336 SMILES Strings for Interleukin-1 receptor-associated kinase 1 [194-712]

Compound Name
SMILES String
Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cnn(CCNC(=O)c2n1)c4)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cncc(CNC(=O)c2n1)c4)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(OCCNC(=O)c2n1)ccc4=O)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCCNC(=O)c2n1)ccc4=O)c3
O=C1NCCCOc2ccc(=O)n(Cc3cccc(c3)C(=O)Nc3cn(nc13)C1CCOCC1)n2
CC(C)(C)n1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)n3
O=C1NCCCOc2ccc(=O)n(Cc3cccc(n3)C(=O)Nc3cn(nc13)C1CCOCC1)n2
CC(C)(C)n1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)n3
OC1CNC(=O)c2nn(cc2NC(=O)c2cccc(Cn3nc(OC1)ccc3=O)c2)C1CCOCC1
Cn1cc2NC(=O)c3cccc(Cn4nc(OCC(O)CNC(=O)c2n1)ccc4=O)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4ccnc(CNC(=O)c2n1)c4)c3
Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc(CCNC(=O)c2n1)c4)c3
Cc1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc(CCn2n1)c4)c3
Cn1cc(cn1)-c1cccc(c1)-c1ccc(cn1)-c1cnn(c1)C1CCNCC1
Cn1cc(cn1)-c1cccc(n1)-c1ccc(cn1)-c1cnn(c1)C1CCNCC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCN(C2)C(=O)OC(C)(C)C)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCNC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCCC(CNC(=O)OC(C)(C)C)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCCC(CN)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCNCC2)n1
Cn1ccc(n1)-c1cnc(nc1OCC1CCCCO1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(OCC2(C)COC2)n1
Cn1ccc(n1)-c1cnc(nc1NCC1CCCNC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(OCC2COC2)n1
Cn1ccc(n1)-c1cnc(nc1NCC1CCNCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCOCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCN(CC2)S(C)(=O)=O)n1
CC(C)Nc1nc(ncc1-c1nnc(C)s1)-c1cccc(c1)-c1cnn(C)c1
CC(C)Nc1nc(ncc1-c1nnc(s1)C(=O)N1CC[C@@H](O)C1)-c1cccc(c1)-c1cnn(C)c1 |r|
Cc1nnc(s1)-c1cnc(nc1NC1CCCNC1)-c1cccc(c1)-c1cnn(C)c1
COC(=O)c1nnc(s1)-c1cnc(nc1NC1CCCNC1)-c1cccc(c1)-c1cnn(C)c1
COC(=O)c1nnc(s1)-c1cnc(nc1NCC1CNC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2nnc(s2)C(=O)N2CC[C@@H](O)C2)c(NC2CCCNC2)n1 |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@H](O)C1)-c1cccc(c1)-c1cnn(C)c1 |r|
CC(C)Nc1cc(ncc1-c1nnc(s1)C(=O)N1CC[C@H](O)C1)-c1cccc(n1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1cc(c(cn1)-c1cnn(c1)C1CCOCC1)C(F)(F)F
Cc1cc(ncc1-c1cnn(c1)C1CCOCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(N)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(O)=O)n1
Cn1ccc(n1)-c1cnc(nc1NC1CCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(CN)(CCl)C2)n1 |(3.14,5.83,;1.65,6.23,;.74,4.98,;-.72,5.46,;-.72,7,;.75,7.48,;-2.06,4.7,;-3.39,5.47,;-4.72,4.7,;-4.73,3.16,;-3.4,2.39,;-2.06,3.16,;-3.4,.85,;-4.73,.08,;-4.74,-1.46,;-3.41,-2.23,;-3.41,-3.77,;-4.66,-4.67,;-4.19,-6.14,;-2.65,-6.14,;-1.88,-7.48,;-2.17,-4.68,;-2.07,-1.46,;-.74,-2.24,;.6,-1.47,;2.08,-1.87,;2.48,-.39,;2.89,1.1,;4.37,.7,;3.97,-.79,;4.74,-2.12,;1,.02,;-2.07,.08,)|
Cn1ccc(n1)-c1cnc(nc1NC1CC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCCC2)n1
Cn1ccc(n1)-c1cnc(nc1NC1CCCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCO)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCOCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCc2ccncc2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCOC2=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCCC2=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCN2CCCC2=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCOC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC(F)(F)C2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(C)CCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CC[C@H](N)CC2)n1 |r,wU:24.26,27.30,(3.21,5.83,;1.72,6.23,;.81,4.98,;-.65,5.46,;-.65,7,;.82,7.48,;-1.99,4.7,;-3.32,5.47,;-4.65,4.7,;-4.66,3.16,;-3.32,2.39,;-1.99,3.16,;-3.33,.85,;-4.66,.08,;-4.67,-1.46,;-3.33,-2.23,;-3.34,-3.77,;-4.59,-4.67,;-4.11,-6.14,;-2.57,-6.14,;-1.8,-7.48,;-2.09,-4.68,;-2,-1.46,;-.67,-2.24,;.67,-1.47,;2,-2.24,;3.33,-1.47,;3.33,.07,;4.67,.84,;2,.84,;.67,.07,;-2,.08,)|
CN(CC1(F)COC1)c1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2C[C@H](O)C2)n1 |r,wU:24.26,26.29,(3.6,5.83,;2.11,6.23,;1.2,4.98,;-.26,5.46,;-.26,7,;1.21,7.48,;-1.59,4.7,;-2.93,5.47,;-4.26,4.7,;-4.27,3.16,;-2.93,2.39,;-1.6,3.16,;-2.94,.85,;-4.27,.08,;-4.28,-1.46,;-2.94,-2.23,;-2.95,-3.77,;-4.2,-4.67,;-3.72,-6.14,;-2.18,-6.14,;-1.41,-7.48,;-1.7,-4.68,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;2.54,-1.87,;2.94,-.38,;4.28,.39,;1.46,.02,;-1.61,.08,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](O)C2)n1 |r,wU:24.26,wD:26.29,(3.6,5.83,;2.11,6.23,;1.2,4.98,;-.26,5.46,;-.26,7,;1.21,7.48,;-1.59,4.7,;-2.93,5.47,;-4.26,4.7,;-4.27,3.16,;-2.93,2.39,;-1.6,3.16,;-2.94,.85,;-4.27,.08,;-4.28,-1.46,;-2.94,-2.23,;-2.95,-3.77,;-4.2,-4.67,;-3.72,-6.14,;-2.18,-6.14,;-1.41,-7.48,;-1.7,-4.68,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;1.46,.02,;2.94,-.38,;4.28,.39,;2.54,-1.87,;-1.61,.08,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(F)(F)C2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](C2)S(C)(=O)=O)n1 |r,wU:24.26,26.31,(2.93,5.83,;1.45,6.23,;.54,4.98,;-.93,5.46,;-.92,7,;.54,7.48,;-2.26,4.7,;-3.59,5.47,;-4.93,4.7,;-4.93,3.16,;-3.6,2.39,;-2.26,3.16,;-3.6,.85,;-4.94,.08,;-4.94,-1.46,;-3.61,-2.23,;-3.61,-3.77,;-4.86,-4.67,;-4.39,-6.14,;-2.85,-6.14,;-2.08,-7.48,;-2.37,-4.68,;-2.28,-1.46,;-.94,-2.24,;.39,-1.47,;.79,.02,;2.28,-.38,;1.88,-1.86,;3.61,.4,;4.94,-.37,;2.84,1.73,;4.38,1.73,;-2.27,.08,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(F)C2)n1 |(3.6,5.83,;2.11,6.23,;1.21,4.98,;-.26,5.46,;-.25,7,;1.21,7.48,;-1.59,4.7,;-2.93,5.47,;-4.26,4.7,;-4.26,3.16,;-2.93,2.39,;-1.6,3.16,;-2.94,.85,;-4.27,.08,;-4.27,-1.46,;-2.94,-2.23,;-2.95,-3.77,;-4.19,-4.67,;-3.72,-6.14,;-2.18,-6.14,;-1.41,-7.48,;-1.7,-4.68,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;1.45,.02,;2.94,-.38,;4.27,.4,;2.55,-1.86,;-1.6,.08,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCN2CCOCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(O)COC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(CO)CCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H](O)CO)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCS(=O)(=O)CC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@@H](O)CO)n1 |r|
CC(=O)NCCNc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCNC2=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CNCCO2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC(=O)NC2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@@H]2CCC(=O)N2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2C[C@H](N)C2)n1 |r,wU:24.26,26.29,(3.6,5.83,;2.11,6.23,;1.2,4.98,;-.26,5.46,;-.26,7,;1.21,7.48,;-1.6,4.7,;-2.93,5.47,;-4.26,4.7,;-4.27,3.16,;-2.94,2.39,;-1.6,3.16,;-2.94,.85,;-4.28,.08,;-4.28,-1.46,;-2.95,-2.23,;-2.95,-3.77,;-4.2,-4.67,;-3.73,-6.14,;-2.19,-6.14,;-1.42,-7.48,;-1.71,-4.68,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;2.54,-1.87,;2.94,-.39,;4.28,.38,;1.46,.02,;-1.61,.08,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2COC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CCNC2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3(CC(N)C3)C2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(N)(C2)CC3)n1 |(3.28,5.83,;1.79,6.23,;.88,4.98,;-.58,5.46,;-.58,7,;.89,7.48,;-1.91,4.7,;-3.25,5.47,;-4.58,4.7,;-4.59,3.16,;-3.25,2.39,;-1.92,3.16,;-3.26,.85,;-4.59,.08,;-4.6,-1.46,;-3.26,-2.23,;-3.27,-3.77,;-4.52,-4.67,;-4.04,-6.14,;-2.5,-6.14,;-1.73,-7.48,;-2.02,-4.68,;-1.93,-1.46,;-.6,-2.24,;.74,-1.47,;2.2,-1.95,;3.11,-.7,;4.6,-1.1,;1.83,-.38,;2.2,.55,;.74,.07,;-1.93,.08,)|
Cn1ccc(n1)-c1cnc(nc1NCCCN1CCOC1=O)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2ccn(C)n2)c(NCCCO)n1
Cn1ccc(n1)-c1cnc(nc1NCCN1CCOCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NCCN1CCCC1=O)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2ccn(C)n2)c(NCC2(C)CCC2)n1
Cn1ccc(n1)-c1cnc(nc1NCCCN1CCCC1=O)-c1cccc(c1)-c1cnn(C)c1
CC(=O)NCCNc1nc(ncc1-c1ccn(C)n1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NCC1CCNC(=O)C1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NCCCN1CCOCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCNC(=O)C2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2[C@@H]3CNC[C@H]23)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCN2CCOC2=O)n1
Cn1ccc(n1)-c1cnc(nc1N[C@H]1C[C@H](C1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,15.19,(-2.08,-7.48,;-2.85,-6.14,;-4.39,-6.14,;-4.86,-4.67,;-3.62,-3.77,;-2.37,-4.68,;-3.61,-2.23,;-4.95,-1.46,;-4.94,.08,;-3.61,.85,;-2.27,.08,;-2.28,-1.46,;-.95,-2.24,;.39,-1.47,;.79,.02,;2.28,-.39,;1.88,-1.87,;3.61,.38,;4.95,-.39,;2.84,1.72,;4.38,1.72,;-3.6,2.39,;-4.93,3.16,;-4.93,4.7,;-3.6,5.47,;-2.26,4.7,;-2.27,3.16,;-.93,5.46,;-.92,7,;.54,7.48,;1.44,6.23,;2.93,5.83,;.54,4.98,)|
Cn1ccc(n1)-c1cnc(nc1NC1CC(F)C1)-c1cccc(c1)-c1cnn(C)c1 |(-1.42,-7.48,;-2.19,-6.14,;-3.73,-6.14,;-4.2,-4.67,;-2.95,-3.77,;-1.71,-4.68,;-2.95,-2.23,;-4.28,-1.46,;-4.28,.08,;-2.94,.85,;-1.61,.08,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;2.54,-1.87,;2.94,-.39,;4.28,.38,;1.46,.02,;-2.94,2.39,;-4.27,3.16,;-4.26,4.7,;-2.93,5.47,;-1.6,4.7,;-1.6,3.16,;-.26,5.46,;-.26,7,;1.21,7.48,;2.11,6.23,;3.6,5.83,;1.2,4.98,)|
Cn1ccc(n1)-c1cnc(nc1NCC1CC(F)(F)C1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NC1CC(O)C1)-c1cccc(c1)-c1cnn(C)c1 |(-1.41,-7.48,;-2.18,-6.14,;-3.72,-6.14,;-4.2,-4.67,;-2.95,-3.77,;-1.7,-4.68,;-2.94,-2.23,;-4.28,-1.46,;-4.27,.08,;-2.94,.85,;-1.61,.08,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;2.54,-1.87,;2.94,-.38,;4.28,.39,;1.46,.02,;-2.93,2.39,;-4.27,3.16,;-4.26,4.7,;-2.93,5.47,;-1.59,4.7,;-1.6,3.16,;-.26,5.46,;-.26,7,;1.21,7.48,;2.11,6.23,;3.6,5.83,;1.2,4.98,)|
Cn1ccc(n1)-c1cnc(nc1NC[C@@H](O)CO)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1ccc(n1)-c1cnc(nc1NCCN1CCS(=O)(=O)CC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC2CCNC2)n1
