558 SMILES Strings for Prostacyclin receptor

Compound Name
SMILES String
CCSc1c(c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1)-c1cccc(OC)c1F |r,wU:9.9,12.13,(-3.23,5.5,;-2.83,4.01,;-3.92,2.92,;-3.52,1.43,;-4.6,.33,;-3.89,-1.03,;-2.37,-.78,;-2.14,.74,;-.81,1.51,;.52,.74,;.52,-.8,;1.86,-1.57,;3.19,-.8,;4.53,-1.57,;5.86,-.8,;7.19,-1.57,;8.53,-.8,;9.86,-1.57,;8.53,.74,;3.19,.74,;1.86,1.51,;-4.29,-2.52,;-5.78,-2.92,;-6.17,-4.41,;-5.09,-5.5,;-3.6,-5.1,;-3.2,-3.61,;-6.09,.73,;-7.18,-.36,;-8.66,.04,;-9.06,1.53,;-7.97,2.62,;-8.37,4.11,;-9.86,4.5,;-6.49,2.22,;-5.4,3.31,)|
CSc1c(-c2ccc(C)s2)c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1 |r,wU:14.15,17.19,(-3.06,4.75,;-4.15,3.66,;-3.75,2.18,;-4.83,1.08,;-6.32,1.48,;-7.41,.39,;-8.78,1.09,;-8.54,2.61,;-9.63,3.7,;-7.02,2.85,;-4.12,-.29,;-2.6,-.04,;-2.37,1.49,;-1.04,2.26,;.29,1.49,;.29,-.05,;1.63,-.82,;2.96,-.05,;4.29,-.82,;5.63,-.05,;6.96,-.82,;8.29,-.05,;9.63,-.82,;8.29,1.49,;2.96,1.49,;1.63,2.26,;-4.52,-1.78,;-6.01,-2.18,;-6.41,-3.66,;-5.32,-4.75,;-3.83,-4.35,;-3.43,-2.87,)|
OC(=O)COC[C@H]1CC[C@@H](Cn2nc(c(c2SCC#N)-c2ccccc2)-c2ccccc2)CC1 |r,wU:9.9,6.5,(9.46,-2.31,;8.13,-1.54,;8.13,0,;6.79,-2.31,;5.46,-1.54,;4.13,-2.31,;2.79,-1.54,;1.46,-2.31,;.13,-1.54,;.13,0,;-1.21,.77,;-2.54,0,;-2.77,-1.52,;-4.29,-1.78,;-5,-.41,;-3.92,.69,;-4.32,2.18,;-3.23,3.26,;-3.63,4.75,;-4.03,6.24,;-6.49,-.01,;-6.89,1.48,;-8.37,1.87,;-9.46,.79,;-9.06,-.7,;-7.58,-1.1,;-4.69,-3.26,;-6.17,-3.66,;-6.57,-5.15,;-5.48,-6.24,;-4,-5.84,;-3.6,-4.35,;1.46,.77,;2.79,0,)|
COc1cccc(c1)-c1c(SCCO)n(C[C@@H]2CC[C@H](COCC(O)=O)CC2)nc1-c1ccccc1 |r,wU:16.16,19.20,(-10.55,-.25,;-9.06,-.65,;-7.97,.44,;-8.37,1.93,;-7.28,3.02,;-5.8,2.62,;-5.4,1.13,;-6.49,.04,;-3.91,.73,;-2.83,1.83,;-3.23,3.32,;-2.14,4.41,;-.65,4.01,;.44,5.1,;-1.45,1.14,;-.12,1.91,;1.21,1.14,;1.21,-.4,;2.55,-1.17,;3.88,-.4,;5.22,-1.17,;6.55,-.4,;7.88,-1.17,;9.22,-.4,;10.55,-1.17,;9.22,1.14,;3.88,1.14,;2.55,1.91,;-1.68,-.38,;-3.2,-.63,;-3.6,-2.12,;-5.09,-2.52,;-5.48,-4.01,;-4.4,-5.1,;-2.91,-4.7,;-2.51,-3.21,)|
CC(CNC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1)c1ccccc1
CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)NCc2ccccc2)cc1
CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)NCCc2ccccc2)cc1
CC(NC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1)c1ccccc1
CN(CCc1ccccc1)C(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1
CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
C[C@@H](CNC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1)c1ccccc1 |r|
C[C@H](CNC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1)c1ccccc1 |r|
CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)N[C@H](Cc2ccccc2)C(O)=O)cc1 |r|
CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)NCCc2ccccn2)cc1
CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)NCCc2cccnc2)cc1
CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)NCCc2ccncc2)cc1
CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)Nc2ccccc2)cc1
CNC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1
CC(C)NC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1
CN(C)CCNC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1
CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
CCCCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O |r|
CCCCC[C@H](O)\C=C\C1[C@H](O)CC(=O)[C@H]1CCCCCCC(O)=O |r|
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C\CCCC(O)=O
O[C@@H](CCc1ccccc1)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O |r|
CCCCCC(O)C=CC1C(O)CC(O)C1CCCCCCC(O)=O |w:7.6|
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(O)=O |r|
CCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
CCCCCC(O)C=CC1C(O)CC2OC(CCCCC(O)=O)CC12 |w:7.6|
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C\CCCC(O)=O
CC#CCC(C)C(O)C=CC1C(O)CC2Oc3c(cccc3CCCC(O)=O)C12 |w:8.7|
CCC#CCC(C)C(O)C#CC1C(O)CC2CC(CC12)=CCOCC(O)=O |w:20.22|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O
CCCCCC(O)C=CC1C(O)CC2C=C(CCCCC(O)=O)CC12 |w:7.6,t:14|
CC1=C(CCON=C(c2ccccc2)c2cccnc2)c2cccc(OCC(O)=O)c2CC1 |w:6.5,c:1|
CCCCCC(O)C=CC1CCC(=O)C1CCCCCCC(O)=O |w:7.6|
OC(=O)C(CC=C(CCC1CCC(=O)C1)OCc1ccc(cc1)-c1ccccc1)N1CCOCC1 |w:5.4|
CC(C)Oc1ccc2c(c1)oc1ccc(cc1c2=O)C(O)=O
CCCC1(CCC1)[C@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC |r|
CCCC1(CCC1)[C@@H](O)C\C=C\C1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
OC(CCn1c(CCCCCCC(O)=O)c(O)[nH]c1=O)C1CCCCC1
c1cc(cc(c1)Cl)OC[C@@H](/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O)O
COC(=O)CCC=C=CCC1C(C=CC(O)COc2ccccc2)C(O)CC1=O |w:12.11,(-.79,-17.87,;.54,-17.1,;1.88,-17.87,;1.88,-19.41,;3.21,-17.1,;4.55,-17.87,;5.88,-17.1,;7.21,-17.87,;8.55,-18.64,;9.88,-17.87,;11.21,-18.64,;12.62,-18.02,;12.94,-16.51,;14.41,-16.03,;14.73,-14.53,;13.58,-13.5,;16.19,-14.05,;16.51,-12.55,;17.98,-12.07,;18.3,-10.56,;19.76,-10.09,;20.9,-11.12,;20.58,-12.62,;19.12,-13.1,;13.65,-19.16,;15.18,-19,;12.88,-20.49,;11.38,-20.17,;10.23,-21.2,)|
OC(COc1cccc(c1)C(F)(F)F)C=CC1C(O)CC(O)C1CC=CCCCC(O)=O |w:15.16,24.25|
OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1 |w:12.12|
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1 |r|
CC(C)OC(=O)CCC\C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1
OC(COc1ccccc1)C=CC1CCC(=O)C1CCCCCCC(O)=O |w:11.12|
CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC |r|
CCCCC(C)(O)CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC |w:8.7|
CCCCCC(O)CC=C1C(CC=CCCCC(O)=O)C=CC1=O |w:8.7,12.11,c:20|
Clc1ccc2Oc3ccccc3CN(C(=O)NNC(=O)CCc3ccncc3)c2c1
Clc1ccc2Oc3ccccc3CN(C(=O)NNC(=O)CCSCc3ccco3)c2c1
OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1
CS(=O)(=O)NC(=O)CCCC=CCC1C(C=CC(O)COc2ccccc2)C(O)CC1=O |w:10.9,15.14|
CCCCC[C@H](O)\C=C\C1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
OC(C=CC1C(O)CC(Cl)C1CC=CCCCC(O)=O)C1CCCCC1 |w:2.1,12.12|
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
FC(F)(F)S(=O)(=O)NC(=O)CCc1ccc(Cl)cc1CN1CCC[C@H]1c1nc(co1)C(=O)NCCCCC1CCCCC1 |r|
Fc1ccc(CCC(=O)NS(=O)(=O)C(F)(F)F)c(CN2CCC[C@H]2c2nc(co2)C(=O)NCCCCC2CCCCC2)c1 |r|
COc1ccc(CCC(=O)NS(=O)(=O)C(F)(F)F)c(CN2CCC[C@H]2c2nc(co2)C(=O)NCCCCC2CCCCC2)c1 |r|
FC(F)(F)S(=O)(=O)NC(=O)CCc1cc2OCOc2cc1CN1CCC[C@H]1c1nc(co1)C(=O)NCCCCC1CCCCC1 |r|
CCCCCCCCNC(=O)c1coc(n1)[C@@H]1CCCN1Cc1cc(F)ccc1CCC(=O)NS(=O)(=O)C(F)(F)F |r|
