC)cc1

Clc1ccc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)cc1

OC(=O)c1cc(Br)ccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1

Cc1cc(NC(=O)c2ccc(C)s2)n(n1)-c1nc2ccccc2[nH]1

CC(C)Cn1c(N)c(C(=O)COC(=O)c2oc3ccccc3c2C)c(=O)n(C)c1=O

COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

NC(=O)C1CCN(CC1)c1ccc(cn1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1

Clc1ccc(Cn2c(NC(=O)c3cccs3)nc3ccccc23)cc1

Clc1ccc(Cn2c(NC(=O)C3CCCCC3)nc3ccccc23)cc1

Cc1ccccc1C(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1

Clc1ccc(Cn2c(NC(=O)c3ccccc3)nc3ccccc23)cc1

Clc1ccc(Cn2c(NC(=O)Cc3ccccc3)nc3ccccc23)cc1

Nc1nc2ccccc2n1Cc1ccccc1Cl

CN(C)c1ccc(cc1)C(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1

CC(C)C(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1

Clc1ccccc1Cn1c(NC(=O)c2cccs2)nc2ccccc12

Clc1ccccc1Cn1c(NC(=O)C2CCCCC2)nc2ccccc12

Clc1ccc(Cn2c(NC(=O)c3ccc(Cl)cc3)nc3ccccc23)cc1

COc1ccc(cc1)C(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1

CC(=O)Nc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1

CC(=O)Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1

Clc1ccc(Cn2c(NC(=O)c3ccc(cc3)C#N)nc3ccccc23)cc1

Fc1ccc(cc1)C(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1

Clc1ccccc1Cn1c(NC(=O)c2ccco2)nc2ccccc12

Clc1ccc(cc1)C(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl

Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O

CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12

C\C=C\Cn1c(SCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

CCCCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2n(C)c(=O)n(C)c(=O)c12

CCCCn1c(SCC(=O)c2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

CC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccccc1

COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

Cn1c2nc(n(Cc3ccccc3)c2c(=O)[nH]c1=O)[N+]([O-])=O

Cn1c2nc(SCCCc3ccccc3)n(CC=C)c2c(=O)[nH]c1=O

CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

C\C(Cl)=C/Cn1c(NCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12

CCCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12

C\C=C\Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12

CC(C)n1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

O=C(Nc1nc(cs1)-c1ccc2OCOc2c1)c1ccncc1

CCn1c(SCC(=O)Nc2nc(cs2)-c2ccccc2)nnc1-c1ccccc1

Cc1ccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc23)cc1

CN1CCN(CC1)c1cc2nc(C)n(Cc3ccccc3)c(=O)c2cc1NC(=O)Cc1ccccc1

CCCCCCC1=Cc2c\c(=C3\NN\C(O3)=C3\C=CC=CC3=O)c(=O)oc2=CC1=O |c:18,20,29,t:6|

Cn1c(nc2n(C)c(=O)n(Cc3ccc(Cl)cc3)c(=O)c12)N1CCN(CC1)c1ccccn1

COc1ccc(O)c(c1)-c1n[nH]cc1C(=O)c1ccccc1

CC1CCc2sc3ncnc(N4CCOCC4)c3c2C1

COc1ccccc1-c1nc(C#N)c(o1)N1CCN(CC1)c1cccc(Cl)c1

O=C(CSc1ncnc2c3ccccc3oc12)N1CCCc2ccccc12

Clc1ccc(Cn2c3CCCc3c(=N)c3CCCc23)cc1

CC(C)c1ccc(C)cc1OCc1ccc(cc1)-c1nnco1

CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1

CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc2cc3OCCOc3cc2s1

CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C

Cc1cc(C(=O)CSc2nnc(o2)-c2ccco2)c(C)n1-c1ccc2OCCOc2c1

COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)o1

Cc1conc1NC(c1cccs1)c1ccc2cccnc2c1O

CCCCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nc2ccsc2c1=O

Clc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O

COc1ccc2cc3cc(oc3nc2c1)C(=O)NCCc1ccc(OC)c(OC)c1

COc1ccc2nc(Nc3nc(C)c(s3)C(C)=O)sc2c1

Cc1cccc(N2CCN(CC2)C(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)c1C

CCN(C(=O)c1cnc(N2CCN(CC2)c2ncccn2)c2ccccc12)c1cccc(Cl)c1

Cc1cc(NC(=O)CCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)-c2ccccc2)no1

Oc1c(CN2CCN(CC2)c2ccccn2)cc(Cl)c2cccnc12

Fc1cccc(F)c1C(=O)Nc1ccncc1

COc1ccc(NS(=O)(=O)c2ccc-3c(Cc4ccccc-34)c2)cn1

CCS(=O)(=O)c1nnnn1-c1ccccc1S(C)(=O)=O

CC1CCc2nc(NC(=O)CSc3nc4ccccc4o3)sc2C1

O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3|

COCCn1c(C)cc(C(=O)CSc2ncnc3sc4CCCc4c23)c1C

CC(C)(C)C1CCC2(CC1)C(C#N)C(=O)NC(SCC(=O)NC1CCCCC1)=C2C#N |c:29|

COc1ccc(CCNc2oc(COc3ccccc3Cl)nc2C#N)cc1OC

COc1ccc(CCNc2oc(COc3ccc(Br)cc3)nc2C#N)cc1OC

CCOc1ccc(cc1)-c1nc(CSCC(=O)N2CCN(CC2)c2cccc(OC)c2)c(C)o1

Cc1nc2ccccc2c2oc(cc12)C(=O)NCC1COc2ccccc2O1

CCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)c(OC)c(OC)c1

Clc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1

COc1ccc(cc1)-n1ncc2c(ncnc12)N(C)C1CCCCC1

CN(C1CCCCC1)c1ncnc2n(ncc12)-c1cccc(C)c1

CN1CCN(CC1)c1ncnc2ccc(Br)cc12

CC(=O)NC(c1ccco1)c1ccc2cccnc2c1O

O=C(Nc1ccc2nn(nc2c1)-c1ccccc1)c1ccc2OCCOc2c1

Brc1ccc2ncnc(NCc3ccco3)c2c1

CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3OC)c(=O)oc2=CC1=O |c:13,30,t:6|

Clc1ccc(OCC(=O)Nc2nc(cs2)-c2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1

Clc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1cccc(Br)c1

Cc1sc2nc(C)nc(N3CCN(CC3)C(=O)COc3ccccc3)c2c1C

Cn1c(SCC(=O)N2CCCc3ccccc23)nc2ccccc2c1=O

Cc1nc2c(Br)cc(Br)cc2cc1O

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

COc1cc2CCN=C(c3ccc(o3)-c3cc(Cl)ccc3Cl)c2cc1OC |t:7|

Cn1c(Oc2ccc3ccccc3c2)nc2n(C)c(=O)n(C)c(=O)c12

Cc1cccc(NC(=S)NN=C2C(=O)N(CC=C)c3ccccc23)c1 |w:10.9|

CCOc1ccccc1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1

Clc1ccc(cc1)S(=O)(=O)c1snnc1-c1ccccc1

Cc1nc(c(Br)n1CC(=O)c1ccc2ccccc2c1)[N+]([O-])=O

COc1cccc(NC(=S)NN=C2C(=O)N(CC=C)c3ccccc23)c1 |w:11.10|

Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Br

FC(F)Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1

Cc1ccc2c(C)ccc(O)c2n1

Cc1cc(Cl)c(cc1OCC(=O)NC1CCCCC1)S(=O)(=O)N1CCSCC1

Cc1c(NS(=O)(=O)c2ccc3OCCOc3c2)cccc1-c1nc2cccnc2s1

COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)c(CN3CCCCC3)c12

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

COc1cccc(Cn2c(NCc3cccnc3)nc3n(C)c(=O)n(C)c(=O)c23)c1

CCc1nc(SCC(=O)N2CCN(CC2)c2ccccc2)c2oc3ccccc3c2n1

Oc1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:9|

CCCCCCCn1ccc(=N)cc1

CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O

[H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)(C2)C3 |TLB:8:1:33:6.9.5,8:6:33:1.32.2,THB:5:6:32:3.33.2|

ClCC(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1

COc1ccc([CH+][N-]NS(=O)(=O)c2ccc(F)cc2)cc1COc1cc(F)ccc1[N+]([O-])=O

CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(c2)S(=O)(=O)N2CCOCC2)c1C

COc1cc(C=C(C(=O)c2cccs2)c2nc3ccccc3[nH]2)ccc1O |w:5.4|

CCn1nc(c(C(C#N)c2nc3cc(ccc3s2)C(F)(F)F)c(Cl)c1=O)[N+]([O-])=O

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

[O-][N+](=O)c1cc(ccc1Cl)C(=O)c1ccccc1C(=O)OCC(=O)NC1CCCCCC1

CCn1nc(c(C(C#N)c2nc3ccccc3s2)c(Cl)c1=O)[N+]([O-])=O

ClCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1

CCN(CC)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1

COc1ccc(NC(=O)c2c(N)c(sc2Nc2ccccc2)C(=O)c2ccc(F)cc2)cc1

Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1

Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)c(C)c1

Cc1sc(NC(=O)c2ccc(C)c(c2)[N+]([O-])=O)c(C(N)=O)c1-c1ccccc1

Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)cc1

CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccc(c2)[N+]([O-])=O)n1

COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccccc1O)=[N+]2C |c:24|

CC(C)N1C(=O)N(Cc2ccco2)C(=O)\C(=C/C=C/c2ccco2)C1=O

Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccccc4Br)cc3)cc2)n1

O=S(=O)(Nc1cccc(c1)-c1cn2cccnc2n1)c1ccc(cc1)-c1ccccc1

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

Cc1sc2nc(C)nc(SCC(=O)N3CCc4ccccc4C3)c2c1C

COc1ccc(\C=C\c2cc(o[n+]2C)-c2ccc(C)cc2)cc1

[O-][N+](=O)c1cc(Cl)c[c-](C[NH+]=Nc2ccccn2)c1=O |w:10.9|

ClC(Cl)C(=O)N1C(COc2ccccc12)c1ccccc1

Cc1cc(C)cc(OCC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)c1

Cn1c(Sc2ccc(Cl)cc2)c(C=O)c2ccccc12

Clc1ccsc1-c1csc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1

Clc1cccc(Cl)c1CON=CNc1ncnc2sccc12 |w:10.10|

COC(=O)c1sccc1NC(=O)CSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl

C[C+](Cn1nnc(n1)[N+]([O-])=O)[N-]NC(=O)c1ccc(Cl)c(Cl)c1

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

[#6]-[#8]-[#6](=O)-[#6](=[#6]\c1ccc(-[#8]-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)c(-[#8]-[#6])c1)\[#6](=O)-[#8]-[#6]

OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc3ccccc23)C1=O

[#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(-[#8]-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)c(-[#8]-[#6])c1)\[#6](=O)-[#8]-[#6]-[#6]

Cc1ccc(cc1)-c1c(C#N)c(N)n2c3ccccc3nc2c1C#N

Clc1ccc(Nc2ncnc3ccc(Br)cc23)cc1

Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccccc1NS(=O)(=O)c1ccc(C)cc1

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

[O-][N+](=O)c1ccccc1C(=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1

COc1ccccc1C(=O)NCc1ccc(cc1)-c1nc2ccccc2s1

Cc1nc2CCCCc2cc1C(=O)C=Cc1ccccc1 |w:13.14|

CCOC(=O)c1sc2ccccc2c1OC(=O)c1ccc(C)cc1

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

Clc1cccc(c1)C(=O)NC(NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl

COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c(c4)[N+]([O-])=O)c3nc2c1

CCc1c(C)nc2ccc(Br)cc2c1SCCC#N

Cc1ccccc1N1C(=O)NC(=O)C(=Cc2c([nH]c3ccccc23)-c2ccccc2)C1=O |w:14.15|

CC(=O)c1ccc(Sc2nnnn2-c2ccccc2)c(c1)[N+]([O-])=O

CC(C)CCn1c(Sc2nc3ccccc3o2)nc2n(C)c(=O)[nH]c(=O)c12

Cc1cc(C)nc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)n1

Cc1ccc(C)c(c1)-n1[nH]c2c3C(=O)c4ccccc4C(=O)c3ccc2c1=O

[#6]-c1ccc(cc1)-[#6](=O)-[#7]\[#6](=[#6](/Cl)Cl)S(=O)(=O)c1ccc(-[#6])cc1

Cc1cc(C)c(C#N)c(SCc2nnc(o2)-c2ccccc2)n1

COCCN(C(C(=O)NC1CCCCC1)c1ccccc1C)C(=O)CCl

COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(C)cc1)C(=O)NC1CCCCC1

ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1

[O-][N+](=O)c1nnn(n1)[C@@H]1[C@H](CC(=CC1=O)c1ccccc1)c1cccs1 |c:12|

[O-][N+](=O)c1cc(ccc1S(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCCCC1

Cc1ccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c(C)c1

CCSCCc1nnc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1

COc1cc(CN=Nc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc2ccccc2)ccc1OC(=O)c1ccco1 |w:7.7|

Clc1ccccc1\C=C1/SC(=S)N(CCCC(=O)NNC(=O)c2ccccc2)C1=O

CCc1ccc(OCC(=O)Nc2ccc(c(OC)c2)-c2cc3ccccc3oc2=O)cc1

CCOc1ccc(cc1)C(=O)C(CCC(CN(C)C)C(=O)c1ccc(OCC)cc1)CN(C)C

COc1ccc(CN(CCC(c2ccccc2)c2ccc(OC(C)C)cc2)C(=O)CCl)cc1OC

C=C(C(CC(=O)c1ccccc1)c1ccccc1)C(=O)c1ccccc1

CC(C)CC(=O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1 |w:7.7|

Cc1ccc(cc1)S(=O)(=O)C(\NC(=O)c1ccccc1)=C\Cl

Cc1cc(C)cc(NC(=O)\C=C\c2ccc(s2)[N+]([O-])=O)c1

Cc1ccc(cc1)C(=O)c1cnc2cc3OCCOc3cc2c1S(=O)(=O)c1ccccc1

CC(C)c1ccc(cc1)S(=O)(=O)c1cc2cc(Br)ccc2oc1=O

CCCn1c(C)cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c1C

Clc1cccc(\C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c1

CN(C1=C(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:2|

CN(c1ccccc1)S(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1nc2ccccc2[nH]1

Cc1ccc(o1)C1=NN(C(C1)c1cccs1)C(=O)CCl |t:7|

Cc1cccc(CN2CCN(CC2)C(=O)CCl)c1

CCOc1ccc(cc1)-c1csc([nH+]1)C(=C\[c-]1ccc(=O)c(c1)[N+]([O-])=O)\C#N

[O-][N+](=O)c1ccc(\C=N\NC(=O)CNc2cccc3ccccc23)o1

Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCCCC1

CCc1nnc(NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N2CCc3ccccc3C2)s1

CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O |c:32|

Fc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc2OCOc2c1

CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(cs2)-c2ccc(cc2)-c2ccccc2)c1C

O=C(Nc1nc(cs1)-c1ccc2ccccc2c1)\C=C/c1ccco1

COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1

FC(F)(F)c1cnc(NNC(=S)Nc2ccccc2Cl)c(Cl)c1

ClCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCCC1

COc1cc(NC(=O)c2cccs2)c(cc1OC)C(=O)OCC(=O)c1cc(C)n(c1C)-c1ccccc1

Brc1cccc(c1)C(=O)NC(=S)N1CCN(Cc2ccc3OCOc3c2)CC1

ClCC(=O)N1N=C(CC1c1cccs1)c1ccco1 |c:5|

CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc2nc(C)sc2c1

COc1cc(\C=C\C(=O)c2ccc(C)cc2)ccc1OCC#N

Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1CC=C

CC(=O)Nc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc(C)n(Cc2ccccc2)c1C

CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc2nc(C)sc2c1

COc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(Br)cc2)cn1

COc1ccc(NS(=O)(=O)c2ccc(N=NC(C)c3ccncc3)c(c2)[N+]([O-])=O)cc1 |w:14.13|

CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(c1)[N+]([O-])=O

CC(C)c1ccc(C)cc1OCc1ccc(cc1)C(=O)NN=Cc1cccc(O)c1O |w:21.22|

COc1cc(\C=C2\CCc3ccccc3C2=O)cc(OC)c1OC

CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc2ccccc2o1

ClCC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1

CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)ccc1Cl

Cc1c(C=NNC(=O)c2ccccc2O)c2ccccn2c1C(=O)c1ccc(F)cc1 |w:4.4|

CN(C(=O)COc1ccccc1C(=O)NCCOc1ccccc1)c1ccccc1

[H]C12CCC([H])(C1)C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1 |TLB:9:8:6:2.3,THB:12:7:6:2.3|

CCCc1nc(SCC(=O)Nc2nnc(SCC)s2)c2c(n1)n(C)c(=O)n(C)c2=O

Cc1cc(CN=Nc2ncnc(N)c2[N+]([O-])=O)c(C)n1-c1ccccc1 |w:5.4|

Cc1ccc(Sc2ccc(\C=C3\C(=O)NN(C3=O)c3ccccc3)o2)cc1

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

OC(=O)CCn1cc(\C=C\C(=O)c2ccc(Cl)cc2)c(n1)-c1cccc(Br)c1

Cc1cc(CN=Nc2nc(N)ncc2[N+]([O-])=O)c(C)n1-c1ccccc1F |w:5.4,(8.87,-4.72,;7.96,-3.47,;8.44,-2.01,;7.19,-1.1,;7.19,.44,;8.53,1.21,;8.53,2.75,;9.86,3.52,;11.19,2.75,;12.53,3.52,;13.86,2.75,;12.53,5.06,;11.19,5.83,;9.86,5.06,;8.53,5.83,;8.53,7.37,;7.19,5.06,;5.95,-2.01,;4.48,-1.53,;6.42,-3.47,;5.52,-4.72,;6.14,-6.12,;5.24,-7.37,;3.71,-7.21,;3.08,-5.8,;3.99,-4.56,;3.36,-3.15,)|

Clc1ccc(NC(=S)NNc2ccnc3cc(Cl)ccc23)c(Cl)c1

[O-][N+](=O)c1ccc(C=NNC(=S)Nc2ccc(Cl)cc2Cl)s1 |w:8.8|

Clc1ccc(Sc2ccc(\C=C3/C(=O)NN(C3=O)c3ccccc3)o2)cc1

CCOc1ccc(cc1)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1

Cc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1

COc1ccc(\C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1

O=S(=O)(NCC1CCCO1)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CCCO1

Oc1ccc(\C=C2/SC(=O)N(Cc3cccc(c3)[N+]([O-])=O)C2=O)cc1[N+]([O-])=O

COCCN(CC(=O)NC1CCCCC1)C(=O)\C=C\C(=O)c1ccc(OC)cc1O

Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc4SCC(=O)Nc4c3)ccc2Cl)c(C)c1

COc1ccc(CC2(CO)CCN(CC3=Cc4cc(Cl)ccc4OC3)CC2)cc1 |t:14|

CN1\C(=C\c2cc[n+](C)c3ccccc23)C=Cc2ccccc12 |c:17|

CCCCN1\C(Sc2ccccc12)=C\c1ccc2ccccc2[n+]1CC

S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(CC1)c1ccccn1

Fc1cccc(F)c1OCc1cc(no1)C(=O)N1CCC(CC1)c1ccncc1

Cc1c(sc2nc(C)nc(N3CCN(CC3)c3ccccn3)c12)C(=O)Nc1ccccc1F

CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3cc(F)ccc3C)c(C)c12

CCOC(=O)\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1

CCN(CC)c1ccc(cc1NC(=O)CN1CCc2ccccc2C1)S(=O)(=O)N1CCOCC1

Cc1ccc(NC(=O)CC(=O)c2ccc(cc2)[N+]([O-])=O)cc1S(=O)(=O)Nc1cccc(Cl)c1

COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1

O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(cc1)S(=O)(=O)N1CCCC1

Nc1ncnc(Nc2ccccn2)c1[N+]([O-])=O

[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1

Nc1[nH]n2c(nc(cc2=O)-c2ccccc2)c1N=Nc1ccc2OCOc2c1 |w:18.21|

Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1

O=C(N1CCCCCC1)c1cc(COc2ccc3ncccc3c2)on1

Clc1ccc(cc1)C(=O)C1CCCN(Cc2ccc3ncccc3c2)C1

COc1ccc(-c2nc(CN3CCN(CC3)c3ncnc4ccccc34)c(C)o2)c(OC)c1

Clc1ccc(NC(=O)c2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)nc1

Cc1ccc(NC(=O)Cc2cc(C(O)=O)c3ccccc3n2)c(C)c1

COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)cc1

CC(C)COc1ccc(cc1)C(=O)Nc1sc2COC(C)(C)Cc2c1C(O)=O

Nc1[nH]nc2ncc3cc4ccccc4nc3c12

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

[O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1cccnc1

COc1ccc(cc1)C1=Nn2c(SC1)[n+](C)c1ccccc21 |t:9|

COc1ccc(cc1)-c1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1

COc1ccccc1N1CCN(CC1)c1ncc(C(=O)N2CCN(CC2)c2cccc(Cl)c2)c2ccccc12

Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1

Brc1cc(C=NNC(=O)c2ccncc2)sc1Br

CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2)c(c1)C(C)(C)CC

Cc1ccc(C)c(c1)N=Nc1ccc(O)c2ncccc12 |w:8.8|

CN1C(=O)C(=NNC(=S)Nc2ccccc2F)c2cc(ccc12)S(=O)(=O)N1CCOCC1 |w:5.5|

[#6]-c1ccc(cc1)-[#6](=O)-[#7]\[#6](=[#6](/Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1

COc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1

COc1cc2ncnc(NCCc3ccccc3)c2cc1OC

Cc1noc2ncnc(N3CCN(CC3)c3cccc(Cl)c3)c12

[O-][N+](=O)c1cnc(NC(=O)Cc2ccc(Cl)cc2)s1

[#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]\c1ccc(cc1)-n1cncn1)\[#6](=O)-[#8]-[#6]-[#6]

