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228 SMILES Strings for Neuraminidase

Compound NameSMILES String
BDBM4706 CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
BDBM4945 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1 |r,c:3|
BDBM5024 [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
BDBM5025 [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
BDBM4994 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM7462 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM50009296 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)CO |r,c:3|
BDBM76798 CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
BDBM139226 CC(=O)N[C@H]1CS(=O)(=O)C2[C@H](C[C@@H](NC(N)=N)C12)C(O)=O |r|
BDBM139224 CC(=O)N[C@H]1CC[C@@H]2[C@H](C[C@@H](N\C(NC(=O)OCc3ccccc3)=N\C(=O)OCc3ccccc3)[C@H]12)O[Si](C)(C)C(C)(C)C |r|
BDBM139223 CC(=O)N[C@H]1CS(=O)(=O)[C@@H]2[C@H](C[C@@H](NC(N)=N)[C@H]12)C(O)=O |r|
BDBM139222 CC(=O)N[C@H]1CS(=O)(=O)[C@@H]2[C@H](C[C@@H](N)[C@H]12)C(O)=O |r|
BDBM50033722 [#6]-[#6](-[#6])-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:7.7|
BDBM50033731 CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|
BDBM50033737 [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50033741 [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](-[#6])=O)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50063303 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
BDBM50067040 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
BDBM50078329 CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(O)=O
BDBM50200395 [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-[#6]C([#6])([#6])[#8])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
BDBM50203126 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
BDBM50217942 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50226670 COc1cc-2c(CC[n+]3cc4c(OC)c(OC)ccc4cc-23)cc1O
BDBM50241052 Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
BDBM50241242 OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50241354 OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50241367 OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r|
BDBM50293815 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N=C(N)N)C(O)=O)[C@H](OC(=O)NCc1cn(CCOCOc2ccc(cc2)-c2c3ccc(n3)c(-c3ccc(OCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@@H]5OC(=C[C@H](N=C(N)N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc([nH]3)c(-c3ccc(OCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@@H]5OC(=C[C@H](N=C(N)N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc(n3)c(-c3ccc(OCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@@H]5OC(=C[C@H](N=C(N)N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc2[nH]3)nn1)[C@H](O)CO |r,wU:124.132,61.63,66.69,17.18,5.5,9.10,160.171,173.185,70.73,62.65,wD:115.122,75.79,192.209,4.3,159.169,164.175,110.116,119.126,111.118,168.179,c:7,71,124,177,(3.78,-18.61,;2.47,-19.43,;2.52,-20.97,;1.11,-18.7,;-.19,-19.51,;-1.55,-18.78,;-2.86,-19.58,;-2.82,-21.13,;-1.45,-21.85,;-.14,-21.05,;1.21,-21.77,;1.26,-23.31,;2.62,-24.05,;-.04,-24.12,;-4.12,-21.94,;-4.07,-23.47,;-5.48,-21.2,;-1.58,-17.24,;-.27,-16.44,;-.32,-14.9,;-1.67,-14.16,;1,-14.11,;.94,-12.57,;2.26,-11.76,;3.55,-12.6,;4.74,-11.63,;6.2,-12.14,;7.36,-11.14,;8.82,-11.65,;9.99,-10.65,;11.44,-11.17,;12.64,-10.14,;12.31,-8.63,;13.44,-7.59,;14.91,-8.05,;15.25,-9.55,;14.12,-10.6,;16.05,-7.01,;15.71,-5.51,;14.29,-4.9,;14.44,-3.36,;15.94,-3.03,;16.72,-4.36,;16.33,-1.54,;15.21,-.47,;15.59,1.02,;14.48,2.09,;13.01,1.67,;11.89,2.73,;10.41,2.3,;9.31,3.37,;7.83,2.94,;6.71,4,;5.24,3.57,;3.98,2.68,;2.75,3.6,;1.27,3.14,;1.05,1.62,;-.27,.83,;-1.62,1.58,;-.25,-.71,;-1.57,-1.5,;-2.91,-.75,;-2.93,.78,;-4.24,-1.55,;-5.57,-.8,;-1.54,-3.04,;-2.87,-3.81,;-2.87,-5.34,;-1.54,-6.11,;-.21,-5.34,;1.13,-6.11,;1.12,-7.65,;2.46,-8.43,;-.21,-8.43,;-.21,-3.79,;1.12,-3.02,;2.46,-3.78,;3.79,-3.01,;2.47,-5.32,;-4.19,-6.11,;-4.21,-7.65,;-5.54,-5.34,;3.24,5.06,;4.78,5.04,;12.64,.16,;13.74,-.9,;17.8,-1.1,;18.31,.35,;19.85,.31,;20.28,-1.16,;19.02,-2.04,;21.76,-1.6,;22.87,-.52,;24.35,-.95,;25.44,.12,;25.07,1.62,;26.22,2.64,;27.69,2.15,;28.83,3.17,;30.29,2.68,;31.45,3.7,;32.91,3.21,;34.17,2.34,;35.4,3.28,;36.87,2.84,;37.14,1.33,;38.59,.81,;39.77,1.79,;38.87,-.71,;40.31,-1.24,;41.