538 SMILES Strings for Serine/threonine-protein kinase PAK 4
Compound Name
SMILES String
Brc1ccc2nc(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)c2c1
Brc1ccc2nc(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1
C(C1CCCCC1)c1cn(nn1)-c1ccc2[nH]ncc2c1
C(Cc1c[nH]c2ccccc12)Nc1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
C(Cc1c[nH]c2ccccc12)Nc1nc(Nc2ccc3[nH]ncc3c2)nc2ccccc12
C(Cc1ccccc1)Nc1nc(cs1)-c1ccc2[nH]ncc2c1
C(Cc1ccccc1)c1cn(nn1)-c1ccc2[nH]ncc2c1
C(Cc1cn(nn1)-c1ccc2[nH]ncc2c1)Cc1ccccc1
C(N1CCCCC1)c1cc(on1)-c1ccc2[nH]ncc2c1
C(Nc1nc(c(s1)-c1ccccc1)-c1ccc2[nH]ncc2c1)c1ccccc1
C(Nc1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)C1CCNCC1
C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2c1
C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2n1
C(Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]cnc2c1
C(c1cc(on1)-c1ccc2[nH]ncc2c1)c1ccccc1
C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]ncc2c1
C(c1cn(nn1)-c1ccc2[nH]ncc2c1)c1ccccc1
C1CC(CCN1)Nc1nc(Nc2ccccc2)nc2[nH]ccc12
C1CC1c1cn(nn1)-c1ccc2[nH]ncc2c1
C1CCC(C1)c1cn(nn1)-c1ccc2[nH]ncc2c1
CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CC(=O)Nc1c(sc2n[nH]c(C)c12)C(N)=O
CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(C)[C@@H](CO)NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1 |r|
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1
CC(C)(O)C#Cc1ccc2cnn(-c3cc(N)ncn3)c2c1
CC(C)(O)C#Cc1ccc2cnn(-c3ccnc(N)n3)c2c1
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
CC(C)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CC(C)[C@@H](CO)NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)c1cc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)n[nH]1
CC(C)c1ncc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@H](CO)c2ccccc2)[nH]1 |r|
CC(C)c1nn(C)cc1-c1nc2cc(Br)cnc2[nH]1
CC(C)n1cnc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)c1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
CC1(C)N(Cc2c(Nc3cc(Cl)nc(Cl)n3)[nH]nc12)C(=O)NC1C[C@@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3cc(ccn3)C(F)(F)F)n[nH]c12)C(=O)NC1C[C@@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3cc(ccn3)[N+]#[C-])[nH]nc12)C(=O)NC1C[C@@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3cccc(n3)C(F)(F)F)[nH]nc12)C(=O)NC1C[C@@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3ccnc(n3)C#N)[nH]nc12)C(=O)N[C@@H]1C[C@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3ccnc(n3)C(F)(F)F)[nH]nc12)C(=O)NC1C[C@@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3nc(Cl)nc(Cl)n3)[nH]nc12)C(=O)NC1CC1c1ccccc1
CC1(C)N(Cc2c(Nc3nc(Cl)nc(n3)N3CCC[C@H]3C(N)=O)[nH]nc12)C(=O)NC1C[C@@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3nc(Cl)nc4ccccc34)[nH]nc12)C(=O)NC1CC1c1ccccc1
CC1(C)N(Cc2c(Nc3nc(Cl)nc4ccsc34)[nH]nc12)C(=O)NC1CC1c1ccccc1
CC1(C)N(Cc2c(Nc3nc(N)nc(Cl)n3)[nH]nc12)C(=O)NC1CC1c1ccccc1
CC1(C)N(Cc2c(Nc3nc(nc4ccccc34)C#N)[nH]nc12)C(=O)N[C@@H]1C[C@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3nc(nc4ccccc34)C3CC3)[nH]nc12)C(=O)NC1C[C@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3nc(nc4ccsc34)C(F)(F)F)[nH]nc12)C(=O)N[C@@H]1C[C@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3nccc(n3)C(F)(F)F)[nH]nc12)C(=O)NC1C[C@@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3ncnc4ccccc34)[nH]nc12)C(=O)NC1C[C@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3ncnc4ccoc34)n[nH]c12)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3ncnc4ccsc34)[nH]nc12)C(=O)N[C@@H]1C[C@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3ncnc4ccsc34)[nH]nc12)C(=O)N[C@H]1CC1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3ncnc4sccc34)[nH]nc12)C(=O)N[C@@H]1C[C@H]1c1ccccc1 |r|
