212 SMILES Strings for cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma

Compound Name
SMILES String
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1C2CCC(C2)C1NC(=O)c1ccc(O)cc1 |THB:22:23:25.26:28,30:29:25.26:28|
CCn1cnc2c(Nc3cccc(Cl)c3)nc(NCCN)nc12
CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CO
CCn1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(NCCN)nc12
CCn1cnc2c(Nc3cccc(c3)C#N)nc(NCCN)nc12
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
[#6]-[#6](-[#6])-n1cnc2c(-[#7]-[#6]\[#6]=[#6](/[#6])-[#6])nc(-[#7])nc12
Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO
CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N
COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC[C@@H](C1)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(C)CC1)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(N)=O
CO[C@@H]1C[C@@H](N(Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C)C1)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(CC1)C(C)C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCN(C)CC1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1CC(N)=O
COCC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CN(C)C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C(C)C)[C@@H](C)C(N)=O
COCCN1CC(C1)(N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC1
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)CC(N)=O
COC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(=O)N(C)C
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC(C1)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC[C@@H]1C(N)=O
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@H]1C(N)=O
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@@H]1C(N)=O
CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C1)C(C)C)C(N)=O
COCCN(Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)[C@@H](C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN[C@H](C)C(N)=O
CNC(=O)[C@H]1CCCN1Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(CCN(C)C)[C@@H](C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(=O)N(C)C
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CO)C(N)=O
Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC
Cc1cc(C)c2c(N)c(sc2n1)C(N)=O
CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 |wU:4.7,wD:1.0,(19.77,-1.9,;21.02,-1.01,;22.42,-1.66,;23.69,-.77,;23.53,.76,;22.14,1.41,;20.89,.52,;24.79,1.65,;26.19,1.01,;26.33,-.53,;27.44,1.9,;27.3,3.44,;28.55,4.33,;29.95,3.7,;30.1,2.15,;31.61,1.81,;32.4,3.14,;33.83,3.77,;33.68,5.31,;32.16,5.65,;31.37,4.31,;35.16,2.99,;35.15,1.44,;36.46,.66,;37.81,1.42,;37.82,2.96,;36.49,3.74,;39.13,.64,;39.12,-.9,;40.44,-1.67,;41.78,-.91,;43.11,-1.69,;41.78,.63,;40.46,1.4,;28.85,1.26,)|
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21
c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O
CCC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
CC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ccc23)c1
CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(c1)C(=O)OCC#C
CCCOC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccncn2)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ccnc3[nH]ncc23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ncc23)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3NC(=O)Cc23)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(NC(C)=O)n2)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(NC(C)=O)ncn2)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(F)c23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(N)n2)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(N)ncn2)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)cc23)c1
CN(C)CC1(CCN(CC1)c1ncnc2[nH]c(C)c(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
COC(=O)c1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
COC(=O)Cc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1CNCC1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC[N@@](CC2)CC1NC(=O)c1ccc(O)cc1 |wU:23.24,wD:27.28,(10.28,-8.36,;9.72,-9.8,;10.68,-11,;8.2,-10.03,;7.63,-11.46,;6.11,-11.69,;5.15,-10.49,;5.71,-9.05,;4.23,-8.64,;7.24,-8.82,;7.8,-7.39,;9.32,-7.16,;6.84,-6.18,;5.32,-6.41,;4.75,-7.85,;4.36,-5.21,;4.92,-3.78,;6.44,-3.55,;7.4,-4.75,;8.92,-4.52,;3.96,-2.57,;2.44,-2.8,;4.52,-1.14,;3.56,.06,;2.06,-.28,;.86,.68,;.86,2.22,;2.06,3.18,;2.35,2.03,;2.35,.88,;3.56,2.84,;4.23,1.45,;5.77,1.45,;6.54,2.79,;5.77,4.12,;8.08,2.79,;8.85,4.12,;10.39,4.12,;11.16,2.79,;12.7,2.79,;10.39,1.45,;8.85,1.45,)|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CC(C3CCCC23)[C@H]1NC(=O)c1ccc(O)cc1 |r|
Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)[N+]([O-])=O
Cc1ccc(N)cc1Nc1nccc(n1)-c1cccnc1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
COc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Clc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1Cc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1
Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Nc1nccc(n1)-c1cccnc1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)C1CCCCC1
COC(=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1
FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)c1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccncc1
COc1ccccc1C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccnc1
