Compound Name

SMILES String

CC(CCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1)NC(C)=O

CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OCc2ccccc2)cc1 |r,wU:10.13,wD:7.6,(38.26,-7.62,;36.93,-8.39,;36.93,-9.93,;35.6,-7.62,;34.26,-8.39,;32.93,-7.62,;31.59,-8.38,;30.26,-7.62,;30.26,-6.08,;28.92,-5.31,;27.6,-6.08,;27.6,-7.62,;28.93,-8.39,;26.26,-5.3,;24.93,-6.09,;23.59,-5.33,;22.27,-6.1,;22.26,-7.64,;20.93,-8.41,;19.6,-7.64,;18.26,-8.41,;16.93,-7.64,;15.59,-8.41,;15.59,-9.95,;16.93,-10.72,;18.26,-9.95,;23.6,-8.41,;24.93,-7.64,)|

CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OC2CCCC2)cc1 |r,wU:10.13,wD:7.6,(11.2,-15.46,;9.86,-16.23,;9.86,-17.77,;8.53,-15.46,;7.2,-16.23,;5.86,-15.46,;4.52,-16.22,;3.19,-15.46,;3.19,-13.92,;1.86,-13.14,;.53,-13.92,;.53,-15.46,;1.86,-16.23,;-.81,-13.14,;-2.14,-13.93,;-3.47,-13.17,;-4.8,-13.94,;-4.8,-15.48,;-6.14,-16.25,;-7.38,-15.33,;-7.36,-13.79,;-8.83,-13.3,;-9.74,-14.54,;-8.85,-15.79,;-3.47,-16.25,;-2.13,-15.48,)|

CC(=O)NCCCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1

CC(CCc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1)NC(C)=O

CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(C)=O)cc2)nc1

CCCOc1ccc(Oc2ccc(CCC(C)NC(C)=O)cc2)nc1

CC(CCc1ccc(Oc2ccc(OCC3CCC3)cn2)cc1)NC(C)=O

CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OCc2ccccc2)cn1 |r,wU:7.6,wD:10.13,(9.36,-9.03,;9.76,-7.54,;11.25,-7.14,;8.67,-6.45,;7.18,-6.85,;6.1,-5.76,;4.61,-6.16,;3.52,-5.07,;2.03,-5.47,;.94,-4.38,;1.34,-2.9,;2.83,-2.5,;3.92,-3.59,;.25,-1.81,;-1.23,-2.21,;-1.63,-3.69,;-3.12,-4.09,;-4.21,-3,;-5.7,-3.4,;-6.79,-2.31,;-8.27,-2.71,;-9.36,-1.62,;-10.85,-2.02,;-11.25,-3.51,;-10.16,-4.6,;-8.67,-4.2,;-3.81,-1.51,;-2.32,-1.12,)|

C[C@@H](CCc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1)NC(C)=O |r|

CC(CCc1ccc(Oc2ccc(OC3CCOC3)cn2)cc1)NC(C)=O

CC(C)Oc1ccc(O[C@H]2CO[C@H](CCCNC(C)=O)OC2)nc1 |r,wU:12.12,wD:9.8,(-9.76,-3.11,;-8.27,-2.71,;-7.88,-1.22,;-7.18,-3.8,;-5.7,-3.4,;-4.61,-4.49,;-3.12,-4.09,;-2.72,-2.6,;-1.23,-2.2,;-.15,-3.29,;-.54,-4.78,;.54,-5.87,;2.03,-5.47,;3.12,-6.56,;4.61,-6.16,;5.7,-7.25,;7.18,-6.85,;8.27,-7.94,;7.88,-9.43,;9.76,-7.54,;2.43,-3.98,;1.34,-2.89,;-3.81,-1.51,;-5.3,-1.91,)|

CC(C)Oc1cnc(O[C@H]2CO[C@H](CCCNC(C)=O)OC2)c(Cl)c1 |r,wU:12.12,wD:9.8,(-9.76,-4,;-8.27,-3.6,;-7.88,-2.11,;-7.18,-4.69,;-5.7,-4.29,;-5.3,-2.81,;-3.81,-2.41,;-2.72,-3.5,;-1.23,-3.1,;-.15,-4.19,;-.54,-5.67,;.54,-6.76,;2.03,-6.36,;3.12,-7.45,;4.61,-7.05,;5.7,-8.14,;7.18,-7.74,;8.27,-8.83,;7.88,-10.32,;9.76,-8.43,;2.43,-4.88,;1.34,-3.79,;-3.12,-4.98,;-2.03,-6.07,;-4.61,-5.38,)|

CC(C)Oc1ccc(Oc2ccc(OCC(C)NC(C)=O)cc2)nc1

CC(C)Oc1ccc(Oc2ccc(OC[C@H](C)NC(C)=O)cc2)nc1 |r|

CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)nc1 |r|

CC(C)Oc1cnc(Oc2ccc(CCC(C)NC(C)=O)cc2)c(Cl)c1

CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(C)=O)cc2)cn1

CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r|

CC(CCc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1)NC(C)=O

CC(CCc1cnc(Oc2ccc(OCc3ccccc3)nc2)nc1)NC(C)=O

CC(C)Oc1ccc(Oc2ccc(OC[C@H](C)NC(C)=O)cn2)cc1 |r|

CC(C)Oc1ncc(Oc2ccc(CCC(C)NC(C)=O)cc2)cn1

CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(=O)C3CC3)cc2)cn1

CC(C)Oc1ccc(Oc2ccc(CCC(C)NC=O)cc2)cn1

COC(=O)NC(C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1

CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(N)=O)cc2)cn1

CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(=O)CO)cc2)cn1

CC(C)Oc1cnc(Oc2ccc(CCC(C)NC(C)=O)cc2)cn1

CC(CCc1ccc(Oc2ccc(OCC3CC3)nc2)cc1)NC(C)=O

CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1 |r|

CC(C)Oc1ccc(OC2CCC(CCC(C)NC(C)=O)CC2)cn1 |(-10,-.77,;-8.67,,;-8.67,1.54,;-7.34,-.77,;-6,,;-6,1.54,;-4.67,2.31,;-3.33,1.54,;-2,2.31,;-.67,1.54,;-.67,,;.67,-.77,;2,,;3.33,-.77,;4.67,,;6,-.77,;6,-2.31,;7.34,,;8.67,-.77,;8.67,-2.31,;10,,;2,1.54,;.67,2.31,;-3.33,,;-4.67,-.77,)|

CC(C)Oc1ccc(Oc2ccc(OC[C@H](C)NC(C)=O)cc2)cc1 |r|