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32 SMILES Strings for Isocitrate lyase (ICL)

Compound NameSMILES String
BDBM21690 OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
BDBM50274515 [O-]C(=O)CC[N+]([O-])=O
BDBM50336507 NNC(=O)c1ccncc1
BDBM50351198 [O-][N+](=O)CCC(=O)Nc1ccc(Cl)cc1
BDBM50351199 Cc1cc(NC(=O)CC[N+]([O-])=O)ccc1Br
BDBM50351200 CCN1CCN(CC1)C(=O)CC[N+]([O-])=O
BDBM50351201 [O-][N+](=O)CCC(=O)N1CCN(CC1)c1ccccc1
BDBM50351202 [O-][N+](=O)CCC(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
BDBM50351203 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)CC[N+]([O-])=O
BDBM50351204 OC(=O)c1cn(C2CC2)c2cc(c(F)cc2c1[O-])=[N+]1CCN(CC1)C(=O)CC[N+]([O-])=O |(34.07,-7.8,;32.75,-7.01,;32.77,-5.47,;31.4,-7.76,;31.38,-9.3,;30.04,-10.05,;30.02,-11.59,;29.24,-12.91,;30.78,-12.94,;28.72,-9.27,;27.4,-10.02,;26.06,-9.25,;26.07,-7.72,;24.74,-6.94,;27.4,-6.95,;28.74,-7.73,;30.08,-6.97,;30.09,-5.43,;24.73,-10.02,;24.72,-11.56,;23.38,-12.33,;22.05,-11.54,;22.04,-10,;23.39,-9.23,;20.7,-12.31,;20.7,-13.86,;19.37,-11.54,;18.03,-12.31,;16.69,-11.54,;16.68,-10,;15.34,-12.31,)|
BDBM50351205 CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCN(CC3C)C(=O)CC[N+]([O-])=O)c(F)c12
BDBM50351206 COc1c2n(cc(C(O)=O)c([O-])c2cc(F)c1=[N+]1C(C)CN(CC1C)C(=O)CC[N+]([O-])=O)C1CC1 |(26.56,-22.89,;25.58,-22.34,;25.59,-20.8,;26.92,-20.05,;28.23,-20.83,;29.58,-20.08,;29.6,-18.54,;30.94,-17.79,;32.26,-18.58,;30.96,-16.25,;28.27,-17.75,;28.29,-16.21,;26.94,-18.51,;25.6,-17.73,;24.27,-18.5,;22.94,-17.72,;24.26,-20.03,;22.93,-20.8,;21.59,-20.01,;21.6,-18.47,;20.24,-20.78,;20.24,-22.32,;21.58,-23.11,;22.91,-22.34,;24.24,-23.12,;18.9,-23.09,;18.9,-24.64,;17.57,-22.32,;16.22,-23.09,;14.88,-22.32,;14.88,-20.78,;13.54,-23.09,;28.22,-22.37,;27.43,-23.69,;28.97,-23.72,)|
BDBM50351207 [O-][N+](=O)CCC(=O)Nc1ccc(Br)cc1
BDBM50440005 CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
BDBM50440006 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|
BDBM50440007 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(O)=O |r|
BDBM50440008 CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
BDBM50440009 CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50440010 CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r|
BDBM50440011 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
BDBM50440012 CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
BDBM50440013 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
BDBM50440014 CSCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:42.44,24.27,8.15,53.55,wD:30.40,18.21,4.4,(44.48,-37.46,;43.15,-36.69,;43.15,-35.15,;41.82,-34.38,;41.82,-32.84,;40.49,-32.07,;39.15,-32.84,;39.15,-34.38,;37.81,-32.07,;37.81,-30.53,;39.15,-29.76,;40.56,-30.4,;41.6,-29.25,;40.83,-27.91,;39.31,-28.23,;36.48,-32.84,;35.15,-32.07,;35.15,-30.53,;33.82,-32.84,;33.82,-34.38,;35.15,-35.15,;32.48,-32.07,;31.14,-32.84,;31.14,-34.38,;29.82,-32.07,;29.82,-30.53,;31.14,-29.76,;28.48,-32.84,;27.15,-32.07,;27.15,-30.53,;25.81,-32.84,;25.81,-34.38,;27.15,-35.15,;28.48,-34.38,;29.82,-35.15,;29.82,-36.7,;31.15,-37.47,;28.48,-37.47,;27.15,-36.7,;24.48,-32.07,;23.15,-32.84,;23.15,-34.38,;21.81,-32.07,;20.48,-32.84,;21.81,-30.53,;23.15,-29.76,;24.55,-30.4,;25.59,-29.25,;24.81,-27.91,;23.31,-28.23,;43.15,-32.07,;43.15,-30.53,;44.48,-32.84,;45.82,-32.07,;45.82,-30.53,;47.15,-29.76,;47.15,-28.22,;48.49,-27.45,;48.49,-25.91,;47.15,-25.14,;49.82,-25.14,;47.15,-32.84,;48.49,-32.07,;47.15,-34.38,)|
BDBM50440015 [#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
BDBM50440016 C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(O)=O |r|
BDBM200235 CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C(O)c2c(O)c3C |wU:45.47,41.43,37.39,43.45,35.37,6.6,wD:2.1,39.41,50.53,c:33,t:3,35,54,(15.1,-5.61,;13.64,-5.11,;13.35,-3.6,;14.73,-2.92,;16.01,-3.78,;17.39,-3.1,;17.5,-1.56,;18.99,-1.94,;18.12,-.17,;16.98,.86,;15.65,.09,;15.97,-1.41,;16.45,-2.87,;14.32,.86,;12.94,.04,;14.28,-.72,;11.54,.83,;10.21,.05,;9.44,1.38,;9.43,2.92,;8.1,3.69,;8.09,5.23,;9.42,6,;9.42,7.54,;10.76,5.24,;10.76,3.7,;11.54,2.43,;10.16,1.76,;9.14,.62,;9.33,-.91,;7.86,1.48,;7.43,2.96,;6.47,.8,;6.37,-.73,;4.99,-1.41,;4.49,-2.87,;3.08,-2.24,;5.5,-4.03,;4.48,-5.18,;7.04,-4.13,;6.8,-5.65,;7.9,-2.85,;7.67,-1.33,;9.41,-2.56,;10.9,-2.2,;10.69,-3.42,;10.98,-4.93,;10.48,-6.38,;11.5,-7.54,;8.97,-6.68,;12.07,-2.74,;13.58,-2.44,;12.94,3.22,;12.96,4.76,;14.32,2.4,;15.65,3.17,;15.65,4.71,;16.98,2.4,;18.32,3.17,)|
BDBM233187 [O-][N+](=O)C1C(NC(=O)NC1=O)C(=O)Nc1ccc(Cl)cc1
BDBM233188 [O-][N+](=O)C1C(NC(=O)NC1=O)C(=O)Nc1ccc(Br)cn1
BDBM233189 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)C1NC(=O)NC(=O)C1[N+]([O-])=O
BDBM233190 OC(=O)c1cn(C2CC2)c2cc(N3CCN(CC3)C(=O)C3NC(=O)NC(=O)C3[N+]([O-])=O)c(F)cc2c1=O
BDBM233191 CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CC(C)N(C(C)C3)C(=O)C3NC(=O)NC(=O)C3[N+]([O-])=O)c(F)c12
BDBM233192 COc1c(N2CCN(C(C)C2)C(=O)C2NC(=O)NC(=O)C2[N+]([O-])=O)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1