CN(C)S(=O)(=O)Oc1ccc(cc1)C(=O)Nc1cccc(c1)C(F)(F)F

Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O

Oc1c(Br)cc(Br)cc1C=NNC(=O)CNC(=O)c1cccc(Br)c1 |w:10.11|

Nc1nonc1C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O

Cc1ccc(CNc2ncnc(N)c2[N+]([O-])=O)cc1

Cc1ccc(O)c(c1)C(=O)c1cc(C#N)c2nc3ccccc3n2c1

COCC(C)n1c(C)cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c1C

CCc1ccc(CN(C)C(=O)CCc2nc3ccccc3n(-c3ccc(OC)cc3)c2=O)cc1

C(C1CCN(CC1)c1ncnc2sccc12)c1ccccc1

ClCC(=O)Nc1cn(nc1-c1ccccc1)-c1ccccc1

CCCc1cc(NC(=O)CCl)n(n1)-c1ccccc1

CC1CCCCC1NC(=O)C(=C\C=C\c1ccccc1[N+]([O-])=O)\C#N

Cc1cc(C(=O)COc2cccnc2[N+]([O-])=O)c(C)n1Cc1ccco1

Cc1c(\[NH+]=c2/scc(-c3ccc(Cl)cc3Cl)n2CC=C)c(=O)n(-c2ccccc2)n1C

[#6]-[#6]-1-[#6]-[#6](-[#6])-[#6]\[#7+](-[#6]-1)=[#6]-1/[#6]C([#6])([#6])[#6]-[#6](=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:15|

CCc1ccc(cc1)C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O

[#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:4|

Cc1cc(C(=O)CCl)c(C)n1CCc1ccccc1

COc1ccc(cc1)-c1csc(NC(=O)C2=NN(C(=O)CC2)c2ccccc2)n1 |t:16|

CC(C)c1ccc(cc1)-c1csc(NC(=O)c2cccs2)c1C(O)=O

Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1S(=O)(=O)N1CCCCC1

CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1

Cc1cc(C(=O)COc2cccnc2[N+]([O-])=O)c(C)n1Cc1cccs1

COC(=O)c1ccc2c(c1)nc(CCl)[nH]c2=O

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]

CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2cccc3cnccc23)c1

OC(=O)CCSc1ncnc2sc(cc12)-c1ccccc1

CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2C)c(c1)C(C)(C)CC

Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccccc2[N+]([O-])=O)n1 |w:13.13|

COc1ccc(cc1)-c1c[nH]nc1-c1ccc(OCc2ccccc2)cc1O

COc1ccc(cc1)C(C(=C)C(=O)c1ccccc1)C(=C)C(=O)c1ccccc1

COc1ccc2c(C)nc(Nc3nc(cc(=O)[nH]3)-c3ccccc3)nc2c1

CC(=O)n1cc(N(C(=O)CCl)c2ccc(C)cc2)c2ccccc12

Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12

CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2cccc(O)c2)C1=O

COc1ccc2nc(N3CCCCC3)c(C=C3SC(S)=NC3=O)cc2c1 |w:15.15,c:20|

CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2ccc(O)cc2)C1=O

COc1ccc(cc1OC)-c1c[nH]nc1-c1ccc(OCc2ccccc2F)cc1O

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

Cc1ccc(Nc2nc(N)nc(CCl)n2)c(C)c1

Cc1c(Nc2c3ccccc3nc3ccccc23)c(=O)n(-c2ccccc2)n1C

[H]C12CC3([H])CC(C1)(CC(C2)(C3)n1nnc(C)n1)C(=O)N1CCN(CC1)c1cc(C)ccc1C |TLB:11:9:7:3.5.2,THB:12:9:7:3.5.2,12:9:5:1.7.2,10:9:5:1.7.2,10:1:5:9.8.11|

CC(C)c1ccc(cc1)-c1nc2ccccc2s1

Clc1c(Cl)c(Cl)c2[nH]nnc2c1Cl

Cc1nc(cs1)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:14|

COc1cc(NC(=O)c2cc3ccccc3cc2O)c(OC)cc1Cl

Oc1c(ccc2ccccc12)C(=O)Nc1ccc(Br)c2ccccc12

Nc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2n1

Clc1ccc(-c2nnc(SC3CCOC3=O)o2)c(Cl)c1

FC(F)(F)c1cc(nc2nc(SCC(=O)Nc3cc(Cl)ccc3C#N)[nH]c(=O)c12)-c1cccs1

Fc1ccc2[nH]c3c(ncnc3c2c1)N1CCc2ccccc2C1

Cc1c([N+]([O-])=O)c2ccc(O)cc2n1-c1ccc(C)cc1

Clc1ccc(cc1)-c1cn[nH]c1C(=O)C1CO1

Oc1ccc(Cl)cc1-c1cc([nH]n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

COc1cc(ccc1-c1ccc(\C=N\NC(=O)c2ccccc2O)o1)[N+]([O-])=O

O=C1NC(=O)\C(=C/C=C/c2ccco2)C(=O)N1Cc1ccccc1

ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1

[O-][N+](=O)c1cnc(NC(=O)Cc2ccc(Br)cc2)s1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)C(=O)c4c[nH]c5ccccc45)c3)cc2C(F)(F)F)CC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4ccno4)c3)cc2C(F)(F)F)CC1

C\C(\C=C1/SC(=S)N(C1=O)c1ccc(cc1)C(O)=O)=C/c1ccccc1

[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cc3ccccc3o2)o1

Cc1csc2ncnc(NC3CCN(Cc4ccccc4)CC3)c12

Cc1csc2c(ncnc12)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1

Cc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1

COC(=O)c1scc(C#N)c1NN=C(C#N)S(=O)(=O)c1ccc(Cl)cc1 |w:12.12|

COc1ccccc1OCCCOc1cccc(\C=C2/SC(=O)NC2=O)c1

COc1ccc(C=CC(=O)c2c(C)cc(C)[nH]c2=O)c2ccccc12 |w:6.5|

Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Cl

CC(=O)c1cn(Cc2ccccc2F)c2ccccc12

[O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(Cl)cccc2s1

CCSc1nsc(NC(=O)Nc2cccc(c2)C(C)=O)n1

CCSc1nsc(NC(=O)Nc2cccc(F)c2)n1

CC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O

O=C1C=C(N2CCOCC2)c2ccccc2C1=O |t:2|

CCc1nc(N2CCN(CC2)C(=O)CCl)c2c3CCC(C)Cc3sc2n1

Fc1ccc(NC(=O)Nc2nc(SCC=C)ns2)cc1

CC(=O)NC(c1cccc(c1)[N+]([O-])=O)c1ccc2cccnc2c1O

Cc1c(OCc2ccccc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12

COc1ccc(cc1)-c1cc(=O)oc2cc(O)ccc12

COc1cc(\C=C\c2ccc3cccc(O)c3n2)cc(Br)c1OC

COc1cc(\C=C2/CC(C\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)C(C)(C)C)cc(OC)c1OC

CC(=O)c1c(C)n(-c2ccc(cc2)C(C)=O)c2ccc(O)cc12

Brc1ccc(cc1)-c1cc2nc(cc(=O)n2[nH]1)-c1ccccc1

[O-][N+](=O)c1cccnc1S(=O)(=O)c1ccccc1

Cc1ccc(cc1)S(=O)(=O)c1ccc(cn1)[N+]([O-])=O

Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1

CCOc1ccc(cc1)-n1c(C)c(C(C)=O)c2cc(O)ccc12

COc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1OC

COc1cc(OC)c(\C=C2/CC(C)C\C(=C/c3cc(OC)c(OC)cc3OC)C2=O)cc1OC

Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C

COc1ccc2c3ccc(OCc4ccc(cc4)C(O)=O)c(C)c3oc(=O)c2c1

COc1cc(OC)c(\C=C2/CCC\C(=C/c3cc(OC)c(OC)cc3OC)C2=O)cc1OC

COc1ccc(Cl)cc1\C=C\c1ccc2cccc(O)c2n1

Oc1c(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cccc1[N+]([O-])=O

CN1\C(Sc2ccc(C)cc12)=C\c1cccc[n+]1C

CCS(=O)(=O)C1=NN2C(S1)=NC(=O)C(=Cc1ccc(OCCOc3cccc(OC)c3)c(OC)c1)C2=N |w:14.15,c:10,t:5|

Cn1c(\C=C\c2ccc(Br)cc2)c([N+]([O-])=O)c(=O)n(C)c1=O

COc1cc(\C=C\c2ccc3cccc(O)c3n2)cc(Cl)c1OC

CCOc1cccc(C=Cc2ccc3cccc(O)c3n2)c1O |w:9.9|

CCCCCOc1ccc(\C=C\c2c([N+]([O-])=O)c(=O)n(C)c(=O)n2C)cc1

Cn1c(\C=C\c2ccc(Cl)cc2)c([N+]([O-])=O)c(=O)n(C)c1=O

COc1cc(Br)cc(C=Cc2ccc3cccc(O)c3n2)c1O |w:9.9|

COc1cc(\C=C2/CCC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O

COc1cccc(C=NNC(=O)c2c(C)nc3ccc(Cl)cn23)c1O |w:8.8|

Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1cccc(F)c1 |w:14.16|

CCN(CC)c1ccc(\C=C\c2ccc3ccc(OC)cc3[n+]2CC)cc1

CN(C)c1ccc(\C=C\c2ccc(C)c[n+]2C)cc1

COc1cc(cc(OC)c1OC)C(=O)NCCOc1cc(C)ccc1C(C)C

COc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1OC

Fc1ccc(cc1)-c1cc2nc(CCl)[nH]c(=O)c2s1

COc1cccc(c1)N=Nc1ccc2cccnc2c1O |w:8.8|

COc1ccccc1N1CCN(CC1)c1ncnc2sc(C)c(-c3ccccc3)c12

Cc1nc(SCCC(O)=O)c2cc(sc2n1)-c1ccccc1

CN(C(=O)C(C)(C)C)c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1

ClCC(=O)N1C(CSc2ccccc12)c1ccccc1

CCOc1ccccc1-n1c(SCC(=O)Nc2ccccc2C(O)=O)nc2ccccc2c1=O |(4.41,-2.55,;5.75,-1.78,;7.08,-2.55,;7.08,-4.09,;5.75,-4.86,;5.75,-6.4,;7.08,-7.17,;8.41,-6.4,;8.41,-4.86,;9.75,-4.09,;9.75,-2.55,;8.41,-1.78,;8.41,-.24,;7.08,.53,;5.75,-.24,;7.08,2.07,;5.75,2.84,;4.41,2.07,;3.08,2.84,;3.08,4.38,;4.41,5.15,;5.75,4.38,;7.08,5.15,;7.08,6.69,;8.41,4.38,;11.08,-1.78,;12.42,-2.55,;13.79,-1.73,;15.19,-2.52,;15.19,-4.12,;13.79,-4.91,;12.42,-4.09,;11.08,-4.86,;11.08,-6.4,)|

Fc1ccc(F)c(CNc2ncnc3cc(Cl)ccc23)c1

On1c(nc2ccc(Br)cc2c1=O)-c1ccc(Cl)cc1

CSc1cccc(NS(=O)(=O)c2ccc3N(CCc3c2)C(C)=O)c1

Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccccc2O)cc1 |w:13.12|

COc1cccc(OCCOc2ccc(C=C3SC(S)=NC3=O)cc2)c1 |w:15.14,c:19|

Oc1cccc(CN=Nc2ccc(Cl)nn2)c1O |w:8.8|

ClCC(=O)Nc1c2CSCc2nn1-c1ccccc1

COc1ccc(cc1)-n1nc2CSCc2c1NC(=O)CCl

Oc1c(Br)cc(Br)cc1CN=Nc1ccc(Cl)nn1 |w:10.10|

COc1cccc(c1)N=Nc1ccc(O)c2ncccc12 |w:8.8|

Cc1cc(C(=O)N\N=C\c2ccc(s2)[N+]([O-])=O)c2ccccc2n1

Cc1c(sc2ncnc(N3CCN(CC3)c3ccccn3)c12)C(=O)N1CCN(CC1)c1ccc(F)cc1

COc1ccc(C)cc1NC(=O)c1sc2ncnc(N3CCN(CC3)c3ccccn3)c2c1C

CCN(CC)C(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1

Cc1c(sc2nc(C)nc(N3CCN(CC3)c3ccccn3)c12)C(=O)N1CCN(CC1)c1ccccc1F

COc1ccccc1N1CCN(CC1)C(=O)C1CCCN(C1)S(=O)(=O)c1ccc2n(C)c(=O)oc2c1

Cc1cccc(N2CCN(CC2)C(=O)CCCCCn2c(=S)[nH]c3ccc(cc3c2=O)N2CCOCC2)c1C

CCc1cc(C(=O)NC2CCCN(Cc3ccccc3F)C2)n(C)n1

COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)C2CC2)cc1OC

COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(C)n2)cc1OC

CCC(NC(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1)c1ccncc1

Cn1cc(cc1C(=O)NC(C)(C)C)S(=O)(=O)N1CCc2ccccc12

Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(F)cc2)c1

O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1[nH]nc-2c1CCc1ccccc-21

CCOC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2SC(C)CN(C(C)=O)c2c1

CN(C)S(=O)(=O)N1CCC(CC1)Oc1cccc(c1)C(=O)NC1CCCCC1

Nc1ccc(cc1)S(=O)(=O)Nc1nccc(\C=C\c2cccc(Br)c2)n1

O=S(=O)(Nc1cccc2cccnc12)c1ccccc1

CC(Sc1nnc2c(n1)[nH]c1ccccc21)C(=O)N(C)C1CCCCC1

CC(Sc1nnc2c(n1)[nH]c1ccccc21)C(=O)NC1CCCCC1

Cc1oc(nc1CSCC(=O)NC1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)cc1

COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)CCS(=O)(=O)c1ccccc1

CCOc1cc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OCCOc1cccc(OC)c1 |w:6.5,c:13,t:10|

CC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1

Cc1sc2ncnc(N3CCN(CC3)S(=O)(=O)c3ccc(Br)cc3)c2c1C

COc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C

Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1

Cc1c(sc2nc(C)nc(N3CCN(CC3)c3ccccn3)c12)C(=O)N1CCN(CC1)c1ccc(F)cc1

COc1ccc(CCNC(=O)c2ccc3SCCN(Cc4ccccc4)c3c2)cc1OC

CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1

CCc1ccc(cc1S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1)-c1cc(C)no1

Clc1ccc2Oc3ncccc3C(=O)N(CC(=O)NCCCc3ccccc3)c2c1

Cc1nc(Nc2cnc(\C=C\c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc(n1)N1CCNCC1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(\C=C\c4cnc(Nc5cc(nc(C)n5)N5CCNCC5)cn4)c3)cc2C(F)(F)F)CC1

CCCCc1nc(N2CCN(CC2)C(=O)c2ccco2)c(C#N)c2CCCCc12

Cc1cc(c(C)cc1Br)S(=O)(=O)NCc1ccncc1

COc1cc(ccc1Br)S(=O)(=O)NCc1ccncc1

CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1

CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(c1)[N+]([O-])=O

CCn1nc(C)c(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)c1C

Cc1ccc(cc1)-c1csc(n1)N1CCN(CCCn2c(nc3ccccc23)-c2ccncc2)CC1

COc1cccc(OCc2cc(no2)C(=O)NCc2cnc3ccccn23)c1

Cc1cc(ccc1NC(=O)COc1ccccc1Cl)C(=O)Nc1ccccc1C(O)=O

COc1ccc(NS(=O)(=O)c2ccc3oc(SC(C)C(N)=O)nc3c2)cc1

COc1ccc(cc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1

CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1

COc1ccc(CC(=O)Nc2ccncc2Cl)cc1

COCCN(Cc1ccccc1)C(=O)c1cc(nc2ccccc12)-c1ccc(OC)c(OC)c1

CC(=NNC(=O)c1cc(Br)ccc1O)c1ccccn1 |w:2.2|

Clc1ccc(cc1)C(=O)NN=Cc1ccccn1

O=C(C1C(N(C(=O)C1=O)c1nccs1)c1ccccc1)c1ccc2OCCOc2c1

CC(=NNC(=O)c1ccccc1F)c1ccccn1 |w:2.2|

[O-][N+](=O)c1ccc(\C=N\NC(=O)C2COc3ccccc3O2)s1

Clc1ccc(CC(=O)Nc2ccncc2Cl)c(Cl)c1

CC(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1

NC(=O)c1c(NC(=O)C(=O)N2CCOCC2)sc2CCCCc12

Cc1nc2cc(NC(=O)c3ccc(s3)[N+]([O-])=O)ccc2s1

[#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#7]\[#6](=[#6](/Cl)Cl)S(=O)(=O)c1ccc(-[#6])cc1

COc1ccc(C)cc1NC(=O)CSc1ccc(nn1)-c1ccco1

Cc1nc(C)c(s1)-c1ccc(SCC(=O)Nc2cccc(Cl)c2)nn1

COc1ccc(C)cc1NC(=O)CSc1ccc(nn1)-c1sc(C)nc1C

COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F

COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1ccc(F)cc1

COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1ccccc1

Nc1cc(nn1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)-c1ccccc1

COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1ccc(Cl)cc1

COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1ccc(cc1)C(C)(C)C

Nc1cc(nn1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)-c1ccc(Cl)cc1

CCCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

Nc1nc2ccccc2n1S(=O)(=O)c1ccc(OC(F)(F)F)cc1

CC(C)c1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12

Nc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1

Nc1nc2ccccc2n1S(=O)(=O)c1cccc2ccccc12

Cc1ccccc1S(=O)(=O)n1c(N)nc2ccccc12

Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1C#N

Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1

Nc1cc(nn1S(=O)(=O)c1ccc(F)c(Cl)c1)-c1ccccc1

COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O

COc1ccc(cc1)-c1cc(N)n(n1)S(=O)(=O)c1ccc(F)c(C)c1

CN(C(c1c[nH]c2ccccc12)c1ccccc1)C(=O)c1ccccc1

CC(C)C(=O)N(C)C(c1c[nH]c2ccccc12)c1ccccc1

Nc1nc2ccccc2n1S(=O)(=O)c1ccc(cc1)C(F)(F)F

Nc1nc2ccccc2n1S(=O)(=O)c1ccc(cc1)C#N

Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N)C(F)(F)F)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4c(c3)[nH][nH]c4=O)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cc(F)c4c(c3)[nH][nH]c4=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cc(F)c4c(c3)[nH][nH]c4=O)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4NC(=O)N(C)Cc4c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4NC(=O)N(C)Cc4c3)C(=O)c2c1F |r|

Ic1ccc2CN(C[C@@]3(NC(=O)NC3=O)C#Cc3cccnc3)C(=O)c2c1 |r|

Cn1cc(cn1)-c1ccc2CN(C[C@@]3(NC(=O)NC3=O)C#Cc3cccnc3)C(=O)c2c1 |r|

Cn1cc(cn1)-c1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccnc3)C(=O)c2c1 |r|

CSc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccnc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(O)C3CCN(C)CC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4n(CCN(C)C)nc(N)c4c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4n(C)nc(N)c4c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3cc(N)n(C)n3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3cc(N)[nH]n3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4n(C)[nH]c(=O)c4c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4c(c3)n(C)[nH]c4=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4c(c3)[nH][nH]c4=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4c(N)nn(C)c4c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4c(C)n[nH]c4c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4c(CN(C)C)n[nH]c4c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4c(n[nH]c4c3)-c3ccncc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CC4CCN(C)CC4)nc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)C3CCN(C)CC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(O)CCNCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(O)CCNCC3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(CN)N3CCC(C3)NC(=O)OC(C)(C)C)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(CN)N3CCC(C3)NC(=O)OC(C)(C)C)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(CN)N3CCC(N)C3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(CN)N3CCC(N)C3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)N3CCNCC3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(c3)-c3ccc(O)c(n3)-c3cn[nH]c3)C(=O)c2c1 |r|

CCN1CCN(CC1)C(=O)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=O)N3CCN(CC3)C3CC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=O)N3CCN(CC3)C3CCCCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=O)N3CCC(CC3)N3CCCCC3)C(=O)c2c1 |r|

CCN1CCN(CC1)C(=O)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)c(F)c3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CN4CCOCC4)nc3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CN4CCSCC4)nc3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CN4CCCCC4)nc3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CN4CCc5ccc(F)cc5C4)nc3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3ccccc3O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3O)-c3ccncc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3O)-c3cccnc3)C(=O)c2c1 |r|

CCN1CCN(CC1)c1ccc(OC)c(n1)-c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3O)-c3cnn(C)c3)C(=O)c2c1 |r|

CCN1CCN(Cc2ccc(cc2)C#C[C@]2(CN3Cc4ccc(OC)c(F)c4C3=O)NC(=O)NC2=O)CC1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3OC(C)=O)-c3cccnc3)C(=O)c2c1 |r|

CCN1CCN(CC1)c1ccc(O)c(n1)-c1ccc(cc1F)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

CCN1CCN(Cc2ccc(cn2)C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)CC1 |r|

CCN1CCN(Cc2ccc(cn2)C#C[C@]2(CN3Cc4ccc(OC)c(F)c4C3=O)NC(=O)NC2=O)CC1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CN4CCN(CC4)c4ccncc4)nc3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CN4CCN(CC4)c4nccs4)cc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CN4CCN(CC4)c4ccncc4)cc3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CN4CCN(CC4)C4CCCCC4)cc3)C(=O)c2c1F |r|

CCN1CCN(Cc2ccc(cc2F)C#C[C@]2(CN3Cc4ccc(OC)c(F)c4C3=O)NC(=O)NC2=O)CC1 |r|

CCN1CCN(CC1)C(C)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)c(F)c3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@@]3(NC(=O)NC3=O)C#Cc3ccc(CN4CCN(CC4)C4CCCCC4)cc3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3O)-c3cnn(C)c3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(c(F)c3)-c3nc(ccc3O)-c3cnn(C)c3)C(=O)c2c1F |r|

CCC(=O)Oc1ccc(nc1-c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O)-c1cnn(C)c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3OC(=O)C(C)C)-c3cnn(C)c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3OC(=O)C(C)(C)C)-c3cnn(C)c3)C(=O)c2c1 |r|

CCN1CCN(CC1)c1cccc(n1)-c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)c(F)c3C2=O)NC(=O)NC1=O |r|

CCN1CCN(CC1)c1cccc(n1)-c1ccc(cc1F)C#C[C@]1(CN2Cc3ccc(OC)c(F)c3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3cccc(n3)N3CCN(CC3)C3CCCCC3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(c(F)c3)-c3cccc(n3)N3CCN(CC3)C3CCCCC3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3cccc(n3)N3CCOCC3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(c(F)c3)-c3cccc(n3)N3CCOCC3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccc(n3)N3CCSCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3cccc(n3)N3CCSCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3cccc(n3)N3CCSCC3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3ccc(cc3)-c3cccc(n3)N3CCSCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3O)-c3cccnc3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(c(F)c3)-c3nc(ccc3O)-c3cccnc3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3nc(ccc3O)N3CCC(=O)CC3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(c(F)c3)-c3nc(ccc3OC(=O)C(C)(C)C)-c3cnn(C)c3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3ncccc3OC(=O)C(C)(C)C)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3ncccc3O)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)-c3cnccc3C)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)-c3cnccc3OC)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(CNS(C)(=O)=O)NC(=O)NC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-n3cnc(CCNC(C)=O)c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)-n3cnc(CCNC(C)=O)c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(C4=NCCN4)c(C)c3)C(=O)c2c1 |r,t:23|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)N3CCNC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-n3ccnc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-n3cncn3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)-c3cccc(C)c3O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)-c3ccc(C)[nH]c3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(c(F)c3)C3(C)NC(=O)NC3=O)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3c(C)[nH]nc3N)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4CCC5(NC(=O)NC5=O)c4c3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(Nc4c(NCCN5CCOCC5)c(=O)c4=O)cc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(Nc4c(NCCN(C)C)c(=O)c4=O)cc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(Nc4c(N)c(=O)c4=O)cc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(C(N=O)N4CCNC[C@@H]4C)c(F)c3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(F)c3)C(=O)c2c1F |r|