CC1(C)N(Cc2c(Nc3ncncc3F)[nH]nc12)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
CC1CCCN(C1)c1nc(SCc2ccccc2)nc2nc(N)sc12
CC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1
CC1CN(CC(C)N1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
CC1CN(CC(C)N1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
CCCCN(C)C(=O)c1cc2c(C)n[nH]c2s1
CCCCN(C)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1
CCCCNC(=O)c1cc2c(C)n[nH]c2s1
CCCCNc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
CCCOc1nc(Cl)nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)n1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CCCc1cc(on1)-c1ccc2[nH]ncc2c1
CCCc1cn(nn1)-c1ccc2[nH]ncc2c1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
CCN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:4.3,22.23,wD:7.7,(-3.74,3.69,;-2.68,3.08,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)|
CCN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCN1CC[C@@H](C1=O)c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1 |r,wU:21.22,5.8,wD:24.26,(4.87,-11.79,;3.88,-11.04,;4.08,-9.51,;5.43,-8.77,;5.14,-7.26,;3.62,-7.09,;2.96,-8.46,;1.74,-8.68,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,1.54,;-2.67,2.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;2.72,-3.21,;3.76,-4.35,)|
CCN1c2ccc(F)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12 |t:11|
CCN1c2ccc(F)cc2N=C(N[C@H]2CCN(C2)C(=O)NC(C)(C)C)c2cc(Cl)ccc12 |r,t:11|
CCN1c2ccc(F)cc2N=C(N[C@H]2CCN(C2)C(=O)OC(C)(C)C)c2cc(Cl)ccc12 |r,t:11|
CCNC(=O)c1n[nH]c2cc(ccc12)-c1ccc(cc1Cl)-n1cccc(C)c1=O
CCNc1nc(cs1)-c1ccc2[nH]ncc2c1
CCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)O
CCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1cc(C)on1 |r|
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCOc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 |r|
CCOc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)n1 |r|
CCOc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)n1 |r|
CC[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CCc1cc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)ncn1 |r|
CCc1ncc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@H](CO)c2ccccc2)[nH]1 |r|
CCn1c(c(C#N)c2c(N)nc(C)nc12)-c1cccc(F)c1F |(54.34,-17.21,;52.83,-16.89,;51.8,-18.03,;50.27,-17.87,;49.64,-19.29,;48.13,-19.61,;46.62,-19.93,;50.78,-20.31,;50.78,-21.86,;49.44,-22.64,;52.12,-22.64,;53.46,-21.86,;54.8,-22.63,;53.46,-20.31,;52.12,-19.55,;49.5,-16.54,;47.97,-16.55,;47.19,-15.22,;47.96,-13.88,;49.5,-13.88,;50.27,-12.55,;50.27,-15.21,;51.81,-15.21,)|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O
CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O
CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncs2)c1=O
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
CN(C)CCNc1nc(SCc2ccccc2)nc2nc(N)sc12
CN(C)CCn1cnc(c1-c1ccc2[nH]ncc2c1)-c1ccc(F)cc1
CN(C)C[C@@H](N(C)C(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3F)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccnc(C)n3)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccnc(n3)C#N)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccnc(n3)C(F)(F)F)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(Cl)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(nc4ccccc34)C#N)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc(C)c3F)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc4ccoc34)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc4ccsc34)n[nH]c2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc4n(C)cnc34)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc4sc(C)cc34)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncnc4sccc34)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncncc3F)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccc(NCc5ccc(cc5)-c5ccccn5)cc4[nH]3)c2c1)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C(F)(F)F)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C3(CC3)C(F)(F)F)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C3CCCCO3)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C3CCCO3)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3F)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccn3)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ccnc(n3)C#N)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ccnc(n3)C(F)(F)F)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3nc(C)nc4sccc34)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3nc(nc4ccccc34)C#N)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ncnc(C)c3F)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ncnc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ncnc4n(C)cnc34)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ncnc4sc(C)cc34)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ncnc4sccc34)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ncncc3F)[nH]nc2C1(C)C)c1ccccc1 |r|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
CN(C)c1cc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)nc(C)n1 |r|
CN(C)c1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1nc(Cl)nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)n1
CN(C)c1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)nc(n1)N1CCC[C@H]1C(N)=O |r|
CN(C)c1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)nc(n1)N1CCC[C@H]1CO |r|
CN(C)c1nc(SCc2ccccc2)nc2nc(N)sc12
CN(C1CCCNC1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
CN(C1CCNCC1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)C2C(=O)N(C)CC2(C)C)n1 |r,wU:3.2,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.98,-6.36,;5.43,-8.77,;6.54,-9.3,;4.08,-9.51,;2.96,-8.46,;2.17,-7.51,;2.56,-9.62,;-1.33,-.77,)|
CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)C2CCCN(C)C2=O)n1 |r,wU:3.2,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.17,-7.12,;5.9,-8.48,;5.1,-9.79,;3.56,-9.75,;2.91,-10.8,;2.82,-8.4,;1.59,-8.37,;-1.33,-.77,)|
CN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r,wU:3.2,21.22,wD:6.6,(-2.67,2.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;1.34,-3.85,;1.49,-5.37,;2.99,-5.68,;3.76,-4.35,;2.72,-3.21,;3.62,-7.09,;5.14,-7.26,;5.43,-8.77,;4.08,-9.51,;3.92,-10.74,;2.96,-8.46,;1.74,-8.68,;-1.33,-.77,)|
CN(Cc1cc(Nc2ccnc(n2)N(C)Cc2ccc3[nH]cnc3c2Cl)n[nH]1)C(C)=O
CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CC2)n1
CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)C2CCC(=O)C2)n1
CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)[C@@H]2CCN(C)C2=O)n1 |r|
CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc([nH]n2)[C@H]2CCN(C)C2=O)n1 |r|
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
CN1CCN(C(C1)c1ccccc1)C(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C
CN1CCN(CC1)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1
CN1CCN(CC1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CN1CCN(CC1)c1nc(SCc2ccccc2)nc2nc(N)sc12
CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CCN([C@@H](Cc2ccccc2)C1)C(=O)N1Cc2c(NC(=O)c3cccc(Oc4ccccc4)c3)[nH]nc2C1(C)C |r|
CN1CCN([C@@H](Cc2ccccc2)C1)C(=O)N1Cc2c(Nc3nc(Cl)nc4ccsc34)[nH]nc2C1(C)C |r|
CN1CC[C@@H](C1=O)c1cc(Nc2ccnc(NC[C@H]3CC[C@H](N)CC3)n2)n[nH]1 |r,wU:18.18,4.7,wD:21.22,(3.92,-10.74,;4.08,-9.51,;5.43,-8.77,;5.14,-7.26,;3.62,-7.09,;2.96,-8.46,;1.74,-8.68,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,-.77,;2.72,-3.21,;3.76,-4.35,)|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CNC(=O)[C@@H]1CCCN1c1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(OC)n1 |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