OC(=O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 |r,wU:9.9,wD:6.5,(9.34,-2.31,;8,-1.54,;8,,;6.67,-2.31,;5.33,-1.54,;4,-2.31,;2.67,-1.54,;2.67,,;1.33,.77,;;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-5.33,,;-5.33,-1.54,;-6.67,-2.31,;-6.67,-3.85,;-5.33,-4.62,;-4,-3.85,;-4,-2.31,;-6.67,.77,;-8,,;-9.34,.77,;-9.34,2.31,;-8,3.08,;-8,4.62,;-6.67,2.31,;,-1.54,;1.33,-2.31,)|
OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 |r,wU:9.9,6.5,(10,-1.54,;8.67,-.77,;8.67,.77,;7.34,-1.54,;6,-.77,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,.77,;-4.67,-.77,;-6,-1.54,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-6,1.54,;-7.34,.77,;-8.67,1.54,;-8.67,3.08,;-10,3.85,;-7.34,3.85,;-6,3.08,;2,1.54,;3.33,.77,)|
COc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1cccc(F)c1 |r,wU:16.17,wD:13.13,(31.51,-37.36,;31.51,-35.82,;30.18,-35.05,;30.18,-33.51,;28.85,-32.74,;27.51,-33.51,;27.51,-35.05,;28.85,-35.82,;26.18,-32.74,;24.85,-33.51,;23.51,-32.74,;24.85,-35.05,;23.51,-35.82,;22.18,-35.05,;22.18,-33.51,;20.84,-32.74,;19.51,-33.51,;18.18,-32.74,;16.84,-33.51,;15.51,-32.74,;14.18,-33.51,;12.84,-32.74,;14.18,-35.05,;19.51,-35.05,;20.84,-35.82,;26.18,-31.2,;27.51,-30.43,;27.51,-28.89,;26.18,-28.12,;24.85,-28.89,;23.51,-28.12,;24.85,-30.43,)|
Cc1ccc(s1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1cccc(F)c1 |r,wU:11.11,wD:14.15,(-9.96,2.46,;-8.42,2.46,;-7.51,3.7,;-6.05,3.23,;-6.05,1.69,;-7.51,1.21,;-4.71,.92,;-3.38,1.69,;-3.38,3.23,;-2.05,.92,;-.71,1.69,;.62,.92,;1.95,1.69,;3.29,.92,;3.29,-.62,;4.62,-1.39,;5.96,-.62,;7.29,-1.39,;8.62,-.62,;9.96,-1.39,;8.62,.92,;1.95,-1.39,;.62,-.62,;-4.71,-.62,;-6.05,-1.39,;-6.05,-2.93,;-4.71,-3.7,;-3.38,-2.93,;-2.05,-3.7,;-3.38,-1.39,)|
COc1ccc(cc1)-c1nn(C[C@@H]2CC[C@H](COCC(O)=O)CC2)c(=O)nc1-c1ccccc1 |r,wU:12.12,15.16,(-10,4.62,;-10,3.08,;-8.67,2.31,;-7.34,3.08,;-6,2.31,;-6,.77,;-7.34,,;-8.67,.77,;-4.67,,;-3.33,.77,;-2,,;-.67,.77,;.67,,;.67,-1.54,;2,-2.31,;3.33,-1.54,;4.67,-2.31,;6,-1.54,;7.34,-2.31,;8.67,-1.54,;10,-2.31,;8.67,,;3.33,,;2,.77,;-2,-1.54,;-.67,-2.31,;-3.33,-2.31,;-4.67,-1.54,;-6,-2.31,;-7.34,-1.54,;-8.67,-2.31,;-8.67,-3.85,;-7.34,-4.62,;-6,-3.85,)|
OC(=O)COC[C@H]1CC[C@@H](Cn2nc(-c3ccccc3)c(cc2=O)-c2cccc(Cl)c2F)CC1 |r,wU:9.9,6.5,(9.34,-.77,;8,,;8,1.54,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-6.67,2.31,;-6.67,3.85,;-8,4.62,;-9.34,3.85,;-9.34,2.31,;-8,1.54,;-5.33,,;-4,-.77,;-2.67,,;-1.33,-.77,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-2.31,;-5.33,-3.08,;1.33,2.31,;2.67,1.54,)|
Cc1ccc(cc1)-c1nn(C[C@@H]2CC[C@H](COCC(O)=O)CC2)c(=O)nc1-c1ccc(C)cc1 |r,wU:11.11,14.15,(-10,3.85,;-8.67,3.08,;-7.34,3.85,;-6,3.08,;-6,1.54,;-7.34,.77,;-8.67,1.54,;-4.67,.77,;-3.33,1.54,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;3.33,.77,;2,1.54,;-2,-.77,;-.67,-1.54,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-7.34,-.77,;-8.67,-1.54,;-8.67,-3.08,;-10,-3.85,;-7.34,-3.85,;-6,-3.08,)|
OC(=O)COC[C@H]1CC[C@@H](Cn2nc(-c3ccccc3)c(nc2=O)-c2cccc(Cl)c2)CC1 |r,wU:9.9,6.5,(9.34,-.77,;8,,;8,1.54,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-6.67,2.31,;-6.67,3.85,;-8,4.62,;-9.34,3.85,;-9.34,2.31,;-8,1.54,;-5.33,,;-4,-.77,;-2.67,,;-1.33,-.77,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-2.31,;1.33,2.31,;2.67,1.54,)|
OC(=O)CCCCCCCCn1nc(cc1-c1ccccc1)-c1ccccc1
OC(=O)CCCCCCCCn1nc(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1
OC(=O)CCCCCCCCn1ncc(c1-c1ccccc1)-c1ccccc1
OC(=O)CCCCCCCCn1cc(cn1)-c1ccccc1
OC(=O)CCCCCCCn1ncc(c1-c1ccccc1)-c1ccccc1
OC(=O)CCCCCCCCn1cc(c(n1)-c1ccccc1)-c1ccccc1
OC(=O)COc1cccc2C[C@@H](Cn3nc(ccc3=O)C(c3ccccc3)c3ccccc3)CCc12
OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2cc([nH]c2c1)-c1ccccc1
COC(=O)CCC\C=C/C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(cc1)-c1ccccc1
OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3cc(ccc3c2c1)[N+]([O-])=O
CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3cc(O)ccc13)[C@@H](C\C=C/CCCC(O)=O)C2
CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(F)cc13)[C@@H](C\C=C/CCCC(O)=O)C2
OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2ccccc2c1
OC(=O)CCC\C=C/C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1
CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccccc1)[C@@H](C\C=C/CCCC(O)=O)C2
CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1cccc3ccsc13)[C@@H](C\C=C/CCCC(O)=O)C2
OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)\N=N\c1ccccc1
OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccsc1)[C@@H](C\C=C/CCCC(O)=O)C2
OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3ccccc3c2c1
OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
CC1(C)[C@@H]2C[C@H]1[C@H](NS(=O)(=O)c1ccc(cc1)\N=N\c1ccccc1)[C@@H](C\C=C/CCCC(O)=O)C2
OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccccc1
CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(O)cc13)[C@@H](C\C=C/CCCC(O)=O)C2
CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccc[nH]1)[C@@H](C\C=C/CCCC(O)=O)C2
CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccc(cc1)\N=N\c1ccccc1)[C@@H](C\C=C/CCCC(O)=O)C2
COc1cc2c(cc1S(=O)(=O)N[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]1C\C=C/CCCC(O)=O)oc1ccccc21
CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccccc13)[C@@H](C\C=C/CCCC(O)=O)C2
CC1(C)[C@@H]2C[C@H]1[C@H](NS(=O)(=O)c1ccc3oc4ccccc4c3c1)[C@@H](C\C=C/CCCC(O)=O)C2
OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NC(=O)c1ccc(cc1)\N=N\c1ccccc1
CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccc3oc4ccccc4c3c1)[C@@H](C\C=C/CCCC(O)=O)C2
CC[C@]12CC(=O)n3c([C@@H]1OC)c(CCN(CCC2)C(=O)c1cccc(Br)c1)c1ccccc31 |r|
CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)(c1ccccc1)C(F)(F)F
CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1)c1ccccc1
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O
O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)COc1cccc(Cl)c1
OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(F)c1
O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CCc1ccccc1
OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccs1
CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(c1)C(F)(F)F
OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1ccccc1
OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1cccc(Cl)c1
Cc1cccc(SCC(O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(O)=O)c1
OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CNc1ccccc1