CCN1CCN(C(N=O)c2ccc(cc2F)C#C[C@]2(CN3Cc4ccc(OC)c(F)c4C3=O)NC(=O)NC2=O)[C@@H](C)C1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cc(F)cnc3Cl)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(CCN(C)CC3)C#N)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(CCN(C)CC3)C(N)=O)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)-c3cccc(Cl)c3O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)-c3ccc(F)cc3O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(N4C(=O)NC5(CC5)C4=O)c(F)c3)C(=O)c2c1F |r|

COc1ccc2CN(CC3(NC(=O)NC3=O)C#Cc3cccc4c3CCC43NC(=O)NC3=O)C(=O)c2c1

CCN1CCN(CC1)C(=O)C1CN(C(=O)C1)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)-c3n[nH]c(=O)n3C3CCN(C)CC3)C(=O)c2c1 |r|

CCN1CCN(CC1)C(=O)C1CCC(=O)N1c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)N3C(CCC3=O)C(=O)NC3CC3)C(=O)c2c1 |r|

CCN1CCN(CC1)C(=O)C1CCC(=O)N1c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)c(F)c3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)N3C(CCC3=O)C(=O)NC3CC3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)N3C(CCC3=O)C(=O)N3CCN(C)CC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)N3C(=O)CCC3(C(O)=O)C(C)(C)O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(NC(=O)C4CCN(C)CC4)c3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(NC(=O)C4CCN(C)CC4)c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(NC(=O)C4CCN(C)CC4)cc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)C(=O)N3CCN(C)CC3)C(=O)c2c1 |r|

CCN1CCN(CC1)C(=O)c1ccc(OC)c(n1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)C(=O)N3CCNCC3)C(=O)c2c1 |r|

CCNc1nnc(o1)-c1ccc(OC)c(n1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-n3cn[nH]c3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-n3c(C)n[nH]c3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-n3c(n[nH]c3=O)-c3cccnc3)C(=O)c2c1 |r|

CCN1CCN(CC1)C(=O)C1CCC(=O)N1c1ccc(OC)c(n1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccccc3C=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3nnc(N)o3)C(=O)c2c1 |r|

CCNc1nnc(o1)-c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(N)ccc3O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)-c3cccc(O)c3)C(=O)c2c1 |r|

CCN1CCN(CC1)C(=NO)c1cnc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)c(OC)c1 |r,w:9.10|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ncc(cc3OC)C(N=O)N3CCN(CC3)c3cnccn3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)N3C[C@@H](O)CC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)-c3cccc(c3)C#N)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)N3[C@H](CO)CCC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)N3C[C@H](O)CC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)N3C(C)CCC3=O)C(=O)c2c1 |r|

COCCN1CCN(CC1)c1ccc(OC)c(n1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)N3CCC3=O)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)N3CCCCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)-c3cnc(nc3)N(C)C)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)-c3ccc(nc3)N3CCNCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)-c3ccc(cc3)S(=O)(=O)NC3CC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)-c3cncc(c3)C#N)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)-c3ccc(nc3)C#N)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)N3[C@@H](CO)CCC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)N(C3CCNCC3)c3cccnc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(c3ccc[nH]3)c3ccc[nH]3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CCN)cc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)N3CCNCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ncc(NCc4nccc(=O)[nH]4)cc3OC)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3nc(ccc3OC)N3CCN(CC3)c3ccncc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(c3)-c3ccc(N)nc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(c3)-c3cn[nH]c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(c3)-c3ccc(cc3)C(N)=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cnc(N)nc3N)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cnc(nc3N)N3CCC(=O)CC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)N3CCC(=O)CC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(c3)-c3ccc(o3)C(N)=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4c(CCC44NC(=O)NC4=O)c3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(CN)NC(=O)NC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(CN4Cc5cc(O)ccc5C4=O)NC(=O)NC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)[C@@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)[C@@]3(CN)NC(=O)NC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cnc4ccccc4c3CO)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cc(ccc3C)C(N)=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CCNC(=O)C(F)(F)F)s3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3=NCCN3)C(=O)c2c1 |r,t:26|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3OC)-c3nnc[nH]3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3OC)C(=O)NO)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3OC)-n3ccnc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cc(Br)ccc3O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(OC)nc3OC)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cnc(C)[nH]c3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3c(C)ncc(C(O)=O)c3O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(c3)-c3csc(N)n3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)-c3cc[nH]n3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(c3)-c3cc[nH]n3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4c(N)n[nH]c4c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4[nH]nc(N)c4c3)C(=O)c2c1 |r|

CCN1CCN(CC1)c1n[nH]c2ccc(cc12)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

CCN1CCN(CC1)c1n[nH]c2cc(ccc12)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(NS(C)(=O)=O)c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(NS(=O)(=O)C(C)C)c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(NC(C)=O)c3)C(=O)c2c1 |r|

CCOC(=O)Nc1cncc(c1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3c[nH]c4nc(=O)oc4c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)c3ccc(F)cc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)C3CCN(C)CC3)C(=O)c2c1 |r|

COc1ccc2CN(CC3(NC(=O)NC3=O)C#Cc3cccnc3)C(=O)c2c1Cl

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cc(Cl)cnc3N)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccnc(SC)n3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@@]3(NC(=O)NC3=O)C#Cc3ccnc(SC)n3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(F)c(c3)C(O)(O)C(F)(F)F)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(O)(O)C(F)(F)F)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3noc(C)n3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(c3)-c3noc(n3)C(N)=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(c3)C(=O)NN)C(=O)c2c1 |r|

COc1ccc2CN(C[C@@]3(NC(=O)NC3=O)C#Cc3cncc(c3)C(=O)NN)C(=O)c2c1 |r|

COc1ccc2CN(C[C@@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)C(=O)NS(C)(=O)=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)C(=O)NS(C)(=O)=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@@]3(NC(=O)NC3=O)C#Cc3cnc(N)c(c3)C(O)=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cnc(N)c(c3)C(=O)NS(C)(=O)=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@@]3(NC(=O)NC3=O)C#Cc3ccc(s3)C(O)=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(NC(=O)NC3=O)C3CCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(s3)C3(C)NC(=O)NC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3csc(c3)C3(C)NC(=O)NC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4oc(cc4c3)C3(C)NC(=O)NC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4oc(c(C)c4c3)C3(C)NC(=O)NC3=O)C(=O)c2c1 |r|

CCN1CCN(CC1)C(N=O)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCSCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCCN(C)CC3)C(=O)c2c1 |r,w:25.27|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCC3)C(=O)c2c1 |r,w:25.27|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccc(c3)C(N=O)N3CCN(C)CC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccc(c3)C(N=O)N3CCOCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCN(CC3)C3CC3)C(=O)c2c1 |r|

CCN1CCN(CC1)C(N=O)c1cncc(c1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(c3)C(N=O)N3CCCN(C)CC3)C(=O)c2c1 |r|

CCCCN1CCN(CC1)C(=NO)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r,w:11.12|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCN(CC3)C3CCCCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCN(CC3)C3CCCCCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCN(CC3)c3ccccc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc-4c(c3)C(C)Oc3cccnc-43)C(=O)c2c1 |r|

CCN1CCN(CC1)C(CO)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCCN(CC3)C(C)C)C(=O)c2c1 |r,w:25.27|

CON=C(N1CCOCC1)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r,w:2.1|

CCN1CCN(Cc2ccc(cc2)C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)CC1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3ncccc3O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CN=Nc4ccccc4)cc3)C(=O)c2c1 |r,w:23.23|

CCN1CCN(CC1)c1ccc(O)c(n1)-c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCOCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCN(C)CC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCC(=O)CC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCCCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(s3)C(N=O)N3CCN(C)CC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(s3)C(N=O)N3CCOCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)C(N=O)N3CCN(C)CC3)C(=O)c2c1 |r|

CCN1CCN(CC1)C(N=O)c1ccc(cn1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3C)C3(C)NC(=O)NC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(C)NC(=O)NC3=S)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)[C@H]3CCC(=O)N3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(CC3)C(N)=O)C(=O)c2c1 |r|

CNC(=O)C1(CC1)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(C)(C)C(N)=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccnc3-c3cnn(C)c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccnc3-c3c(C)nn(C)c3C)C(=O)c2c1 |r,wU:9.16,wD:9.8,(8.57,-.43,;7.23,.34,;5.9,-.43,;5.9,-1.97,;4.57,-2.74,;3.23,-1.97,;1.77,-2.45,;.86,-1.2,;-.68,-1.2,;-1.45,-2.53,;-2.99,-2.53,;-3.46,-4,;-4.8,-4.77,;-2.22,-4.9,;-.97,-4,;.36,-4.77,;-1.85,-1.05,;-2.24,.44,;-2.64,1.93,;-1.55,3.02,;-1.95,4.51,;-3.44,4.9,;-4.53,3.81,;-4.13,2.33,;-5.22,1.24,;-4.74,-.23,;-3.41,-1,;-5.99,-1.13,;-7.23,-.23,;-8.57,-1,;-6.76,1.24,;-7.53,2.57,;1.77,.05,;1,1.38,;3.23,-.43,;4.57,.34,)|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#C)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccnc3-c3cn[nH]c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccnc3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)-c3c(C)nn(C)c3C)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)-c3cnn(C)c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccnc3-c3cccnc3)C(=O)c2c1 |r|

COC(=O)C(N1CCCNCC1)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N3CCCNCC3)C(N)=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N3CCCNCC3)C(O)=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccnc3C)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(C)nc3)C(=O)c2c1F |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)N=C(N)NC#N)C(=O)c2c1 |r,w:24.25|

CCN1CCC(CC1)(C(=O)OC)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)-c3ccccc3O)C(=O)c2c1 |r|

CCN1CCC(CC1)(C(O)=O)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

CCC1(NC(=O)NC1=O)c1ccc(cc1)C#CC1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)C3(C)NC(=O)NC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CC4(C)NC(=O)NC4=O)cc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(c(F)c3)C3(C)NC(=O)NC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CC(N)=O)cc3)C(=O)c2c1 |r|

COC(=O)Cc1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|

COc1ccc2CN(CC3(NC(=O)NC3=O)C#Cc3cccnc3N3CCN(C)CC3)C(=O)c2c1

COc1ccc2CN(CC3(NC(=O)NC3=O)C#Cc3cccnc3NCCN(C)C)C(=O)c2c1

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccnc3N3CCOCC3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(NCCN(C)C)nc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccnc3-c3cncnc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccnc3-c3ccncc3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)-c3cn[nH]c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCNC[C@@H]3C)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3[C@@H](C)CNC[C@H]3C)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)N3CCCCC3=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3cn[nH]c3N)C(=O)c2c1 |r|

COc1ccc2CN(CC3(NC(=O)NC3=O)C#Cc3ccc(cc3)N=C(NC#N)NC3CC3)C(=O)c2c1 |w:24.25|

COc1ccc2CN(CC3(NC(=O)NC3=O)C#Cc3cnc(nc3N)N3CCC4(CC3)NC(=O)NC4=O)C(=O)c2c1

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(nc3)N3CCC4(CC3)NC(=O)NC4=O)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4c(CCCC44NC(=O)NC4=O)c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4c(CC[C@]44NC(=O)NC4=O)c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4c(CC[C@@]44NC(=O)NC4=O)c3)C(=O)c2c1 |r|

COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4c(CCC44NC(=O)NC4=O)c3)C(=O)c2c1 |r|

CCN1CCN(CC1)C(N=O)c1ccc(cc1)C#C[C@]1(CN2CCc3cc(OC)ccc3C2=O)NC(=O)NC1=O |r|

COc1ccc2C(=O)N(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCCN(C)CC3)CCc2c1 |r,w:26.28|

COc1ccc2CCN(C[C@]3(NC(=O)NC3=O)C#Cc3cccnc3)C(=O)c2c1 |r|

CCCCCCCCCCCCCCO[C@H]1[C@H](O)[C@@H](C[N+](C)(C)C2CCCC2)O[C@H](OC)[C@@H]1OCCCCCCCCCCCCCC

COC1C(COC(=O)CCC(=O)OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)OC(O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

CCCCCCCCCCCCCCO[C@H]1C(O)O[C@H](COC(=O)CCC(=O)OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)C(OC)[C@@H]1OCCCCCCCCCCCCCC

CCCCCCCCCCCCCCO[C@H]1[C@@H](OC)O[C@H](COC(=O)CCC(=O)OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)[C@@H](OC)[C@@H]1OCCCCCCCCCCCCCC

[O-][N+](=O)c1cc(N\N=C2\C(=O)N(N=C2c2ccccc2)c2nc(cs2)-c2ccccc2)ccc1Cl |c:12|

c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O

CCn1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O

CCn1c(=O)n(-c2ccc(OC)c(OC)c2)c2c3cccc(OC)c3ncc2c1=O

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(C(C)C)c1=O

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccs2)c1=O

CCCn1c2c3cccc(OC)c3ncc2c(=O)n(CC)c1=O

CCCCn1c2c3cccc(OC)c3ncc2c(=O)n(CC)c1=O

CCn1c(=O)n(CC(C)C)c2c3cccc(OC)c3ncc2c1=O

CCn1c(=O)n(C2CCCC2)c2c3cc(Cl)cc(OC)c3ncc2c1=O

CCn1c(=O)n(C2CCCC2)c2c3cc(F)cc(OC)c3ncc2c1=O

CCn1c(=O)n(C2CCCC2)c2c3cccc(Cl)c3ncc2c1=O

CCCc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(CC)c1=O

CCn1c(=O)n(C2CCCC2)c2c3cccc(C(C)C)c3ncc2c1=O

CCn1c(=O)n(C2CCCC2)c2c3cccc(OC(F)(F)F)c3ncc2c1=O

CCn1c(=O)n(C(C)C)c2c3cccc(OC)c3ncc2c1=O

CCC(C)n1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccccc2)c1=O

CCn1c(=O)n(C2CCCC2)c2c3cccc(C)c3ncc2c1=O

CCn1c(=O)n(C2CCC(C)CC2)c2c3cccc(OC)c3ncc2c1=O |(5.33,1.93,;4,2.69,;2.67,1.92,;1.33,2.69,;1.33,4.23,;,1.92,;-1.33,2.69,;-1.33,4.23,;-2.67,5,;-4,4.23,;-5.33,5,;-4,2.69,;-2.67,1.93,;,.38,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-2.67,-4.23,;-4,-5,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;1.33,-.39,;2.67,.38,;4,-.39,)|

CCOC(=O)Cn1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O

CCn1c(=O)n(CCCF)c2c3cccc(OC)c3ncc2c1=O

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(C)c1=O

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cc(C)cs2)c1=O

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(C)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc(C)cc2)c1=O

COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2cccc(Cl)c2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;1.33,.38,;2.67,-.38,)|

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(Cl)c2)c1=O

CCc1cccc(c1)-n1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O

COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2cccc(C)c2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;1.33,.38,;2.67,-.38,)|

CCCCn1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(C)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O

COc1cccc2c1ncc1c2n(C2CCC(F)(F)CC2)c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCNCC2)c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCN(CC2)C(C)=O)c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)c2ccccc2)c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)C(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)N(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)C2CCS(=O)(=O)C2)c(=O)n(-c2cccc(Cl)c2)c1=O

CCNC(=O)N1CCC(CC1)n1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)NC(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2ccccc2Cl)c1=O |(-4.67,-5,;-3.33,-4.23,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-4.67,4.23,;-6,5,;-4.67,2.69,;-3.33,1.93,;.67,2.69,;.67,4.23,;2,1.93,;3.33,2.69,;3.33,4.23,;4.67,5,;6,4.23,;6,2.69,;4.67,1.93,;4.67,.38,;2,.38,;3.33,-.38,)|

COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2ccc(Cl)cc2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;1.33,.38,;2.67,-.38,)|

COc1cccc2c1ncc1c2n(C2CC[C@@H](CC2)C(O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r,wU:16.21,(-4.67,-5.78,;-3.33,-5,;-3.33,-3.47,;-4.67,-2.69,;-4.67,-1.15,;-3.33,-.38,;-2,-1.15,;-2,-2.69,;-.67,-3.47,;.67,-2.69,;.67,-1.15,;-.67,-.38,;-.67,1.15,;-2,1.93,;-2,3.47,;-3.33,4.23,;-4.67,3.47,;-4.67,1.93,;-3.33,1.15,;-6,4.23,;-7.34,3.47,;-6,5.78,;.67,1.93,;.67,3.47,;2,1.15,;3.33,1.93,;3.33,3.47,;4.67,4.23,;6,3.47,;6,1.93,;7.34,1.15,;4.67,1.15,;2,-.38,;3.33,-1.15,)|

COc1cccc2c1ncc1c2n(C2CCCCC2)c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)n(-c2ccc3OCOc3c2)c1=O

COc1cccc2c1ncc1c2n(C2CCNCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O

COc1cccc2c1ncc1c2n(C2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2ccc3OCOc3c2)c1=O

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(c2)C#N)c1=O

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(SC)c2)c1=O

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(c2)S(C)(=O)=O)c1=O

COc1cccc2c1ncc1c2n([C@@H]2CCN(C2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O |r|

COc1cccc2c1ncc1c2n([C@@H]2CCNC2)c(=O)n(-c2cccc(Cl)c2)c1=O |r|

COc1cccc2c1ncc1c2n([C@@H]2CCN(C2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r|

COc1cccc2c1ncc1c2n([C@H]2CCN(C2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O |r|

COc1cccc2c1ncc1c2n([C@H]2CCNC2)c(=O)n(-c2cccc(Cl)c2)c1=O |r|

COc1cccc2c1ncc1c2n([C@H]2CCN(C2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r|

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCCOc3c2)c1=O

COC(=O)N1CCC(CC1)n1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(CC2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O

COc1cccc2c1ncc1c2n(C2CC[C@@H](CC2)NS(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r,wU:16.21,(-4,-5.01,;-2.67,-4.24,;-2.67,-2.7,;-4,-1.93,;-4,-.39,;-2.67,.38,;-1.33,-.39,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;,1.92,;-1.33,2.69,;-1.33,4.23,;-2.67,5.01,;-4,4.23,;-4,2.69,;-2.67,1.92,;-5.33,5,;-6.67,4.23,;-8,5,;-7.44,2.9,;-5.9,2.9,;1.33,2.69,;1.33,4.23,;2.67,1.92,;4,2.69,;4,4.23,;5.33,5,;6.67,4.23,;6.67,2.69,;8,1.92,;5.33,1.92,;2.67,.38,;4,-.39,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)COC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(1.64,4.39,;1.64,2.85,;2.97,2.08,;.3,2.08,;.3,.54,;1.64,-.23,;1.64,-1.77,;.3,-2.54,;-1.03,-1.77,;-1.03,-.23,;-2.36,.54,;-2.36,2.08,;-3.7,-.23,;-5.03,.54,;-5.03,2.08,;-6.36,2.85,;-7.7,2.08,;-7.7,.54,;-6.36,-.23,;-9.03,2.85,;-10.37,2.08,;-9.03,4.39,;-10.37,3.62,;2.97,-2.54,;3.13,-4.07,;4.64,-4.39,;5.41,-3.06,;6.91,-2.74,;7.39,-1.27,;6.36,-.13,;4.85,-.45,;4.38,-1.91,;8.88,-.87,;10.37,-.48,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccnc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC1CC2(C1)CC(C2)C(C)(C)O)-c1ccc2cc(cnn12)C#N |(3.52,1.76,;2.19,2.53,;2.19,4.07,;.86,1.76,;.86,.22,;2.19,-.55,;2.19,-2.09,;.86,-2.86,;-.48,-2.09,;-.48,-.55,;-1.81,.22,;-1.81,1.76,;-3.14,-.55,;-4.48,.22,;-4.88,1.71,;-6.36,1.31,;-5.97,-.18,;-6.76,2.8,;-8.25,2.4,;-7.85,.91,;-9.58,3.17,;-10.92,2.4,;-9.58,4.71,;-10.92,3.94,;3.52,-2.86,;3.68,-4.39,;5.19,-4.71,;5.96,-3.38,;7.47,-3.06,;7.94,-1.59,;6.91,-.45,;5.41,-.77,;4.93,-2.23,;9.43,-1.19,;10.92,-.79,)|

CC(C)Nc1cc(ncc1C(=O)NC1CCOCC1)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NC1COC1)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CNC(=O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NCC1CCS(=O)(=O)C1)-c1ccc2cc(cnn12)C(N)=O

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NS(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@H](N)CC1)-c1ccc2cc(cnn12)C#N |r,wU:16.17,wD:13.13,(.97,4.39,;.97,2.85,;2.3,2.08,;-.36,2.08,;-.36,.54,;.97,-.23,;.97,-1.77,;-.36,-2.54,;-1.7,-1.77,;-1.7,-.23,;-3.03,.54,;-3.03,2.08,;-4.36,-.23,;-5.7,.54,;-5.7,2.08,;-7.03,2.85,;-8.37,2.08,;-9.7,2.85,;-8.37,.54,;-7.03,-.23,;2.3,-2.54,;2.47,-4.07,;3.97,-4.39,;4.74,-3.06,;6.25,-2.74,;6.72,-1.27,;5.69,-.13,;4.19,-.45,;3.71,-1.91,;8.21,-.87,;9.7,-.48,)|

CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(2.3,4.39,;2.3,2.85,;3.64,2.08,;.97,2.08,;.97,.54,;2.3,-.23,;2.3,-1.77,;.97,-2.54,;-.36,-1.77,;-.36,-.23,;-1.7,.54,;-1.7,2.08,;-3.03,-.23,;-4.36,.54,;-4.36,2.08,;-5.7,2.85,;-7.03,2.08,;-7.03,.54,;-5.7,-.23,;-8.37,2.85,;-9.7,2.08,;-11.03,2.85,;-9.7,.54,;3.64,-2.54,;3.8,-4.07,;5.31,-4.39,;6.08,-3.06,;7.58,-2.74,;8.06,-1.27,;7.03,-.13,;5.52,-.45,;5.04,-1.91,;9.55,-.87,;11.03,-.48,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2CCC(C1)N2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2CCC(C1)N2S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