CNC(=O)c1cc(on1)-c1ccc2[nH]ncc2c1
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
CNC(=O)c1n[nH]c2cc(ccc12)-c1ccc(cc1Cl)-n1cccc(C)c1=O
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
CNC1CCN(CC1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CNc1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1
CNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1cc(C)on1 |r|
COC(=O)C(=O)Nc1c(sc2n[nH]c(C)c12)C(N)=O
COC(=O)c1cc2c(C)n[nH]c2s1
COC(=O)c1cc2c(CN3CCCCC3)n[nH]c2s1
COC(=O)c1cc2c(Nc3ccccc3)[nH]nc2s1
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
COCC(C)c1cc(Nc2ccnc(n2)N(C)Cc2ccc3[nH]cnc3c2Cl)n[nH]1
COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC(C)(C)O
COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1
COCCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCCC1
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
COCc1cn(nn1)-c1ccc2[nH]ncc2c1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
COc1ccc(CNC(=O)c2cc3c(n[nH]c3s2)-c2ccccc2)cc1
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1ccc(cc1)C(=C1\C(=O)Nc2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1)\c1ncc[nH]1 |r|
COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
COc1ccc2c(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)nc2c1
COc1ccc2c(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)nc2c1
COc1ccc2nc(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)c2c1
COc1ccc2nc(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1
COc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)C(=O)N1CCN[C@H](C)C1 |r|
COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
COc1cccc(c1)C(=C1\C(=O)Nc2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1)\c1ncc[nH]1 |r|
COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1
COc1nc(C)nc2[nH]cc(-c3ccnc(C)c3)c12
COc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12
COc1nc(C)nc2[nH]cc(-c3ccncc3)c12
COc1nc(Cl)nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)n1
COc1nc(NCCc2c[nH]c3ccccc23)nc(Nc2ccc3[nH]ncc3c2)n1
COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(n1)N1CCCC1C#N
COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(n1)N1CCC[C@H]1C(N)=O |r|
COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)nc(OC)n1 |r|
COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)nc(n1)N1CCC[C@H]1CO |r|
COc1nc(Nc2n[nH]c3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(n1)N1CC1C
COc1nc(Nc2n[nH]c3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(n1)N1CCCC1
COc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 |r|
COc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)n1 |r|
COc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)n1 |r|
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
CSc1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)cc(n1)C(F)(F)F
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|
C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccc3[nH]1)c1ccccc21 |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1 |r|
C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Br)ccc2n1 |r|
C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r|
C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(F)ccc2n1 |r|
C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2ccc(Cl)cc2n1 |r|
C[C@@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1 |r|
C[C@@H]1CNCCN1C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1 |r|
C[C@@H]1CNCCN1C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]ccc2c1 |r|
C[C@H](Nc1nccc(Nc2cc([nH]n2)C2CC2)n1)c1ccc2[nH]cnc2c1 |r|