CN1C(=O)CC[C@]11CC[C@@H](CC1)n1cc(cn1)-c1cnc(nc1NCC1CCNCC1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:9.13,6.6,(-6.28,-7.79,;-4.94,-8.56,;-4.94,-10.1,;-6.28,-10.87,;-3.48,-10.57,;-2.57,-9.33,;-3.48,-8.08,;-1.94,-8.08,;-1.17,-6.75,;-1.94,-5.41,;-3.48,-5.41,;-4.25,-6.75,;-1.17,-4.08,;-1.64,-2.61,;-.39,-1.71,;.85,-2.62,;.37,-4.08,;-.39,-.17,;-1.72,.6,;-1.72,2.14,;-.38,2.91,;.95,2.13,;.94,.59,;2.28,-.18,;2.28,-1.72,;3.61,-2.49,;3.61,-4.03,;4.94,-4.8,;6.28,-4.03,;6.28,-2.49,;4.94,-1.72,;-.38,4.45,;-1.71,5.22,;-1.71,6.76,;-.37,7.53,;.96,6.75,;.96,5.21,;2.29,7.52,;3.76,7.04,;4.67,8.29,;3.76,9.53,;4.53,10.87,;2.3,9.06,)|
CN1C(=O)CC[C@]11CC[C@@H](CC1)n1cc(cn1)-c1cnc(nc1NCC1CCN(C)CC1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:9.13,6.6,(-6.94,-7.79,;-5.61,-8.56,;-5.61,-10.1,;-6.94,-10.87,;-4.15,-10.57,;-3.24,-9.33,;-4.15,-8.08,;-2.61,-8.08,;-1.84,-6.75,;-2.61,-5.41,;-4.15,-5.41,;-4.92,-6.75,;-1.84,-4.08,;-2.31,-2.61,;-1.06,-1.71,;.18,-2.62,;-.3,-4.08,;-1.06,-.17,;-2.39,.6,;-2.39,2.14,;-1.05,2.91,;.28,2.13,;.28,.59,;1.61,-.18,;1.61,-1.72,;2.94,-2.49,;2.94,-4.03,;4.28,-4.8,;5.61,-4.03,;6.94,-4.8,;5.61,-2.49,;4.28,-1.72,;-1.05,4.45,;-2.38,5.22,;-2.37,6.76,;-1.04,7.53,;.29,6.75,;.29,5.21,;1.63,7.52,;3.09,7.04,;4,8.29,;3.1,9.53,;3.87,10.87,;1.63,9.06,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCCN)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCN)n1
Cn1ccc(n1)-c1cnc(nc1NC1CC(F)(F)C1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NCCN1CCOC1=O)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2(CO)COC2)n1
Cn1ccc(n1)-c1cnc(nc1NC1(CO)COC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@@H]2O)n1 |r|
Cn1ccc(n1)-c1cnc(nc1N[C@H]1CCC[C@@H]1O)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCO)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2ccn(C)n2)c(NCCCCO)n1
Cn1ccc(n1)-c1cnc(nc1NC1CC2(CC(N)C2)C1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NC1CC(CN)(CCl)C1)-c1cccc(c1)-c1cnn(C)c1 |(-1.69,-7.48,;-2.46,-6.14,;-4,-6.14,;-4.48,-4.67,;-3.23,-3.77,;-1.98,-4.68,;-3.22,-2.23,;-4.56,-1.46,;-4.55,.08,;-3.22,.85,;-1.88,.08,;-1.89,-1.46,;-.56,-2.24,;.78,-1.47,;2.27,-1.87,;2.67,-.39,;3.07,1.1,;4.56,.7,;4.15,-.79,;4.55,-2.28,;1.18,.02,;-3.21,2.39,;-4.54,3.16,;-4.54,4.7,;-3.21,5.47,;-1.87,4.7,;-1.88,3.16,;-.54,5.46,;-.54,7,;.93,7.48,;1.83,6.23,;3.37,6.23,;.92,4.98,)|
Cn1ccc(n1)-c1cnc(nc1NCCO)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCCO)n1
Cn1ccc(n1)-c1cnc(nc1NC1CCC(=O)NC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(=O)NC2)n1
Cn1ccc(n1)-c1cnc(nc1NC[C@H]1CCNC1)-c1cccc(c1)-c1cnn(C)c1 |r|
CN1CCOC(CNc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2nnc(s2)C(=O)N2CC[C@@H](O)C2)c(NCC2CNC2)n1 |r|
Cn1ccc(n1)-c1cnc(nc1N[C@@H]1CC[C@H](N)C1)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CC[C@H](N)C2)n1 |r|
CC(=O)NCCCNc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCC(O)CC2)n1
Cn1ccc(n1)-c1cnc(nc1N[C@@H]1CC[C@H](N)CC1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,16.18,(-1.81,-7.48,;-2.58,-6.14,;-4.12,-6.14,;-4.59,-4.67,;-3.34,-3.77,;-2.1,-4.68,;-3.34,-2.23,;-4.67,-1.46,;-4.66,.08,;-3.33,.85,;-2,.08,;-2,-1.46,;-.67,-2.24,;.67,-1.47,;2,-2.24,;3.33,-1.47,;3.33,.07,;4.67,.84,;2,.84,;.67,.07,;-3.33,2.39,;-4.66,3.16,;-4.65,4.7,;-3.32,5.47,;-1.99,4.7,;-1.99,3.16,;-.65,5.46,;-.65,7,;.82,7.48,;1.72,6.23,;3.26,6.23,;.81,4.98,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(O)CCNCC2(C)C)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CNC[C@H]2O)n1 |r|
Cn1ccc(n1)-c1cnc(nc1NCC1(O)CCNCC1(C)C)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NCC1CNCCO1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NC[C@H]1CCNC[C@H]1O)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1ccc(n1)-c1cnc(nc1N[C@H]1CCNC1)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(OCC2CCCO2)n1
Cn1ccc(n1)-c1cnc(nc1NC1CCOC1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NC[C@H](O)CO)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCNC2)n1 |r|
Cn1ccc(n1)-c1cnc(nc1NCC1CCCC(O)C1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCC(O)C2)n1
Cn1ccc(n1)-c1cnc(nc1N[C@@H]1C[C@H](N)C1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,15.17,(-1.42,-7.48,;-2.19,-6.14,;-3.73,-6.14,;-4.2,-4.67,;-2.95,-3.77,;-1.71,-4.68,;-2.95,-2.23,;-4.28,-1.46,;-4.28,.08,;-2.94,.85,;-1.61,.08,;-1.61,-1.46,;-.28,-2.24,;1.06,-1.47,;2.54,-1.87,;2.94,-.39,;4.28,.38,;1.46,.02,;-2.94,2.39,;-4.27,3.16,;-4.26,4.7,;-2.93,5.47,;-1.6,4.7,;-1.6,3.16,;-.26,5.46,;-.26,7,;1.21,7.48,;2.11,6.23,;3.6,5.83,;1.2,4.98,)|
Cn1ccc(n1)-c1cnc(nc1NC1CCCCNC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CCNC[C@H]2O)n1 |r|
Cc1nnc(s1)-c1cnc(nc1NCCN1CCS(=O)(=O)CC1)-c1cccc(c1)-c1cnn(C)c1
Cc1nnc(s1)-c1cnc(nc1NC1CCC(N)CC1)-c1cccc(c1)-c1cnn(C)c1 |(-5.09,-8.14,;-4.31,-6.81,;-2.77,-6.81,;-2.29,-5.35,;-3.53,-4.44,;-4.78,-5.34,;-3.53,-2.9,;-4.86,-2.13,;-4.86,-.59,;-3.52,.18,;-2.19,-.59,;-2.2,-2.13,;-.86,-2.91,;.62,-2.51,;1.71,-3.6,;3.2,-3.2,;3.6,-1.71,;5.09,-1.31,;2.51,-.62,;1.02,-1.02,;-3.52,1.72,;-4.85,2.49,;-4.85,4.03,;-3.51,4.8,;-2.18,4.03,;-2.18,2.49,;-.85,4.79,;.62,4.31,;1.53,5.56,;.62,6.8,;1.39,8.14,;-.84,6.33,)|