64,-.48,;41.66,1.06,;42.98,-1.25,;44.32,-.49,;40.32,-2.78,;41.67,-3.53,;41.67,-5.07,;40.34,-5.86,;39.01,-5.09,;37.66,-5.83,;37.6,-7.37,;36.25,-8.11,;38.91,-8.18,;39,-3.56,;37.63,-2.84,;36.33,-3.67,;34.97,-2.95,;36.39,-5.21,;43.17,-5.46,;43.57,-6.96,;44.25,-4.37,;34.88,4.73,;33.34,4.69,;23.58,2.03,;22.48,.96,;22.17,-3.09,;23.61,-3.63,;23.53,-5.17,;22.04,-5.57,;21.2,-4.29,;21.49,-7.01,;22.53,-8.14,;22.07,-9.62,;23.11,-10.75,;24.62,-10.4,;25.66,-11.53,;27.16,-11.19,;28.21,-12.32,;29.71,-11.98,;30.76,-13.11,;32.26,-12.77,;33.47,-13.72,;34.75,-12.86,;36.07,-13.66,;35.94,-15.19,;37.2,-16.07,;38.59,-15.43,;37.21,-17.61,;38.55,-18.38,;39.88,-17.6,;41.21,-18.37,;39.86,-16.06,;41.2,-15.29,;38.56,-19.92,;39.9,-20.67,;39.9,-22.22,;38.58,-22.99,;37.24,-22.23,;35.92,-23.01,;35.92,-24.55,;34.6,-25.34,;37.26,-25.32,;37.23,-20.7,;35.9,-19.93,;34.57,-20.71,;33.23,-19.94,;34.58,-22.25,;41.25,-22.98,;41.26,-24.53,;42.58,-22.2,;34.33,-11.38,;32.79,-11.32,;25.07,-8.92,;24.02,-7.8,;20.01,-7.45,;19.54,-8.92,;18,-8.94,;17.52,-7.48,;18.75,-6.56,;4.2,-10.19,;2.65,-10.27,;-2.94,-16.51,;-4.25,-17.32,;-2.98,-14.97,;-4.33,-14.25,)|
BDBM50293816 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N=C(N)N)C(O)=O)[C@H](OC(=O)NCc1cn(CCOCCOCCOCCNC(=O)COc2ccc(cc2)-c2c3ccc(n3)c(-c3ccc(OCC(=O)NCCOCCOCCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@@H]5OC(=C[C@H](N=C(N)N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc([nH]3)c(-c3ccc(OCC(=O)NCCOCCOCCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@@H]5OC(=C[C@H](N=C(N)N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc(n3)c(-c3ccc(OCC(=O)NCCOCCOCCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@@H]5OC(=C[C@H](N=C(N)N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc2[nH]3)nn1)[C@H](O)CO |r,wU:204.215,217.229,157.165,17.18,5.5,9.10,83.85,88.91,92.95,84.87,wD:203.213,208.219,212.223,143.149,144.151,148.155,152.159,4.3,236.253,97.101,c:7,93,157,221,(-14.71,-25.22,;-16.08,-25.94,;-16.15,-27.46,;-17.38,-25.11,;-18.74,-25.82,;-20.03,-24.99,;-21.4,-25.69,;-21.47,-27.23,;-20.17,-28.06,;-18.81,-27.35,;-17.52,-28.18,;-17.57,-29.72,;-16.29,-30.56,;-18.96,-30.45,;-22.85,-27.94,;-22.93,-29.49,;-24.14,-27.12,;-19.96,-23.46,;-18.6,-22.75,;-18.52,-21.21,;-19.81,-20.37,;-17.14,-20.5,;-17.07,-18.97,;-15.71,-18.26,;-14.48,-19.19,;-13.2,-18.31,;-11.66,-18.35,;-10.93,-19.7,;-9.39,-19.75,;-8.65,-21.09,;-7.12,-21.12,;-6.37,-22.48,;-4.83,-22.52,;-4.09,-23.87,;-2.55,-23.9,;-1.82,-25.25,;-.28,-25.29,;.45,-26.64,;1.99,-26.67,;2.79,-25.35,;2.74,-28.02,;4.28,-28.05,;5.49,-27.03,;5.16,-25.51,;6.3,-24.47,;7.77,-24.94,;8.1,-26.43,;6.97,-27.48,;8.9,-23.9,;8.56,-22.4,;7.14,-21.78,;7.29,-20.25,;8.8,-19.92,;9.57,-21.25,;9.17,-18.42,;8.06,-17.36,;8.45,-15.86,;7.34,-14.8,;5.85,-15.22,;4.75,-14.16,;3.27,-14.58,;2.16,-13.51,;.89,-14.38,;2.12,-11.97,;.76,-11.23,;.73,-9.69,;-.62,-8.97,;-.67,-7.42,;-2.02,-6.69,;-2.06,-5.15,;-3.42,-4.41,;-3.45,-2.87,;-4.8,-2.14,;-4.84,-.6,;-6.2,.14,;-6.25,1.69,;-7.59,2.43,;-7.29,3.93,;-8.34,5.06,;-9.84,4.73,;-11.05,5.67,;-10.85,7.2,;-12.48,5.09,;-13.7,6.02,;-13.49,7.55,;-12.09,8.13,;-14.73,8.52,;-14.53,10.01,;-15.12,5.44,;-16.29,6.47,;-17.73,5.97,;-18.03,4.45,;-16.89,3.44,;-17.2,1.94,;-18.66,1.47,;-18.98,-.06,;-19.83,2.46,;-15.41,3.93,;-14.25,2.92,;-14.56,1.4,;-13.4,.39,;-16.03,.91,;-18.88,7,;-20.37,6.5,;-18.58,8.51,;-5.77,4.13,;-5.12,2.72,;5.49,-16.72,;6.59,-17.79,;10.65,-17.98,;11.16,-16.53,;12.7,-16.58,;13.14,-18.04,;11.88,-18.92,;14.61,-18.48,;15.72,-17.41,;17.19,-17.84,;18.29,-16.76,;17.92,-15.27,;19.07,-14.24,;19.95,-12.99,;21.48,-13.13,;22.15,-14.53,;22.39,-11.89,;23.92,-12.04,;24.82,-10.8,;26.36,-10.95,;27.26,-9.7,;28.78,-9.86,;29.69,-8.61,;31.22,-8.77,;32.12,-7.52,;33.66,-7.67,;34.56,-6.42,;36.09,-6.58,;36.99,-5.33,;38.44,-5.84,;39.38,-4.61,;40.91,-4.64,;41.65,-5.99,;43.19,-6.01,;43.99,-4.69,;43.93,-7.36,;45.46,-7.39,;46.39,-6.16,;45.78,-4.74,;47.92,-6.34,;48.84,-5.11,;46.11,-8.8,;47.64,-8.79,;48.4,-10.13,;47.62,-11.47,;46.08,-11.45,;45.17,-12.7,;45.79,-14.1,;44.87,-15.34,;47.32,-14.28,;45.32,-10.11,;43.78,-10.15,;43.04,-11.5,;41.51,-11.54,;43.85,-12.82,;49.89,-9.73,;50.98,-10.81,;50.28,-8.24,;38.5,-3.34,;37.02,-3.78,;16.42,-14.85,;15.33,-15.93,;15.02,-19.97,;16.45,-20.52,;16.38,-22.06,;14.88,-22.46,;14.05,-21.16,;14.34,-23.9,;15.