C[C@H]1CN(C)C(=O)[C@@H]1c1cc(Nc2ccnc(n2)N(C)C[C@H]2CC[C@H](N)CC2)n[nH]1 |r,wU:21.22,7.8,wD:24.26,1.0,(1.74,-8.68,;2.96,-8.46,;4.08,-9.51,;5.43,-8.77,;6.54,-9.3,;5.14,-7.26,;5.98,-6.36,;3.62,-7.09,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.67,1.54,;-2.67,2.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;2.72,-3.21,;3.76,-4.35,)|
C[C@H]1CN(CCN1)C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1 |r|
C[C@H]1CN(CCN1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r|
C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(Nc3ncnc(C)c3F)[nH]nc2C1(C)C |r|
C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(Nc3ncnc4c(C)csc34)[nH]nc2C1(C)C |r|
C[C@H]1CNCCN1C(=O)c1nc(Nc2cc(C)[nH]n2)c2cc(Cl)ccc2n1 |r|
C[C@H]1CNCCN1C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r|
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1[nH]nc2sc(C(N)=O)c(NC(=O)COc3ccccc3)c12
Cc1[nH]nc2sc(C(N)=O)c(NC(=O)Nc3ccccc3)c12
Cc1[nH]nc2sc(C(N)=O)c(NC(=O)c3ccc(Cl)cc3)c12
Cc1[nH]nc2sc(C(N)=O)c(NC(=O)c3cccc(Cl)c3)c12
Cc1[nH]nc2sc(C(N)=O)c(NC(=O)c3ccccc3Cl)c12
Cc1[nH]nc2sc(C(N)=O)c(NC(=O)c3cccs3)c12
Cc1c[nH]c(n1)C(=C1/C(=O)Nc2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1)\c1ccccc1 |r|
Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@H](CO)c2ccccc2)[nH]1 |r|
Cc1cc(C)n2B(F)[N+]3=C(CCC(=O)NCCCCC(=O)NCCOc4ccc(Nc5ncnc(n5)-c5cccnc5Nc5cc(NC(=O)c6cccc(c6)C(F)(F)F)ccc5C)cc4)C=CC3=Cc12 |c:8,70,73|
Cc1cc(C)nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)n1 |r|
Cc1cc(Nc2cc(Cc3ccccc3)nc(NC3CCNCC3)n2)n[nH]1
Cc1cc(Nc2nc(Cl)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(NC3CCNC3)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(NC3CCNCC3)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(NCCc3c[nH]c4ccccc34)c3cc(Cl)ccc3n2)cc2cn[nH]c12
Cc1cc(Nc2nc(NCc3ccc(Br)cc3)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(NCc3ccc(Cl)cc3)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(NCc3ccc(F)cc3)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3n(CC(C)(C)O)ncc23)n[nH]1
Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3n(ncc23)C2CCNCC2)n[nH]1
Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3n(ncc23)C2CCOCC2)n[nH]1
Cc1cc(Nc2nc(NCc3cccc(Br)c3)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(NCc3cccc(Cl)c3)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(NCc3cccc(F)c3)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(NCc3ccccc3)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(NCc3ccccc3Br)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(NCc3ccccc3Cl)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(NCc3ccccc3F)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(Nc3ccccc3)nc3[nH]ncc23)n[nH]1
Cc1cc(Nc2nc(nc3[nH]ncc23)N2CCNCC2)n[nH]1
Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCC(C)(N)CC2)n[nH]1
Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCC(C)(O)CC2)n[nH]1
Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCC(N)CC2)n[nH]1
Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCC(O)CC2)n[nH]1
Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCNC(=O)C2)n[nH]1
Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCNCC2)n[nH]1
Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)N2CCOCC2)n[nH]1
Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)NC2CCNCC2)n[nH]1
Cc1cc(Nc2nc(nc3ccc(Cl)cc23)C(=O)NC2CNC2)n[nH]1
Cc1cc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)n[nH]1
Cc1cc(cc(Nc2n[nH]c3c2CN(C(=O)NC2C[C@@H]2c2ccccc2)C3(C)C)n1)C(F)(F)F |r|
Cc1cc(no1)[C@](C)(O)C#Cc1ccc2nc(C)n(-c3ncnc(N)n3)c2c1 |r|
