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130 SMILES Strings for Lactate dehydrogenase B (LDHB)

Compound NameSMILES String
BDBM11273 COc1cccc(c1)-c1nc(SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1C#N
BDBM23222 NC(=O)C(O)=O
BDBM23223 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
BDBM23232 OC(=O)c1no[nH]c1=O
BDBM23234 Nc1nonc1C(O)=O
BDBM23235 OCCNc1nonc1C(O)=O
BDBM23236 OC(=O)c1cnon1
BDBM23237 OC(=O)Cc1no[nH]c1=O
BDBM23238 Clc1ccc(COC(=O)c2no[nH]c2=O)cc1Cl
BDBM23239 CCOC(=O)c1no[nH]c1=O
BDBM23240 OC(=O)c1nonc1OC\C=C\c1ccccc1
BDBM23241 CCOC(=O)c1nonc1OCc1ccc(OC)cc1
BDBM23242 OC(=O)c1co[nH]c1=O
BDBM23243 OC(=O)c1nocc1O
BDBM23244 Cc1o[nH]c(=O)c1C(O)=O
BDBM23245 Cn1occ(C(O)=O)c1=O
BDBM23246 COc1nocc1C(O)=O
BDBM23247 CCOC(=O)c1co[nH]c1=O
BDBM23248 COC(=O)c1c(C)[nH]oc1=O
BDBM23249 CCOC(=O)c1c[nH]oc1=O
BDBM23250 OC(=O)c1noc(C(O)=O)c1O
BDBM23251 OC(=O)c1ns[nH]c1=O
BDBM23252 Nc1nsnc1C(O)=O
BDBM23253 COc1nsnc1C(O)=O
BDBM23254 Cn1nnc(O)c1C(O)=O
BDBM23255 Cn1nc(C(O)=O)c(=O)[nH]1
BDBM23256 OC(=O)c1c(O)nnn1Cc1ccccc1
BDBM23257 OC(=O)c1nn(Cc2ccccc2)[nH]c1=O
BDBM23258 OC(=O)c1cnn[nH]1
BDBM86114 NC(=O)C1=CN(CCC1)[C@@H]1OC(COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,t:3|
BDBM50010438 CC(C)c1c(O)c(O)c(C#N)c2c(OC(C)=O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(C)=O |(.71,-9.15,;2.04,-8.36,;3.37,-9.15,;2.04,-6.82,;.71,-6.07,;-.65,-6.84,;.71,-4.51,;-.65,-3.72,;2.04,-3.74,;2.04,-2.2,;2.04,-.66,;3.37,-4.51,;4.67,-3.74,;4.67,-2.2,;6,-1.42,;7.33,-2.18,;5.98,.12,;6,-4.51,;6,-6.07,;6,-7.17,;4.67,-6.82,;3.37,-6.07,;8.66,-4.51,;8.66,-6.07,;8.68,-7.17,;9.99,-6.82,;11.29,-6.07,;12.61,-6.82,;12.61,-8.36,;13.96,-9.15,;11.29,-9.15,;13.96,-6.07,;15.31,-6.84,;13.96,-4.51,;15.31,-3.72,;12.61,-3.74,;12.61,-2.2,;12.61,-.66,;11.29,-4.51,;9.99,-3.74,;9.99,-2.2,;8.89,-1.1,;7.4,-1.49,;9.29,.39,)|
BDBM50010444 CCCCC(=O)Oc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(=O)CCCC |(8.66,3.2,;7.33,2.42,;7.33,.88,;6,.11,;6,-1.43,;7.33,-2.2,;4.67,-2.2,;4.67,-3.74,;6,-4.51,;6,-6.07,;6,-7.17,;4.67,-6.82,;3.37,-6.07,;2.04,-6.82,;2.04,-8.36,;.71,-9.15,;3.37,-9.15,;.71,-6.07,;-.65,-6.84,;.71,-4.51,;-.65,-3.72,;2.04,-3.74,;2.04,-2.2,;2.04,-.66,;3.37,-4.51,;8.66,-4.51,;8.66,-6.07,;8.68,-7.17,;9.99,-6.82,;11.29,-6.07,;12.61,-6.82,;12.61,-8.36,;13.96,-9.15,;11.29,-9.15,;13.96,-6.07,;15.31,-6.84,;13.96,-4.51,;15.31,-3.72,;12.61,-3.74,;12.61,-2.2,;12.61,-.66,;11.29,-4.51,;9.99,-3.74,;9.99,-2.2,;9.2,-.86,;7.66,-.86,;9.97,.48,;9.19,1.81,;9.95,3.14,;9.18,4.47,)|
BDBM50010448 CC(C)c1c(O)c(O)c2C(=N)Oc3c(c(C)cc1c23)-c1c2OC(=N)c3c(O)c(O)c(C(C)C)c(cc1C)c23 |(17.54,-15.98,;16.19,-15.21,;14.86,-15.98,;16.19,-13.65,;17.54,-12.91,;18.85,-13.69,;17.54,-11.35,;18.85,-10.58,;16.19,-10.58,;16.18,-9.03,;17.26,-7.93,;13.55,-9.03,;13.55,-10.58,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;14.86,-11.35,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;5.59,-9.03,;4.5,-7.93,;5.59,-10.58,;4.26,-11.35,;2.92,-10.58,;4.26,-12.91,;2.92,-13.69,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;6.92,-11.35,)|
BDBM50010449 CC(C)c1c(O)c(O)c2C(=O)Oc3c(c(C)cc1c23)-c1c2OC(=O)c3c(O)c(O)c(C(C)C)c(cc1C)c23 |(17.54,-15.98,;16.19,-15.21,;14.86,-15.98,;16.19,-13.65,;17.54,-12.91,;18.85,-13.69,;17.54,-11.35,;18.85,-10.58,;16.19,-10.58,;16.18,-9.03,;17.26,-7.93,;13.55,-9.03,;13.55,-10.58,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;14.86,-11.35,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;5.59,-9.03,;4.5,-7.93,;5.59,-10.58,;4.26,-11.35,;2.92,-10.58,;4.26,-12.91,;2.92,-13.69,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;6.92,-11.35,)|