38,-25.03,;14.91,-26.5,;15.96,-27.63,;17.47,-27.28,;18.5,-28.42,;19.99,-28.78,;21.07,-27.68,;20.65,-26.2,;22.56,-28.07,;23.84,-27.21,;25.23,-27.9,;26.51,-27.05,;27.89,-27.74,;29.17,-26.89,;30.55,-27.58,;31.83,-26.73,;33.21,-27.42,;34.49,-26.57,;35.88,-27.25,;37.16,-26.41,;38.53,-27.1,;38.69,-28.64,;40.21,-28.95,;40.57,-30.44,;39.37,-31.42,;39.62,-32.94,;41.06,-33.49,;38.42,-33.92,;38.68,-35.44,;40.12,-35.98,;40.37,-37.5,;41.31,-35.01,;42.75,-35.56,;37.57,-36.52,;37.96,-38.01,;36.86,-39.08,;35.38,-38.66,;35,-37.17,;33.52,-36.76,;32.4,-37.82,;30.92,-37.42,;32.78,-39.33,;36.1,-36.1,;35.73,-34.61,;34.25,-34.18,;33.87,-32.69,;33.14,-35.26,;37.24,-40.57,;36.13,-41.66,;38.72,-41,;40.98,-27.61,;39.93,-26.47,;17.92,-25.81,;16.87,-24.68,;12.86,-24.34,;12.39,-25.81,;10.85,-25.83,;10.37,-24.37,;11.61,-23.44,;-13.65,-16.84,;-15.19,-16.8,;-21.26,-22.62,;-22.62,-23.33,;-21.19,-21.09,;-22.49,-20.25,)|
BDBM50292332 COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC
BDBM50295348 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCC[Si](CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCC[Si](CCC[Si](CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCC[Si](CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCC[Si](CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O |r|
BDBM50295349 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCC[Si](C)(C)CCC[Si](CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O |r|
BDBM50295350 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCOCCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCC[Si](CCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCOCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O |r|
BDBM50295343 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCOCCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCC[Si](C)(C)CCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O |r|
BDBM50295344 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O |r|
BDBM50295345 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCOCCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O |r|
BDBM50295346 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)c1ccccc1)C(O)=O |r|
BDBM50295347 CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCOCCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)c1ccccc1)C(O)=O |r|
BDBM50320763 CC(=O)N[C@@H]1[C@@H](NCCCCC(O)=O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:14|
BDBM50320764 CC(=O)N[C@@H]1[C@@H](NCCCC(O)=O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:13|
BDBM50320765 CC(=O)N[C@@H]1[C@@H](NCCCCN)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:12|
BDBM50320766 CC(=O)N[C@@H]1[C@@H](NCCCN)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:11|
BDBM50320767 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCC(=O)N1CCCCC1)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
BDBM50320768 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCC(=O)N1CCOCC1)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
BDBM50320769 CN1CCN(CC1)C(=O)CCCN([C@H]1C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O)C(O)=O)C(N)=N |r,c:15|
BDBM50320770 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCC(=O)N1CCNCC1)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
BDBM50320771 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCC(O)=O)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
BDBM50320772 CC(=O)N[C@H]1C(OC(=C[C@@H]1N(CCCCN)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
BDBM50320773 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCN)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
BDBM50320774 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)NCCCCN |r,w:20.21,c:6|
BDBM50320775 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)NCCCN |r,w:20.21,c:6|
BDBM50320776 [#6]-[#6](=O)-[#7]-[#6@H]-1-[#6@@H](-[#8]-[#6](=[#6]-[#6@@H]-1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1)-[#6](-[#8])=O)-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:7|
BDBM50330326 [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
BDBM50352808 COC(CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O)OC
BDBM50352809 [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50352810 COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1CC(O)C(C)=C
BDBM50352811 [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50352812 COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1C\C=C(/C)CCC(O)C(C)=C
BDBM50359306 N[C@H]1CC[C@](O)(C1)C(O)=O |r|
BDBM50359307 [#7]\[#6](-[#7])=[#7]\[#6@H]-1-[#6]-[#6][C@]([#8])([#6]1)[#6](-[#8])=O |r|
BDBM50359308 CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](N)C[C@@H]([C@H]1O)C(O)=O |r|
BDBM50360450 CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r|
BDBM50360451 OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O |r|
BDBM50360452 CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)CCCCCNC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r|
BDBM50363755 [#6]\[#6](-[#6])=[#6]\[#6]=[#6]-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:5.5|
BDBM50363752 [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#8]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-c1coc(c1)-c1cc(-[#8])ccc1-[#8]
BDBM50363753 [#6]\[#6](-[#6])=[#6]\[#6]-[#6](-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-c1coc(c1)-c1cc(-[#8])ccc1-[#8]
BDBM50363754 [#6]-[#6](-[#6])-[#6](=O)-[#8]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-c1coc(c1)-c1cc(-[#8])ccc1-[#8]
BDBM50009295 O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
BDBM50401398 CCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:6|
BDBM50401399 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(O)=O |r,c:7|
BDBM50401400 [#6]-[#6]-[#8]P([#8])(=O)[#6]-1=[#6]-[#6@@H](-[#8]-[#6](-[#6]-[#6])-[#6]-[#6])-[#6@H](-[#7]-[#6](-[#6])=O)-[#6@H](-[#6]-1)\[#7]=[#6](\[#7])-[#7] |r,t:6|
BDBM50401401 [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)P([#8])([#8])=O |r,c:7|
BDBM50401402 CCOP(=O)(OCC)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:8|
BDBM50428069 CC(=O)N[C@H]1[C@H](CNNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:17|
BDBM50428070 CC(=O)N[C@H]1[C@H](CN(Cc2ccccc2)OCc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:26|
BDBM50428071 CC(=O)N[C@H]1[C@H](CNOCc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:18|
BDBM50428072 CC(=O)N[C@H]1[C@H](CNc2ccc(cc2)-c2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:23|
BDBM50428073 CC(=O)N[C@H]1[C@H](CNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:16|
BDBM50428074 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=[N+]=[N-] |r,c:6|
BDBM50428075 CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNNCc1ccc(cc1)-c1ccccc1)C(O)=O |r,c:7|
BDBM50428076 CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNCc1ccccc1)C(O)=O |r,c:7|
BDBM50428077 CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNc1ccccc1)C(O)=O |r,c:7|
BDBM50428078 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1CNc1ccccc1)C(O)=O |r,c:7|
BDBM50016374 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(=O)OCCCc1ccccc1 |r,c:7|
BDBM50016375 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(=O)OCCCc1c[nH]c2ccccc12 |r,c:7|
BDBM50016376 CCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:8|
BDBM50016377 CCCCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:10|
BDBM50016378 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)P(O)(=O)OCCCc1ccccc1 |r,c:7|
BDBM50016372 CCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:8|
BDBM50016373 CCCCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:10|
BDBM50028482 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NO |r,c:7|
BDBM50028483 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NO |r,c:7|
BDBM50028484 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1cccs1)C(N)=N)C(O)=O |r,c:7|
BDBM50028486 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1ccccc1)C(N)=N)C(O)=O |r,c:7|
BDBM50028487 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1ccc(cc1)C(C)C)C(N)=N)C(O)=O |r,c:7|
BDBM50028488 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1ccccc1OC)C(N)=N)C(O)=O |r,c:7|
BDBM50028490 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1ccc(cc1)-c1ccccc1)C(N)=N)C(O)=O |r,c:7|
BDBM50028496 CCCN([C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O)C(N)=N |r,c:6|
BDBM50028497 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(CC(C)C)C(N)=N)C(O)=O |r,c:7|
BDBM50028498 CCCCCN([C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O)C(N)=N |r,c:8|