Cc1cc2c(Nc3[nH]nc4c3CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C4(C)C)ncnc2s1 |r|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(Nc3ccc(OCCN)cc3)ncc2c1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1cc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)ncn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ncnc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)n1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1ccc(cc1)C1=Nc2c(N)ncnc2NCC1 |t:8|
Cc1cccc(c1)C1=Nc2c(N)ncnc2NCC1 |t:8|
Cc1ccccc1\C(=C1\C(=O)Nc2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1)c1ncc[nH]1 |r|
Cc1cccn(-c2ccc(c(Cl)c2)-c2ccc3c(n[nH]c3c2)C(=O)NCC2CC2)c1=O
Cc1cccn(-c2ccc(c(Cl)c2)-c2ccc3c(n[nH]c3c2)C(=O)NCc2ccncc2)c1=O
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1csc2c(Nc3[nH]nc4c3CN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)C4(C)C)ncnc12 |r|
Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1n[nH]c2sc(cc12)C(=O)NC1CCCCC1
Cc1n[nH]c2sc(cc12)C(=O)NCc1ccccc1
Cc1n[nH]c2sc(cc12)C(N)=O
Cc1nc(N)c2c(C#N)c(-c3cccc(F)c3F)n(C)c2n1 |(67.73,-22.18,;66.4,-21.41,;65.06,-22.19,;63.72,-21.41,;62.38,-22.19,;63.72,-19.87,;62.58,-18.84,;61.07,-19.16,;59.55,-19.48,;63.2,-17.43,;62.43,-16.1,;60.9,-16.1,;60.13,-14.78,;60.9,-13.43,;62.44,-13.43,;63.2,-12.1,;63.21,-14.76,;64.74,-14.76,;64.74,-17.59,;65.77,-16.44,;65.06,-19.1,;66.4,-19.87,)|
Cc1nc(N)c2c(C#N)c([nH]c2n1)-c1cccc(F)c1F
Cc1nc(N)c2c(C#N)c([nH]c2n1)-c1cccnc1
Cc1nc(Nc2[nH]nc3c2CN(C(=O)NC2C[C@H]2c2ccccc2)C3(C)C)c2ccccc2n1 |r|
Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2ccsc2n1 |r|
Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2sccc2n1 |r|
Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)cc(n1)N1CCOCC1 |r|
Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c2sccc2n1 |r|
Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c2ccsc2n1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nc([nH]c1C)C(=C1/C(=O)Nc2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1)\c1ccccc1 |r|
Cc1nc(cs1)-c1ccc2[nH]ncc2c1
Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)CO
Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)O
Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(O)CC1CC1
Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(O)CO
Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(O)c1ncccn1
Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCCC1
Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCOC1
Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)COC1
Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1nccs1 |r|
Cc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@]1(O)C[C@@H]2CC[C@H]1C2 |r|
Cc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 |r|
Cc1ncc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@H](CO)c2ccccc2)[nH]1 |r|
Cc1nccc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 |r|
Clc1c(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)ccc2[nH]cnc12
Clc1c(CNc2nccc(Nc3cc([nH]n3)C3CCCO3)n2)ccc2[nH]cnc12
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1
Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCC3)n2)c1
Clc1ccc(Nc2c(nc3ncccn23)-c2ccc3[nH]ncc3c2)cc1
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Clc1ccc2c(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)nc2c1
Clc1ccc2c(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)nc2c1
Clc1ccc2nc(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)c2c1
Clc1ccc2nc(Nc3cc(Br)c4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1
Clc1ccc2nc(Nc3cc(Cl)c4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1
Clc1ccc2nc(Nc3ccc4NC(=O)Cc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1
Clc1ccc2nc(Nc3ccc4[nH]cnc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1
Clc1ccc2nc(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1