O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)COc1ccccc1
OC(CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O)CSc1nccs1
CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC2Oc3c(cccc3CCCC([O-])=O)[C@H]12
OC(=O)\C=C\c1ccccc1Cc1ccc(Cl)cc1Cl
OC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
CSc1ccc(Cc2ccccc2\C=C\C(O)=O)cc1
OC(=O)\C=C\c1ccccc1Cc1ccc(Cl)c(Cl)c1
CCCC1(CCC1)[C@@H](O)C\C=C\C1[C@H](O)CC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O
CCCC1(CCCCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CCCC1(CCC1)[C@@H](O)C\C=C\C1[C@H](O)CC(=O)[C@@H]1C\C=C\CCCC(O)=O
CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
CCCC1(CCC1)[C@@H](O)C\C=C\C1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
CCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)C[C@H](Cl)[C@@H]1C\C=C/CCCC(O)=O
CCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC[C@@H]1C\C=C/CCCC(O)=O
CCCC1(CCCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CCCCCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CCCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C\C=C/CCCC(O)=O
CC(C)CC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CCCCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(O)=O
COc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1
Cc1ccccc1C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(O)=O
CCCOCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(O)=O
COCCCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1
CSCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(O)=O
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1SCCSCCC(O)=O
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCOCC(O)=O
COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1
Cc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1
CCOCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCSCC(O)=O
COCCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1
COc1ccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)cc1
Cc1ccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)cc1
COc1ccccc1C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(O)=O
O[C@@H](Cc1ccccc1)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(O)=O
COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(O)=O)c1
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(O)=O
Cc1cc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(O)=O)ccc1O
Cc1cc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C\C=C\CCCC(O)=O)ccc1O
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCCCC(O)=O
COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](F)[C@@H]2CCSCCCC(O)=O)c1
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCSCCC(O)=O
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(O)=O
COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(O)=O)c1
COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C\C=C\CCCC(O)=O)c1
COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](F)[C@@H]2C\C=C\CCCC(O)=O)c1
Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1ccccc1Cl)N1CCCC1 |r|
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCP(O)=O |w:18.19|
CP(O)(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1 |w:7.6|
Clc1ccc(cc1Cl)-c1ccccc1\C=C\C(=O)NS(=O)(=O)c1cccs1
OC(=O)C1CC1c1ccccc1-c1csc(c1)-c1ccccc1OCc1ccccc1
[O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
OC(=O)Cc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:14|
OC(=O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1
OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
O=C(NS(=O)(=O)Cc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:24|
OC(=O)c1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:13|
O=C(NOCc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:22|
[O-]C(=O)COc1cccc(C[C@@H]2CCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:14|
[O-]C(=O)COc1cccc(C[C@@H]2CCC[C@@H]3O[C@]23c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
CCCCC[C@@H](CC[C@@H]1[C@H]2Cc3cccc(c3C[C@H]2C[C@H]1O)OCC(=O)O)O
OC(=O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12
OC(=O)COc1cccc2c(CCSC(c3ccccc3)c3ccccc3)coc12
OC(=O)COc1cccc2c(CSCCC(c3ccccc3)c3ccccc3)coc12
CC(SCCc1c(CCCO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
CC(SCCc1c(CCO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
CC(SCCc1coc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
CCC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
CC(c1ccccc1)(c1ccccc1)S(=O)CCc1c(CO)oc2c(OCC(O)=O)cccc12
OC(=O)COc1cccc2c(CCCSC(c3ccccc3)c3ccccc3)coc12
CCCC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
OC(=O)COc1cccc2c(CCCSCC(c3ccccc3)c3ccccc3)coc12
CC(c1ccccc1)(c1ccccc1)S(=O)(=O)CCc1c(CO)oc2c(OCC(O)=O)cccc12
OC(=O)COc1cccc2c(CSC(c3ccccc3)c3ccccc3)coc12
OC(=O)COc1cccc2c(CCSCCC(c3ccccc3)c3ccccc3)coc12
CC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1
OCc1oc2c(OCC(O)=O)cccc2c1CCSC(c1ccccc1)(c1ccccc1)C(F)(F)F
OC(=O)COc1cccc2c(CSCC(c3ccccc3)c3ccccc3)coc12
OCc1oc2c(OCC(O)=O)cccc2c1CCSC(c1ccccc1)c1ccccc1
OC(=O)COc1cccc2c(CCCSCCC(c3ccccc3)c3ccccc3)coc12
CC(O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
CC(=O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O |r|
OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(F)cc(F)cc21
[O-]C(=O)COc1cccc(CN2CCC[C@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
[O-]C(=O)COc1cccc(CC2=C(CCCC2)c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |t:11|
[O-]C(=O)COc1cccc(CN2CCC[C@@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
[O-]C(=O)COc1cccc(C[C@@H]2CCC[C@@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
[O-]C(=O)COc1cccc(C[C@@H]2CCC[C@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
[O-]C(=O)COc1cccc(C[C@@H]2CCCC[C@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
[O-]C(=O)COc1cccc(Cc2ccccc2-c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
[O-]C(=O)COc1cccc(C[C@@H]2CCCC[C@@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(n1)-c1ccccc1
CC(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
COc1ccc2cc(ccc2c1)OCC3(CN(C3)C(=O)c4ccc(cc4)F)C(=O)O
C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
Cn1cc(\C=C\C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc4ccccc4c3)cccc12
Cn1cc(\C=C\C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(F)c(Cl)c3)cccc12
Cn1cc(\C=C\C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(Cl)cc3F)cccc12
CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
OC(=O)COc1cccc2CC(C\C=C/CC(c3ccccc3)c3ccccc3)CCc12
CCCCCC(O)\C=C\CC1CCc2c(C1)cccc2OCC(O)=O
OC(=O)COc1cccc2C(CC\C=N\OC(c3ccccc3)c3ccccc3)CCCc12
CCCCCC(O)\C=C\CCCc1cccc(OCC(O)=O)c1
OC(=O)COc1cccc(CCC\C=N\OC(c2ccccc2)c2ccccc2)c1
OC(=O)COc1cccc2CC(C\C=C\CC(c3ccccc3)c3ccccc3)CCc12
CCCCCC(O)\C=C\CCC1CCCc2c(OCC(O)=O)cccc12
OC(=O)COc1cccc2CC(C\C=N\OC(c3ccccc3)c3ccccc3)CCc12
OC(Cc1ccccc1)\C=C\CC1CCc2c(C1)cccc2OCC(O)=O
OC(=O)COc1cccc2CC(C\C=C\CCc3ccccc3)CCc12
C\C(C[C@@H]1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccc1
C\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OCc1ccccc1
CCC\C(CCC1CCCc2c(OCC(O)=O)cccc12)=N/OC(c1ccccc1)c1ccccc1
CC\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccc1
C\C(C[C@H]1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccc1
CCC\C(CC1CCc2c(C1)cccc2OCC(O)=O)=N/OC(c1ccccc1)c1ccccc1
[#8]-[#6](=O)-[#6]-[#8]-c1cccc2-[#6]-[#6](-[#6]-[#8]\[#7]=[#6](\c3ccccc3)-c3ccccc3)-[#6]-[#6]-c12
OC(=O)COc1cccc2C(CCCCOC(c3ccccc3)c3ccccc3)CCCc12
OC(=O)COc1cccc2CC(CC(=O)NN(c3ccccc3)c3ccccc3)CCc12
[#8]-[#6](=O)-[#6]-[#8]-c1cccc2-[#6](-[#6]-[#6]-[#8]\[#7]=[#6](/c3ccccc3)-c3ccccc3)-[#6]-[#6]-[#6]-c12
OC(=O)COc1cccc2C(CCC(=O)NN(c3ccccc3)c3ccccc3)CCCc12
OC(=O)COc1cccc2CC(CCOC(c3ccccc3)c3ccccc3)CCc12
OC(=O)COc1cccc2C(CCCOC(c3ccccc3)c3ccccc3)CCCc12
OC(=O)COc1cccc2CC(CCCOC(c3ccccc3)c3ccccc3)CCc12
OC(=O)COc1cccc2C(CCn3cc(cn3)C(c3ccccc3)c3ccccc3)=CCCc12 |c:33|
OC(=O)COc1cccc2C(CCn3cc(cn3)C(c3ccccc3)c3ccccc3)CCCc12
OC(=O)COc1cccc2CC(Cn3cc(cn3)C(c3ccccc3)c3ccccc3)CCc12
OC(=O)COc1cccc2C=C(Cn3cc(cn3)C(c3ccccc3)c3ccccc3)CCc12 |t:10|
CCC(CC)c1nnc(NC(=O)c2ccc3OCCOc3c2)s1
Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O
CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)nc(N(C)C)c1CC(O)=O
c1ccc2c(c1)c3c(n2CCC(=O)O)CC[C@H](C3)NS(=O)(=O)c4ccc(cc4)F
CN([C@@H]1CCC2=C(C1)C1C=CC=CC1N2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r,c:5,10,12|
CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(CC(O)=O)c3ccccn3c2C1)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(CC(O)=O)n3ccccc3c2C1)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(C1)c1ncccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(C1)c1cccnc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(C1)c1nccnc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(CC(O)=O)c3ncccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Cc1cn(Cc2ccc3ccccc3c2)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2ncn(Cc3ccc(Cl)cc3Cl)c12
C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r|
C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r|
C[C@H](NC(=O)c1c(C)sc(C)c1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r|
C[C@H](NC(=O)c1c(C)sc(C)c1Cc1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)=O |r|
C[C@H](NC(=O)c1c(C)sc(C)c1Cc1ccc(Cl)cc1)c1ccc(cc1)C(O)=O |r|
C[C@H](NC(=O)c1c(C)sc(C)c1Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(O)=O |r|
Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1cccc(c1)C(F)(F)F
Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
C[C@@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r|
OC(=O)c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1
Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(cc(F)cc12)-c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)no1
OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)cc1
OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)c(F)c1
OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1cccc2ccn(Cc3ccc(cc3)C(F)(F)F)c12
C[C@@H](c1ccc(cc1)C(F)(F)F)n1c2[C@@H](CC(O)=O)CCCc2c2cc(F)cc(c12)S(C)(=O)=O |r|
CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC
CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)cc3c(CC(O)=O)cccc23)Oc2ccccc12
Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2COc3ccccc3O2)cc1C |r|
Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2COc3ccccc23)cc1C |r|
Cc1c(CC(O)=O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2COc3ccccc23)cc1C |r|
Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2Cc3ccccc3O2)cc1C |r|
Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(OCC2Oc3ccccc3O2)cc1C
CN1C(COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4ccccc34)c(C)c2)Cc2ccccc12
CCN1C(COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4ccccc34)c(C)c2)Cc2ccccc12
CCN1[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4ccccc34)c(C)c2)Cc2ccccc12 |r|
CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)c(CC(O)=O)c3ccccc23)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)c(CC(O)=O)c3cc(C)ccc23)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)c(CC(O)=O)c3cc(Cl)ccc23)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)c(CC(O)=O)c3cc(F)ccc23)Oc2ccccc12 |r|
COc1ccc2n(C(=O)c3ccc(OC[C@@H]4CN(C)c5ccccc5O4)cc3)c(C)c(CC(O)=O)c2c1 |r|
CN1C[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4ccccc34)c(C)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4ccccc34)c(F)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(cc2C)C(=O)n2c(C)c(CC(O)=O)c3ccccc23)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(cc2Cl)C(=O)n2c(C)c(CC(O)=O)c3ccccc23)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(cc2F)C(=O)n2c(C)c(CC(O)=O)c3ccccc23)Oc2ccccc12 |r|
COc1cc(ccc1OC[C@@H]1CN(C)c2ccccc2O1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4ccccc34)c(C)c2C)Oc2ccccc12 |r|
CN1C[C@@H](COc2cc(C)c(cc2C)C(=O)n2c(C)c(CC(O)=O)c3ccccc23)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4cc(F)ccc34)c(C)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4cc(F)ccc34)c(Cl)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4cc(F)ccc34)c(F)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(cc2C)C(=O)n2c(C)c(CC(O)=O)c3cc(F)ccc23)Oc2ccccc12 |r|
COc1cc(ccc1OC[C@@H]1CN(C)c2ccccc2O1)C(=O)n1c(C)c(CC(O)=O)c2cc(F)ccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4cc(F)ccc34)c(C)c2C)Oc2ccccc12 |r|
CN1C[C@@H](COc2cc(C)c(cc2C)C(=O)n2c(C)c(CC(O)=O)c3cc(F)ccc23)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)n3c(C)c(CC(O)=O)c4ccccc34)c(Cl)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(cc2)C(=O)Nc2cccc(CC(O)=O)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(cc2)S(=O)(=O)Nc2cccc(CC(O)=O)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(NC(=O)c3cccc(CC(O)=O)c3)cc2)Oc2ccccc12 |r|