BDBM50028500 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(CCC(C)C)C(N)=N)C(O)=O |r,c:7|
BDBM50028501 CCC(CC)CN([C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O)C(N)=N |r,c:9|
BDBM50028502 CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(CCCc1ccccc1)C(N)=N)C(O)=O |r,c:7|
BDBM50028503 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028504 CCC(CC)CN[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM50028505 CCCCN[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028507 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028508 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028509 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2OC)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028512 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2Br)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028513 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2F)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028514 CCC(CC)O[C@@H]1C=C(C[C@H](NC\C=C\c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028516 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028517 CCC(CC)O[C@@H]1C=C(C[C@H](NCCCc2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028518 CCC(CC)O[C@@H]1C=C(C[C@H](NCCCN)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028519 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2OCc2ccco2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028520 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2OCC=C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028521 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028523 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028524 CC(=O)N[C@@H]1[C@@H](O)C(C\C=C\c2ccc(C)cc2)=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:18|
BDBM50028525 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)CSc2cccc3ccccc23)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50037545 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NOC |r,c:7|
BDBM50037546 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NOCc1ccccc1 |r,c:7|
BDBM50037548 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NS(C)(=O)=O |r,c:7|
BDBM50037549 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NS(=O)(=O)C(F)(F)F |r,c:7|
BDBM50037550 CCCCS(=O)(=O)NC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:10|
BDBM50037551 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NS(=O)(=O)c1ccccc1 |r,c:7|
BDBM50037552 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NS(C)(=O)=O |r,c:7|
BDBM50037553 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NS(=O)(=O)C(F)(F)F |r,c:7|
BDBM50037554 CCCCS(=O)(=O)NC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:10|
BDBM50037555 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NS(=O)(=O)c1ccccc1 |r,c:7|
BDBM50037556 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NOC |r,c:7|
BDBM50037587 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NOCc1ccccc1 |r,c:7|
BDBM50028499 CCCCN([C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O)C(N)=N |r,c:7|
BDBM50028510 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2O)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028511 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2Cl)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028522 CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2-c2ccccc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50028506 CCC(CC)O[C@@H]1C=C(C[C@H](NCC(C)C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM50037547 CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NOCCCc1cc2ccccc2[nH]1 |r,c:7|
BDBM50037601 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NOCCCc1cc2ccccc2[nH]1 |r,c:7|
BDBM50030257 C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4-c3cc2O1
BDBM50030259 C1Oc2cc3CC[n+]4cc5cc6OCOc6cc5cc4-c3cc2O1
BDBM50030260 COc1cc2CC[n+]3cc4cc(OC)c(OC)cc4c(C)c3-c2cc1OC
BDBM50030258 COc1cc-2c(CC[n+]3cc4c(OC)c(OC)ccc4c(C)c-23)cc1O
BDBM50056315 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