Clc1ccc2nc(Nc3ccc4[nH]nnc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1
Clc1ccc2nc(Nc3ccc4cn[nH]c4c3)nc(NCCc3c[nH]c4ccccc34)c2c1
Clc1ccc2nc(Nc3cnc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)C(=O)N1CCNCC1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Clc1cccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1Cl
Clc1cccc(Nc2nc(NC3CCNCC3)c3cc[nH]c3n2)c1
Cn1c(Br)c(C#N)c2c(N)ncnc12
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(cn1)-c1cc2NC(=O)\C(=C/c3ccc[nH]3)c2cc1C(=O)N[C@H](CO)c1ccccc1 |r|
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r|
Cn1cnc(Nc2nc(nc3ccc(Cl)cc23)N2CCC(N)CC2)c1
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Cn1cnc2c(Nc3[nH]nc4c3CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C4(C)C)ncnc12 |r|
Cn1cnc2cc(CNc3nccc(Nc4cc([nH]n4)C4CC4)n3)ccc12
Cn1cnc2ccc(CNc3nccc(Nc4cc([nH]n4)C4CC4)n3)cc12
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
Cn1nccc1-c1cc2NC(=O)\C(=C/c3ccc[nH]3)c2cc1C(=O)N[C@H](CO)c1ccccc1 |r|
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Fc1c(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)ccc2[nH]cnc12
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Fc1ccc2[nH]c(cc2c1)C(=O)N1C[C@]2(CCN(C2)C2CCCNC2)c2ccccc12 |r|
Fc1ccc2cc([nH]c2c1)C(=O)N1C[C@]2(CCN(C2)C2CCNC2)c2ccccc12 |r|
Fc1ccc2nc(NCCc3c[nH]c4ccccc34)nc(Nc3ccc4[nH]ncc4c3)c2c1
Fc1ccc2nc(Nc3ccc4[nH]ncc4c3)nc(NCCc3c[nH]c4ccccc34)c2c1
Fc1cccc(Nc2nc(NC3CCNCC3)c3cc[nH]c3n2)c1
Fc1ccccc1Cn1cc(nn1)-c1ccc2[nH]ncc2c1
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
N(c1nc(c(s1)-c1ccccc1)-c1ccc2[nH]ncc2c1)c1ccccc1
N(c1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
NC1CCN(CC1)c1cc(Nc2cc([nH]n2)C2CC2)ccn1
NC1CCN(CC1)c1cccc(Nc2cc([nH]n2)C2CC2)n1
NC1CCN(CC1)c1nc(Nc2cc([nH]n2)-c2ccccc2)c2cc(Cl)ccc2n1
NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2occc2n1
NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1
NC1CCN(CC1)c1nc(Nc2cn(cn2)-c2ccccc2)c2cc(Cl)ccc2n1
NC1CCN(CC1)c1nc(Nc2cn(cn2)C2CC2)c2cc(Cl)ccc2n1
NC1CCN(CC1)c1nccc(Nc2cc([nH]n2)C2CC2)n1
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
N[C@@H]1CCCN(C1)c1nc(Nc2cccc(Cl)c2)nc2[nH]ccc12 |r|
N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
N[C@H]1CCCN(C1)c1nc(Nc2cccc(Cl)c2)nc2[nH]ccc12 |r|
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccc(Cl)c2)nc2[nH]ccc12 |r,wU:4.7,wD:1.0,(6.67,-3.85,;5.34,-3.08,;5.34,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.34,-.77,;1.34,.77,;-0,1.53,;-0,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.34,3.07,;-6.67,3.84,;-4.01,3.85,;1.33,3.85,;2.66,3.08,;4.16,3.54,;5.04,2.32,;4.12,1.08,;2.66,1.54,)|
N[C@H]1CC[C@@H](CC1)Nc1nccc(Nc2cc([nH]n2)C2CC2)n1 |r,wU:1.0,wD:4.7,(-5.08,-5.99,;-4.01,-5.38,;-4.01,-3.84,;-2.67,-3.07,;-1.34,-3.85,;-1.34,-5.39,;-2.68,-6.15,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,)|
N[C@H]1CC[C@@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1 |r,wU:4.4,1.0,(-1.34,-9.7,;-1.34,-8.47,;-2.68,-7.7,;-2.68,-6.16,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,;-.01,-6.16,;-.01,-7.7,)|
N[C@H]1CC[C@H](CC1)Nc1nc(Nc2cccc(Cl)c2)nc2[nH]ccc12 |r,wU:4.7,1.0,(6.67,-3.85,;5.34,-3.08,;4,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;5.34,-1.54,;1.34,-.77,;1.34,.77,;-0,1.53,;-0,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.34,3.07,;-6.67,3.84,;-4.01,3.85,;1.33,3.85,;2.66,3.08,;4.16,3.54,;5.04,2.32,;4.12,1.08,;2.66,1.54,)|
N[C@H]1CC[C@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1 |r,wU:4.4,wD:1.0,(-1.34,-9.7,;-1.34,-8.47,;-.01,-7.7,;-.01,-6.16,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,;-2.68,-6.16,;-2.68,-7.7,)|
Nc1ccc(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)cn1