CN(C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1)c1cccc(CC(O)=O)c1 |r|
CCN(C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1)c1cccc(CC(O)=O)c1 |r|
CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)Nc3cc(C)cc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(Cl)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3F)c(Cl)c2)Oc2ccccc12 |r|
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccccc1
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccc(Cl)cc1
CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2C)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(Cl)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2cc(C)c(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2cc(C)c(cc2C)C(=O)Nc2cccc(CC(O)=O)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2C)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(Cl)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(cc2)C(=O)n2ccc3c(CC(O)=O)cccc23)Oc2ccccc12 |r|
Cc1cc(OC[C@@H]2COc3ccccc3O2)cc(C)c1C(=O)Nc1cc(CC(O)=O)ccc1Cl |r|
Cc1cc(OC[C@@H]2COc3ccccc23)cc(C)c1C(=O)Nc1cc(CC(O)=O)ccc1Cl |r|
Cc1cc(OC[C@@H]2Cc3ccccc3O2)cc(C)c1C(=O)Nc1cc(CC(O)=O)ccc1Cl |r|
Cc1cc(OCC2Oc3ccccc3O2)cc(C)c1C(=O)Nc1cc(CC(O)=O)ccc1Cl
Cc1ccc2OC[C@@H](COc3cc(C)c(C(=O)Nc4cc(CC(O)=O)ccc4Cl)c(C)c3)c2c1 |r|
CN1C[C@@H](COc2ccc(C(=O)Nc3cc(ccc3Cl)C(C)(C)C(O)=O)c(Cl)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2cc(C)c(cc2C)C(=O)Nc2cc(ccc2Cl)C(C)(C)C(O)=O)Oc2ccccc12 |r|
CN1C[C@@H](COc2cc(C)c(C(=O)Nc3cc(ccc3Cl)C(C)(C)C(O)=O)c(C)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2cc(C)c(cc2C)C(=O)Nc2cc(ccc2Cl)C2(CC2)C(O)=O)Oc2ccccc12 |r|
CN1C[C@@H](COc2cc(C)c(C(=O)Nc3cc(ccc3Cl)C3(CC3)C(O)=O)c(C)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)Nc3cc(ccc3Cl)C(F)(F)C(O)=O)c(Cl)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2cc(C)c(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(C)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2cc(C)c(cc2C)C(=O)Nc2cc(CC(O)=O)ccc2Cl)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(C)c2C)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(C)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3F)c(C)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2cc(C)c(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2)Oc2ccccc12 |r|
CN1C[C@@H](COc2cc(C)c(cc2C)C(=O)Nc2cc(CC(O)=O)ccc2C)Oc2ccccc12 |r|
O[C@H](Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1
CCCCCC(O)CC[C@@H]1CCC(=O)N1CCCCCCC(O)=O
OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCSCC(O)=O
CCCCCC(O)CCC1CCC(=O)N1CCCCCCC(O)=O
CC(C)(C(O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O)c1ccccc1
COCc1cccc(CC(O)\C=C\[C@H]2CCC(=O)N2CCCCCCC(O)=O)c1
OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCSc1nnn[nH]1
CCCCCC(O)\C=C\[C@@H]1CCC(=O)N1CCCCCCC(O)=O
OC(\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O)C1(CC1)c1ccccc1
CC(O)(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCSCCC(O)=O
OC(\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O)C1CCCCC1
OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
O[C@@H](Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1
OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCSCc1nnn[nH]1
OC(CCc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
COC(=O)CSCCCCN1[C@H](CCC1=O)\C=C\C(O)Cc1ccccc1
CCCCCC(O)CC[C@H]1CCC(=O)N1CCCCCCC(O)=O
CCCCCC(O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
OC(=O)COc1cccc2CC(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
[O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
OC(=O)COc1cccc2C[C@@](O)(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
[O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Cc1ccc(OCc2ccccc2)c(\C=C\Cc2ccccc2\C=C\C(O)=O)c1
O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1Cc1ccc2ccccc2c1
OC(=O)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Cc1ccc(OCc2ccccc2)c(C\C=C\c2ccccc2\C=C\C(O)=O)c1
Cc1ccc(OCc2c(Cl)cccc2Cl)c(\C=C\Cc2ccccc2\C=C\C(O)=O)c1
COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
CCOc1c2C(=O)N(Cc2c(OCC)c2ncccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2ccccc2OC)cc1C
COc1cccc(OC)c1C1(CC1)C(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2cccnc2c3OCC(F)(F)F)c(C)c1
CS(=O)(=O)c1cc(F)cc2n3CCC[C@@H](CC(O)=O)c3c(C(=O)c3ccc(Cl)cc3)c12
CS(=O)(=O)c1cc(F)cc2n3CCC[C@H](CC(O)=O)c3c(C(=O)c3ccc(Cl)cc3)c12
Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O
CCCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
O[C@@H](C\C=C\[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C\C=C/CCCC(O)=O)C1(CC=C)CCC1 |r|
CC(C)(C)c1ccc(cc1)CN(Cc2cccc(c2)OCC(=O)O)S(=O)(=O)c3cccnc3
CCc1ccccc1NC(=O)N1C[C@@H](C)Oc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,13.14,wD:31.35,(3.45,-11.77,;3.48,-13.31,;4.83,-14.05,;4.86,-15.59,;6.21,-16.33,;7.53,-15.52,;7.49,-13.98,;6.14,-13.26,;6.11,-11.72,;7.42,-10.91,;8.77,-11.65,;7.38,-9.37,;6.03,-8.64,;6,-7.1,;4.65,-6.36,;7.32,-6.29,;8.67,-7.04,;9.98,-6.23,;11.33,-6.98,;11.37,-8.52,;10.06,-9.31,;8.7,-8.58,;12.65,-6.17,;14,-6.92,;15.31,-6.11,;15.27,-4.57,;13.92,-3.84,;12.61,-4.63,;16.59,-3.78,;16.55,-2.23,;17.87,-1.43,;19.22,-2.18,;20.53,-1.37,;21.88,-2.1,;23.19,-1.3,;21.92,-3.64,;19.26,-3.72,;17.94,-4.51,)|
Fc1ccc2n(ccc2c1)-c1cc(Cl)c2OCCN(Cc3cc[nH]c(=O)c3)Cc2c1
COc1ccc(cc1F)-c1c(cnn(CC2CCc3c(C2)cccc3OCC(O)=O)c1=O)-c1ccccc1
COc1ccc(cc1)-c1c(cnn(CC2CCc3c(C2)cccc3OCC(O)=O)c1=O)-c1ccccc1
OC(=O)COc1cccc2CC(Cn3ncc(-c4ccccc4)c(-c4ccc(F)cc4)c3=O)CCc12
OC(=O)COc1cccc2CC(Cn3ncc(-c4ccccc4)c(-c4cccc(F)c4)c3=O)CCc12
COc1cccc(c1F)-c1cnn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)c1-c1ccccc1
OC(=O)COc1cccc2CC(Cn3ncc(-c4cccc(F)c4F)c(-c4ccc(F)cc4)c3=O)CCc12
OC(=O)COc1cccc2C[C@H](Cn3ncc(-c4cccc(F)c4F)c(-c4ccc(F)cc4)c3=O)CCc12 |r|
[#8]-[#6](=O)-[#6]-[#8]-c1cccc2-[#6](-[#6]-[#6]-[#8]\[#7]=[#6](\c3ccccc3)-c3ccccc3)=[#6]-[#6]-[#6]-c12 |c:29|
OC(=O)COc1cccc2CC(Cn3ncc(-c4ccccc4)c(-c4ccccc4)c3=O)CCc12
OC(=O)COc1cccc2CC(Cn3ncc(-c4cccc(F)c4)c(-c4ccccc4)c3=O)CCc12
OC(=O)COc1cccc2CC(Cn3ncc(-c4ccccc4F)c(-c4ccccc4)c3=O)CCc12
OC(=O)COc1cccc2CC(Cn3ncc(-c4cccc(F)c4F)c(-c4ccccc4)c3=O)CCc12