BDBM50143051 [H][C@]12OC[C@@H](O[C@]1([H])[C@@H](OC(=O)[C@H](N)CCSC)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143052 [H][C@]12OC[C@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143053 [H][C@]12OC[C@@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143054 [H][C@]12OC[C@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1ccc(O)cc1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143055 [H][C@]12OC[C@@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1ccc(O)cc1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143056 [H][C@]12OC[C@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1cccc(OC)c1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143058 [H][C@]12OC[C@@H](O[C@]1([H])[C@@H](OC(=O)\C=C\c1cccc(OC)c1)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50143048 [H][C@@]1(O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@@]3([H])OC[C@@H](O[C@]23[H])c2ccc(O)c(O)c2)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|
BDBM50143049 [H][C@@]1(O[C@H]2[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](CO)O[C@@]3([H])OC[C@@H](O[C@]23[H])c2ccc(O)c(O)c2)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|
BDBM50143050 [H][C@]12OC[C@H](O[C@]1([H])[C@@H](OC(=O)[C@H](N)CCSC)[C@H](O)[C@@H](CO)O2)c1ccccc1 |r|
BDBM50182216 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
BDBM50176814 OC(=O)c1ccccc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)o1 |c:19|
BDBM50176806 OC(=O)c1ccc(Cl)cc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)o1 |c:20|
BDBM50176807 OC(=O)c1ccc(Cl)cc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(F)cc2)o1 |c:20|
BDBM50181437 [H][C@]1(C=C(C[C@H]1NC(N)=N)P(O)(=O)OCCCCCC)[C@@H](NC(C)=O)C(CC)CC |r,c:2|
BDBM50181438 [H][C@]1(C[C@H](C[C@H]1NC(N)=N)P(O)(O)=O)[C@@H](NC(C)=O)C(CC)CC |r|
BDBM50181444 [H][C@]1(C=C(C[C@H]1NC(N)=N)P(O)(O)=O)[C@@H](NC(C)=O)C(CC)CC |r,c:2|
BDBM50182248 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)C1CC1 |r,c:9|
BDBM50182249 OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
BDBM50181439 [H][C@]1(C[C@H](C[C@H]1NC(N)=N)P(O)(=O)OCC)[C@@H](NC(C)=O)C(CC)CC |r|
BDBM50181440 [H][C@]1(C[C@H](C[C@H]1NC(N)=N)P(O)(=O)OCCCCCC)[C@@H](NC(C)=O)C(CC)CC |r|
BDBM50181447 [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)P(O)(=O)OCCCCCC |r|
BDBM50181441 [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O |r|
BDBM50181442 [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)P(O)(O)=O |r|
BDBM50181445 [H][C@]1(C=C(C[C@H]1NC(N)=N)P(O)(=O)OCC)[C@@H](NC(C)=O)C(CC)CC |r,c:2|
BDBM50181446 [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)P(O)(=O)OCC |r|
BDBM50206321 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccccc2N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206331 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(Cl)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206332 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(F)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206325 CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)CCn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:27|
BDBM50206326 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)C2CCCCC2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206328 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccccc2OC)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206329 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(Cl)c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206330 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(OC)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206333 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)CSc2ccc3ccccc3c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206335 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc3cc(OC)ccc3c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206355 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(N)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206356 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(C)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206357 CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)CCCn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:28|
BDBM50206358 CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)CCCCn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:29|
BDBM50206359 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(c2)C(=O)OCC)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206322 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(N)c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206323 CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:26|