CC(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C1=NNNN1 |r,t:32|

CC(C)Nc1cc(ncc1C(=O)NC1CC1CO)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)CC1CC1CO)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NCCS(N)(=O)=O)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O)-c1ccc2cc(cnn12)C#N

CNC(=O)[C@H]1CCC(CC1)NC(=O)c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N |r,wU:4.3,(-11.03,2.85,;-9.7,2.08,;-8.37,2.85,;-8.37,4.39,;-7.03,2.08,;-5.7,2.85,;-4.36,2.08,;-4.36,.54,;-5.7,-.23,;-7.03,.54,;-3.03,-.23,;-1.7,.54,;-1.7,2.08,;-.36,-.23,;-.36,-1.77,;.97,-2.54,;2.3,-1.77,;2.3,-.23,;.97,.54,;.97,2.08,;2.3,2.85,;2.3,4.39,;3.64,2.08,;3.64,-2.54,;3.8,-4.07,;5.31,-4.39,;6.08,-3.06,;7.58,-2.74,;8.06,-1.27,;7.03,-.13,;5.52,-.45,;5.04,-1.91,;9.55,-.87,;11.03,-.48,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCNCC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C2CC1CNC2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C2CCC1CNC2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C2CC1CN(C2)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C2CCC1CN(C2)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H]2C[C@H]1CN2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NS(C)(=O)=O)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NC1(C)COC1)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NC1CCOC1)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CCOC1)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(N)=O)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1COC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NN1CCOCC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2CCC(C1)O2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(CO)CC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NCCC1COC1)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-c1ccc2cc(cnn12)C#N |r|

CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCOC[C@@H]1F)-c1ccc2cc(cnn12)C#N |r|

Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)nn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnsc1)-c1ccc2cc(cnn12)C#N |r|

COC(=O)C1CC2(CC(C2)NC(=O)c2cnc(cc2NC(C)C)-c2ccc3cc(cnn23)C#N)C1

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCCC(O)C1)-c1ccc2cc(cnn12)C#N |r|

COC1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCCC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCC[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NNC(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NNCC(C)(C)O)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cn[nH]c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC1CS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NCC1CS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NCC1CCS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CCS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCS(=O)(=O)CC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC1CS(=O)(=O)C1)-c1ccc2cc(cnn12)C(N)=O

CC(C)Nc1cc(ncc1C(=O)NCC1CS(=O)(=O)C1)-c1ccc2cc(cnn12)C(N)=O

CC(C)(O)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOC(C)(C)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(COC2)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)C1COC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(F)F)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NCCCS(C)(=O)=O)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)C1COC1)-c1ccc2cc(cnn12)C#N

COC(C)(C)CCNC(=O)c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NCCNS(C)(=O)=O)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)N[C@H]1CCC(C)(O)CC1)-c1ccc2cc(cnn12)C#N |r,wU:13.13,(2.3,2.08,;.97,2.85,;.97,4.39,;-.36,2.08,;-.36,.54,;.97,-.23,;.97,-1.77,;-.36,-2.54,;-1.7,-1.77,;-1.7,-.23,;-3.03,.54,;-3.03,2.08,;-4.36,-.23,;-5.7,.54,;-7.03,-.23,;-8.37,.54,;-8.37,2.08,;-9.7,2.85,;-8.37,3.62,;-7.03,2.85,;-5.7,2.08,;2.3,-2.54,;2.47,-4.07,;3.97,-4.39,;4.74,-3.06,;6.25,-2.74,;6.72,-1.27,;5.69,-.13,;4.19,-.45,;3.71,-1.91,;8.21,-.87,;9.7,-.48,)|

CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCC1)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NCCS(C)(=O)=O)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2CCC1O2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1C[C@H]2CC[C@@H]1O2)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCOCC1)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NC1CC2(COC2)C1)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(O)CC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CN(C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(CCC2)C1)-c1ccc2cc(cnn12)C#N |r|

COCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC2CCC1C2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCS(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCCS(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

Cn1cc(CNc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCc1c[nH]cn1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC[C@H]1CCC(=O)N1)-c1ccc2cc(cnn12)C#N |r|

Cc1noc(C)c1CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(C1)C1COC1)-c1ccc2cc(cnn12)C#N |r|

COCC1(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H]2C[C@H]1CN2S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

CN1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)C1CC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NCC(F)(F)C(C)(C)O)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-c1ccc2cc(cnn12)C#N |r|

COCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)Nc1cc(ncc1C(=O)N[C@H]1C[C@@](C)(O)C1)-c1ccc2cc(cnn12)C#N |r,wU:13.13,15.17,wD:15.16,(1.91,2.08,;.58,2.85,;.58,4.39,;-.75,2.08,;-.75,.54,;.58,-.23,;.58,-1.77,;-.75,-2.54,;-2.09,-1.77,;-2.09,-.23,;-3.42,.54,;-3.42,2.08,;-4.75,-.23,;-6.09,.54,;-7.58,.14,;-7.97,1.63,;-9.31,2.4,;-7.97,3.17,;-6.49,2.03,;1.91,-2.54,;2.07,-4.07,;3.58,-4.39,;4.35,-3.06,;5.86,-2.74,;6.33,-1.27,;5.3,-.13,;3.8,-.45,;3.32,-1.91,;7.82,-.87,;9.31,-.48,)|

CC(C)Nc1cc(ncc1C(=O)NCC1CCS(=O)(=O)CC1)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NCC1(O)CCS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NC1CCS(=O)(=O)C1)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)N[C@H]1C[C@@H](C1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:15.18,wD:13.13,(3.25,2.08,;1.91,2.85,;1.91,4.39,;.58,2.08,;.58,.54,;1.91,-.23,;1.91,-1.77,;.58,-2.54,;-.75,-1.77,;-.75,-.23,;-2.09,.54,;-2.09,2.08,;-3.42,-.23,;-4.75,.54,;-5.15,2.03,;-6.64,1.63,;-6.24,.14,;-7.97,2.4,;-9.31,1.63,;-10.64,2.4,;-9.31,.09,;3.25,-2.54,;3.41,-4.07,;4.91,-4.39,;5.68,-3.06,;7.19,-2.74,;7.67,-1.27,;6.64,-.13,;5.13,-.45,;4.65,-1.91,;9.15,-.87,;10.64,-.48,)|

CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(4.41,2.08,;3.07,2.85,;3.07,4.39,;1.74,2.08,;1.74,.54,;3.07,-.23,;3.07,-1.77,;1.74,-2.54,;.41,-1.77,;.41,-.23,;-.93,.54,;-.93,2.08,;-2.26,-.23,;-3.59,.54,;-3.59,2.08,;-4.93,2.85,;-6.26,2.08,;-6.26,.54,;-4.93,-.23,;-7.6,2.85,;-8.93,2.08,;-8.93,.54,;-10.26,2.85,;-11.03,4.18,;-11.8,2.85,;4.41,-2.54,;4.57,-4.07,;6.08,-4.39,;6.85,-3.06,;8.35,-2.74,;8.83,-1.27,;7.8,-.13,;6.29,-.45,;5.81,-1.91,;10.32,-.87,;11.8,-.48,)|

CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(4.97,1.7,;3.64,2.47,;3.64,4.01,;2.3,1.7,;2.3,.16,;3.64,-.61,;3.64,-2.15,;2.3,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,2.47,;-5.7,1.7,;-5.7,.16,;-4.36,-.61,;-7.03,2.47,;-8.37,1.7,;-8.37,.16,;-9.7,2.47,;-9.7,4.01,;-11.03,4.78,;-12.37,4.01,;-12.37,2.47,;-11.03,1.7,;4.97,-2.92,;5.13,-4.46,;6.64,-4.78,;7.41,-3.44,;8.92,-3.12,;9.39,-1.66,;8.36,-.51,;6.85,-.83,;6.38,-2.3,;10.88,-1.26,;12.37,-.86,)|

CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(4.3,2.08,;2.97,2.85,;2.97,4.39,;1.64,2.08,;1.64,.54,;2.97,-.23,;2.97,-1.77,;1.64,-2.54,;.3,-1.77,;.3,-.23,;-1.03,.54,;-1.03,2.08,;-2.36,-.23,;-3.7,.54,;-3.7,2.08,;-5.03,2.85,;-6.36,2.08,;-6.36,.54,;-5.03,-.23,;-7.7,2.85,;-9.03,2.08,;-9.03,.54,;-10.37,2.85,;-11.7,2.08,;-10.37,4.39,;-11.7,3.62,;4.3,-2.54,;4.47,-4.07,;5.97,-4.39,;6.74,-3.06,;8.25,-2.74,;8.72,-1.27,;7.69,-.13,;6.19,-.45,;5.71,-1.91,;10.21,-.87,;11.7,-.48,)|

CCn1cnc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn2CCCCc12)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOC1(C)C)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC12CCC(CC1)(CC2)NC(C)=O)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NC12CC(C1)(C2)NC(C)=O)-c1ccc2cc(cnn12)C#N

COCCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)C1(C)COC1)-c1ccc2cc(cnn12)C#N |r,wU:16.20,(4.58,2.08,;3.25,2.85,;3.25,4.39,;1.91,2.08,;1.91,.54,;3.25,-.23,;3.25,-1.77,;1.91,-2.54,;.58,-1.77,;.58,-.23,;-.75,.54,;-.75,2.08,;-2.09,-.23,;-3.42,.54,;-3.42,2.08,;-4.75,2.85,;-6.09,2.08,;-6.09,.54,;-4.75,-.23,;-7.42,2.85,;-8.76,2.08,;-8.76,.54,;-10.09,2.85,;-9,3.94,;-10.49,4.34,;-11.98,3.94,;-11.58,2.45,;4.58,-2.54,;4.74,-4.07,;6.25,-4.39,;7.02,-3.06,;8.52,-2.74,;9,-1.27,;7.97,-.13,;6.46,-.45,;5.99,-1.91,;10.49,-.87,;11.98,-.48,)|

CC(C)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:16.20,(4.3,2.08,;2.97,2.85,;2.97,4.39,;1.64,2.08,;1.64,.54,;2.97,-.23,;2.97,-1.77,;1.64,-2.54,;.3,-1.77,;.3,-.23,;-1.03,.54,;-1.03,2.08,;-2.36,-.23,;-3.7,.54,;-3.7,2.08,;-5.03,2.85,;-6.36,2.08,;-6.36,.54,;-5.03,-.23,;-7.7,2.85,;-9.03,2.08,;-9.03,.54,;-10.37,2.85,;-11.7,2.08,;-10.37,4.39,;-11.7,3.62,;4.3,-2.54,;4.47,-4.07,;5.97,-4.39,;6.74,-3.06,;8.25,-2.74,;8.72,-1.27,;7.69,-.13,;6.19,-.45,;5.71,-1.91,;10.21,-.87,;11.7,-.48,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(C)(F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-.75,;-8.37,.02,;-8.37,1.56,;-9.7,.79,;-7.03,-.75,;-7.03,-2.29,;-5.7,.02,;-4.36,-.75,;-3.03,.02,;-3.03,1.56,;-1.7,-.75,;-1.7,-2.29,;-.36,-3.06,;.97,-2.29,;.97,-.75,;-.36,.02,;-.36,1.56,;.97,2.33,;2.46,1.93,;2.86,3.42,;4.19,4.19,;2.46,4.91,;1.37,3.82,;2.3,-3.06,;2.47,-4.59,;3.97,-4.91,;4.74,-3.58,;6.25,-3.26,;6.72,-1.79,;5.69,-.65,;4.19,-.97,;3.71,-2.43,;8.21,-1.39,;9.7,-.99,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CC1(F)F)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)Nc1cc(ncc1C(=O)NC1CCS(=O)(=O)CC1)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C#N)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C#N)-c1ccc2cc(cnn12)C#N |r|

Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)sn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccccc1C#N)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nnc(o1)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cncnc1)-c1ccc2cc(cnn12)C#N |r|

Cc1nnc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)s1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1[C@H]2COC[C@@H]12)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1[C@H]2COC[C@@H]12)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC1CC2(CC(O)C2)C1)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCOC[C@H]1F)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCOC[C@@H]1F)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC1CC2(C1)CC(=O)C2)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NC1CC2(C1)CC(C)(O)C2)-c1ccc2cc(cnn12)C#N |(2.96,2.08,;1.63,2.85,;1.63,4.39,;.29,2.08,;.29,.54,;1.63,-.23,;1.63,-1.77,;.29,-2.54,;-1.04,-1.77,;-1.04,-.23,;-2.37,.54,;-2.37,2.08,;-3.71,-.23,;-5.04,.54,;-5.44,2.03,;-6.93,1.63,;-6.53,.14,;-7.33,3.12,;-8.81,2.72,;-9.58,4.05,;-10.35,2.72,;-8.42,1.23,;2.96,-2.54,;3.12,-4.07,;4.63,-4.39,;5.4,-3.06,;6.9,-2.74,;7.38,-1.27,;6.35,-.13,;4.84,-.45,;4.37,-1.91,;8.87,-.87,;10.35,-.48,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC(C)(O)CC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,(-9.7,-1,;-8.37,-.23,;-8.37,1.31,;-9.7,.54,;-7.03,-1,;-7.03,-2.54,;-5.7,-.23,;-4.36,-1,;-3.03,-.23,;-3.03,1.31,;-1.7,-1,;-1.7,-2.54,;-.36,-3.31,;.97,-2.54,;.97,-1,;-.36,-.23,;-.36,1.31,;.97,2.08,;.97,3.62,;2.3,4.39,;3.64,3.62,;4.97,4.39,;3.64,5.16,;3.64,2.08,;2.3,1.31,;2.3,-3.31,;2.47,-4.84,;3.97,-5.16,;4.74,-3.83,;6.25,-3.51,;6.72,-2.04,;5.69,-.9,;4.19,-1.22,;3.71,-2.68,;8.21,-1.64,;9.7,-1.25,)|

CN1CCC(CC1=O)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)C(=O)c1ccoc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NCc1ccc(=O)[nH]c1)-c1ccc2cc(cnn12)C#N

COC1(C)CN(C1)C(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(C)(O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H](C1)OC(=O)NC1CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.22,wD:17.17,(-9.72,-.39,;-8.38,.38,;-8.38,1.92,;-9.72,1.15,;-7.05,-.39,;-7.05,-1.93,;-5.71,.38,;-4.38,-.39,;-3.05,.38,;-3.05,1.92,;-1.71,-.39,;-1.71,-1.93,;-.38,-2.7,;.95,-1.93,;.95,-.39,;-.38,.38,;-.38,1.92,;.95,2.69,;2.44,2.29,;2.84,3.78,;1.35,4.18,;4.17,4.55,;5.51,3.78,;5.51,2.24,;6.84,4.55,;8.18,3.78,;8.95,2.45,;9.72,3.78,;2.29,-2.7,;2.45,-4.23,;3.96,-4.55,;4.73,-3.22,;6.23,-2.9,;6.71,-1.43,;5.68,-.29,;4.17,-.61,;3.69,-2.07,;8.2,-1.03,;9.68,-.63,)|

CN(C)C(=O)O[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:21.23,6.5,wD:8.10,(8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;5.52,1.47,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|

CNC(=O)O[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:20.22,5.4,wD:7.9,(8.19,3.78,;6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;2.46,2.29,;.97,2.69,;1.37,4.18,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)OC(=O)NC1CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,20.24,wD:17.17,(-10.11,-.61,;-8.77,.16,;-8.77,1.7,;-10.11,.93,;-7.44,-.61,;-7.44,-2.15,;-6.1,.16,;-4.77,-.61,;-3.44,.16,;-3.44,1.7,;-2.1,-.61,;-2.1,-2.15,;-.77,-2.92,;.56,-2.15,;.56,-.61,;-.77,.16,;-.77,1.7,;.56,2.47,;1.9,1.7,;3.23,2.47,;3.23,4.01,;1.9,4.78,;.56,4.01,;4.56,4.78,;5.9,4.01,;5.9,2.47,;7.23,4.78,;8.57,4.01,;9.34,2.67,;10.11,4.01,;1.9,-2.92,;2.06,-4.46,;3.56,-4.78,;4.33,-3.44,;5.84,-3.12,;6.32,-1.66,;5.29,-.51,;3.78,-.83,;3.3,-2.3,;7.8,-1.26,;9.29,-.86,)|

CN(C)C(=O)O[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.25,6.5,wD:9.12,(8.97,3.24,;7.64,4.01,;7.64,5.55,;6.31,3.24,;6.31,1.7,;4.97,4.01,;3.64,3.24,;3.64,1.7,;2.3,.93,;.97,1.7,;.97,3.24,;2.3,4.01,;-.36,.93,;-.36,-.61,;.97,-1.38,;.97,-2.92,;-.36,-3.69,;-1.7,-2.92,;-1.7,-1.38,;-3.03,-.61,;-3.03,.93,;-4.36,-1.38,;-5.7,-.61,;-7.03,-1.38,;-7.03,-2.92,;-8.37,-.61,;-9.7,-1.38,;-8.37,.93,;-9.7,.16,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|

CNC(=O)O[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,5.4,wD:8.11,(8.97,4.01,;7.64,4.78,;6.31,4.01,;6.31,2.47,;4.97,4.78,;3.64,4.01,;3.64,2.47,;2.3,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;-.36,1.7,;-.36,.16,;.97,-.61,;.97,-2.15,;-.36,-2.92,;-1.7,-2.15,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,-.61,;-5.7,.16,;-7.03,-.61,;-7.03,-2.15,;-8.37,.16,;-9.7,-.61,;-8.37,1.7,;-9.7,.93,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](CC1)OC(=O)NC1CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,wD:17.17,20.24,(-10.11,-.61,;-8.77,.16,;-8.77,1.7,;-10.11,.93,;-7.44,-.61,;-7.44,-2.15,;-6.1,.16,;-4.77,-.61,;-3.44,.16,;-3.44,1.7,;-2.1,-.61,;-2.1,-2.15,;-.77,-2.92,;.56,-2.15,;.56,-.61,;-.77,.16,;-.77,1.7,;.56,2.47,;1.9,1.7,;3.23,2.47,;3.23,4.01,;1.9,4.78,;.56,4.01,;4.56,4.78,;5.9,4.01,;5.9,2.47,;7.23,4.78,;8.57,4.01,;9.34,2.67,;10.11,4.01,;1.9,-2.92,;2.06,-4.46,;3.56,-4.78,;4.33,-3.44,;5.84,-3.12,;6.32,-1.66,;5.29,-.51,;3.78,-.83,;3.3,-2.3,;7.8,-1.26,;9.29,-.86,)|

CN(C)C(=O)O[C@@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.25,wD:9.12,6.5,(8.97,3.24,;7.64,4.01,;7.64,5.55,;6.31,3.24,;6.31,1.7,;4.97,4.01,;3.64,3.24,;3.64,1.7,;2.3,.93,;.97,1.7,;.97,3.24,;2.3,4.01,;-.36,.93,;-.36,-.61,;.97,-1.38,;.97,-2.92,;-.36,-3.69,;-1.7,-2.92,;-1.7,-1.38,;-3.03,-.61,;-3.03,.93,;-4.36,-1.38,;-5.7,-.61,;-7.03,-1.38,;-7.03,-2.92,;-8.37,-.61,;-9.7,-1.38,;-8.37,.93,;-9.7,.16,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|

CNC(=O)O[C@@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,wD:8.11,5.4,(8.97,4.01,;7.64,4.78,;6.31,4.01,;6.31,2.47,;4.97,4.78,;3.64,4.01,;3.64,2.47,;2.3,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;-.36,1.7,;-.36,.16,;.97,-.61,;.97,-2.15,;-.36,-2.92,;-1.7,-2.15,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,-.61,;-5.7,.16,;-7.03,-.61,;-7.03,-2.15,;-8.37,.16,;-9.7,-.61,;-8.37,1.7,;-9.7,.93,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;2.46,2.29,;2.86,3.78,;4.19,4.55,;1.37,4.18,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCc1cccnc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCc1ccccn1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)-c1cn[nH]c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC(CC1)C(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,(-9.7,-1.38,;-8.37,-.61,;-8.37,.93,;-9.7,.16,;-7.03,-1.38,;-7.03,-2.92,;-5.7,-.61,;-4.36,-1.38,;-3.03,-.61,;-3.03,.93,;-1.7,-1.38,;-1.7,-2.92,;-.36,-3.69,;.97,-2.92,;.97,-1.38,;-.36,-.61,;-.36,.93,;.97,1.7,;.97,3.24,;2.3,4.01,;3.64,3.24,;3.64,1.7,;2.3,.93,;4.97,4.01,;4.97,5.55,;6.31,3.24,;6.31,1.7,;7.64,.93,;8.97,1.7,;8.97,3.24,;7.64,4.01,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC(CC1)C(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,(-9.7,-1.38,;-8.37,-.61,;-8.37,.93,;-9.7,.16,;-7.03,-1.38,;-7.03,-2.92,;-5.7,-.61,;-4.36,-1.38,;-3.03,-.61,;-3.03,.93,;-1.7,-1.38,;-1.7,-2.92,;-.36,-3.69,;.97,-2.92,;.97,-1.38,;-.36,-.61,;-.36,.93,;.97,1.7,;.97,3.24,;2.3,4.01,;3.64,3.24,;3.64,1.7,;2.3,.93,;4.97,4.01,;4.97,5.55,;6.31,3.24,;6.7,1.75,;8.19,2.15,;9.53,2.92,;9.53,1.38,;7.79,3.63,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1nc[nH]n1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1ncnn1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1cc[nH]n1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc(cnn12)C#N |r|

Cn1cnc(n1)-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1ccnn1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCc1cn[nH]c1)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)C1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.10,21.23,(7.64,4.01,;6.31,3.24,;4.97,4.01,;4.97,5.55,;3.64,3.24,;2.3,4.01,;.97,3.24,;.97,1.7,;2.3,.93,;3.64,1.7,;-.36,.93,;-.36,-.61,;.97,-1.38,;.97,-2.92,;-.36,-3.69,;-1.7,-2.92,;-1.7,-1.38,;-3.03,-.61,;-3.03,.93,;-4.36,-1.38,;-5.7,-.61,;-7.03,-1.38,;-7.03,-2.92,;-8.37,-.61,;-9.7,-1.38,;-8.37,.93,;-9.7,.16,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccnnc1)-c1ccc2cc(cnn12)C#N |r|

Cc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnccn1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r|

Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cnc1F |r|

CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CCC(O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC1CC[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC1CCC[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CCC[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCOC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCOC1)-c1ccc2cc(cnn12)C#N |r|