OC(=O)COc1cccc2CC(Cn3ncc(-c4ccccc4)c(-c4ccccc4F)c3=O)CCc12 |(1.61,-6.01,;2.67,-5.39,;3.74,-6,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-4.01,1.54,;-4.01,3.08,;-2.67,3.85,;-2.67,5.39,;-4,6.16,;-3.99,7.7,;-5.32,8.48,;-5.32,10.02,;-3.98,10.78,;-2.65,10.01,;-2.66,8.47,;-5.34,5.4,;-6.67,6.17,;-8,5.41,;-9.34,6.18,;-9.33,7.72,;-8,8.49,;-6.66,7.71,;-5.77,8.22,;-5.34,3.86,;-6.41,3.25,;-2.68,-.77,;-1.33,-1.54,;,-.77,)|
COc1ccc(cc1)-c1cnn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)c1-c1ccccc1
OC(=O)COc1cccc2CC(Cn3ncc(-c4cccc(Cl)c4)c(-c4ccccc4)c3=O)CCc12
COc1cccc(c1)-c1cnn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)c1-c1ccccc1
COc1cccc(c1)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccc(F)cc1
COc1cccc(c1)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccc(C)cc1
COc1ccc(cc1F)-c1nn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)cc1-c1ccccc1
COc1ccc(c(F)c1)-c1nn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)cc1-c1ccccc1
OC(=O)COc1cccc2CC(Cn3nc(-c4ccc(F)cc4)c(cc3=O)-c3ccccc3)CCc12
Cc1ccc(cc1)-c1nn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)cc1-c1ccccc1
COc1ccc(cc1)-c1nn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)cc1-c1ccccc1
OC(=O)COc1cccc2CC(Cn3nc(-c4cccc(F)c4)c(cc3=O)-c3ccccc3)CCc12
COc1cccc(c1)-c1nn(CC2CCc3c(C2)cccc3OCC(O)=O)c(=O)cc1-c1ccccc1
COc1cccc(c1F)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccccc1
OC(=O)COc1cccc2CC(Cn3nc(-c4ccccc4)c(cc3=O)-c3cccc(Cl)c3)CCc12
OC(=O)COc1cccc2CC(Cn3nc(-c4ccccc4)c(cc3=O)-c3cccc(F)c3)CCc12
Cc1cccc(c1)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccccc1
COc1cccc(c1)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccccc1
COc1ccc(cc1)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccccc1
OC(=O)COc1cccc2CC(Cn3nc(-c4ccccc4)c(cc3=O)-c3ccccc3)CCc12
[H][C@]12C[C@@H](O)[C@H](COc3ccc(Cl)c(C)c3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
[H][C@]12C[C@@H](O)[C@H](COc3ccc(Cl)c(C)c3)[C@@]1([H])CC[C@@H](O2)c1nc(co1)C(O)=O |r|
[H][C@]12C[C@@H](O)[C@H](COc3ccc(Cl)c(C)c3)[C@@]1([H])CC[C@@H](O2)c1ccc(o1)C(O)=O |r|
[H][C@]12C[C@@H](O)[C@H](COc3ccc(Cl)c(C)c3)[C@@]1([H])CC[C@@H](O2)c1csc(c1)C(O)=O |r|
[H][C@]12C[C@@H](O)[C@H](COc3ccc(Cl)c(C)c3)[C@@]1([H])CC[C@@H](O2)c1coc(c1)C(O)=O |r|
[H][C@]12C[C@H](O)[C@H](COc3ccc(Cl)c(C)c3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
[H][C@]12C[C@H](OC)[C@H](COc3ccc(Cl)c(C)c3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
[H][C@]12C[C@H](F)[C@H](COc3ccc(Cl)c(C)c3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
OC(=O)COc1ccc(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1
OC(=O)COc1cccc(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)c1
OC(=O)COc1ccc(CCCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1
OC(=O)COc1ccc(CN(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1
OC(=O)COc1cccc2N(CCN(C(=O)c3ccccc3)c3ccc(Cl)cc3)CCOc12
OC(=O)COC1CCC(CC1)=CCN(C(=O)c1ccccc1)c1ccc(Cl)cc1 |(5.07,-3.24,;4,-3.86,;4,-5.09,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-6.67,-.47,;-8.01,1.53,;-9.34,.76,;-10.68,1.53,;-10.68,3.07,;-9.34,3.84,;-8.01,3.07,;-5.34,3.07,;-6.68,3.84,;-6.68,5.38,;-5.34,6.15,;-5.34,7.39,;-4.01,5.38,;-4.01,3.84,)|
OC(=O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1
OC(=O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)C1
OC(=O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccccc2)CC1
Cc1ccc(cc1)N(CCN1CCC(CC1)OCC(O)=O)C(=O)c1ccccc1
COc1ccc(cc1)N(CCN1CCC(CC1)OCC(O)=O)C(=O)c1ccccc1
OC(=O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccc(cc2)N2CCCC2)CC1
Cc1cc(C)c(N(CCN2CCC(CC2)OCC(O)=O)C(=O)c2ccccc2)c(C)c1
Cc1ccc(N(CCN2CCC(CC2)OCC(O)=O)C(=O)c2ccccc2)c(C)c1
Cc1cccc(c1)N(CCN1CCC(CC1)OCC(O)=O)C(=O)c1ccccc1
Cc1ccccc1N(CCN1CCC(CC1)OCC(O)=O)C(=O)c1ccccc1
CC(C)c1ccc(cc1)N(CCN1CCC(CC1)OCC(O)=O)C(=O)c1ccccc1
CCCCc1ccc(cc1)N(CCN1CCC(CC1)OCC(O)=O)C(=O)c1ccccc1
CCCc1ccc(cc1)N(CCN1CCC(CC1)OCC(O)=O)C(=O)c1ccccc1
CCc1ccc(cc1)N(CCN1CCC(CC1)OCC(O)=O)C(=O)c1ccccc1
Cc1ccc(cc1)N(CCN1CCC(CC1)OCC(O)=O)C(=O)c1ccc2OCOc2c1
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@H](CCCC(O)=O)O2 |r|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
[H][C@]12C[C@@H](O)[C@H](\C=C\CCOc3ccccc3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
[H][C@]12C[C@@H](O)[C@H](\C=C\CCCOc3ccccc3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1\C=C\COc1ccccc1)c1nc(cs1)C(O)=O
[H][C@]12C[C@@H](O)[C@H](CCCOc3ccccc3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
[H][C@]12C[C@@H](O)[C@H](CCOc3ccccc3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
[H][C@]12C[C@@H](O)[C@H](COc3ccccc3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@@H](CCC(O)=O)CO2 |r|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CCC[C@@H](CCC(O)=O)O2 |r|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC=C(CCCCCC(O)=O)CO2 |r,t:23|
O[C@@H](CCc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r|
O[C@@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC=C(CCCCC(O)=O)CO2 |r,t:23|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@@H](CCCC(O)=O)CO2 |r|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@@H](CCCCC(O)=O)CO2 |r|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@H](CCCC(O)=O)CO2 |r|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CCC[C@H](CCC(O)=O)O2 |r|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@H](CCCCC(O)=O)CO2 |r|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC=C(CCCC(O)=O)CO2 |r,t:23|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@@H](CCCC(O)=O)O2 |r|
CS(=O)(=O)NC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1 |r|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@H](CCC(O)=O)CO2 |r|
[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC=C(CCC(O)=O)CO2 |r,t:23|
C1CN=C(Nc2ccc(SC3CCCCC3)cc2)N1 |t:2|
CC\N=C(/N)NCc1ccc(Sc2ccc(Cl)cc2)cc1
Cc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:11|
Clc1ccc(Sc2ccc(CNC3=NCCN3)cc2)cc1 |t:12|
COc1ccc(cc1)C(=O)c1ccc(NC2=NCCN2)cc1 |t:16|
COc1ccc(Sc2ccc(NC3=NCCCCN3)cc2)cc1 |t:12|
C1CN=C(Nc2ccc(Sc3ccc4OCCOc4c3)cc2)N1 |t:2|
CC\N=C(/N)Nc1ccc(Sc2ccc(OC)cc2)cc1
COc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 |t:12|
COc1ccc(Sc2ccc(NC3=NC(C)CN3)cc2)cc1 |t:12|
OC(=O)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:13|
COc1ccc(Sc2ccc(NC3=NC(C)(C)CN3)cc2)cc1 |t:12|
COc1cccc(Sc2ccc(NC3=NCCN3)cc2)c1 |t:13|
FC(F)(F)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:14|
COc1ccc(cc1)-c1ccc(NC2=NCCN2)cc1 |t:14|
COc1ccc(Sc2ccc3N=C4NCCN4Cc3c2)cc1 |t:11|
COc1ccc(Sc2ccc(cc2)C(N)=N)cc1