Cc1nnc(s1)-c1cnc(nc1N[C@H]1CC[C@H](CC1)NS(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,16.21,(-6.37,-8.14,;-5.6,-6.81,;-4.06,-6.81,;-3.58,-5.35,;-4.82,-4.44,;-6.07,-5.34,;-4.82,-2.9,;-6.15,-2.13,;-6.15,-.59,;-4.81,.18,;-3.48,-.59,;-3.48,-2.13,;-2.15,-2.91,;-.66,-2.51,;-.27,-1.02,;1.22,-.62,;2.31,-1.71,;1.91,-3.2,;.42,-3.6,;3.8,-1.31,;4.89,-2.4,;5.98,-3.49,;6.37,-2,;4.49,-3.89,;-4.81,1.72,;-6.14,2.49,;-6.14,4.03,;-4.8,4.8,;-3.47,4.03,;-3.47,2.49,;-2.13,4.79,;-.67,4.31,;.24,5.56,;-.66,6.8,;.11,8.14,;-2.13,6.33,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CNC[C@@H](F)C2)n1 |r|
Cn1ccc(n1)-c1cnc(nc1N[C@@H]1CCC[C@@H](O)[C@H]1O)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1ccc(n1)-c1cnc(nc1O[C@@H]1CCC[C@@H](N)[C@@H]1O)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCC[C@@H](O)[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(O[C@@H]2CCC[C@@H](N)[C@@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC(C)(C)O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCC(F)(F)CC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCOCC2)n1
Cn1ccc(n1)-c1cnc(nc1NC1CCOCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCC(C)(C)O)n1
Cn1ccc(n1)-c1cnc(nc1NCCCC(C)(C)O)-c1cccc(c1)-c1cnn(C)c1
CN(CC1CC(F)(F)C1)c1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
CN(CC1CC(F)(F)C1)c1nc(ncc1-c1ccn(C)n1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:27.30,wD:24.26,(3.19,5.84,;1.7,6.23,;.8,4.99,;-.67,5.46,;-.67,7,;.8,7.48,;-2,4.69,;-3.33,5.46,;-4.67,4.69,;-4.67,3.15,;-3.33,2.38,;-2,3.15,;-3.33,.84,;-4.67,.07,;-4.67,-1.47,;-3.33,-2.24,;-3.33,-3.78,;-4.58,-4.68,;-4.1,-6.15,;-2.56,-6.15,;-1.79,-7.48,;-2.09,-4.68,;-2,-1.47,;-.67,-2.24,;.67,-1.47,;2,-2.24,;3.33,-1.47,;3.33,.07,;4.67,.84,;2,.84,;.67,.07,;-2,.07,)|
Cn1ccc(n1)-c1cnc(nc1NCC1CCNC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCNC2)n1
Cc1nnc(s1)-c1cnc(nc1NCCN1CCOCC1)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1N[C@H]1CC[C@H](O)CC1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:16.18,wD:13.14,(-1.79,-7.48,;-2.56,-6.15,;-4.1,-6.15,;-4.58,-4.68,;-3.33,-3.78,;-2.09,-4.68,;-3.33,-2.24,;-4.67,-1.47,;-4.67,.07,;-3.33,.84,;-2,.07,;-2,-1.47,;-.67,-2.24,;.67,-1.47,;2,-2.24,;3.33,-1.47,;3.33,.07,;4.67,.84,;2,.84,;.67,.07,;-3.33,2.38,;-4.67,3.15,;-4.67,4.69,;-3.33,5.46,;-2,4.69,;-2,3.15,;-.67,5.46,;-.67,7,;.8,7.48,;1.7,6.23,;3.19,5.84,;.8,4.99,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCNCC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.30,wD:24.26,(3.19,5.84,;1.7,6.23,;.8,4.99,;-.67,5.46,;-.67,7,;.8,7.48,;-2,4.69,;-3.33,5.46,;-4.67,4.69,;-4.67,3.15,;-3.33,2.38,;-2,3.15,;-3.33,.84,;-4.67,.07,;-4.67,-1.47,;-3.33,-2.24,;-3.33,-3.78,;-4.58,-4.68,;-4.1,-6.15,;-2.56,-6.15,;-1.79,-7.48,;-2.09,-4.68,;-2,-1.47,;-.67,-2.24,;.67,-1.47,;2,-2.24,;3.33,-1.47,;3.33,.07,;4.67,.84,;2,.84,;.67,.07,;-2,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC3CNCC23)n1
Cc1nnc(s1)-c1cnc(nc1NC1CCN(CC1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1
Cn1ccc(n1)-c1cnc(nc1NC1C2CCCC1CC(N)C2)-c1cccc(c1)-c1cnn(C)c1 |THB:21:20:13:15.17.16,12:13:15.17.16:19.22.20,(-1.52,-7.48,;-2.29,-6.15,;-3.83,-6.15,;-4.3,-4.68,;-3.06,-3.78,;-1.81,-4.68,;-3.06,-2.24,;-4.39,-1.47,;-4.39,.07,;-3.06,.84,;-1.72,.07,;-1.72,-1.47,;-.39,-2.24,;.94,-1.47,;1.34,.02,;2.88,.02,;4.2,.81,;3.8,-.67,;2.26,-.67,;2.26,.87,;3.06,2.19,;4.39,2.96,;1.33,1.79,;-3.06,2.38,;-4.39,3.15,;-4.39,4.69,;-3.06,5.46,;-1.72,4.69,;-1.72,3.15,;-.39,5.46,;-.39,7,;1.08,7.48,;1.98,6.23,;3.47,5.84,;1.08,4.99,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2C3CCCC2CC(N)C3)n1 |THB:32:31:24:26.28.27,23:24:26.28.27:30.33.31,(3.47,5.84,;1.98,6.23,;1.08,4.99,;-.39,5.46,;-.39,7,;1.08,7.48,;-1.72,4.69,;-3.06,5.46,;-4.39,4.69,;-4.39,3.15,;-3.06,2.38,;-1.72,3.15,;-3.06,.84,;-4.39,.07,;-4.39,-1.47,;-3.06,-2.24,;-3.06,-3.78,;-4.3,-4.68,;-3.83,-6.15,;-2.29,-6.15,;-1.52,-7.48,;-1.81,-4.68,;-1.72,-1.47,;-.39,-2.24,;.94,-1.47,;1.34,.02,;2.88,.02,;4.2,.81,;3.8,-.67,;2.26,-.67,;2.26,.87,;3.06,2.19,;4.39,2.96,;1.33,1.79,;-1.72,.07,)|
Cn1ccc(n1)-c1cnc(nc1NC1CCC2CNCC12)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@@H]2CC[C@H](O)CC2)n1 |r,wU:25.27,28.31,(2.52,5.84,;1.04,6.23,;.13,4.99,;-1.33,5.46,;-1.33,7,;.13,7.48,;-2.67,4.69,;-4,5.46,;-5.33,4.69,;-5.33,3.15,;-4,2.38,;-2.67,3.15,;-4,.84,;-5.33,.07,;-5.33,-1.47,;-4,-2.24,;-4,-3.78,;-5.25,-4.68,;-4.77,-6.15,;-3.23,-6.15,;-2.46,-7.48,;-2.76,-4.68,;-2.67,-1.47,;-1.33,-2.24,;,-1.47,;1.33,-2.24,;1.33,-3.78,;2.67,-4.55,;4,-3.78,;5.33,-4.55,;4,-2.24,;2.67,-1.47,;-2.67,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.31,wD:25.27,(2.52,5.84,;1.04,6.23,;.13,4.99,;-1.33,5.46,;-1.33,7,;.13,7.48,;-2.67,4.69,;-4,5.46,;-5.33,4.69,;-5.33,3.15,;-4,2.38,;-2.67,3.15,;-4,.84,;-5.33,.07,;-5.33,-1.47,;-4,-2.24,;-4,-3.78,;-5.25,-4.68,;-4.77,-6.15,;-3.23,-6.15,;-2.46,-7.48,;-2.76,-4.68,;-2.67,-1.47,;-1.33,-2.24,;,-1.47,;1.33,-2.24,;1.33,-3.78,;2.67,-4.55,;4,-3.78,;5.33,-4.55,;4,-2.24,;2.67,-1.47,;-2.67,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCN(C2)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2C3CCCC2CC(C3)NS(C)(=O)=O)n1 |THB:33:31:24:26.28.27,23:24:26.28.27:30.32.31,(2.13,5.84,;.65,6.23,;-.26,4.99,;-1.72,5.46,;-1.72,7,;-.26,7.48,;-3.06,4.69,;-4.39,5.46,;-5.72,4.69,;-5.72,3.15,;-4.39,2.38,;-3.06,3.15,;-4.39,.84,;-5.72,.07,;-5.72,-1.47,;-4.39,-2.24,;-4.39,-3.78,;-5.64,-4.68,;-5.16,-6.15,;-3.62,-6.15,;-2.85,-7.48,;-3.14,-4.68,;-3.06,-1.47,;-1.72,-2.24,;-.39,-1.47,;.01,.02,;1.55,.02,;2.87,.81,;2.47,-.67,;.93,-.67,;.93,.87,;1.72,2.19,;0,1.79,;3.06,2.96,;4.39,2.19,;4.39,.65,;5.72,2.96,;5.72,1.42,;-3.06,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3(C2)CC(C3)NS(C)(=O)=O)n1 |(1.3,5.84,;-.18,6.23,;-1.09,4.99,;-2.55,5.46,;-2.55,7,;-1.09,7.48,;-3.89,4.69,;-5.22,5.46,;-6.55,4.69,;-6.55,3.15,;-5.22,2.38,;-3.89,3.15,;-5.22,.84,;-6.55,.07,;-6.55,-1.47,;-5.22,-2.24,;-5.22,-3.78,;-6.47,-4.68,;-5.99,-6.15,;-4.45,-6.15,;-3.68,-7.48,;-3.97,-4.68,;-3.89,-1.47,;-2.55,-2.24,;-1.22,-1.47,;.27,-1.86,;.67,-.38,;-.82,.02,;2.15,-.78,;2.55,.71,;1.07,1.11,;3.89,1.48,;5.22,.71,;5.22,-.83,;6.55,1.48,;6.55,-.06,;-3.89,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@@H](O)C2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@H](O)C2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CC[C@@H](O)C2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CC[C@H](O)C2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCOC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(O)C2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC3CN(CC23)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3(C2)CCN(C3)S(C)(=O)=O)n1 |(1.67,5.84,;.18,6.23,;-.72,4.99,;-2.19,5.46,;-2.19,7,;-.72,7.48,;-3.52,4.69,;-4.86,5.46,;-6.19,4.69,;-6.19,3.15,;-4.86,2.38,;-3.52,3.15,;-4.86,.84,;-6.19,.07,;-6.19,-1.47,;-4.86,-2.24,;-4.86,-3.78,;-6.1,-4.68,;-5.63,-6.15,;-4.09,-6.15,;-3.32,-7.48,;-3.61,-4.68,;-3.52,-1.47,;-2.19,-2.24,;-.86,-1.47,;.63,-1.86,;1.03,-.38,;-.46,.02,;1.51,1.09,;3.05,1.09,;3.52,-.38,;2.28,-1.28,;4.86,-1.15,;5.63,-2.48,;6.19,-.38,;4.86,.39,;-3.52,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCN(C2)S(C)(=O)=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCN(C2)S(C)(=O)=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CN(CCO2)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2[C@@H]3CN(C[C@H]23)S(C)(=O)=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CCN(C2)S(C)(=O)=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC2CCN(C2)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CC[C@@H](C2)NS(C)(=O)=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCCNS(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCCCN(C2)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCNS(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(CO)(CO)C2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC(O)C2)n1 |(2.91,5.84,;1.43,6.23,;.52,4.99,;-.94,5.46,;-.94,7,;.52,7.48,;-2.28,4.69,;-3.61,5.46,;-4.94,4.69,;-4.94,3.15,;-3.61,2.38,;-2.28,3.15,;-3.61,.84,;-4.94,.07,;-4.94,-1.47,;-3.61,-2.24,;-3.61,-3.78,;-4.86,-4.68,;-4.38,-6.15,;-2.84,-6.15,;-2.07,-7.48,;-2.36,-4.68,;-2.28,-1.47,;-.94,-2.24,;.39,-1.47,;1.72,-2.24,;2.12,-3.72,;3.61,-3.33,;4.94,-4.1,;3.21,-1.84,;-2.28,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:27.33,wD:24.26,(1.86,5.84,;.37,6.23,;-.54,4.99,;-2,5.46,;-2,7,;-.54,7.48,;-3.33,4.69,;-4.67,5.46,;-6,4.69,;-6,3.15,;-4.67,2.38,;-3.33,3.15,;-4.67,.84,;-6,.07,;-6,-1.47,;-4.67,-2.24,;-4.67,-3.78,;-5.91,-4.68,;-5.44,-6.15,;-3.9,-6.15,;-3.13,-7.48,;-3.42,-4.68,;-3.33,-1.47,;-2,-2.24,;-.67,-1.47,;.67,-2.24,;2,-1.47,;2,.07,;.67,.84,;-.67,.07,;3.33,.84,;4.67,.07,;6,.84,;3.9,-1.26,;5.44,-1.26,;-3.33,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](C2)NS(C)(=O)=O)n1 |r,wU:24.26,26.31,(2.25,5.84,;.76,6.23,;-.15,4.99,;-1.61,5.46,;-1.61,7,;-.15,7.48,;-2.94,4.69,;-4.28,5.46,;-5.61,4.69,;-5.61,3.15,;-4.28,2.38,;-2.94,3.15,;-4.28,.84,;-5.61,.07,;-5.61,-1.47,;-4.28,-2.24,;-4.28,-3.78,;-5.52,-4.68,;-5.05,-6.15,;-3.51,-6.15,;-2.74,-7.48,;-3.03,-4.68,;-2.94,-1.47,;-1.61,-2.24,;-.28,-1.47,;.12,.02,;1.61,-.38,;1.21,-1.86,;2.94,.39,;4.28,-.38,;5.61,.39,;3.51,-1.71,;5.05,-1.71,;-2.94,.07,)|
Cc1nnc(s1)-c1cnc(nc1NCCNS(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](N)C2)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CCC(N)(CC2)CC3)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CCC(CC2)(CC3)NS(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(CN)C2)n1 |(2.91,5.84,;1.43,6.23,;.52,4.99,;-.94,5.46,;-.94,7,;.52,7.48,;-2.28,4.69,;-3.61,5.46,;-4.94,4.69,;-4.94,3.15,;-3.61,2.38,;-2.28,3.15,;-3.61,.84,;-4.94,.07,;-4.94,-1.47,;-3.61,-2.24,;-3.61,-3.78,;-4.86,-4.68,;-4.38,-6.15,;-2.84,-6.15,;-2.07,-7.48,;-2.36,-4.68,;-2.28,-1.47,;-.94,-2.24,;.39,-1.47,;1.88,-1.86,;2.28,-.38,;3.61,.39,;4.94,-.38,;.79,.02,;-2.28,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3CC2N(C3)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](C2)NS(C)(=O)=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CC2CNCC2C1