Fc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N
CC(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 |r|
O=C1NC(=O)C(=C1n1ccc2ccccc12)n1ccc2ccccc12 |c:5|
NC(CCCN=C(N)N)C(=O)NCCNCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:21,(13.58,-3.7,;15.15,-3.33,;15.75,-1.92,;14.96,-.58,;15.92,.61,;15.38,2.05,;16.55,3.05,;18.06,2.54,;16.29,4.53,;15.94,-4.66,;17.46,-4.35,;15.31,-6.08,;13.77,-6.24,;13.16,-7.65,;11.62,-7.81,;10.71,-6.57,;9.18,-6.71,;8.27,-5.48,;6.74,-5.64,;5.83,-4.39,;4.3,-4.56,;3.39,-3.3,;1.85,-3.3,;1.38,-1.83,;-.09,-1.36,;2.62,-.93,;3.86,-1.83,;5.34,-1.36,;.94,-4.56,;-.6,-4.54,;-1.07,-6.01,;-2.48,-6.64,;-2.64,-8.16,;-1.39,-9.07,;.01,-8.44,;.17,-6.92,;1.41,-6.01,)|
NCCNCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:10|
NC(Cc1ccccc1)C(=O)NCCNCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:22|
NCCCNCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:9|
NCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:4|
NCCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:8|
NC(CCC(O)=O)C(=O)NCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:16|
NCCNCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:7|
NCCCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:9|
NCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:7|
CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1CCCC1NC(=O)c1ccc(O)cc1
CCN1c2ccccc2Cc2c1nc[nH]c2=O
O=c1cc(Nc2ccccc2)nc[nH]1
CCc1nc2Nc3ccccc3Cc2c(=O)[nH]1
COc1ccc2Cc3c(Nc2c1)nc[nH]c3=O
COc1cc2Cc3c(Nc2cc1OC)ncn(CCN1CCOCC1)c3=O
COc1cc2Cc3c(Nc2cc1OC)nc[nH]c3=O
COc1cc2Cc3c(Nc2cc1OC)ncn(C)c3=O
O=c1[nH]cnc2Nc3ccccc3Cc12
COc1ccc2Nc3nc[nH]c(=O)c3Cc2c1
COc1cc2cc3c(nc[nH]c3=O)nc2cc1OC
CNc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
CN(C(=O)c1ccccc1)c1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccs1
Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1ccc[n+]([O-])c1
Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)N(C(=O)c1ccccc1)C(=O)c1ccccc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1CCCNC[C@@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1Cc2ccccc2[C@@H]1NC(=O)c1ccc(O)cc1
Cc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2ccncc2)c1
N(c1cccc(c1)-n1ccnc1)c1nccc(n1)-c1cccnc1
[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2ccccn2)c1
FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2ccc(Cl)cc2)c1
C(Cn1ccnc1)Oc1cccc(Nc2nccc(n2)-c2cccnc2)c1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2ccncc2)c1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccs1
[O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1
OC(=O)c1ccccc1C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
N(c1ccccc1)c1nccc(n1)-c1cccnc1
Clc1cccc(Nc2nccc(n2)-c2cccnc2)c1
NCCCn1ccc2c(cccc12)-c1ccnc(Nc2cccc(OC(F)(F)C(F)F)c2)n1
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccn1
COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC
CC(=O)OCOP1(=O)OC[C@@H]2O[C@H]([C@H](O)[C@@H]2O1)n1c(nc2c(N)ncnc12)N1CCCCC1 |r|
CC(=O)OCOP1(=O)OC[C@@H]2O[C@H]([C@H](O)[C@@H]2O1)n1c(Sc2ccc(Cl)cc2)nc2c(N)ncnc12 |r|
[H][C@@]12COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1c(Sc2ccc(Cl)cc2)nc2c(N)ncnc12 |r|
COc1ccc2C(=O)\C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)c2c1
Nc1ccc2C(=O)\C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)c2c1
Nc1ccc2C(=O)\C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)c2c1
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:18.18,21.22,(9.76,-3.77,;8.25,-3.46,;7.77,-1.99,;8.68,-.75,;7.79,.49,;6.32,.02,;4.99,.79,;4.99,2.33,;6.32,3.1,;7.65,2.33,;9,3.1,;9,4.65,;7.65,5.42,;7.65,6.98,;6.32,4.65,;3.66,.02,;3.65,-1.52,;2.31,-2.29,;.97,-1.52,;.98,.02,;-.34,.8,;-1.68,.04,;-3.03,.81,;-1.7,-1.5,;-.37,-2.29,;4.99,-2.3,;6.32,-1.5,)|
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCC[C@@H](N)C3)nc12
CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N
CC(=O)Nc1cc(Cl)cc2c1nc1c[nH]ccc21
COc1ccc2[nH]c3cnccc3c2c1
Clc1cc(NCc2ccccc2)c2[nH]c3cnccc3c2c1
Clc1cc(NC(=O)c2ccncc2)c2[nH]c3cnccc3c2c1
COc1ccccc1C(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12
Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1
Clc1cc(NC(=O)N2CCOCC2)c2[nH]c3cnccc3c2c1
Clc1ccc2[nH]c3cnccc3c2c1
c1ccc2c(c1)c3ccncc3[nH]2
COc1ccc(cc1)C(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12
Clc1cc(Cl)c2[nH]c3cnccc3c2c1
FC(F)(F)c1ccc2[nH]c3cnccc3c2c1
Clc1cc2c3cc[nH]cc3nc2c(Cl)c1OC(=O)N1CCOCC1
Clc1cc2c(nc3c[nH]ccc23)c(Cl)c1OCC1CCCCC1
Clc1cc2c(nc3c[nH]ccc23)c(Cl)c1OCC1CC1
Clc1cc(NC(=O)c2ccccc2)c2[nH]c3cnccc3c2c1
[O-][N+](=O)c1cc(Cl)cc2c1[nH]c1cnccc21
Brc1ccc2[nH]c3cnccc3c2c1
Fc1ccc2[nH]c3cnccc3c2c1
Clc1cc(NS(=O)(=O)c2ccccc2)c2[nH]c3cnccc3c2c1
Clc1cc(NC(=O)Cc2ccccn2)c2[nH]c3cnccc3c2c1
CCOc1c(Cl)cc2c(nc3c[nH]ccc23)c1Cl
CS(=O)(=O)Nc1cc(Cl)cc2c1nc1c[nH]ccc21
OCCCC(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12
COc1c(Cl)cc2c3cc[nH]cc3nc2c1Cl
COC(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12
Oc1c(Cl)cc2c3cc[nH]cc3nc2c1Cl
CNC(=O)Nc1cc(Cl)cc2c1nc1c[nH]ccc21
COc1cccc(c1)C(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12
N#Cc1ccc2[nH]c3cnccc3c2c1
Clc1cc(NC(=O)c2ccccn2)c2[nH]c3cnccc3c2c1
c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NCc3ccncc3
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1