Nc1ccc(\C=C\C(=O)NCc2cc3cc(cc(-c4ccc(F)cc4)c3o2)-c2ccc(cc2)C(=O)N2CCC(F)(F)CC2)cn1
Nc1n[nH]c2ccc(cc12)-c1cc(Cc2ccccc2)no1
Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
Nc1nc(N)c2N=C(CCNc2n1)c1ccc(Cl)cc1 |c:6|
Nc1nc(N)c2N=C(CCNc2n1)c1cccc(Cl)c1 |c:6|
Nc1nc(N)c2N=C(CCNc2n1)c1ccccc1 |c:6|
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Nc1nc(cs1)-c1ccc2[nH]ncc2c1
Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2nc(SCc3ccccc3)nc(Cl)c2s1
Nc1nc2nc(SCc3ccccc3)nc(N3CCCC3CO)c2s1
Nc1nc2nc(SCc3ccccc3)nc(N3CCN(CC3)c3ccccc3)c2s1
Nc1nc2nc(SCc3ccccc3)nc(NCCN3CCOCC3)c2s1
Nc1nc2nc(SCc3ccccc3)nc(NCCO)c2s1
Nc1ncnc2NCCC(=Nc12)c1ccc(Cl)cc1 |c:9|
Nc1ncnc2NCCC(=Nc12)c1cccc(Cl)c1 |c:9|
Nc1ncnc2NCCC(=Nc12)c1ccccc1 |c:9|
O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
O=C(NC1CCCCC1)c1cc2c(n[nH]c2s1)-c1ccccc1
O=C(NCCc1ccccc1)c1cc2c(n[nH]c2s1)-c1ccccc1
O=C(NCc1ccccc1)c1cc2c(n[nH]c2s1)-c1ccccc1
O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|
O=C1NCCc2[nH]c(cc12)-c1ccncc1
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
OC1CCCN(C1)C(=O)c1cccc(c1)-c1n[nH]c2ncc(Cc3cc(F)ccc3F)cc12
OCCCNC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
OCCCc1cn(nn1)-c1ccc2[nH]ncc2c1
OCCNC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
OCC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)c1ccccc1 |r|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
OC[C@@H](NC(=O)c1cc2\C(=C\c3ccc[nH]3)C(=O)Nc2cc1Br)c1ccccc1 |r|
OC[C@@H](NC(=O)c1cc2\C(=C\c3ccc[nH]3)C(=O)Nc2cc1C#N)c1ccccc1 |r|
OC[C@@H](NC(=O)c1cc2\C(=C\c3ccc[nH]3)C(=O)Nc2cc1Cl)c1ccccc1 |r|
OC[C@@H](NC(=O)c1cc2\C(=C\c3ccc[nH]3)C(=O)Nc2cc1F)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3nc4ccccc4[nH]3)c3ccccc3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(Cl)c(Cl)c3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(Cl)c(F)c3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(Cl)cc3Cl)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(F)c(Cl)c3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(F)c(F)c3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(F)cc3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(F)cc3F)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(cc3)C#N)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3cccc(Cl)c3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3cccc(F)c3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3Cl)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3F)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)c1ccc(Cl)cc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)c1ccc(F)cc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)c1ccccc1Cl |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3ccccn3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3ccco3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3cccs3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3ccn[nH]3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3cnc([nH]3)-c3ccccc3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3cnc([nH]3)-c3ccccc3Cl)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1)c1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3ncc[nH]3)c2c1)c1ccccc1 |r|
OC[C@H](Cc1ccccc1)NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1 |r|
OC[C@H](NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)c1ccccc1 |r|
O[C@@H]1CCCN(C1)C(=O)c1cccc(c1)-c1n[nH]c2ncc(Cc3cc(F)ccc3F)cc12 |r|
O[C@H]1CCCN(C1)C(=O)c1cccc(c1)-c1n[nH]c2ncc(Cc3cc(F)ccc3F)cc12 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
[H][C@@]12CN(C[C@]1([H])[C@H]2N)c1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
c1[nH]nnc1-c1ccc2n[nH]cc2c1
c1n[nH]c2ccc(cc12)-c1cn2cccnc2n1
c1n[nH]c2ccc(cc12)-c1nc2ncccn2c1-c1ccccc1