C1CN=C(Nc2ccc(Sc3ccccc3)cc2)N1 |t:2|
[O-][N+](=O)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:13|
Clc1cccc(Cl)c1Sc1ccc(NC2=NCCN2)cc1 |t:15|
COc1ccc(Sc2ccc(CN3CCCC3)cc2)cc1
COc1ccc(Sc2cccc(NC3=NCCN3)c2)cc1 |t:13|
COc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:12|
C1CN=C(Nc2ccc3sc4ccccc4c3c2)N1 |t:2|
COc1ccc(Sc2ccc(cc2)C2=NCCN2)cc1 |t:14|
Clc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:11|
CCN\C(Nc1ccc(Sc2ccc(OC)cc2)cc1)=N/CC
COc1ccc(Sc2ccc(Cc3c[nH]cn3)cc2)cc1
COc1ccc(cc1)S(=O)(=O)c1ccc(NC2=NCCN2)cc1 |t:17|
COc1ccc(Oc2ccc(NC3=NCCN3)cc2)cc1 |t:12|
CC(C)(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:14|
COc1ccccc1Sc1ccc(NC2=NCCN2)cc1 |t:15|
COc1ccc(OC)c(Sc2ccc(NC3=NCCN3)cc2)c1 |t:15|
COc1ccc(Sc2ccccc2NC2=NCCN2)cc1 |t:15|
CCOC(=O)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:15|
CCOc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:13|
CS(=O)(=O)Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:15|
CC(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:13|
COc1ccc(Sc2ccc(cc2)-c2ncc[nH]2)cc1
CC\N=C(/N)Nc1ccc(Sc2ccc(Cl)cc2)cc1
COc1ccc(cc1)N(C)c1ccc(NC2=NCCN2)cc1 |t:16|
COc1ccc(Sc2ccc(CC3=NCCN3)cc2)cc1 |t:12|
CC(C)Oc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:14|
COc1ccc(Sc2ccc(NC3=NCCCN3)cc2)cc1 |t:12|
CSc1ccc(NC2=NCCN2)cc1 |t:7|
CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(cc1)C(O)=O |r|
Cc1c(c2cccnc2n1Cc3ccc(cc3C(F)(F)F)S(=O)(=O)C)CC(=O)O
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 |r,wU:6.5,wD:9.9,(30.68,-33.76,;29.35,-34.53,;29.35,-36.07,;28.02,-33.76,;28.02,-32.22,;26.68,-31.45,;25.35,-32.22,;25.35,-33.76,;24.02,-34.53,;22.68,-33.76,;21.35,-34.53,;20.01,-33.76,;18.68,-34.53,;18.68,-36.07,;17.35,-33.76,;16.01,-34.53,;16.01,-36.07,;14.68,-36.84,;13.35,-36.07,;13.35,-34.53,;14.68,-33.76,;17.35,-32.22,;16.01,-31.45,;16.01,-29.91,;17.35,-29.14,;18.68,-29.91,;18.68,-31.45,;22.68,-32.22,;24.02,-31.45,)|
COc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:16.17,wD:13.13,(12.53,-35.95,;13.86,-36.72,;15.19,-35.95,;16.53,-36.72,;17.86,-35.95,;17.86,-34.41,;16.53,-33.64,;15.19,-34.41,;19.19,-33.64,;20.53,-34.41,;20.53,-35.95,;21.86,-33.64,;23.2,-34.41,;24.53,-33.64,;25.86,-34.41,;27.2,-33.64,;27.2,-32.1,;28.53,-31.33,;29.86,-32.1,;29.86,-33.64,;31.2,-34.41,;32.53,-33.64,;31.2,-35.95,;25.86,-31.33,;24.53,-32.1,;19.19,-32.1,;17.86,-31.33,;17.86,-29.79,;19.19,-29.02,;20.53,-29.79,;20.53,-31.33,)|
COc1ccc(cc1)N(C(=O)OC[C@@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:13.13,16.17,(12.53,-35.95,;13.86,-36.72,;15.19,-35.95,;16.53,-36.72,;17.86,-35.95,;17.86,-34.41,;16.53,-33.64,;15.19,-34.41,;19.19,-33.64,;20.53,-34.41,;20.53,-35.95,;21.86,-33.64,;23.2,-34.41,;24.53,-33.64,;25.86,-34.41,;27.2,-33.64,;27.2,-32.1,;28.53,-31.33,;29.86,-32.1,;29.86,-33.64,;31.2,-34.41,;32.53,-33.64,;31.2,-35.95,;25.86,-31.33,;24.53,-32.1,;19.19,-32.1,;17.86,-31.33,;17.86,-29.79,;19.19,-29.02,;20.53,-29.79,;20.53,-31.33,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(14.03,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.03,-35.33,;19.36,-34.56,;19.36,-33.02,;20.7,-32.25,;22.03,-33.02,;23.36,-32.25,;24.7,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.7,-35.33,;28.7,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.7,-32.25,;30.03,-33.02,;31.37,-32.25,;31.37,-30.71,;30.03,-29.94,;30.03,-28.4,;28.7,-30.71,;22.03,-34.56,;20.7,-35.33,)|
OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 |r,wU:9.9,6.5,(14.03,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.03,-35.33,;19.36,-34.56,;19.36,-33.02,;20.7,-32.25,;22.03,-33.02,;23.36,-32.25,;24.7,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.7,-35.33,;28.7,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.7,-32.25,;30.03,-33.02,;31.37,-32.25,;31.37,-30.71,;30.03,-29.94,;30.03,-28.4,;28.7,-30.71,;22.03,-34.56,;20.7,-35.33,)|
OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 |r,wU:9.9,6.5,(14.02,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.02,-35.33,;19.36,-34.56,;19.36,-33.02,;20.69,-32.25,;22.03,-33.02,;23.36,-32.25,;24.69,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.69,-35.33,;28.69,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.69,-32.25,;30.03,-33.02,;31.36,-32.25,;31.36,-30.71,;30.03,-29.94,;30.03,-28.4,;28.69,-30.71,;22.03,-34.56,;20.69,-35.33,)|
COc1cccc(c1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:16.17,wD:13.13,(30.85,-28.01,;29.51,-28.78,;29.51,-30.32,;30.85,-31.09,;30.85,-32.63,;29.51,-33.4,;28.18,-32.63,;28.18,-31.09,;26.85,-33.4,;25.51,-32.63,;25.51,-31.09,;24.18,-33.4,;22.85,-32.63,;21.51,-33.4,;20.18,-32.63,;18.84,-33.4,;18.84,-34.94,;17.51,-35.71,;16.18,-34.94,;16.18,-33.4,;14.84,-32.63,;13.51,-33.4,;14.84,-31.09,;20.18,-35.71,;21.51,-34.94,;26.85,-34.94,;28.18,-35.71,;28.18,-37.25,;26.85,-38.02,;25.51,-37.25,;25.51,-35.71,)|
Cc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:15.16,wD:12.12,(13.2,-36.56,;14.53,-35.79,;15.86,-36.56,;17.2,-35.79,;17.2,-34.25,;15.86,-33.48,;14.53,-34.25,;18.53,-33.48,;19.87,-34.25,;19.87,-35.79,;21.2,-33.48,;22.53,-34.25,;23.87,-33.48,;25.2,-34.25,;26.53,-33.48,;26.53,-31.94,;27.87,-31.17,;29.2,-31.94,;29.2,-33.48,;30.53,-34.25,;31.87,-33.48,;30.53,-35.79,;25.2,-31.17,;23.87,-31.94,;18.53,-31.94,;17.2,-31.17,;17.2,-29.63,;18.53,-28.86,;19.87,-29.63,;19.87,-31.17,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 |r,wU:6.5,wD:9.9,(31.35,-33.64,;30.02,-34.41,;30.02,-35.95,;28.69,-33.64,;28.69,-32.1,;27.35,-31.33,;26.02,-32.1,;26.02,-33.64,;24.69,-34.41,;23.35,-33.64,;22.02,-34.41,;20.68,-33.64,;19.35,-34.41,;19.35,-35.95,;18.02,-33.64,;18.02,-32.1,;16.68,-31.33,;16.68,-29.79,;18.02,-29.02,;19.35,-29.79,;19.35,-31.33,;16.68,-34.41,;16.68,-35.95,;15.35,-36.72,;14.02,-35.95,;12.68,-36.72,;14.02,-34.41,;15.35,-33.64,;23.35,-32.1,;24.69,-31.33,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 |r,wU:6.5,wD:9.9,(31.59,-32.87,;30.26,-33.64,;30.26,-35.18,;28.93,-32.87,;28.93,-31.33,;27.59,-30.56,;26.26,-31.33,;26.26,-32.87,;24.92,-33.64,;23.59,-32.87,;22.26,-33.64,;20.92,-32.87,;19.59,-33.64,;19.59,-35.18,;18.26,-32.87,;18.26,-31.33,;16.92,-30.56,;16.92,-29.02,;18.26,-28.25,;19.59,-29.02,;19.59,-30.56,;16.92,-33.64,;15.59,-32.87,;14.26,-33.64,;14.26,-35.18,;12.92,-35.95,;15.59,-35.95,;15.59,-37.49,;16.92,-35.18,;23.59,-31.33,;24.92,-30.56,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(31.35,-32.86,;30.02,-33.63,;30.02,-35.17,;28.69,-32.86,;28.69,-31.32,;27.35,-30.55,;26.02,-31.32,;26.02,-32.86,;24.69,-33.63,;23.35,-32.86,;22.02,-33.63,;20.68,-32.86,;19.35,-33.63,;19.35,-35.17,;18.02,-32.86,;18.02,-31.32,;16.68,-30.55,;16.68,-29.01,;18.02,-28.24,;19.35,-29.01,;19.35,-30.55,;16.68,-33.63,;15.35,-32.86,;14.02,-33.63,;14.02,-35.17,;12.68,-35.94,;15.35,-35.94,;15.35,-37.48,;16.68,-35.17,;23.35,-31.32,;24.69,-30.55,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1 |r,wU:6.5,wD:9.9,(31.35,-32.87,;30.02,-33.64,;30.02,-35.18,;28.69,-32.87,;28.69,-31.33,;27.35,-30.56,;26.02,-31.33,;26.02,-32.87,;24.69,-33.64,;23.35,-32.87,;22.02,-33.64,;20.68,-32.87,;19.35,-33.64,;19.35,-35.18,;18.02,-32.87,;18.02,-31.33,;16.68,-30.56,;16.68,-29.02,;18.02,-28.25,;19.35,-29.02,;19.35,-30.56,;16.68,-33.64,;15.35,-32.87,;14.02,-33.64,;14.02,-35.18,;12.68,-35.95,;15.35,-35.95,;15.35,-37.49,;16.68,-35.18,;23.35,-31.33,;24.69,-30.56,)|
OS(=O)(=O)CCNC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:15.15,wD:12.11,(32.65,-26.35,;31.1,-26.35,;29.77,-25.58,;31.1,-24.81,;30.34,-27.69,;31.11,-29.02,;30.34,-30.36,;28.8,-30.36,;28.03,-29.02,;28.03,-31.69,;28.8,-33.02,;28.03,-34.36,;26.49,-34.36,;25.72,-33.02,;24.18,-33.02,;23.41,-34.36,;21.87,-34.36,;21.1,-35.69,;19.56,-35.69,;18.79,-34.36,;18.79,-37.02,;19.56,-38.36,;18.79,-39.69,;19.56,-41.02,;21.1,-41.02,;21.87,-39.69,;21.1,-38.36,;17.25,-37.02,;16.48,-35.69,;14.94,-35.69,;14.17,-37.02,;12.63,-37.02,;14.94,-38.36,;16.48,-38.36,;24.18,-35.69,;25.72,-35.69,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(O)cc2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(31.69,-34.44,;30.36,-35.21,;30.36,-36.75,;29.02,-34.44,;29.02,-32.9,;27.69,-32.13,;26.36,-32.9,;26.36,-34.44,;25.02,-35.21,;23.69,-34.44,;22.36,-35.21,;21.02,-34.44,;19.69,-35.21,;19.69,-36.75,;18.35,-34.44,;17.02,-35.21,;17.02,-36.75,;15.69,-37.52,;14.35,-36.75,;13.02,-37.52,;14.35,-35.21,;15.69,-34.44,;18.35,-32.9,;17.02,-32.13,;17.02,-30.59,;18.35,-29.82,;18.35,-28.28,;19.69,-30.59,;19.69,-32.13,;23.69,-32.9,;25.02,-32.13,)|
Oc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(=O)NCCS(O)(=O)=O)CC1)c1ccc(Cl)cc1 |r,wU:12.12,wD:15.16,(53.52,-16.94,;54.86,-17.71,;56.19,-16.93,;57.52,-17.7,;57.52,-19.24,;56.2,-20.02,;54.87,-19.26,;58.86,-20.01,;60.19,-19.23,;60.18,-17.69,;61.52,-20,;62.86,-19.22,;64.19,-19.99,;65.52,-19.21,;66.85,-19.99,;66.85,-21.53,;68.18,-22.3,;69.52,-21.53,;70.85,-22.31,;72.18,-21.54,;72.19,-20,;73.52,-22.31,;74.85,-21.54,;76.18,-22.31,;77.52,-21.54,;78.85,-22.32,;76.74,-20.2,;78.29,-20.19,;65.52,-22.29,;64.19,-21.53,;58.86,-21.55,;57.53,-22.32,;57.53,-23.86,;58.87,-24.62,;58.87,-26.16,;60.2,-23.84,;60.19,-22.31,)|
OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 |r,wU:9.9,6.5,(30.68,-33.76,;29.35,-34.53,;29.35,-36.07,;28.02,-33.76,;28.02,-32.22,;26.68,-31.45,;25.35,-32.22,;25.35,-33.76,;24.02,-34.53,;22.68,-33.76,;21.35,-34.53,;20.01,-33.76,;18.68,-34.53,;18.68,-36.07,;17.35,-33.76,;16.01,-34.53,;16.01,-36.07,;14.68,-36.84,;13.35,-36.07,;13.35,-34.53,;14.68,-33.76,;17.35,-32.22,;16.01,-31.45,;16.01,-29.91,;17.35,-29.14,;18.68,-29.91,;18.68,-31.45,;22.68,-32.22,;24.02,-31.45,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-11.29,-9.03,;-9.96,-9.8,;-9.96,-11.34,;-8.62,-9.03,;-7.29,-9.8,;-5.96,-9.03,;-4.62,-9.8,;-3.29,-9.03,;-1.96,-9.8,;-1.96,-11.34,;-.62,-12.11,;.71,-11.34,;2.04,-12.11,;2.04,-13.65,;3.38,-11.34,;3.38,-9.8,;2.04,-9.03,;2.04,-7.49,;3.38,-6.72,;4.71,-7.49,;4.71,-9.03,;4.71,-12.11,;6.05,-11.34,;7.38,-12.11,;7.38,-13.65,;8.71,-14.42,;6.05,-14.42,;4.71,-13.65,;-3.29,-12.11,;-4.62,-11.34,)|
OC(=O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:9.9,6.5,(31.59,-33.64,;30.26,-34.41,;30.26,-35.95,;28.93,-33.64,;28.93,-32.1,;27.59,-31.33,;26.26,-32.1,;26.26,-33.64,;24.92,-34.41,;23.59,-33.64,;22.26,-34.41,;20.92,-33.64,;19.59,-34.41,;19.59,-35.95,;18.26,-33.64,;18.26,-32.1,;16.92,-31.33,;16.92,-29.79,;18.26,-29.02,;19.59,-29.79,;19.59,-31.33,;16.92,-34.41,;16.92,-35.95,;15.59,-36.72,;14.26,-35.95,;12.92,-36.72,;14.26,-34.41,;15.59,-33.64,;23.59,-32.1,;24.92,-31.33,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(30.69,-33.67,;29.35,-34.44,;29.35,-35.98,;28.02,-33.67,;28.02,-32.13,;26.69,-31.36,;25.35,-32.13,;25.35,-33.67,;24.02,-34.44,;22.69,-33.67,;21.35,-34.44,;20.02,-33.67,;18.68,-34.44,;18.68,-35.98,;17.35,-33.67,;17.35,-32.13,;16.02,-31.36,;16.02,-29.82,;17.35,-29.05,;17.35,-27.51,;18.68,-29.82,;18.68,-31.36,;16.02,-34.44,;14.68,-33.67,;13.35,-34.44,;13.35,-35.98,;14.68,-36.75,;14.68,-38.29,;16.02,-35.98,;22.69,-32.13,;24.02,-31.36,)|
CC(C)N(CCCCOCC(O)=O)c1cnc(-c2ccccc2)c(n1)-c1ccccc1
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(Cl)cc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(30.68,-33.67,;29.35,-34.44,;29.35,-35.98,;28.02,-33.67,;28.02,-32.13,;26.68,-31.36,;25.35,-32.13,;25.35,-33.67,;24.02,-34.44,;22.68,-33.67,;21.35,-34.44,;20.01,-33.67,;18.68,-34.44,;18.68,-35.98,;17.35,-33.67,;17.35,-32.13,;16.01,-31.36,;16.01,-29.82,;17.35,-29.05,;17.35,-27.51,;18.68,-29.82,;18.68,-31.36,;16.01,-34.44,;14.68,-33.67,;13.35,-34.44,;13.35,-35.98,;14.68,-36.75,;14.68,-38.29,;16.01,-35.98,;22.68,-32.13,;24.02,-31.36,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r,wU:6.5,wD:9.9,(31.35,-34.44,;30.02,-35.21,;30.02,-36.75,;28.68,-34.44,;28.68,-32.9,;27.35,-32.13,;26.02,-32.9,;26.02,-34.44,;24.68,-35.21,;23.35,-34.44,;22.01,-35.21,;20.68,-34.44,;19.35,-35.21,;19.35,-36.75,;18.01,-34.44,;16.68,-35.21,;16.68,-36.75,;15.35,-37.52,;14.01,-36.75,;12.68,-37.52,;14.01,-35.21,;15.35,-34.44,;18.01,-32.9,;16.68,-32.13,;16.68,-30.59,;18.01,-29.82,;18.01,-28.28,;19.35,-30.59,;19.35,-32.13,;23.35,-32.9,;24.68,-32.13,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(Cl)c(F)c2)CC1 |r,wU:6.5,wD:9.9,(13.25,-32.89,;14.59,-32.12,;14.59,-30.58,;15.92,-32.89,;15.92,-34.43,;17.26,-35.2,;18.59,-34.43,;18.59,-32.89,;19.92,-32.12,;21.26,-32.89,;22.59,-32.12,;23.92,-32.89,;25.26,-32.12,;25.26,-30.58,;26.59,-32.89,;26.59,-34.43,;25.26,-35.2,;25.26,-36.74,;26.59,-37.51,;27.92,-36.74,;29.26,-37.51,;27.92,-35.2,;27.92,-32.12,;29.26,-32.89,;30.59,-32.12,;30.59,-30.58,;31.93,-29.81,;29.26,-29.81,;29.26,-28.27,;27.92,-30.58,;21.26,-34.43,;19.92,-35.2,)|