Cc1nnc(s1)-c1cnc(nc1NCC1CN(C1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3CCC2N3)n1 |TLB:23:24:28.27:30|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(CN)CC2)n1 |(2.52,5.84,;1.04,6.23,;.13,4.99,;-1.33,5.46,;-1.33,7,;.13,7.48,;-2.67,4.69,;-4,5.46,;-5.33,4.69,;-5.33,3.15,;-4,2.38,;-2.67,3.15,;-4,.84,;-5.33,.07,;-5.33,-1.47,;-4,-2.24,;-4,-3.78,;-5.25,-4.68,;-4.77,-6.15,;-3.23,-6.15,;-2.46,-7.48,;-2.76,-4.68,;-2.67,-1.47,;-1.33,-2.24,;,-1.47,;1.33,-2.24,;2.67,-1.47,;2.67,.07,;4,.84,;5.33,.07,;1.33,.84,;,.07,;-2.67,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2C[C@H](CNS(C)(=O)=O)C2)n1 |r,wD:24.26,26.29,(1.58,5.84,;.09,6.23,;-.81,4.99,;-2.28,5.46,;-2.28,7,;-.81,7.48,;-3.61,4.69,;-4.94,5.46,;-6.28,4.69,;-6.28,3.15,;-4.94,2.38,;-3.61,3.15,;-4.94,.84,;-6.28,.07,;-6.28,-1.47,;-4.94,-2.24,;-4.94,-3.78,;-6.19,-4.68,;-5.71,-6.15,;-4.17,-6.15,;-3.4,-7.48,;-3.7,-4.68,;-3.61,-1.47,;-2.28,-2.24,;-.94,-1.47,;-.54,.02,;.94,-.38,;2.28,.39,;3.61,-.38,;4.94,.39,;6.28,-.38,;4.17,1.73,;5.71,1.73,;.54,-1.86,;-3.61,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](CNS(C)(=O)=O)C2)n1 |r,wU:24.26,wD:26.29,(1.58,5.84,;.09,6.23,;-.81,4.99,;-2.28,5.46,;-2.28,7,;-.81,7.48,;-3.61,4.69,;-4.94,5.46,;-6.28,4.69,;-6.28,3.15,;-4.94,2.38,;-3.61,3.15,;-4.94,.84,;-6.28,.07,;-6.28,-1.47,;-4.94,-2.24,;-4.94,-3.78,;-6.19,-4.68,;-5.71,-6.15,;-4.17,-6.15,;-3.4,-7.48,;-3.7,-4.68,;-3.61,-1.47,;-2.28,-2.24,;-.94,-1.47,;-.54,.02,;.94,-.38,;2.28,.39,;3.61,-.38,;4.94,.39,;6.28,-.38,;4.17,1.73,;5.71,1.73,;.54,-1.86,;-3.61,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2C[C@H](N)C2)n1 |r,wU:24.26,wD:26.29,(3.58,5.84,;2.09,6.23,;1.19,4.99,;-.28,5.46,;-.28,7,;1.19,7.48,;-1.61,4.69,;-2.94,5.46,;-4.28,4.69,;-4.28,3.15,;-2.94,2.38,;-1.61,3.15,;-2.94,.84,;-4.28,.07,;-4.28,-1.47,;-2.94,-2.24,;-2.94,-3.78,;-4.19,-4.68,;-3.71,-6.15,;-2.17,-6.15,;-1.4,-7.48,;-1.7,-4.68,;-1.61,-1.47,;-.28,-2.24,;1.06,-1.47,;1.46,.02,;2.94,-.38,;4.28,.39,;2.55,-1.86,;-1.61,.07,)|
CC(=O)NCC1CCC(CC1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |(6.67,.07,;5.33,.84,;5.33,2.38,;4,.07,;2.67,.84,;1.33,.07,;1.33,-1.47,;,-2.24,;-1.33,-1.47,;-1.33,.07,;,.84,;-2.67,-2.24,;-4,-1.47,;-4,.07,;-5.33,.84,;-6.67,.07,;-6.67,-1.47,;-5.33,-2.24,;-5.33,-3.78,;-6.58,-4.68,;-6.1,-6.15,;-4.56,-6.15,;-3.79,-7.48,;-4.09,-4.68,;-5.33,2.38,;-6.67,3.15,;-6.67,4.69,;-5.33,5.46,;-4,4.69,;-4,3.15,;-2.67,5.46,;-2.67,7,;-1.2,7.48,;-.3,6.23,;1.19,5.84,;-1.2,4.99,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3CCC2N3S(C)(=O)=O)n1 |TLB:31:30:28.27:24.25,23:24:28.27:30|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCC2N)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(CNS(C)(=O)=O)CC2)n1 |(1.21,5.83,;-.28,6.23,;-1.19,4.98,;-2.65,5.46,;-2.65,7,;-1.18,7.48,;-3.99,4.7,;-5.32,5.47,;-6.65,4.7,;-6.66,3.16,;-5.33,2.39,;-3.99,3.16,;-5.33,.85,;-6.66,.08,;-6.67,-1.46,;-5.34,-2.23,;-5.34,-3.77,;-6.59,-4.67,;-6.12,-6.14,;-4.58,-6.14,;-3.81,-7.48,;-4.1,-4.68,;-4,-1.46,;-2.67,-2.24,;-1.33,-1.47,;-0,-2.25,;1.33,-1.47,;1.33,.07,;2.67,.84,;4,.07,;5.34,.84,;6.67,.06,;4.57,2.17,;6.11,2.17,;-0,.85,;-1.33,.07,;-4,.08,)|
CC(=O)N[C@H]1C[C@@H](C1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:6.8,wD:4.3,(5.61,.38,;4.28,-.39,;4.27,-1.93,;2.95,.38,;1.61,-.38,;.12,.02,;-.28,-1.47,;1.21,-1.87,;-1.61,-2.24,;-2.95,-1.46,;-2.94,.08,;-4.27,.85,;-5.61,.08,;-5.61,-1.46,;-4.28,-2.23,;-4.28,-3.77,;-5.53,-4.67,;-5.06,-6.14,;-3.52,-6.14,;-2.75,-7.48,;-3.04,-4.68,;-4.27,2.39,;-5.6,3.16,;-5.6,4.7,;-4.26,5.47,;-2.93,4.7,;-2.93,3.16,;-1.6,5.46,;-1.59,7,;-.13,7.48,;.78,6.23,;2.26,5.83,;-.13,4.98,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCC2NS(C)(=O)=O)n1
CC(=O)NC1CCC(CC1)Nc1nc(ncc1-c1nnc(C)s1)-c1cccc(c1)-c1cnn(C)c1 |(6.11,.16,;4.78,-.61,;4.77,-2.15,;3.45,.17,;2.11,-.6,;2.11,-2.14,;.77,-2.92,;-.56,-2.14,;-.56,-.6,;.77,.18,;-1.89,-2.91,;-3.22,-2.13,;-3.22,-.59,;-4.55,.18,;-5.89,-.59,;-5.89,-2.13,;-4.56,-2.9,;-4.56,-4.44,;-3.32,-5.35,;-3.8,-6.81,;-5.34,-6.81,;-6.11,-8.14,;-5.81,-5.34,;-4.55,1.72,;-5.88,2.49,;-5.88,4.03,;-4.54,4.8,;-3.21,4.03,;-3.21,2.49,;-1.88,4.79,;-.41,4.31,;.5,5.56,;-.41,6.81,;.36,8.14,;-1.87,6.33,)|
CC(=O)N[C@@H]1CCC[C@@H]1CNc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@H](O)[C@@H]2O)n1 |r|
Cc1nnc(s1)-c1cnc(nc1NC1CCC(CC1)NS(=O)(=O)C1CC1)-c1cccc(c1)-c1cnn(C)c1 |(-6.88,-8.14,;-6.11,-6.81,;-4.57,-6.81,;-4.09,-5.35,;-5.33,-4.44,;-6.58,-5.34,;-5.33,-2.9,;-6.66,-2.13,;-6.66,-.59,;-5.32,.18,;-3.99,-.59,;-3.99,-2.13,;-2.66,-2.91,;-1.33,-2.14,;0,-2.92,;1.34,-2.14,;1.34,-.6,;0,.18,;-1.33,-.6,;2.68,.17,;4.01,-.6,;4.01,-2.14,;5.34,.17,;5.34,-1.37,;6.11,-2.71,;6.88,-1.37,;-5.32,1.72,;-6.65,2.49,;-6.65,4.03,;-5.31,4.8,;-3.98,4.03,;-3.98,2.49,;-2.64,4.79,;-1.18,4.31,;-.27,5.56,;-1.18,6.81,;-.41,8.14,;-2.64,6.33,)|
CC(C)Nc1nc(ncc1-c1nnc(s1)C1CCNCC1)-c1cccc(c1)-c1cnn(C)c1
CC(=O)NC[C@H]1C[C@H](C1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:7.9,5.4,(6.28,-.4,;4.95,.38,;4.95,1.92,;3.61,-.39,;2.28,.38,;.94,-.39,;.54,-1.87,;-.94,-1.47,;-.54,.02,;-2.28,-2.24,;-3.61,-1.46,;-3.61,.08,;-4.94,.85,;-6.28,.08,;-6.28,-1.46,;-4.95,-2.23,;-4.95,-3.77,;-6.2,-4.67,;-5.73,-6.14,;-4.19,-6.14,;-3.42,-7.48,;-3.71,-4.68,;-4.94,2.39,;-6.27,3.16,;-6.26,4.7,;-4.93,5.47,;-3.6,4.7,;-3.6,3.16,;-2.26,5.46,;-2.26,7,;-.79,7.48,;.11,6.23,;1.6,5.83,;-.8,4.98,)|