BDBM50206324 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(F)c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
BDBM50206327 [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)C2=CCCCC2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3,t:19|
BDBM50219980 [#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6@H](-[#8])-[#6]-[#8])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:14|
BDBM50219981 OC(=O)C(F)(F)F.[H][C@@](N)([C@H](O)CO)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:16|
BDBM50219982 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50219983 [#8]-[#6](=O)C(F)(F)F.[H][C@@]([#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])([#6@H](-[#8])-[#6]-[#8])[C@]1([H])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:25|
BDBM50219984 OC(=O)C(F)(F)F.[H][C@@](N=[N+]=[N-])([C@H](O)CO)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:18|
BDBM50219985 [#8]-[#6](=O)C(F)(F)F.[H][C@@]([#7]-[#6](-[#6])=O)([#6@H](-[#8])-[#6]-[#8])[C@]1([H])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:19|
BDBM50219986 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50219987 [#8]-[#6](=O)C(F)(F)F.[H][C@@]([#7]-[#6](=O)-[#6]-[#6])([#6@H](-[#8])-[#6]-[#8])[C@]1([H])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:20|
BDBM50219988 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)C(F)(F)[C@H](O)CO |c:9|
BDBM50219989 [#8]-[#6](=O)C(F)(F)F.[H][C@@]([#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])([#6@H](-[#8])-[#6]-[#8])[C@]1([H])[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:33|
BDBM50219990 OC(=O)C(F)(F)F.[H][C@@](F)([C@H](O)CO)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:16|
BDBM50219991 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OCCN=[N+]=[N-])[C@H](O)CO |c:9|
BDBM50219992 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:9|
BDBM50219993 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OCCO)[C@H](O)CO |c:9|
BDBM50219994 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50219995 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@@H](-[#6]-[#6])-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |c:9|
BDBM50219996 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OCCN)[C@H](O)CO |c:9|
BDBM50219997 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@@H](-[#6]-[#6])-[#8]-[#6]-[#6]-[#6]-[#6]-[#6] |c:9|
BDBM50219998 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OCC1CCCCC1)[C@H](O)CO |c:9|
BDBM50219999 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#6]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50220000 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50220001 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50220002 OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OCCC1CCCCC1)[C@H](O)CO |c:9|
BDBM50220003 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@@H](-[#6]-[#6])-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |c:9|
BDBM50220004 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@@H](-[#6]-[#6])-[#8]-[#6]-[#6]-[#6] |c:9|
BDBM50220005 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@@H](-[#6]-[#6])-[#8]-[#6]-[#6] |c:9|
BDBM50220006 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50220007 [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
BDBM50222706 [H][C@]1(OCC[C@@H](O)[C@H]1O)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13|
BDBM50222708 [H][C@@]1(C[C@@H](O)[C@@H](O)CO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13|
BDBM50222713 [H][C@]1(OC[C@@H](O)[C@H]1O)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:12|
BDBM50222707 [H][C@]1(C[C@H](O)[C@H](O)CO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13|
BDBM50222710 [H][C@]1(OCC(F)(F)[C@@H](O)[C@H]1O)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:15|
BDBM50222711 [H][C@@]1(C[C@H](O)[C@H](O)CO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13|
BDBM50222712 [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@]1([H])OCCC[C@@H](O)[C@H]1O |c:3|
BDBM50222714 [H][C@]1(C[C@@H](O)[C@@H](O)CO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13|
BDBM50222715 [H][C@@]1(CCCCO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:11|