COC(=O)N1Cc2ccc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)cc2C1 |r|

CC(=O)N1Cc2ccc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)cc2C1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CNCC(F)(F)F)cc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCN(C1)C1COC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CN2CCCC2=O)cc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CN2CCOC2=O)cc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CNC(=O)C2CC2)cc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)C(=O)NCc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CCC(=O)NCc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CN2CC(F)(F)C2)cc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)[C@@H]1CCN(C1)C1COC1)-c1ccc2cc(cnn12)C#N |r|

Cc1ncc(o1)-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)[C@@H]1CCNC1)-c1ccc2cc(cnn12)C#N |r|

Cc1nnc(o1)-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

Cn1cncc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CC(=O)NC1(CC1)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

COC(=O)NC1(CC1)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)N1CCNCC1)-c1ccc2cc(cnn12)C#N |r|

COC(=O)NC(C)(C)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CC(=O)NC(C)(C)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1cnco1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(OC(F)F)c1)-c1ccc2cc(cnn12)C#N |r|

Cc1nnc([nH]1)-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)-c1cnc[nH]1)-c1ccc2cc(cnn12)C#N |r|

CC(=O)NCc1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)-c1ncc[nH]1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cncc(c1)C1CC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCNC1)-c1ccc2cc(cnn12)C#N |r|

COC(=O)N1CCC(C1)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

COC(=O)NCc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cncc(c1)C(F)F)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)C(F)F)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1ncco1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccnc1F)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1ncc[nH]1)-c1ccc2cc(cnn12)C#N |r|

COC(=O)N1CC(C1)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CNC1)-c1ccc2cc(cnn12)C#N |r|

Cc1cncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1c[nH]cn1)-c1ccc2cc(cnn12)C#N |r|

COC(=O)N1CCC(CC1)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCNCC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)[C@H]1CCOC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CC2CN(C[C@H]2C1)C(N)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)[C@@H]1CCOC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CNCCC1(F)F)-c1ccc2cc(cnn12)C#N |r|

CC(=O)NCc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

COC(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CN(C)C(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CN(C)S(=O)(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CN1CC2C[C@H](C[C@@H]2C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H]2CN(C[C@H]2C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1C[C@@H]2CNC[C@@H]2C1)-c1ccc2cc(cnn12)C#N |r|

CC(=O)N1C[C@@H]2C[C@H](C[C@@H]2C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1C[C@H]2CN(C[C@H]2C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H]2CNC[C@@H]2C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)N)-c1ccc2cc(cnn12)C#N |r|

CC(=O)N1CCC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCCN(C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCNC1)-c1ccc2cc(cnn12)C#N |r|

CC(=O)N1CCCC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCN(C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

CN1CCC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CN1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCCC1O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC[C@@H]1O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CN2CCC1C2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC2(CCC(=O)N2)CC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,(-9.7,-1.82,;-8.37,-1.05,;-8.37,.49,;-9.7,-.28,;-7.03,-1.82,;-7.03,-3.36,;-5.7,-1.05,;-4.36,-1.82,;-3.03,-1.05,;-3.03,.49,;-1.7,-1.82,;-1.7,-3.36,;-.36,-4.13,;.97,-3.36,;.97,-1.82,;-.36,-1.05,;-.36,.49,;.97,1.26,;.97,2.8,;2.3,3.57,;3.64,2.8,;5.04,2.17,;6.08,3.32,;5.31,4.65,;6.08,5.98,;3.8,4.33,;3.64,1.26,;2.3,.49,;2.3,-4.13,;2.47,-5.66,;3.97,-5.98,;4.74,-4.65,;6.25,-4.33,;6.72,-2.87,;5.69,-1.72,;4.19,-2.04,;3.71,-3.51,;8.21,-2.47,;9.7,-2.07,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CN2CCC1C2)-c1ccc2cc(cnn12)C#N |r|

COC(=O)CC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCNCC#N)-c1ccc2cc(cnn12)C#N

COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N |r,wU:5.4,wD:8.11,(8.31,4.01,;6.97,4.78,;5.64,4.01,;5.64,2.47,;4.3,4.78,;2.97,4.01,;2.97,2.47,;1.64,1.7,;.3,2.47,;.3,4.01,;1.64,4.78,;-1.03,1.7,;-1.03,.16,;.3,-.61,;.3,-2.15,;-1.03,-2.92,;-2.36,-2.15,;-2.36,-.61,;-3.7,.16,;-3.7,1.7,;-5.03,-.61,;-6.36,.16,;-7.7,-.61,;-9.03,-1.38,;1.64,-2.92,;1.8,-4.46,;3.3,-4.78,;4.07,-3.44,;5.58,-3.12,;6.06,-1.66,;5.03,-.51,;3.52,-.83,;3.04,-2.3,;7.54,-1.26,;9.03,-.86,)|

Cc1nnc(N[C@H]2CC[C@@H](CC2)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)o1 |r,wU:23.25,6.5,wD:9.12,(9.99,3.65,;8.45,3.49,;7.68,2.15,;6.18,2.47,;6.02,4.01,;4.68,4.78,;3.35,4.01,;3.35,2.47,;2.02,1.7,;.68,2.47,;.68,4.01,;2.02,4.78,;-.65,1.7,;-.65,.16,;.68,-.61,;.68,-2.15,;-.65,-2.92,;-1.98,-2.15,;-1.98,-.61,;-3.32,.16,;-3.32,1.7,;-4.65,-.61,;-5.99,.16,;-7.32,-.61,;-7.32,-2.15,;-8.65,.16,;-9.99,-.61,;-8.65,1.7,;-9.99,.93,;2.02,-2.92,;2.18,-4.46,;3.68,-4.78,;4.45,-3.44,;5.96,-3.12,;6.44,-1.66,;5.41,-.51,;3.9,-.83,;3.42,-2.3,;7.92,-1.26,;9.41,-.86,;7.42,4.63,)|

COC(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:26.32,(11.64,4.01,;10.31,4.78,;8.97,4.01,;8.97,2.47,;7.64,4.78,;6.31,4.01,;6.31,2.47,;4.97,1.7,;3.64,2.47,;3.64,4.01,;4.97,4.78,;5.18,2.47,;4.77,4.01,;2.3,1.7,;2.3,.16,;3.64,-.61,;3.64,-2.15,;2.3,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,2.47,;-5.7,1.7,;-5.7,.16,;-4.36,-.61,;-7.03,2.47,;-8.37,1.7,;-8.37,.16,;-9.7,2.47,;-9.7,4.01,;-11.03,4.78,;-12.37,4.01,;-12.37,2.47,;-11.03,1.7,;4.97,-2.92,;5.13,-4.46,;6.64,-4.78,;7.41,-3.44,;8.92,-3.12,;9.39,-1.66,;8.36,-.51,;6.85,-.83,;6.38,-2.3,;10.88,-1.26,;12.37,-.86,)|

COC(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:26.32,(11.08,4.01,;9.74,4.78,;8.41,4.01,;8.41,2.47,;7.08,4.78,;5.74,4.01,;5.74,2.47,;4.41,1.7,;3.07,2.47,;3.07,4.01,;4.41,4.78,;4.61,2.47,;4.2,4.01,;1.74,1.7,;1.74,.16,;3.07,-.61,;3.07,-2.15,;1.74,-2.92,;.41,-2.15,;.41,-.61,;-.93,.16,;-.93,1.7,;-2.26,-.61,;-3.59,.16,;-3.59,1.7,;-4.93,2.47,;-6.26,1.7,;-6.26,.16,;-4.93,-.61,;-7.6,2.47,;-8.93,1.7,;-8.93,.16,;-10.26,2.47,;-11.03,3.8,;-11.8,2.47,;4.41,-2.92,;4.57,-4.46,;6.08,-4.78,;6.85,-3.44,;8.35,-3.12,;8.83,-1.66,;7.8,-.51,;6.29,-.83,;5.81,-2.3,;10.32,-1.26,;11.8,-.86,)|

CN(C)C(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC[C@@H](CC1)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:4.4,20.24,(-9.7,-1.38,;-8.37,-.61,;-8.37,.93,;-9.7,.16,;-7.03,-1.38,;-7.03,-2.92,;-5.7,-.61,;-4.36,-1.38,;-3.03,-.61,;-3.03,.93,;-1.7,-1.38,;-1.7,-2.92,;-.36,-3.69,;.97,-2.92,;.97,-1.38,;-.36,-.61,;-.36,.93,;.97,1.7,;2.3,.93,;3.64,1.7,;3.64,3.24,;2.3,4.01,;.97,3.24,;4.97,4.01,;6.31,3.24,;4.97,5.55,;6.31,4.78,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|

CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)OC)-c1ccc2cc(cnn12)C#N |r,wU:14.18,wD:11.11,(-7.7,.16,;-6.36,-.61,;-5.03,.16,;-5.03,1.7,;-3.7,-.61,;-3.7,-2.15,;-2.36,-2.92,;-1.03,-2.15,;-1.03,-.61,;-2.36,.16,;-2.36,1.7,;-1.03,2.47,;.3,1.7,;1.64,2.47,;1.64,4.01,;.3,4.78,;-1.03,4.01,;2.97,4.78,;4.3,4.01,;4.3,2.47,;5.64,4.78,;6.97,4.01,;.3,-2.92,;.46,-4.46,;1.97,-4.78,;2.74,-3.44,;4.25,-3.12,;4.72,-1.66,;3.69,-.51,;2.19,-.83,;1.71,-2.3,;6.21,-1.26,;7.7,-.86,)|

CNC(=O)c1cnc(cc1NC1CC[C@@H](CC1)NC(=O)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r,wU:14.18,(-7.7,-.61,;-6.36,-1.38,;-5.03,-.61,;-5.03,.93,;-3.7,-1.38,;-3.7,-2.92,;-2.36,-3.69,;-1.03,-2.92,;-1.03,-1.38,;-2.36,-.61,;-2.36,.93,;-1.03,1.7,;.3,.93,;1.64,1.7,;1.64,3.24,;.3,4.01,;-1.03,3.24,;2.97,4.01,;4.3,3.24,;4.3,1.7,;5.64,4.01,;6.97,3.24,;5.64,5.55,;6.97,4.78,;.3,-3.69,;.46,-5.23,;1.97,-5.55,;2.74,-4.21,;4.25,-3.89,;4.72,-2.43,;3.69,-1.28,;2.19,-1.6,;1.71,-3.07,;6.21,-2.03,;7.7,-1.63,)|

CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:14.18,wD:11.11,(-7.7,.16,;-6.36,-.61,;-5.03,.16,;-5.03,1.7,;-3.7,-.61,;-3.7,-2.15,;-2.36,-2.92,;-1.03,-2.15,;-1.03,-.61,;-2.36,.16,;-2.36,1.7,;-1.03,2.47,;.3,1.7,;1.64,2.47,;1.64,4.01,;.3,4.78,;-1.03,4.01,;2.97,4.78,;4.3,4.01,;5.64,4.78,;4.3,2.47,;.3,-2.92,;.46,-4.46,;1.97,-4.78,;2.74,-3.44,;4.25,-3.12,;4.72,-1.66,;3.69,-.51,;2.19,-.83,;1.71,-2.3,;6.21,-1.26,;7.7,-.86,)|

CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NCC(F)(F)F)-c1ccc2cc(cnn12)C#N

CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NCC(F)F)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)NC(=O)OC1COC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)OC1COC1)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-10.28,-.61,;-8.95,.16,;-8.95,1.7,;-10.28,.93,;-7.61,-.61,;-7.61,-2.15,;-6.28,.16,;-4.94,-.61,;-3.61,.16,;-3.61,1.7,;-2.28,-.61,;-2.28,-2.15,;-.94,-2.92,;.39,-2.15,;.39,-.61,;-.94,.16,;-.94,1.7,;.39,2.47,;1.72,1.7,;3.06,2.47,;3.06,4.01,;1.72,4.78,;.39,4.01,;4.39,4.78,;5.73,4.01,;5.73,2.47,;7.06,4.78,;8.39,4.01,;8.79,2.52,;10.28,2.92,;9.88,4.4,;1.72,-2.92,;1.89,-4.46,;3.39,-4.78,;4.16,-3.44,;5.67,-3.12,;6.14,-1.66,;5.11,-.51,;3.61,-.83,;3.13,-2.3,;7.63,-1.26,;9.12,-.86,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C1(C)COC1)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-1.36,;-8.37,-.59,;-8.37,.95,;-9.7,.18,;-7.03,-1.36,;-7.03,-2.9,;-5.7,-.59,;-4.36,-1.36,;-3.03,-.59,;-3.03,.95,;-1.7,-1.36,;-1.7,-2.9,;-.36,-3.67,;.97,-2.9,;.97,-1.36,;-.36,-.59,;-.36,.95,;.97,1.72,;2.3,.95,;3.64,1.72,;3.64,3.26,;2.3,4.03,;.97,3.26,;4.97,4.03,;6.31,3.26,;6.31,1.72,;7.64,4.03,;6.31,4.8,;9.13,3.63,;9.53,5.12,;8.04,5.52,;2.3,-3.67,;2.47,-5.2,;3.97,-5.52,;4.74,-4.19,;6.25,-3.87,;6.72,-2.4,;5.69,-1.26,;4.19,-1.58,;3.71,-3.04,;8.21,-2,;9.7,-1.6,)|

COC(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

COCC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:6.5,23.25,wD:9.12,(10,4.78,;8.67,4.01,;7.34,4.78,;6,4.01,;6,2.47,;4.67,4.78,;3.33,4.01,;3.33,2.47,;2,1.7,;.67,2.47,;.67,4.01,;2,4.78,;-.67,1.7,;-.67,.16,;.67,-.61,;.67,-2.15,;-.67,-2.92,;-2,-2.15,;-2,-.61,;-3.33,.16,;-3.33,1.7,;-4.67,-.61,;-6,.16,;-7.34,-.61,;-7.34,-2.15,;-8.67,.16,;-10,-.61,;-8.67,1.7,;-10,.93,;2,-2.92,;2.16,-4.46,;3.67,-4.78,;4.44,-3.44,;5.94,-3.12,;6.42,-1.66,;5.39,-.51,;3.88,-.83,;3.41,-2.3,;7.91,-1.26,;9.4,-.86,)|

CN(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.6,24.26,wD:10.13,(8.97,3.24,;7.64,4.01,;7.64,5.55,;6.31,3.24,;6.31,1.7,;6.31,4.78,;4.97,4.01,;3.64,3.24,;3.64,1.7,;2.3,.93,;.97,1.7,;.97,3.24,;2.3,4.01,;-.36,.93,;-.36,-.61,;.97,-1.38,;.97,-2.92,;-.36,-3.69,;-1.7,-2.92,;-1.7,-1.38,;-3.03,-.61,;-3.03,.93,;-4.36,-1.38,;-5.7,-.61,;-7.03,-1.38,;-7.03,-2.92,;-8.37,-.61,;-9.7,-1.38,;-8.37,.93,;-9.7,.16,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|

CN(C)C(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:6.5,23.25,wD:9.12,(8.97,3.24,;7.64,4.01,;7.64,5.55,;6.31,3.24,;6.31,1.7,;4.97,4.01,;3.64,3.24,;3.64,1.7,;2.3,.93,;.97,1.7,;.97,3.24,;2.3,4.01,;-.36,.93,;-.36,-.61,;.97,-1.38,;.97,-2.92,;-.36,-3.69,;-1.7,-2.92,;-1.7,-1.38,;-3.03,-.61,;-3.03,.93,;-4.36,-1.38,;-5.7,-.61,;-7.03,-1.38,;-7.03,-2.92,;-8.37,-.61,;-9.7,-1.38,;-8.37,.93,;-9.7,.16,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|

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CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)NC(=O)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r|

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CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1CO)-c1ccc2cc(cnn12)C#N |r|

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CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:8.7,25.27,wD:11.14,(10,4.78,;8.67,4.01,;8.67,2.47,;10,3.24,;7.34,4.78,;6,4.01,;6,2.47,;4.67,4.78,;3.33,4.01,;3.33,2.47,;2,1.7,;.67,2.47,;.67,4.01,;2,4.78,;-.67,1.7,;-.67,.16,;.67,-.61,;.67,-2.15,;-.67,-2.92,;-2,-2.15,;-2,-.61,;-3.33,.16,;-3.33,1.7,;-4.67,-.61,;-6,.16,;-7.34,-.61,;-7.34,-2.15,;-8.67,.16,;-10,-.61,;-8.67,1.7,;-10,.93,;2,-2.92,;2.16,-4.46,;3.67,-4.78,;4.44,-3.44,;5.94,-3.12,;6.42,-1.66,;5.39,-.51,;3.88,-.83,;3.41,-2.3,;7.91,-1.26,;9.4,-.86,)|

CC(=O)N[C@@H]1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(=O)N[C@H]1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CC[C@@H](N)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CC[C@H](N)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](N)C1)-c1ccc2cc(cnn12)C#N |r|

CC(=O)N[C@@H]1CC[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-1.38,;-8.37,-.61,;-8.37,.93,;-9.7,.16,;-7.03,-1.38,;-7.03,-2.92,;-5.7,-.61,;-4.36,-1.38,;-3.03,-.61,;-3.03,.93,;-1.7,-1.38,;-1.7,-2.92,;-.36,-3.69,;.97,-2.92,;.97,-1.38,;-.36,-.61,;-.36,.93,;.97,1.7,;2.3,.93,;3.64,1.7,;3.64,3.24,;2.3,4.01,;.97,3.24,;4.97,4.01,;6.31,3.24,;6.31,1.7,;7.64,4.01,;8.97,3.24,;7.64,5.55,;8.97,4.78,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|

COC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:5.4,22.24,wD:8.11,(8.97,4.01,;7.64,4.78,;6.31,4.01,;6.31,2.47,;4.97,4.78,;3.64,4.01,;3.64,2.47,;2.3,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;-.36,1.7,;-.36,.16,;.97,-.61,;.97,-2.15,;-.36,-2.92,;-1.7,-2.15,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,-.61,;-5.7,.16,;-7.03,-.61,;-7.03,-2.15,;-8.37,.16,;-9.7,-.61,;-8.37,1.7,;-9.7,.93,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NS(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-1,;-8.37,-.23,;-8.37,1.31,;-9.7,.54,;-7.03,-1,;-7.03,-2.54,;-5.7,-.23,;-4.36,-1,;-3.03,-.23,;-3.03,1.31,;-1.7,-1,;-1.7,-2.54,;-.36,-3.31,;.97,-2.54,;.97,-1,;-.36,-.23,;-.36,1.31,;.97,2.08,;2.3,1.31,;3.64,2.08,;3.64,3.62,;2.3,4.39,;.97,3.62,;4.97,4.39,;6.31,3.62,;7.64,4.39,;6.31,2.08,;6.31,5.16,;2.3,-3.31,;2.47,-4.84,;3.97,-5.16,;4.74,-3.83,;6.25,-3.51,;6.72,-2.04,;5.69,-.9,;4.19,-1.22,;3.71,-2.68,;8.21,-1.64,;9.7,-1.25,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](N)CC1)-c1ccc2cc(cnn12)C#N |r,wU:20.21,4.4,wD:17.17,(-9.7,-.61,;-8.37,.16,;-8.37,1.7,;-9.7,.93,;-7.03,-.61,;-7.03,-2.15,;-5.7,.16,;-4.36,-.61,;-3.03,.16,;-3.03,1.7,;-1.7,-.61,;-1.7,-2.15,;-.36,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;.97,2.47,;2.3,1.7,;3.64,2.47,;3.64,4.01,;4.97,4.78,;2.3,4.78,;.97,4.01,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|

CC(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(N)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r,wU:17.17,20.24,4.4,(-9.7,-1.38,;-8.37,-.61,;-8.37,.93,;-9.7,.16,;-7.03,-1.38,;-7.03,-2.92,;-5.7,-.61,;-4.36,-1.38,;-3.03,-.61,;-3.03,.93,;-1.7,-1.38,;-1.7,-2.92,;-.36,-3.69,;.97,-2.92,;.97,-1.38,;-.36,-.61,;-.36,.93,;.97,1.7,;2.3,.93,;3.64,1.7,;3.64,3.24,;2.3,4.01,;.97,3.24,;4.97,4.01,;6.31,3.24,;6.31,1.7,;7.64,4.01,;8.97,3.24,;7.64,5.55,;8.97,4.78,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|

CC(=O)N[C@H]1CC[C@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.10,4.3,21.23,(7.64,4.78,;6.31,4.01,;6.31,2.47,;4.97,4.78,;3.64,4.01,;3.64,2.47,;2.3,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;-.36,1.7,;-.36,.16,;.97,-.61,;.97,-2.15,;-.36,-2.92,;-1.7,-2.15,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,-.61,;-5.7,.16,;-7.03,-.61,;-7.03,-2.15,;-8.37,.16,;-9.7,-.61,;-8.37,1.7,;-9.7,.93,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|

CC(C)Nc1cc(ncc1C(=O)N[C@H]1CCOC[C@@H]1F)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CCOC[C@H]1F)-c1ccc2cc(cnn12)C#N |r|

C[C@@H](O)C(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)C(=O)C1(C)COC1)-c1ccc2cc(cnn12)C#N |r|

CC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:4.3,21.23,wD:7.10,(7.64,4.78,;6.31,4.01,;6.31,2.47,;4.97,4.78,;3.64,4.01,;3.64,2.47,;2.3,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;-.36,1.7,;-.36,.16,;.97,-.61,;.97,-2.15,;-.36,-2.92,;-1.7,-2.15,;-1.7,-.61,;-3.03,.16,;-3.03,1.7,;-4.36,-.61,;-5.7,.16,;-7.03,-.61,;-7.03,-2.15,;-8.37,.16,;-9.7,-.61,;-8.37,1.7,;-9.7,.93,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCNC(=O)C1)-c1ccc2cc(cnn12)C#N |r|

COCC(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC(F)(F)F)CC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NCC(O)C(C)(C)O)-c1ccc2cc(cnn12)C#N

OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NCC(=O)C(C)(C)O)-c1ccc2cc(cnn12)C#N

CN(C)C(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N

CNC(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nc(Cc2ccccc2)ns1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nnc(Cc2ccccc2)o1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nc(Cc2ccccc2)cs1)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)c1csc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r|

COC(=O)[C@H](C)NC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|

COC(=O)[C@@H](C)NC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|

COC(=O)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N

CC(C)(CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N)NS(C)(=O)=O

COC(=O)NC(C)(C)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N

CC(=O)NC(C)(C)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N

CC(C)(N)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N

OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCCC1CCCO1)-c1ccc2cc(cnn12)C#N

CC(C)(C)OC(=O)NC(C)(C)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N

OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C(=O)N1CCC1)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CNC(=O)O[C@@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.9,20.22,5.4,(8.19,3.78,;6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;1.37,4.18,;.97,2.69,;2.46,2.29,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCCC#N)-c1ccc2cc(cnn12)C#N

CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|

COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)CCNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N

CNC(=O)O[C@H]1C[C@](C)(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.10,21.23,5.4,wD:7.7,(8.19,3.78,;6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;2.46,2.29,;.97,2.69,;-.36,3.46,;1.37,4.18,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

CC(C)(C)NC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N

CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nc(cs1)-c1ccc(Oc2ccccc2)cc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cc(no1)C(C)(C)C)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.10,4.3,21.23,(7.64,4.01,;6.31,3.24,;4.97,4.01,;4.97,5.55,;3.64,3.24,;2.3,4.01,;.97,3.24,;.97,1.7,;2.3,.93,;3.64,1.7,;-.36,.93,;-.36,-.61,;.97,-1.38,;.97,-2.92,;-.36,-3.69,;-1.7,-2.92,;-1.7,-1.38,;-3.03,-.61,;-3.03,.93,;-4.36,-1.38,;-5.7,-.61,;-7.03,-1.38,;-7.03,-2.92,;-8.37,-.61,;-9.7,-1.38,;-8.37,.93,;-9.7,.16,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nc(cs1)-c1ccccc1)-c1ccc2cc(cnn12)C#N |r|

Cc1ccc(cc1)-c1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n(n1)-c1ccccc1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1sc2CCCCc2c1C(N)=O)-c1ccc2cc(cnn12)C#N |r|

CN(C)[C@H]1CCC(CC1)NC(=O)c1cnc(cc1N[C@H]1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r,wU:3.2,wD:19.20,23.25,(-10.37,.93,;-9.03,1.7,;-9.03,3.24,;-7.7,.93,;-6.36,1.7,;-5.03,.93,;-5.03,-.61,;-6.36,-1.38,;-7.7,-.61,;-3.7,-1.38,;-2.36,-.61,;-2.36,.93,;-1.03,-1.38,;-1.03,-2.92,;.3,-3.69,;1.64,-2.92,;1.64,-1.38,;.3,-.61,;.3,.93,;1.64,1.7,;2.97,.93,;4.3,1.7,;4.3,3.24,;2.97,4.01,;2.97,5.55,;1.64,3.24,;2.97,-3.69,;3.13,-5.23,;4.64,-5.55,;5.41,-4.21,;6.91,-3.89,;7.39,-2.43,;6.36,-1.28,;4.85,-1.6,;4.38,-3.07,;8.88,-2.03,;10.37,-1.63,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(=O)NC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)NC(=O)c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(Cc2ccccc2)n1)-c1ccc2cc(cnn12)C#N |r|

Cn1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)n1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)(C2)C(N)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nc(cs1)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nccs1)-c1ccc2cc(cnn12)C#N |r|

COc1ccc2nc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)sc2c1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1nc2ccccc2s1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)(C2)C#N)-c1ccc2cc(cnn12)C#N |r|

CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC12CC(C1)(C2)C#N)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C(N)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccccc1C(N)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C(N)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(F)c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1ccccc1=O)-c1ccc2cc(cnn12)C#N |r|

OC1CCCC(C1)Nc1cc(ncc1C(=O)Nc1ccc(cn1)C#N)-c1ccc2cc(cnn12)C#N

COC(=O)NC1CC[C@@H](CC1)NC(=O)c1cnc(cc1N[C@H]1CCCC(O)C1)-c1ccc2cc(cnn12)C#N |r,wU:8.11,wD:21.22,(-11.7,.93,;-10.37,1.7,;-9.03,.93,;-9.03,-.61,;-7.7,1.7,;-6.36,.93,;-6.36,-.61,;-5.03,-1.38,;-3.7,-.61,;-3.7,.93,;-5.03,1.7,;-2.36,-1.38,;-1.03,-.61,;-1.03,.93,;.3,-1.38,;.3,-2.92,;1.64,-3.69,;2.97,-2.92,;2.97,-1.38,;1.64,-.61,;1.64,.93,;2.97,1.7,;4.3,.93,;5.64,1.7,;5.64,3.24,;4.3,4.01,;4.3,5.55,;2.97,3.24,;4.3,-3.69,;4.47,-5.23,;5.97,-5.55,;6.74,-4.21,;8.25,-3.89,;8.72,-2.43,;7.69,-1.28,;6.19,-1.6,;5.71,-3.07,;10.21,-2.03,;11.7,-1.63,)|

C[C@@]1(O)C[C@@H](C1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N |r,wU:4.6,1.1,wD:1.0,(3.52,3.01,;2.19,3.78,;3.52,4.55,;.7,4.18,;.3,2.69,;1.79,2.29,;-1.03,1.92,;-1.03,.38,;.3,-.39,;.3,-1.93,;-1.03,-2.7,;-2.36,-1.93,;-2.36,-.39,;-3.7,.38,;-3.7,1.92,;-5.03,-.39,;-6.36,.38,;-7.7,-.39,;-9.03,-1.16,;1.64,-2.7,;1.8,-4.23,;3.3,-4.55,;4.07,-3.22,;5.58,-2.9,;6.06,-1.43,;5.03,-.29,;3.52,-.61,;3.04,-2.07,;7.54,-1.03,;9.03,-.63,)|

C[C@]1(O)C[C@@H](C1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N |r,wU:4.6,1.0,wD:1.1,(3.52,4.55,;2.19,3.78,;3.52,3.01,;.7,4.18,;.3,2.69,;1.79,2.29,;-1.03,1.92,;-1.03,.38,;.3,-.39,;.3,-1.93,;-1.03,-2.7,;-2.36,-1.93,;-2.36,-.39,;-3.7,.38,;-3.7,1.92,;-5.03,-.39,;-6.36,.38,;-7.7,-.39,;-9.03,-1.16,;1.64,-2.7,;1.8,-4.23,;3.3,-4.55,;4.07,-3.22,;5.58,-2.9,;6.06,-1.43,;5.03,-.29,;3.52,-.61,;3.04,-2.07,;7.54,-1.03,;9.03,-.63,)|

NC(=O)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r,wU:17.21,wD:14.14,(-9.03,-1.15,;-7.7,-1.92,;-7.7,-3.46,;-6.36,-1.15,;-5.03,-1.92,;-3.7,-1.15,;-3.7,.39,;-2.36,-1.92,;-2.36,-3.46,;-1.03,-4.23,;.3,-3.46,;.3,-1.92,;-1.03,-1.15,;-1.03,.39,;.3,1.16,;1.64,.39,;2.97,1.16,;2.97,2.7,;1.64,3.47,;.3,2.7,;4.3,3.47,;5.71,2.84,;6.74,3.98,;5.97,5.32,;4.47,5,;3.38,6.09,;1.64,-4.23,;1.8,-5.77,;3.3,-6.09,;4.07,-4.75,;5.58,-4.43,;6.06,-2.97,;5.03,-1.82,;3.52,-2.14,;3.04,-3.61,;7.54,-2.57,;9.03,-2.17,)|

O=C(NCC#N)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r,wU:16.20,wD:13.13,(-3.7,.39,;-3.7,-1.15,;-5.03,-1.92,;-6.36,-1.15,;-7.7,-1.92,;-9.03,-2.69,;-2.36,-1.92,;-2.36,-3.46,;-1.03,-4.23,;.3,-3.46,;.3,-1.92,;-1.03,-1.15,;-1.03,.39,;.3,1.16,;1.64,.39,;2.97,1.16,;2.97,2.7,;1.64,3.47,;.3,2.7,;4.3,3.47,;5.71,2.84,;6.74,3.98,;5.97,5.32,;4.47,5,;3.38,6.09,;1.64,-4.23,;1.8,-5.77,;3.3,-6.09,;4.07,-4.75,;5.58,-4.43,;6.06,-2.97,;5.03,-1.82,;3.52,-2.14,;3.04,-3.61,;7.54,-2.57,;9.03,-2.17,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-1.92,;-8.37,-1.15,;-8.37,.39,;-9.7,-.38,;-7.03,-1.92,;-7.03,-3.46,;-5.7,-1.15,;-4.36,-1.92,;-3.03,-1.15,;-3.03,.39,;-1.7,-1.92,;-1.7,-3.46,;-.36,-4.23,;.97,-3.46,;.97,-1.92,;-.36,-1.15,;-.36,.39,;.97,1.16,;2.3,.39,;3.64,1.16,;3.64,2.7,;2.3,3.47,;.97,2.7,;4.97,3.47,;6.38,2.84,;7.41,3.98,;6.64,5.32,;5.13,5,;4.04,6.09,;2.3,-4.23,;2.47,-5.77,;3.97,-6.09,;4.74,-4.75,;6.25,-4.43,;6.72,-2.97,;5.69,-1.82,;4.19,-2.14,;3.71,-3.61,;8.21,-2.57,;9.7,-2.17,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(C1)C(F)F)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(C)(F)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CCN(CC1)C1COC1)-c1ccc2cc(cnn12)C#N |r|

COC1CN(C1)C(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

COCCNC(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(N)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)N1CCOC1=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(F)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r|

OC12CCC(CC1)(CC2)NC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)C2)-c1ccc2cc(cnn12)C#N |r|

CN(C)C(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)N1CCC1=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)NC1CC1)-c1ccc2cc(cnn12)C#N |r|

CCNC(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CCC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)NC12CC(C1)C2)-c1ccc2cc(cnn12)C#N |r|

CN(C)C(=O)OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cn1)C#N)-c1ccc2cc(cnn12)C#N |r|

COC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(=O)OC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)OC(C)=O)-c1ccc2cc(cnn12)C#N |r|

CC(=O)OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC1CC(O)CCC1Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ncc(cn1)C#N)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C1(F)CC1)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-2.31,;-8.37,-1.54,;-8.37,0,;-9.7,-.77,;-7.03,-2.31,;-7.03,-3.85,;-5.7,-1.54,;-4.36,-2.31,;-3.03,-1.54,;-3.03,0,;-1.7,-2.31,;-1.7,-3.85,;-.36,-4.62,;.97,-3.85,;.97,-2.31,;-.36,-1.54,;-.36,0,;.97,.77,;2.3,0,;3.64,.77,;3.64,2.31,;2.3,3.08,;.97,2.31,;4.97,3.08,;5.13,4.62,;4.04,5.7,;6.64,4.94,;7.41,3.6,;7.88,5.84,;6.48,6.47,;2.3,-4.62,;2.47,-6.15,;3.97,-6.47,;4.74,-5.13,;6.25,-4.81,;6.72,-3.35,;5.69,-2.2,;4.19,-2.52,;3.71,-3.99,;8.21,-2.95,;9.7,-2.55,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C1(C)CC1)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-2.31,;-8.37,-1.54,;-8.37,0,;-9.7,-.77,;-7.03,-2.31,;-7.03,-3.85,;-5.7,-1.54,;-4.36,-2.31,;-3.03,-1.54,;-3.03,0,;-1.7,-2.31,;-1.7,-3.85,;-.36,-4.62,;.97,-3.85,;.97,-2.31,;-.36,-1.54,;-.36,0,;.97,.77,;2.3,0,;3.64,.77,;3.64,2.31,;2.3,3.08,;.97,2.31,;4.97,3.08,;5.13,4.62,;4.04,5.7,;6.64,4.94,;7.41,3.6,;7.88,5.84,;6.48,6.47,;2.3,-4.62,;2.47,-6.15,;3.97,-6.47,;4.74,-5.13,;6.25,-4.81,;6.72,-3.35,;5.69,-2.2,;4.19,-2.52,;3.71,-3.99,;8.21,-2.95,;9.7,-2.55,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)NC(=O)C=C)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C=C)-c1ccc2cc(cnn12)C#N |r,wU:20.24,4.4,wD:17.17,(-9.7,-1.92,;-8.37,-1.15,;-8.37,.39,;-9.7,-.38,;-7.03,-1.92,;-7.03,-3.46,;-5.7,-1.15,;-4.36,-1.92,;-3.03,-1.15,;-3.03,.39,;-1.7,-1.92,;-1.7,-3.46,;-.36,-4.23,;.97,-3.46,;.97,-1.92,;-.36,-1.15,;-.36,.39,;.97,1.16,;2.3,.39,;3.64,1.16,;3.64,2.7,;2.3,3.47,;.97,2.7,;4.97,3.47,;5.13,5,;4.04,6.09,;6.62,4.6,;7.71,5.69,;2.3,-4.23,;2.47,-5.77,;3.97,-6.09,;4.74,-4.75,;6.25,-4.43,;6.72,-2.97,;5.69,-1.82,;4.19,-2.14,;3.71,-3.61,;8.21,-2.57,;9.7,-2.17,)|

O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC1C[C@H]1F)-c1ccc2cc(cnn12)C#N |r|

O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC1CC2(C1)CC(F)(F)C2)-c1ccc2cc(cnn12)C#N |r|

O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NCC1(CC1)C#N)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@]1(C)C[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.21,17.18,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;-.12,3.78,;1.37,4.18,;2.86,3.78,;4.19,4.55,;2.46,2.29,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC1CC1(F)F)-c1ccc2cc(cnn12)C#N |r|

O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC1CCC(F)(F)CC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@]1(C)CC[C@H](O)CC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,21.22,4.4,wD:17.18,(-9.7,-.61,;-8.37,.16,;-8.37,1.7,;-9.7,.93,;-7.03,-.61,;-7.03,-2.15,;-5.7,.16,;-4.36,-.61,;-3.03,.16,;-3.03,1.7,;-1.7,-.61,;-1.7,-2.15,;-.36,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;.97,2.47,;-.12,3.55,;2.3,1.7,;3.64,2.47,;3.64,4.01,;4.97,4.78,;2.3,4.78,;.97,4.01,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@]1(C)C[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,20.21,wD:17.18,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;-.12,3.78,;2.46,2.29,;2.86,3.78,;4.19,4.55,;1.37,4.18,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2C(=O)NCc2c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(O)nc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](O)CC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.21,(-9.7,-.61,;-8.37,.16,;-8.37,1.7,;-9.7,.93,;-7.03,-.61,;-7.03,-2.15,;-5.7,.16,;-4.36,-.61,;-3.03,.16,;-3.03,1.7,;-1.7,-.61,;-1.7,-2.15,;-.36,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;3.64,4.01,;4.97,4.78,;3.64,2.47,;2.3,1.7,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CC[C@H](O)CC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,20.21,(-9.7,-.61,;-8.37,.16,;-8.37,1.7,;-9.7,.93,;-7.03,-.61,;-7.03,-2.15,;-5.7,.16,;-4.36,-.61,;-3.03,.16,;-3.03,1.7,;-1.7,-.61,;-1.7,-2.15,;-.36,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;.97,2.47,;2.3,1.7,;3.64,2.47,;3.64,4.01,;4.97,4.78,;2.3,4.78,;.97,4.01,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCCCS(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

CCS(=O)(=O)CCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(CCS(C)(=O)=O)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccc1=O |r|

Cn1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1=O |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H](C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:19.22,(-9.7,-1.16,;-8.37,-.39,;-8.37,1.15,;-9.7,.38,;-7.03,-1.16,;-7.03,-2.7,;-5.7,-.39,;-4.36,-1.16,;-3.03,-.39,;-3.03,1.15,;-1.7,-1.16,;-1.7,-2.7,;-.36,-3.47,;.97,-2.7,;.97,-1.16,;-.36,-.39,;-.36,1.15,;.97,1.92,;1.37,3.41,;2.86,3.01,;2.46,1.52,;4.19,3.78,;5.52,3.01,;4.19,5.32,;5.52,4.55,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@](C)(O)CC1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,20.21,wD:20.22,(-9.7,-.61,;-8.37,.16,;-8.37,1.7,;-9.7,.93,;-7.03,-.61,;-7.03,-2.15,;-5.7,.16,;-4.36,-.61,;-3.03,.16,;-3.03,1.7,;-1.7,-.61,;-1.7,-2.15,;-.36,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;.97,2.47,;.97,4.01,;2.3,4.78,;3.64,4.01,;4.97,4.78,;4.97,3.24,;3.64,2.47,;2.3,1.7,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@](C)(O)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,19.20,wD:19.21,(-9.7,-.77,;-8.37,-0,;-8.37,1.54,;-9.7,.77,;-7.03,-.77,;-7.03,-2.31,;-5.7,-0,;-4.36,-.77,;-3.03,-0,;-3.03,1.54,;-1.7,-.77,;-1.7,-2.31,;-.36,-3.08,;.97,-2.31,;.97,-.77,;-.36,-0,;-.36,1.54,;.97,2.31,;1.37,3.79,;2.86,3.4,;2.86,4.94,;4.19,4.17,;2.46,1.91,;2.3,-3.08,;2.47,-4.62,;3.97,-4.94,;4.74,-3.6,;6.25,-3.28,;6.72,-1.82,;5.69,-.67,;4.19,-.99,;3.71,-2.46,;8.21,-1.42,;9.7,-1.02,)|

CC(=O)N1CC2(CC(C2)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)C1 |r|

CC(C)(C)OC(=O)N1CC2(CC(C2)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)C1 |r|

CC(=O)N1CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC(O)C1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;1.37,4.18,;2.86,3.78,;4.19,4.55,;2.46,2.29,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

CNC(=O)c1ccc(Nc2cc(ncc2C(=O)NCC#N)-c2ccc3cc(cnn23)C#N)cc1

CC1(O)CC2(CC(C2)Nc2cc(ncc2C(=O)NCC#N)-c2ccc3cc(cnn23)C#N)C1 |(5.62,4.04,;4.08,4.04,;4.85,5.38,;3.68,2.56,;2.19,2.95,;1.79,1.47,;.3,1.87,;.7,3.35,;-1.03,1.1,;-1.03,-.44,;.3,-1.21,;.3,-2.75,;-1.03,-3.52,;-2.36,-2.75,;-2.36,-1.21,;-3.7,-.44,;-3.7,1.1,;-5.03,-1.21,;-6.36,-.44,;-7.7,-1.21,;-9.03,-1.98,;1.64,-3.52,;1.8,-5.06,;3.3,-5.38,;4.07,-4.04,;5.58,-3.72,;6.06,-2.26,;5.03,-1.11,;3.52,-1.43,;3.04,-2.9,;7.54,-1.86,;9.03,-1.46,;2.59,4.44,)|

OC1CC2(C1)CC(C2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N

O=C(NCC#N)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)NC1COC1)-c1ccc2cc(cnn12)C#N

CCC(=O)N[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:5.4,20.22,wD:7.9,(8.19,3.78,;6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;2.46,2.29,;.97,2.69,;1.37,4.18,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

CC(=O)N[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:4.3,19.21,wD:6.8,(6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;2.46,2.29,;.97,2.69,;1.37,4.18,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

COC(=O)N[C@H]1C[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:7.9,5.4,20.22,(8.19,3.78,;6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;2.46,2.29,;.97,2.69,;1.37,4.18,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

CC(=O)N[C@H]1C[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:6.8,4.3,19.21,(6.86,4.55,;5.52,3.78,;5.52,2.24,;4.19,4.55,;2.86,3.78,;2.46,2.29,;.97,2.69,;1.37,4.18,;-.36,1.92,;-.36,.38,;.97,-.39,;.97,-1.93,;-.36,-2.7,;-1.7,-1.93,;-1.7,-.39,;-3.03,.38,;-3.03,1.92,;-4.36,-.39,;-5.7,.38,;-7.03,-.39,;-7.03,-1.93,;-8.37,.38,;-9.7,-.39,;-8.37,1.92,;-9.7,1.15,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N |r|

O=C(NCC#N)c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N

O=C(NCC#N)c1cnc(cc1NC1CC1)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N

CNc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N

CNC(=O)[C@@H]1CCC[C@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)[C@@H]1CC[C@@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)[C@@H]1CC[C@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)[C@H]1CC[C@@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)c1cnc(cc1NC12CCC(CC1)(C2)C(=O)NC)-c1ccc2cc(cnn12)C#N

CNC(=O)[C@H]1CC[C@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)[C@@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r,wU:6.8,4.3,(4.86,3.78,;3.52,3.01,;2.19,3.78,;2.19,5.32,;.86,3.01,;-.63,3.41,;-1.03,1.92,;.46,1.52,;-2.36,1.15,;-2.36,-.39,;-1.03,-1.16,;-1.03,-2.7,;-2.36,-3.47,;-3.7,-2.7,;-3.7,-1.16,;-5.03,-.39,;-5.03,1.15,;-6.36,-1.16,;-7.7,-.39,;.3,-3.47,;.46,-5,;1.97,-5.32,;2.74,-3.99,;4.25,-3.67,;4.72,-2.2,;3.69,-1.06,;2.19,-1.38,;1.71,-2.84,;6.21,-1.8,;7.7,-1.4,)|

CNC(=O)[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC)-c1ccc2cc(cnn12)C#N |r,wU:6.8,wD:4.3,(4.86,3.78,;3.52,3.01,;2.19,3.78,;2.19,5.32,;.86,3.01,;-.63,3.41,;-1.03,1.92,;.46,1.52,;-2.36,1.15,;-2.36,-.39,;-1.03,-1.16,;-1.03,-2.7,;-2.36,-3.47,;-3.7,-2.7,;-3.7,-1.16,;-5.03,-.39,;-5.03,1.15,;-6.36,-1.16,;-7.7,-.39,;.3,-3.47,;.46,-5,;1.97,-5.32,;2.74,-3.99,;4.25,-3.67,;4.72,-2.2,;3.69,-1.06,;2.19,-1.38,;1.71,-2.84,;6.21,-1.8,;7.7,-1.4,)|

CNC(=O)c1cnc(cc1NC12CCC(CC1)(C2)NC(C)=O)-c1ccc2cc(cnn12)C#N

FC1(F)CN(C1)C(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N

CNC(=O)C12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N

CC(=O)NC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N

CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)C(=O)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:22.28,(8.85,4.55,;7.52,3.78,;7.52,2.24,;6.19,4.55,;4.85,3.78,;4.45,2.29,;2.97,2.69,;3.37,4.18,;3.7,3.49,;1.63,1.92,;1.63,.38,;2.97,-.39,;2.97,-1.93,;1.63,-2.7,;.3,-1.93,;.3,-.39,;-1.03,.38,;-1.03,1.92,;-2.37,-.39,;-3.7,.38,;-3.7,1.92,;-5.04,2.69,;-6.37,1.92,;-6.37,.38,;-5.04,-.39,;-7.7,2.69,;-7.7,4.22,;-9.03,1.92,;-10.36,2.69,;-11.7,1.92,;-11.7,.38,;-10.36,-.39,;-9.03,.38,;4.3,-2.7,;4.46,-4.23,;5.97,-4.55,;6.74,-3.22,;8.24,-2.9,;8.72,-1.43,;7.69,-.29,;6.18,-.61,;5.71,-2.07,;10.21,-1.03,;11.7,-.63,)|

CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r,wU:22.28,wD:19.21,(9.23,4.55,;7.9,3.78,;7.9,2.24,;6.57,4.55,;5.23,3.78,;4.83,2.29,;3.35,2.69,;3.74,4.18,;4.08,3.49,;2.01,1.92,;2.01,.38,;3.35,-.39,;3.35,-1.93,;2.01,-2.7,;.68,-1.93,;.68,-.39,;-.65,.38,;-.65,1.92,;-1.99,-.39,;-3.32,.38,;-3.32,1.92,;-4.66,2.69,;-5.99,1.92,;-5.99,.38,;-4.66,-.39,;-7.32,2.69,;-7.32,4.22,;-8.65,1.92,;-10.14,2.32,;-10.53,.83,;-11.3,-.5,;-12.07,.83,;-9.05,.43,;4.68,-2.7,;4.84,-4.23,;6.35,-4.55,;7.12,-3.22,;8.62,-2.9,;9.1,-1.43,;8.07,-.29,;6.56,-.61,;6.09,-2.07,;10.59,-1.03,;12.07,-.63,)|

CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC12CC(C1)(C2)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:4.3,wD:7.10,(-11.03,2.69,;-9.69,1.92,;-8.36,2.69,;-8.36,4.22,;-7.04,1.92,;-5.7,2.69,;-4.37,1.92,;-4.37,.38,;-5.7,-.39,;-7.04,.38,;-3.03,-.39,;-1.7,.38,;-1.7,1.92,;-.37,-.39,;-.37,-1.93,;.97,-2.7,;2.3,-1.93,;2.3,-.39,;.97,.38,;.97,1.92,;2.3,2.69,;3.79,2.29,;4.19,3.78,;2.7,4.18,;3.04,3.49,;5.52,4.55,;6.85,3.78,;8.19,4.55,;6.85,2.24,;3.63,-2.7,;3.79,-4.23,;5.3,-4.55,;6.07,-3.22,;7.58,-2.9,;8.05,-1.43,;7.02,-.29,;5.52,-.61,;5.04,-2.07,;9.54,-1.03,;11.03,-.63,)|

CNC(=O)c1cnc(cc1NC12CC(C1)(C2)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N

CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)NC1CC1)-c1ccc2cc(cnn12)C#N

CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)NC(C)=O)-c1ccc2cc(cnn12)C#N

CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N

CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)N1CCC1)-c1ccc2cc(cnn12)C#N

CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(=O)NC)-c1ccc2cc(cnn12)C#N

CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)NC(=O)OC)-c1ccc2cc(cnn12)C#N

COC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N

CNC(=O)c1cnc(cc1NC12CC(C1)(C2)NC(=O)OC)-c1ccc2cc(cnn12)C#N

CNC(=O)c1cnc(cc1NC12CC(C1)C2)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)Nc1cncc(N)c1)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)Nc1cncc(NC(C)=O)c1)-c1ccc2cc(cnn12)C#N

CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC1(CC1)C#N)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)Nc1csc(NC(C)=O)n1)-c1ccc2cc(cnn12)C#N

CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-c1ccc2cc(cnn12)C#N |r|

COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)(C2)NC(C)=O)-c1ccc2cc(cnn12)C#N |r|

CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N

CNC(=O)c1cnc(cc1NC12CC(C1)(C2)NC(C)=O)-c1ccc2cc(cnn12)C#N

CC(=O)NC12CCC(CC1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

COC(=O)NC12CCC(CC1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(=O)OC1CCCC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

O=C(N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cccnc1)-c1ccc2cc(cnn12)C#N)C1CC1 |r,wU:3.2,wD:6.9,(-8.93,.16,;-8.93,1.7,;-7.6,2.47,;-6.26,1.7,;-4.93,2.47,;-3.59,1.7,;-3.59,.16,;-4.93,-.61,;-6.26,.16,;-2.26,-.61,;-.93,.16,;-.93,1.7,;.41,-.61,;.41,-2.15,;1.74,-2.92,;3.07,-2.15,;3.07,-.61,;1.74,.16,;1.74,1.7,;3.07,2.47,;3.07,4.01,;4.41,4.78,;5.74,4.01,;5.74,2.47,;4.41,1.7,;4.41,-2.92,;4.57,-4.46,;6.08,-4.78,;6.85,-3.44,;8.35,-3.12,;8.83,-1.66,;7.8,-.51,;6.29,-.83,;5.81,-2.3,;10.32,-1.26,;11.8,-.86,;-10.26,2.47,;-11.03,3.8,;-11.8,2.47,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(F)(CC1)CC2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC[C@@H](C1)[C@@H](O)C2)-c1ccc2cc(cnn12)C#N |r|

OC1CCCC(C1)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)C=C)-c1ccc2cc(cnn12)C#N |r,wU:17.18,wD:20.25,(3.64,5.55,;3.64,4.01,;4.97,3.24,;4.97,1.7,;3.64,.93,;2.3,1.7,;2.3,3.24,;.97,.93,;.97,-.61,;2.3,-1.38,;2.3,-2.92,;.97,-3.69,;-.36,-2.92,;-.36,-1.38,;-1.7,-.61,;-1.7,.93,;-3.03,-1.38,;-4.36,-.61,;-5.7,-1.38,;-7.03,-.61,;-7.03,.93,;-5.7,1.7,;-4.36,.93,;-8.37,1.7,;-9.7,.93,;-9.7,-.61,;-11.03,1.7,;-11.03,3.24,;3.64,-3.69,;3.8,-5.23,;5.31,-5.55,;6.08,-4.21,;7.58,-3.89,;8.06,-2.43,;7.03,-1.28,;5.52,-1.6,;5.04,-3.07,;9.55,-2.03,;11.03,-1.63,)|

OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:22.28,(7.08,4.78,;5.74,4.01,;5.74,2.47,;4.41,1.7,;3.07,2.47,;3.07,4.01,;4.41,4.78,;4.61,2.47,;4.2,4.01,;1.74,1.7,;1.74,.16,;3.07,-.61,;3.07,-2.15,;1.74,-2.92,;.41,-2.15,;.41,-.61,;-.93,.16,;-.93,1.7,;-2.26,-.61,;-3.59,.16,;-3.59,1.7,;-4.93,2.47,;-6.26,1.7,;-6.26,.16,;-4.93,-.61,;-7.6,2.47,;-8.93,1.7,;-8.93,.16,;-10.26,2.47,;-11.03,3.8,;-11.8,2.47,;4.41,-2.92,;4.57,-4.46,;6.08,-4.78,;6.85,-3.44,;8.35,-3.12,;8.83,-1.66,;7.8,-.51,;6.29,-.83,;5.81,-2.3,;10.32,-1.26,;11.8,-.86,)|

COC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(=O)NC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(F)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(C1)CC(C)(O)C2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC2(CC(O)C2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-.93,;-8.37,-.16,;-8.37,1.38,;-9.7,.61,;-7.03,-.93,;-7.03,-2.47,;-5.7,-.16,;-4.36,-.93,;-3.03,-.16,;-3.03,1.38,;-1.7,-.93,;-1.7,-2.47,;-.36,-3.24,;.97,-2.47,;.97,-.93,;-.36,-.16,;-.36,1.38,;.97,2.15,;2.46,1.75,;2.86,3.24,;4.34,2.84,;4.74,4.32,;6.08,5.09,;3.26,4.72,;1.37,3.63,;2.3,-3.24,;2.47,-4.77,;3.97,-5.09,;4.74,-3.76,;6.25,-3.44,;6.72,-1.98,;5.69,-.83,;4.19,-1.15,;3.71,-2.62,;8.21,-1.58,;9.7,-1.18,)|

CNC(=O)c1cnc(cc1N[C@H]1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r|

O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC1(CC1)C#N)-c1ccc2cc(cnn12)C#N |r|

O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC1CC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(C1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r|

COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r|

FC(F)Cn1cc(Nc2cc(ncc2C(=O)N[C@H]2CC[C@@H](CC2)NC(=O)C2CC2)-c2ccc3cc(cnn23)C#N)cn1 |r,wU:20.24,wD:17.17,(4.45,6.58,;4.05,5.09,;2.56,4.69,;5.14,4,;4.74,2.51,;3.24,2.19,;3.07,.66,;1.74,-.11,;1.74,-1.65,;3.07,-2.42,;3.07,-3.96,;1.74,-4.73,;.41,-3.96,;.41,-2.42,;-.93,-1.65,;-.93,-.11,;-2.26,-2.42,;-3.59,-1.65,;-3.59,-.11,;-4.93,.66,;-6.26,-.11,;-6.26,-1.65,;-4.93,-2.42,;-7.6,.66,;-8.93,-.11,;-8.93,-1.65,;-10.26,.66,;-11.03,2,;-11.8,.66,;4.41,-4.73,;4.57,-6.26,;6.08,-6.58,;6.85,-5.24,;8.35,-4.92,;8.83,-3.46,;7.8,-2.32,;6.29,-2.64,;5.81,-4.1,;10.32,-3.06,;11.8,-2.66,;4.48,.04,;5.51,1.18,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC1CCC(CC1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |(2.97,2.08,;1.64,2.85,;1.64,4.39,;.3,2.08,;.3,.54,;1.64,-.23,;1.64,-1.77,;.3,-2.54,;-1.03,-1.77,;-1.03,-.23,;-2.36,.54,;-2.36,2.08,;-3.7,-.23,;-5.03,.54,;-5.03,2.08,;-6.36,2.85,;-7.7,2.08,;-7.7,.54,;-6.36,-.23,;-9.03,2.85,;-10.37,2.08,;-8.26,4.18,;-9.8,4.18,;2.97,-2.54,;3.13,-4.07,;4.64,-4.39,;5.41,-3.06,;6.91,-2.74,;7.39,-1.27,;6.36,-.13,;4.85,-.45,;4.38,-1.91,;8.88,-.87,;10.37,-.48,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(CC1)S(C)(=O)=O)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-1.28,;-8.37,-.51,;-8.37,1.03,;-9.7,.26,;-7.03,-1.28,;-7.03,-2.82,;-5.7,-.51,;-4.36,-1.28,;-3.03,-.51,;-3.03,1.03,;-1.7,-1.28,;-1.7,-2.82,;-.36,-3.59,;.97,-2.82,;.97,-1.28,;-.36,-.51,;-.36,1.03,;.97,1.8,;2.3,1.03,;3.64,1.8,;3.64,3.34,;2.3,4.11,;.97,3.34,;4.97,4.11,;6.31,3.34,;5.74,5.44,;4.2,5.44,;2.3,-3.59,;2.47,-5.12,;3.97,-5.44,;4.74,-4.11,;6.25,-3.79,;6.72,-2.32,;5.69,-1.18,;4.19,-1.5,;3.71,-2.96,;8.21,-1.93,;9.7,-1.53,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC[C@H](C1)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r|

O=C(N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N)C1CC1 |r,wU:3.2,wD:6.9,(-8.93,.57,;-8.93,2.11,;-7.6,2.88,;-6.26,2.11,;-4.93,2.88,;-3.59,2.11,;-3.59,.57,;-4.93,-.2,;-6.26,.57,;-2.26,-.2,;-.93,.57,;-.93,2.11,;.41,-.2,;.41,-1.74,;1.74,-2.51,;3.07,-1.74,;3.07,-.2,;1.74,.57,;1.74,2.11,;3.07,2.88,;4.56,2.48,;4.96,3.97,;3.47,4.36,;4.41,-2.51,;4.57,-4.04,;6.08,-4.36,;6.85,-3.03,;8.35,-2.71,;8.83,-1.25,;7.8,-.1,;6.29,-.42,;5.81,-1.89,;10.32,-.85,;11.8,-.45,;-10.26,2.88,;-11.03,4.21,;-11.8,2.88,)|

O[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)C1CC1)-c1ccc2cc(cnn12)C#N |r,wU:20.25,wD:17.18,5.7,1.0,(4.41,5.55,;4.41,4.01,;5.74,3.24,;5.74,1.7,;4.41,.93,;3.07,1.7,;3.07,3.24,;1.74,.93,;1.74,-.61,;3.07,-1.38,;3.07,-2.92,;1.74,-3.69,;.41,-2.92,;.41,-1.38,;-.93,-.61,;-.93,.93,;-2.26,-1.38,;-3.59,-.61,;-3.59,.93,;-4.93,1.7,;-6.26,.93,;-6.26,-.61,;-4.93,-1.38,;-7.6,1.7,;-8.93,.93,;-8.93,-.61,;-10.26,1.7,;-11.03,3.03,;-11.8,1.7,;4.41,-3.69,;4.57,-5.23,;6.08,-5.55,;6.85,-4.21,;8.35,-3.89,;8.83,-2.43,;7.8,-1.28,;6.29,-1.6,;5.81,-3.07,;10.32,-2.03,;11.8,-1.63,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(C)(O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC[C@@H](O)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-c1ccc2cc(cnn12)C#N |r|

CC(=O)N[C@@H]1CCC[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC[C@@H](N)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2CC2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.72,-1.16,;-8.38,-.39,;-8.38,1.15,;-9.72,.38,;-7.05,-1.16,;-7.05,-2.7,;-5.71,-.39,;-4.38,-1.16,;-3.05,-.39,;-3.05,1.15,;-1.71,-1.16,;-1.71,-2.7,;-.38,-3.47,;.95,-2.7,;.95,-1.16,;-.38,-.39,;-.38,1.15,;.95,1.92,;2.44,1.52,;2.84,3.01,;4.17,3.78,;5.51,3.01,;6.84,3.78,;6.84,5.32,;8.18,3.01,;8.95,1.68,;9.72,3.01,;1.35,3.41,;2.29,-3.47,;2.45,-5,;3.96,-5.32,;4.73,-3.99,;6.23,-3.67,;6.71,-2.2,;5.68,-1.06,;4.17,-1.38,;3.69,-2.84,;8.2,-1.8,;9.68,-1.4,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@](C)(N)CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,20.22,wD:17.17,20.21,(-9.7,-.61,;-8.37,.16,;-8.37,1.7,;-9.7,.93,;-7.03,-.61,;-7.03,-2.15,;-5.7,.16,;-4.36,-.61,;-3.03,.16,;-3.03,1.7,;-1.7,-.61,;-1.7,-2.15,;-.36,-2.92,;.97,-2.15,;.97,-.61,;-.36,.16,;-.36,1.7,;.97,2.47,;2.3,1.7,;3.64,2.47,;3.64,4.01,;4.97,3.24,;4.97,4.78,;2.3,4.78,;.97,4.01,;2.3,-2.92,;2.47,-4.46,;3.97,-4.78,;4.74,-3.44,;6.25,-3.12,;6.72,-1.66,;5.69,-.51,;4.19,-.83,;3.71,-2.3,;8.21,-1.26,;9.7,-.86,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CO)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;2.46,2.29,;2.86,3.78,;4.19,4.55,;5.52,3.78,;1.37,4.18,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(CC2)C(F)F)-c1ccc2cc(cnn12)C#N |r|

CCC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:21.23,6.5,wD:8.10,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|

CC(C)OC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.25,8.7,wD:10.12,(10.28,3.01,;8.95,3.78,;8.95,5.32,;7.61,3.01,;6.28,3.78,;6.28,5.32,;4.94,3.01,;3.61,3.78,;2.28,3.01,;1.88,1.52,;.39,1.92,;.79,3.41,;-.94,1.15,;-.94,-.39,;.39,-1.16,;.39,-2.7,;-.94,-3.47,;-2.28,-2.7,;-2.28,-1.16,;-3.61,-.39,;-3.61,1.15,;-4.94,-1.16,;-6.28,-.39,;-7.61,-1.16,;-7.61,-2.7,;-8.95,-.39,;-10.28,-1.16,;-8.95,1.15,;-10.28,.38,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|

CCOC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,7.6,wD:9.11,(10.28,3.01,;8.95,3.78,;7.61,3.01,;6.28,3.78,;6.28,5.32,;4.94,3.01,;3.61,3.78,;2.28,3.01,;1.88,1.52,;.39,1.92,;.79,3.41,;-.94,1.15,;-.94,-.39,;.39,-1.16,;.39,-2.7,;-.94,-3.47,;-2.28,-2.7,;-2.28,-1.16,;-3.61,-.39,;-3.61,1.15,;-4.94,-1.16,;-6.28,-.39,;-7.61,-1.16,;-7.61,-2.7,;-8.95,-.39,;-10.28,-1.16,;-8.95,1.15,;-10.28,.38,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|

CN(C)C(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,7.6,wD:9.11,(9.53,3.78,;8.19,3.01,;8.19,1.47,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-1.16,;-8.37,-.39,;-8.37,1.15,;-9.7,.38,;-7.03,-1.16,;-7.03,-2.7,;-5.7,-.39,;-4.36,-1.16,;-3.03,-.39,;-3.03,1.15,;-1.7,-1.16,;-1.7,-2.7,;-.36,-3.47,;.97,-2.7,;.97,-1.16,;-.36,-.39,;-.36,1.15,;.97,1.92,;2.46,1.52,;2.86,3.01,;4.19,3.78,;5.52,3.01,;6.86,3.78,;6.86,5.32,;8.19,3.01,;9.53,3.78,;8.19,1.47,;8.19,4.55,;1.37,3.41,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|

COC(=O)C12CCC(CC1)(CCC2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:24.27,(5.94,.47,;6.71,1.81,;5.94,3.14,;6.71,4.47,;4.34,3.14,;3.68,1.75,;2.17,1.41,;.97,2.37,;1.74,3.7,;3.01,3.91,;.97,3.91,;2.17,4.87,;3.68,4.53,;-.36,1.6,;-.36,.06,;.97,-.71,;.97,-2.25,;-.36,-3.02,;-1.7,-2.25,;-1.7,-.71,;-3.03,.06,;-3.03,1.6,;-4.36,-.71,;-5.7,.06,;-7.03,-.71,;-7.03,-2.25,;-8.37,.06,;-9.7,-.71,;-8.37,1.6,;-9.7,.83,;2.3,-3.02,;2.47,-4.55,;3.97,-4.87,;4.74,-3.54,;6.25,-3.22,;6.72,-1.75,;5.69,-.61,;4.19,-.93,;3.71,-2.39,;8.21,-1.35,;9.7,-.96,)|

CC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:20.22,5.4,wD:7.9,(8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|

COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:21.23,6.5,wD:8.10,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|

CC(=O)NCC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

COC(=O)NCC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H](C1)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.22,wD:17.17,(-9.7,-1.16,;-8.37,-.39,;-8.37,1.15,;-9.7,.38,;-7.03,-1.16,;-7.03,-2.7,;-5.7,-.39,;-4.36,-1.16,;-3.03,-.39,;-3.03,1.15,;-1.7,-1.16,;-1.7,-2.7,;-.36,-3.47,;.97,-2.7,;.97,-1.16,;-.36,-.39,;-.36,1.15,;.97,1.92,;2.46,1.52,;2.86,3.01,;1.37,3.41,;4.19,3.78,;5.52,3.01,;4.19,5.32,;5.52,4.55,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|

CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:24.26,9.8,wD:11.13,(10.28,3.01,;8.95,3.78,;8.95,5.32,;10.28,4.55,;7.61,3.01,;6.28,3.78,;6.28,5.32,;4.94,3.01,;3.61,3.78,;2.28,3.01,;1.88,1.52,;.39,1.92,;.79,3.41,;-.94,1.15,;-.94,-.39,;.39,-1.16,;.39,-2.7,;-.94,-3.47,;-2.28,-2.7,;-2.28,-1.16,;-3.61,-.39,;-3.61,1.15,;-4.94,-1.16,;-6.28,-.39,;-7.61,-1.16,;-7.61,-2.7,;-8.95,-.39,;-10.28,-1.16,;-8.95,1.15,;-10.28,.38,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|

CC(C)(C)OC(=O)NCC12CC(C1)(C2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NCC(F)(F)CNC(C)=O)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NCC(F)(F)CN)-c1ccc2cc(cnn12)C#N

COC(=O)NC(C)(CCNC(=O)c1cnc(cc1NC(C)C)-c1ccc2cc(cnn12)C#N)C(F)F

CC(C)Nc1cc(ncc1C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)-c1ccc2cc(cnn12)C#N

CC(C)Nc1cc(ncc1C(=O)NCCC(C)(N)C(F)F)-c1ccc2cc(cnn12)C#N

COC(=O)NC[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.25,6.5,wD:9.12,(8.97,5.16,;7.64,4.39,;6.31,5.16,;6.31,6.7,;4.97,4.39,;4.97,2.85,;3.64,2.08,;3.64,.54,;2.3,-.23,;.97,.54,;.97,2.08,;2.3,2.85,;-.36,-.23,;-.36,-1.77,;.97,-2.54,;.97,-4.08,;-.36,-4.85,;-1.7,-4.08,;-1.7,-2.54,;-3.03,-1.77,;-3.03,-.23,;-4.36,-2.54,;-5.7,-1.77,;-7.03,-2.54,;-7.03,-4.08,;-8.37,-1.77,;-9.7,-2.54,;-8.37,-.23,;-9.7,-1,;2.3,-4.85,;2.47,-6.38,;3.97,-6.7,;4.74,-5.37,;6.25,-5.05,;6.72,-3.58,;5.69,-2.44,;4.19,-2.76,;3.71,-4.22,;8.21,-3.18,;9.7,-2.79,)|

CC(=O)NC[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,5.4,wD:8.11,(7.64,4.39,;6.31,5.16,;6.31,6.7,;4.97,4.39,;4.97,2.85,;3.64,2.08,;3.64,.54,;2.3,-.23,;.97,.54,;.97,2.08,;2.3,2.85,;-.36,-.23,;-.36,-1.77,;.97,-2.54,;.97,-4.08,;-.36,-4.85,;-1.7,-4.08,;-1.7,-2.54,;-3.03,-1.77,;-3.03,-.23,;-4.36,-2.54,;-5.7,-1.77,;-7.03,-2.54,;-7.03,-4.08,;-8.37,-1.77,;-9.7,-2.54,;-8.37,-.23,;-9.7,-1,;2.3,-4.85,;2.47,-6.38,;3.97,-6.7,;4.74,-5.37,;6.25,-5.05,;6.72,-3.58,;5.69,-2.44,;4.19,-2.76,;3.71,-4.22,;8.21,-3.18,;9.7,-2.79,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](CN)CC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,20.21,wD:17.17,(-9.7,-1.38,;-8.37,-.61,;-8.37,.93,;-9.7,.16,;-7.03,-1.38,;-7.03,-2.92,;-5.7,-.61,;-4.36,-1.38,;-3.03,-.61,;-3.03,.93,;-1.7,-1.38,;-1.7,-2.92,;-.36,-3.69,;.97,-2.92,;.97,-1.38,;-.36,-.61,;-.36,.93,;.97,1.7,;2.3,.93,;3.64,1.7,;3.64,3.24,;4.97,4.01,;4.97,5.55,;2.3,4.01,;.97,3.24,;2.3,-3.69,;2.47,-5.23,;3.97,-5.55,;4.74,-4.21,;6.25,-3.89,;6.72,-2.43,;5.69,-1.28,;4.19,-1.6,;3.71,-3.07,;8.21,-2.03,;9.7,-1.63,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(C)(N)C(F)F)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r|