CC(=O)NC[C@H]1C[C@@H](C1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r,wU:7.9,wD:5.4,(6.28,-.4,;4.95,.38,;4.95,1.92,;3.61,-.39,;2.28,.38,;.94,-.39,;-.54,.02,;-.94,-1.47,;.54,-1.87,;-2.28,-2.24,;-3.61,-1.46,;-3.61,.08,;-4.94,.85,;-6.28,.08,;-6.28,-1.46,;-4.95,-2.23,;-4.95,-3.77,;-6.2,-4.67,;-5.73,-6.14,;-4.19,-6.14,;-3.42,-7.48,;-3.71,-4.68,;-4.94,2.39,;-6.27,3.16,;-6.26,4.7,;-4.93,5.47,;-3.6,4.7,;-3.6,3.16,;-2.26,5.46,;-2.26,7,;-.79,7.48,;.11,6.23,;1.6,5.83,;-.8,4.98,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCS(C)(=O)=O)n1
Cc1nnc(s1)-c1cnc(nc1NC1CCC(F)(F)CC1)-c1cccc(c1)-c1cnn(C)c1
Cc1ccc(cn1)-c1cnc(nc1NC1CCN(CC1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1
Cc1nnc(s1)-c1cnc(nc1NCC(O)C(F)(F)F)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCCOC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(O)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(O)CC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCCC(CO)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CC[C@H](O)CC2)n1 |r,wU:24.26,27.30,(3.19,5.84,;1.7,6.23,;.8,4.99,;-.67,5.46,;-.67,7,;.8,7.48,;-2,4.69,;-3.33,5.46,;-4.67,4.69,;-4.67,3.15,;-3.33,2.38,;-2,3.15,;-3.33,.84,;-4.67,.07,;-4.67,-1.47,;-3.33,-2.24,;-3.33,-3.78,;-4.58,-4.68,;-4.1,-6.15,;-2.56,-6.15,;-1.79,-7.48,;-2.09,-4.68,;-2,-1.47,;-.67,-2.24,;.67,-1.47,;2,-2.24,;3.33,-1.47,;3.33,.07,;4.67,.84,;2,.84,;.67,.07,;-2,.07,)|
CN(CCC#N)c1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC(C)(C)C)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@@H]2CCCC[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CCCC[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CC(O)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC2(O)CCCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(CCO)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCNCC2F)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC[C@H]1CO |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(F)CCNCC2)n1
COC(=O)[C@@H]1CCC[C@@H](C1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)N2CCOCC2)n1 |r,wU:27.33,wD:24.26,(1.86,5.84,;.37,6.23,;-.54,4.99,;-2,5.46,;-2,7,;-.54,7.48,;-3.33,4.69,;-4.67,5.46,;-6,4.69,;-6,3.15,;-4.67,2.38,;-3.33,3.15,;-4.67,.84,;-6,.07,;-6,-1.47,;-4.67,-2.24,;-4.67,-3.78,;-5.91,-4.68,;-5.44,-6.15,;-3.9,-6.15,;-3.13,-7.48,;-3.42,-4.68,;-3.33,-1.47,;-2,-2.24,;-.67,-1.47,;.67,-2.24,;2,-1.47,;2,.07,;.67,.84,;-.67,.07,;3.33,.84,;4.67,.07,;6,.84,;6,2.38,;4.67,3.15,;3.33,2.38,;-3.33,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCN(CC2F)S(C)(=O)=O)n1
CC(=O)N1CCC(CNc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)C(F)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(F)CCN(CC2)S(C)(=O)=O)n1
CC(=O)N1CCC(F)(CNc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)CC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCCC2O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(N)CC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(O)CCNCC2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CC[C@@H](N)C1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(CN)(C2)C3)n1
Cc1nnc(s1)-c1cnc(nc1NC1CCS(=O)(=O)CC1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCCCC2O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(CNS(C)(=O)=O)(C2)C3)n1
CC(=O)N[C@@H]1CCN(C1)c1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CC[C@H](C1)NS(C)(=O)=O |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCCC[C@H](O)[C@@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(O)CCN(CC2)S(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(CC1)NS(C)(=O)=O
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC2CCCCN2)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(N)CCCCC2)n1
Cc1nnc(s1)-c1cnc(nc1NC1CCCN(CC1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1
Cc1nnc(s1)-c1cnc(nc1N[C@H]1CC[C@@H](CC1)NS(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,wD:16.21,(-6.37,-8.15,;-5.6,-6.81,;-4.06,-6.81,;-3.58,-5.35,;-4.83,-4.44,;-6.07,-5.35,;-4.83,-2.9,;-6.16,-2.13,;-6.16,-.59,;-4.83,.18,;-3.49,-.59,;-3.49,-2.13,;-2.16,-2.9,;-.67,-2.5,;-.27,-1.02,;1.21,-.62,;2.3,-1.71,;1.9,-3.19,;.42,-3.59,;3.79,-1.31,;4.88,-2.4,;5.97,-3.49,;6.37,-2,;4.48,-3.89,;-4.83,1.72,;-6.16,2.49,;-6.16,4.03,;-4.83,4.8,;-3.49,4.03,;-3.49,2.49,;-2.16,4.8,;-.69,4.32,;.21,5.57,;-.69,6.81,;.08,8.15,;-2.16,6.34,)|
CC(=O)N1CCC(CC1)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
CC(=O)NC1(CNc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)CCCCC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCS(=O)(=O)CC2)n1
CC(=O)N1CCCCC1CCNc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCC2CCCCN2S(C)(=O)=O)n1
CC(C)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(CO)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(CCCCC2)NS(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](CC2)N2CCOCC2)n1 |r,wU:24.26,27.33,(1.86,5.84,;.37,6.23,;-.54,4.99,;-2,5.46,;-2,7,;-.54,7.48,;-3.33,4.69,;-4.67,5.46,;-6,4.69,;-6,3.15,;-4.67,2.38,;-3.33,3.15,;-4.67,.84,;-6,.07,;-6,-1.47,;-4.67,-2.24,;-4.67,-3.78,;-5.91,-4.68,;-5.44,-6.15,;-3.9,-6.15,;-3.13,-7.48,;-3.42,-4.68,;-3.33,-1.47,;-2,-2.24,;-.67,-1.47,;-.67,.07,;.67,.84,;2,.07,;2,-1.47,;.67,-2.24,;3.33,.84,;4.67,.07,;6,.84,;6,2.38,;4.67,3.15,;3.33,2.38,;-3.33,.07,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(CN)C1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(CNS(C)(=O)=O)C1