CC(C)Nc1cc(ncc1C(=O)NCCC(C)(N)C(F)(F)F)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(C)(N)C(F)(F)F)-c1ccc2cc(cnn12)C#N |r|

Cc1cn2ccc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)cc2n1 |r|

COC(=O)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1OC |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2c(NC(=O)C2(C)C)c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc2cc[nH]c2c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(OC2COC2)cc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2oc(=O)[nH]c2c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2NNNc2c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn2ccnc2c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2c(c[nH]c2c1)C#N)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2ncsc2c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2CC(=O)Nc2c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2cn[nH]c2c1)-c1ccc2cc(cnn12)C#N |r|

CN(C)C(=O)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2[nH]ccc2c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2[nH]ncc2c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2cc[nH]c2c1)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2nc[nH]c2c1)-c1ccc2cc(cnn12)C#N |r|

Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccc1C(N)=O |r|

Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ncc1C(N)=O |r|

Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccc1C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ncc(F)cn1)-c1ccc2cc(cnn12)C#N |r|

Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ncc1C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(Cl)cn1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ncccn1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccnn1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccccc1)-c1ccc2cc(cnn12)C#N |r|

COc1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccnc(F)c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cncc(c1)C(N)=O)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccncc1)-c1ccc2cc(cnn12)C#N |r|

COC(=O)c1cncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|

Cc1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)C#N)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(OC(F)F)nc1)-c1ccc2cc(cnn12)C#N |r|

COc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(F)nc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cncc(F)c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)C(N)=O)-c1ccc2cc(cnn12)C#N |r|

COc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)C#N)-c1ccc2cc(cnn12)C#N |r|

COc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccc1C(N)=O |r|

COc1cncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|

COc1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)c1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(OC(F)(F)F)c1)-c1ccc2cc(cnn12)C#N |r|

COc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cncc(c1)C#N)-c1ccc2cc(cnn12)C#N |r|

COc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccc1C#N |r|

CC1(COC1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N

COC(=O)NC[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NCC#N)-c1ccc2cc(cnn12)C#N |r,wU:8.10,wD:6.5,(8.86,3.78,;7.52,3.01,;6.19,3.78,;6.19,5.32,;4.86,3.01,;3.52,3.78,;2.19,3.01,;.7,3.41,;.3,1.92,;1.79,1.52,;-1.03,1.15,;-1.03,-.39,;.3,-1.16,;.3,-2.7,;-1.03,-3.47,;-2.36,-2.7,;-2.36,-1.16,;-3.7,-.39,;-3.7,1.15,;-5.03,-1.16,;-6.36,-.39,;-7.7,-1.16,;-9.03,-1.93,;1.64,-3.47,;1.8,-5,;3.3,-5.32,;4.07,-3.99,;5.58,-3.67,;6.06,-2.2,;5.03,-1.06,;3.52,-1.38,;3.04,-2.84,;7.54,-1.8,;9.03,-1.4,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)C2CCO2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.89,-1.16,;-8.55,-.39,;-8.55,1.15,;-9.89,.38,;-7.22,-1.16,;-7.22,-2.7,;-5.89,-.39,;-4.55,-1.16,;-3.22,-.39,;-3.22,1.15,;-1.89,-1.16,;-1.89,-2.7,;-.55,-3.47,;.78,-2.7,;.78,-1.16,;-.55,-.39,;-.55,1.15,;.78,1.92,;2.27,1.52,;2.67,3.01,;4,3.78,;5.33,3.01,;6.67,3.78,;6.67,5.32,;8,3.01,;8.4,1.52,;9.89,1.92,;9.49,3.41,;1.18,3.41,;2.11,-3.47,;2.28,-5,;3.78,-5.32,;4.55,-3.99,;6.06,-3.67,;6.53,-2.2,;5.5,-1.06,;4,-1.38,;3.52,-2.84,;8.02,-1.8,;9.51,-1.4,)|

COC(=O)N[C@H]1C[C@H](CNc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)C1 |r,wU:20.21,5.4,wD:7.7,(4.97,5.86,;3.64,5.09,;2.3,5.86,;2.3,7.4,;.97,5.09,;.97,3.55,;2.06,2.47,;.97,1.38,;.97,-.16,;-.36,-.93,;-.36,-2.47,;.97,-3.24,;.97,-4.78,;-.36,-5.55,;-1.7,-4.78,;-1.7,-3.24,;-3.03,-2.47,;-3.03,-.93,;-4.36,-3.24,;-5.7,-2.47,;-7.03,-3.24,;-7.03,-4.78,;-8.37,-2.47,;-9.7,-3.24,;-8.37,-.93,;-9.7,-1.7,;2.3,-5.55,;2.47,-7.08,;3.97,-7.4,;4.74,-6.07,;6.25,-5.75,;6.72,-4.29,;5.69,-3.14,;4.19,-3.46,;3.71,-4.93,;8.21,-3.89,;9.7,-3.49,;-.12,2.47,)|

OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC1CCO1)-c1ccc2cc(cnn12)C#N

OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC1COC1)-c1ccc2cc(cnn12)C#N

COC(=O)N[C@@]1(C)CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.25,5.4,wD:9.12,5.5,(8.97,3.62,;7.64,4.39,;6.31,3.62,;6.31,2.08,;4.97,4.39,;3.64,3.62,;3.64,5.16,;3.64,2.08,;2.3,1.31,;.97,2.08,;.97,3.62,;2.3,4.39,;-.36,1.31,;-.36,-.23,;.97,-1,;.97,-2.54,;-.36,-3.31,;-1.7,-2.54,;-1.7,-1,;-3.03,-.23,;-3.03,1.31,;-4.36,-1,;-5.7,-.23,;-7.03,-1,;-7.03,-2.54,;-8.37,-.23,;-9.7,-1,;-8.37,1.31,;-9.7,.54,;2.3,-3.31,;2.47,-4.84,;3.97,-5.16,;4.74,-3.83,;6.25,-3.51,;6.72,-2.04,;5.69,-.9,;4.19,-1.22,;3.71,-2.68,;8.21,-1.64,;9.7,-1.25,)|

COC(=O)N[C@]1(C)CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:9.12,23.25,5.4,wD:5.5,(8.97,3.62,;7.64,4.39,;6.31,3.62,;6.31,2.08,;4.97,4.39,;3.64,3.62,;3.64,5.16,;2.3,4.39,;.97,3.62,;.97,2.08,;2.3,1.31,;3.64,2.08,;-.36,1.31,;-.36,-.23,;.97,-1,;.97,-2.54,;-.36,-3.31,;-1.7,-2.54,;-1.7,-1,;-3.03,-.23,;-3.03,1.31,;-4.36,-1,;-5.7,-.23,;-7.03,-1,;-7.03,-2.54,;-8.37,-.23,;-9.7,-1,;-8.37,1.31,;-9.7,.54,;2.3,-3.31,;2.47,-4.84,;3.97,-5.16,;4.74,-3.83,;6.25,-3.51,;6.72,-2.04,;5.69,-.9,;4.19,-1.22,;3.71,-2.68,;8.21,-1.64,;9.7,-1.25,)|

COC(=O)N(C)C[C@H]1C[C@@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,7.6,wD:9.11,(9.53,3.78,;8.19,3.01,;6.86,3.78,;6.86,5.32,;5.52,3.01,;5.52,1.47,;4.19,3.78,;2.86,3.01,;2.46,1.52,;.97,1.92,;1.37,3.41,;-.36,1.15,;-.36,-.39,;.97,-1.16,;.97,-2.7,;-.36,-3.47,;-1.7,-2.7,;-1.7,-1.16,;-3.03,-.39,;-3.03,1.15,;-4.36,-1.16,;-5.7,-.39,;-7.03,-1.16,;-7.03,-2.7,;-8.37,-.39,;-9.7,-1.16,;-8.37,1.15,;-9.7,.38,;2.3,-3.47,;2.47,-5,;3.97,-5.32,;4.74,-3.99,;6.25,-3.67,;6.72,-2.2,;5.69,-1.06,;4.19,-1.38,;3.71,-2.84,;8.21,-1.8,;9.7,-1.4,)|

OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCc1ncco1)-c1ccc2cc(cnn12)C#N

CC(C)(O)c1coc(CNC(=O)c2cnc(cc2NC23CCC(O)(CC2)CC3)-c2ccc3cc(cnn23)C#N)n1

OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCC#C)-c1ccc2cc(cnn12)C#N

OC12CCC(CC1)(CC2)Nc1cc(ncc1C(=O)NCc1ccc[nH]c1=O)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)-c1cnco1)-c1ccc2cc(cnn12)C#N |r|

FC1(F)CN(C1)C(=O)CNC(=O)c1cnc(cc1NC1COC1)-c1ccc2cc(cnn12)C#N

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1nnco1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-c1cocn1)-c1ccc2cc(cnn12)C#N |r|

Cc1ncoc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1cnco1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.54,;-8.37,-.77,;-8.37,.77,;-9.7,,;-7.03,-1.54,;-7.03,-3.08,;-5.7,-.77,;-4.36,-1.54,;-3.03,-.77,;-3.03,.77,;-1.7,-1.54,;-1.7,-3.08,;-.36,-3.85,;.97,-3.08,;.97,-1.54,;-.36,-.77,;-.36,.77,;.97,1.54,;.97,3.08,;2.3,3.85,;3.64,3.08,;3.64,1.54,;2.3,.77,;4.97,3.85,;6.38,3.22,;7.41,4.37,;6.64,5.7,;5.13,5.38,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|

Cc1ncoc1[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:9.13,23.26,wD:6.6,(6.7,1.72,;6.38,3.22,;7.41,4.37,;6.64,5.7,;5.13,5.38,;4.97,3.85,;3.64,3.08,;2.3,3.85,;.97,3.08,;.97,1.54,;2.3,.77,;3.64,1.54,;-.36,.77,;-.36,-.77,;.97,-1.54,;.97,-3.08,;-.36,-3.85,;-1.7,-3.08,;-1.7,-1.54,;-3.03,-.77,;-3.03,.77,;-4.36,-1.54,;-5.7,-.77,;-7.03,-1.54,;-7.03,-3.08,;-8.37,-.77,;-9.7,-1.54,;-8.37,.77,;-9.7,,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|

Cc1ncoc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(OC2)c1cnco1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-1.54,;-8.37,-.77,;-8.37,.77,;-9.7,,;-7.03,-1.54,;-7.03,-3.08,;-5.7,-.77,;-4.36,-1.54,;-3.03,-.77,;-3.03,.77,;-1.7,-1.54,;-1.7,-3.08,;-.36,-3.85,;.97,-3.08,;.97,-1.54,;-.36,-.77,;-.36,.77,;.97,1.54,;.97,3.08,;2.3,3.85,;3.64,3.08,;2.1,3.08,;2.51,1.54,;3.64,1.54,;2.3,.77,;4.97,3.85,;6.38,3.22,;7.41,4.37,;6.64,5.7,;5.13,5.38,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|

Cc1ncoc1C12CCC(CC1)(CO2)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:25.29,(6.7,1.72,;6.38,3.22,;7.41,4.37,;6.64,5.7,;5.13,5.38,;4.97,3.85,;3.64,3.08,;2.3,3.85,;.97,3.08,;.97,1.54,;2.51,1.54,;2.1,3.08,;2.3,.77,;3.64,1.54,;-.36,.77,;-.36,-.77,;.97,-1.54,;.97,-3.08,;-.36,-3.85,;-1.7,-3.08,;-1.7,-1.54,;-3.03,-.77,;-3.03,.77,;-4.36,-1.54,;-5.7,-.77,;-7.03,-1.54,;-7.03,-3.08,;-8.37,-.77,;-9.7,-1.54,;-8.37,.77,;-9.7,,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|

CCOc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cnc1-c1cnco1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(Cc2cnco2)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;1.37,4.18,;2.86,3.78,;4.19,4.55,;5.52,3.78,;5.68,2.25,;7.19,1.93,;7.96,3.26,;6.93,4.41,;2.46,2.29,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1nnco1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.54,;-8.37,-.77,;-8.37,.77,;-9.7,,;-7.03,-1.54,;-7.03,-3.08,;-5.7,-.77,;-4.36,-1.54,;-3.03,-.77,;-3.03,.77,;-1.7,-1.54,;-1.7,-3.08,;-.36,-3.85,;.97,-3.08,;.97,-1.54,;-.36,-.77,;-.36,.77,;.97,1.54,;.97,3.08,;2.3,3.85,;3.64,3.08,;3.64,1.54,;2.3,.77,;4.97,3.85,;6.52,3.13,;7.41,4.37,;6.64,5.7,;5.13,5.38,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1cnco1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.54,;-8.37,-.77,;-8.37,.77,;-9.7,,;-7.03,-1.54,;-7.03,-3.08,;-5.7,-.77,;-4.36,-1.54,;-3.03,-.77,;-3.03,.77,;-1.7,-1.54,;-1.7,-3.08,;-.36,-3.85,;.97,-3.08,;.97,-1.54,;-.36,-.77,;-.36,.77,;.97,1.54,;.97,3.08,;2.3,3.85,;3.64,3.08,;3.64,1.54,;2.3,.77,;4.97,3.85,;6.52,3.13,;7.41,4.37,;6.64,5.7,;5.13,5.38,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)-c1cnco1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1nncs1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.54,;-8.37,-.77,;-8.37,.77,;-9.7,,;-7.03,-1.54,;-7.03,-3.08,;-5.7,-.77,;-4.36,-1.54,;-3.03,-.77,;-3.03,.77,;-1.7,-1.54,;-1.7,-3.08,;-.36,-3.85,;.97,-3.08,;.97,-1.54,;-.36,-.77,;-.36,.77,;.97,1.54,;.97,3.08,;2.3,3.85,;3.64,3.08,;3.64,1.54,;2.3,.77,;4.97,3.85,;6.52,3.13,;7.41,4.37,;6.64,5.7,;5.13,5.38,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|

CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C1(O)CC1)-c1ccc2cc(cnn12)C#N |r|

Cc1ncc(o1)C1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-c1ccc2cc(cnn12)C#N |r,wU:23.26,(7.27,6.41,;6.64,5,;7.41,3.66,;6.52,2.43,;4.97,3.15,;5.13,4.68,;3.64,2.38,;3.64,.84,;2.3,.07,;.97,.84,;.97,2.38,;2.3,3.15,;-.36,.07,;-.36,-1.47,;.97,-2.24,;.97,-3.78,;-.36,-4.55,;-1.7,-3.78,;-1.7,-2.24,;-3.03,-1.47,;-3.03,.07,;-4.36,-2.24,;-5.7,-1.47,;-7.03,-2.24,;-7.03,-3.78,;-8.37,-1.47,;-9.7,-2.24,;-8.37,.07,;-9.7,-.7,;2.3,-4.55,;2.47,-6.08,;3.97,-6.41,;4.74,-5.07,;6.25,-4.75,;6.72,-3.29,;5.69,-2.14,;4.19,-2.46,;3.71,-3.93,;8.21,-2.89,;9.7,-2.49,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2c(N)n[nH]c2c1)-c1ccc2cc(cnn12)C#N |r|

COCc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cc1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(OC2COC2)nc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2NC(=O)Cc2c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2OC(F)(F)Oc2c1)-c1ccc2cc(cnn12)C#N |r|

CN1C(=O)C(C)(C)c2ccc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)cc12 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2NC(=O)C(C)(C)c2c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)OCC(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-10.95,-1.16,;-9.61,-.39,;-9.61,1.15,;-10.95,.38,;-8.28,-1.16,;-8.28,-2.7,;-6.94,-.39,;-5.61,-1.16,;-4.28,-.39,;-4.28,1.15,;-2.94,-1.16,;-2.94,-2.7,;-1.61,-3.47,;-.28,-2.7,;-.28,-1.16,;-1.61,-.39,;-1.61,1.15,;-.28,1.92,;1.21,1.52,;1.61,3.01,;2.94,3.78,;4.28,3.01,;5.61,3.78,;5.61,5.32,;6.94,3.01,;8.28,3.78,;9.61,3.01,;10.95,2.24,;10.38,4.34,;8.84,1.68,;.12,3.41,;1.06,-3.47,;1.22,-5,;2.72,-5.32,;3.49,-3.99,;5,-3.67,;5.48,-2.2,;4.45,-1.06,;2.94,-1.38,;2.46,-2.84,;6.96,-1.8,;8.45,-1.4,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)CC(F)(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-10.28,-1.16,;-8.95,-.39,;-8.95,1.15,;-10.28,.38,;-7.61,-1.16,;-7.61,-2.7,;-6.28,-.39,;-4.94,-1.16,;-3.61,-.39,;-3.61,1.15,;-2.28,-1.16,;-2.28,-2.7,;-.94,-3.47,;.39,-2.7,;.39,-1.16,;-.94,-.39,;-.94,1.15,;.39,1.92,;1.88,1.52,;2.28,3.01,;3.61,3.78,;4.94,3.01,;6.28,3.78,;6.28,5.32,;7.61,3.01,;8.95,3.78,;10.28,3.01,;8.95,5.32,;10.28,4.55,;.79,3.41,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)CC(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-10.28,-1.16,;-8.95,-.39,;-8.95,1.15,;-10.28,.38,;-7.61,-1.16,;-7.61,-2.7,;-6.28,-.39,;-4.94,-1.16,;-3.61,-.39,;-3.61,1.15,;-2.28,-1.16,;-2.28,-2.7,;-.94,-3.47,;.39,-2.7,;.39,-1.16,;-.94,-.39,;-.94,1.15,;.39,1.92,;1.88,1.52,;2.28,3.01,;3.61,3.78,;4.94,3.01,;6.28,3.78,;6.28,5.32,;7.61,3.01,;8.95,3.78,;10.28,3.01,;8.95,5.32,;.79,3.41,;1.72,-3.47,;1.89,-5,;3.39,-5.32,;4.16,-3.99,;5.67,-3.67,;6.14,-2.2,;5.11,-1.06,;3.61,-1.38,;3.13,-2.84,;7.63,-1.8,;9.12,-1.4,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(N)nc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(N)nc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,24.24,wD:17.17,26.28,(-10.38,-1.16,;-9.05,-.39,;-9.05,1.15,;-10.38,.38,;-7.71,-1.16,;-7.71,-2.7,;-6.38,-.39,;-5.05,-1.16,;-3.71,-.39,;-3.71,1.15,;-2.38,-1.16,;-2.38,-2.7,;-1.05,-3.47,;.29,-2.7,;.29,-1.16,;-1.05,-.39,;-1.05,1.15,;.29,1.92,;1.78,1.52,;2.17,3.01,;3.51,3.78,;4.84,3.01,;6.17,3.78,;6.17,5.32,;7.51,3.01,;8.28,1.68,;9.05,3.01,;10.38,3.78,;.69,3.41,;1.62,-3.47,;1.78,-5,;3.29,-5.32,;4.06,-3.99,;5.56,-3.67,;6.04,-2.2,;5.01,-1.06,;3.5,-1.38,;3.03,-2.84,;7.53,-1.8,;9.02,-1.4,)|

Cc1n[nH]c2cc(Nc3cc(ncc3C(=O)NC[C@@H](F)C(C)(C)O)-c3ccc4cc(cnn34)C#N)ccc12 |r|

CNc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(=O)Nc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

COCCOc1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CO)nc1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2NC(=O)C3(CC3)c2c1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)C1CC1)-c1ccc2cc(cnn12)C#N |r|

COc1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)nc1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc2NC(=O)Cc2c1)-c1ccc2cc(cnn12)C#N |r|

CN(C)c1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CO)cn1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1Cc2ccncc2C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r|

CNC(=O)c1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)N1CCC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(CC#N)nc1)-c1ccc2cc(cnn12)C#N |r|

CN(C)c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CCc1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)N1CCC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)N1CC(F)(F)C1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)C(C)(C)C#N)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(nc1)N1CC2(COC2)C1)-c1ccc2cc(cnn12)C#N |r|

COc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)ccc1N1CCOCC1 |r|

C[C@H]1CN(C[C@@H](C)O1)c1ncc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-c2ccc3cc(cnn23)C#N)cn1 |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(F)cn1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)N1CCS(=O)(=O)CC1)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnc(nc1)N1CC2(C1)CCOCC2)-c1ccc2cc(cnn12)C#N |r|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(C)(CC1)N1CCOCC1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-1.76,;-8.37,-.99,;-8.37,.55,;-9.7,-.22,;-7.03,-1.76,;-7.03,-3.3,;-5.7,-.99,;-4.36,-1.76,;-3.03,-.99,;-3.03,.55,;-1.7,-1.76,;-1.7,-3.3,;-.36,-4.07,;.97,-3.3,;.97,-1.76,;-.36,-.99,;-.36,.55,;.97,1.32,;2.3,.55,;3.64,1.32,;3.64,2.86,;3.64,4.4,;2.3,3.63,;.97,2.86,;4.97,3.63,;6.31,2.86,;7.66,3.63,;7.66,5.17,;6.33,5.92,;4.97,5.17,;2.3,-4.07,;2.47,-5.6,;3.97,-5.92,;4.74,-4.59,;6.25,-4.27,;6.72,-2.81,;5.69,-1.66,;4.19,-1.98,;3.71,-3.45,;8.21,-2.41,;9.7,-2.01,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CN)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-.39,;-8.37,.38,;-8.37,1.92,;-9.7,1.15,;-7.03,-.39,;-7.03,-1.93,;-5.7,.38,;-4.36,-.39,;-3.03,.38,;-3.03,1.92,;-1.7,-.39,;-1.7,-1.93,;-.36,-2.7,;.97,-1.93,;.97,-.39,;-.36,.38,;-.36,1.92,;.97,2.69,;2.46,2.29,;2.86,3.78,;4.19,4.55,;5.52,3.78,;1.37,4.18,;2.3,-2.7,;2.47,-4.23,;3.97,-4.55,;4.74,-3.22,;6.25,-2.9,;6.72,-1.43,;5.69,-.29,;4.19,-.61,;3.71,-2.07,;8.21,-1.03,;9.7,-.63,)|

CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1-c1ccc2cc(cnn12)C#N)-c1ccc2cc(cnn12)C#N |r|