CC(=O)NC12CC(C1)(C2)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCNS(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@@H](O)[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(N)(C2)C3)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(C2)(C3)NS(C)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(F)(F)F)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(F)(F)C(F)(F)C(F)(F)F)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](O)[C@@H]2O)n1 |r|
CC(Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1)C1CCN(CC1)S(C)(=O)=O
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(O)C(F)(F)F)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)NS(=O)(=O)C2CC2)n1 |r,wU:27.33,wD:24.26,(1.09,5.84,;-.4,6.23,;-1.3,4.99,;-2.77,5.46,;-2.77,7,;-1.3,7.48,;-4.1,4.69,;-5.44,5.46,;-6.77,4.69,;-6.77,3.15,;-5.44,2.38,;-4.1,3.15,;-5.44,.84,;-6.77,.07,;-6.77,-1.47,;-5.44,-2.24,;-5.44,-3.78,;-6.68,-4.68,;-6.21,-6.15,;-4.67,-6.15,;-3.9,-7.48,;-4.19,-4.68,;-4.1,-1.47,;-2.77,-2.24,;-1.44,-1.47,;-.11,-2.24,;1.23,-1.47,;1.23,.07,;-.11,.84,;-1.44,.07,;2.56,.84,;3.9,.07,;3.13,-1.26,;4.67,-1.26,;5.23,.84,;6.77,.84,;6,2.18,;-4.1,.07,)|
CC(=O)N1CCC(O)(CNc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)CC1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCS(N)(=O)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](CC2)C(O)=O)n1 |r,wD:24.26,27.33,(.82,8.15,;.05,6.81,;-1.42,6.34,;-1.42,4.8,;.05,4.32,;.95,5.57,;-2.75,4.03,;-4.08,4.8,;-5.42,4.03,;-5.42,2.49,;-4.08,1.72,;-2.75,2.49,;-4.08,.18,;-5.42,-.59,;-5.42,-2.13,;-4.08,-2.9,;-4.08,-4.44,;-2.84,-5.35,;-3.31,-6.81,;-4.85,-6.81,;-5.62,-8.15,;-5.33,-5.35,;-2.75,-2.13,;-1.42,-2.9,;.07,-2.5,;1.16,-3.59,;2.65,-3.19,;3.05,-1.71,;1.96,-.62,;.47,-1.02,;4.53,-1.31,;5.62,-2.4,;4.93,.18,;-2.75,-.59,)|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CC[C@H](F)[C@@H](O)C1 |r|
CN[C@H]1CCC[C@H](Nc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)[C@@H]1O |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCS(C)(=N)=O)n1
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1C[C@H](N)CC(F)(F)C1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1C[C@@H](N)CC(F)(F)C1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@H](F)[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCC[C@@H](F)[C@@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCCC(F)(F)[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCCC[C@@H](O)[C@H]2O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCCC[C@H](O)[C@@H]2O)n1 |r|
Cn1cc2NC(=O)c3cccc(c3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
CN1CCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CCOC1=O)c2
O=C1NCCCCCn2cc(cn2)-c2cccc(c2)C(=O)Nc2cn(nc12)C1CCOCC1
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCN4CCOC(C4)CNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCOC(=O)N4CCOC(C4)CNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCN4CCC(C4)CNC(=O)c2n1)c3
CN1CCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CC1)c2
CN1CCCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CC1)c2
O=C1NCCCCCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
O=C1NCCSCCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
O=C1NCCS(=O)CCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
O=C1NCCS(=O)(=O)CCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
O=C1NCCCCCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCNCC1
CS(=O)(=O)N1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
FC1(F)CC1C(=O)N1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
O=C(NC1CC1)N1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
O=C1NCCOCCn2cc(cn2)-c2cccc(c2)C(=O)Nc2cn(nc12)C1CCOCC1
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCOC(=O)N4CCC(NC(=O)c2n1)C(O)C4)c3
OCCN1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
CN(C)CCN1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
O=C1NCCCCCCn2cc(cn2)-c2cccc(c2)C(=O)Nc2cn(nc12)C1CCOCC1
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(C\C=C\CCCNC(=O)c2n1)c3 |t:19|
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC\C=C/CCNC(=O)c2n1)c3 |c:20|
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC\C=C\CCNC(=O)c2n1)c3 |t:20|
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC\C=C\CNC(=O)c2n1)c3 |t:21|
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC\C=C/CNC(=O)c2n1)c3 |c:21|
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCC(O)C(O)CNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC(O)C(O)CCCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC(O)C(O)CCNC(=O)c2n1)c3
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(C\C=C/CCCNC(=O)c2n1)c3 |c:19|
Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC#CCCCNC(=O)c2n1)c3
OC1CNC(=O)c2nn(cc2NC(=O)c2cccc(Cn3nc(OC1)ccc3=O)n2)C1CCOCC1