BDBM50031638 CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
BDBM50066980 Cc1cc2c(C)c(O)c(O)c(C(O)=O)c2cc1C
BDBM50066981 CC(C)c1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
BDBM50066973 CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccc(cc3)C(F)(F)F)c(C)cc12
BDBM50066974 CCCc1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
BDBM50066975 CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
BDBM50066976 Cc1cc2c(C)c(O)c(O)c(C(O)=O)c2cc1Cc1ccccc1
BDBM50066977 CCCc1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
BDBM50066978 Cc1ccc2c(C(O)=O)c(O)c(O)c(C)c2c1
BDBM50066979 CCCc1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
BDBM50433833 CC(C)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
BDBM50433834 Clc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
BDBM50433835 CNS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
BDBM50433836 NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
BDBM50433839 CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50433840 CCC(Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50433841 CC(Sc1nc(-c2ccc(Cl)c(F)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50433842 CC(Sc1nc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50433843 CC(Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50433845 NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1
BDBM50433846 Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1C
BDBM50433847 COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl
BDBM50433848 Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl
BDBM50433849 Fc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl
BDBM50433851 Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1
BDBM50433852 Clc1ccc(cc1)-c1nc(SCC(=O)Nc2cccc(Cl)c2)[nH]c(=O)c1C#N
BDBM50441105 C[C@@H](Nc1nc(c(C)nc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441106 C[C@@H](Nc1nc(cnc1NS(C)(=O)=O)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441107 C[C@@H](Nc1nc(cnc1NC(C)=O)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441108 CNc1ncc(nc1N[C@H](C)c1ccccc1)-c1cccc(c1)C(O)=O |r|
BDBM50441109 C[C@@H](Nc1nc(c[nH]c1=O)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441110 C[C@@H](Nc1cncc(n1)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441111 C[C@@H](Nc1cc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441112 Nc1ncc(nc1NCC1CCCC1)-c1cccc(c1)C(O)=O
BDBM50441113 C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(O)=O)C1CCCCC1 |r|
BDBM50441114 C[C@@H](Oc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441115 C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccc(Cl)cc1 |r|
BDBM50441116 Nc1ncc(nc1NCc1ccccc1)-c1cccc(c1)C(O)=O
BDBM50441117 C[C@@H](Nc1nc(cnc1N)-c1cc(ccc1Cl)C(O)=O)c1ccccc1 |r|
BDBM50441118 COc1ccc(cc1-c1cnc(N)c(N[C@H](C)c2ccccc2)n1)C(O)=O |r|
BDBM50441119 CC(C)c1ccc(cc1-c1cnc(N)c(N[C@H](C)c2ccccc2)n1)C(O)=O |r|
BDBM50441120 C[C@@H](Nc1nc(cnc1N)-c1cc(ccc1C)C(O)=O)c1ccccc1 |r|
BDBM50441121 C[C@@H](Nc1nc(cnc1N)-c1cc(C)cc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441122 C[C@@H](Nc1nc(cnc1N)-c1ccc(C)c(c1)C(O)=O)c1ccccc1 |r|
BDBM50441123 C[C@@H](Nc1nc(cnc1N)-c1cccc(C(O)=O)c1C)c1ccccc1 |r|
BDBM50441124 C[C@@H](Nc1nc(cnc1N)-c1csc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441125 C[C@@H](Nc1nc(cnc1N)-n1cc(cn1)C(O)=O)c1ccccc1 |r|
BDBM50441126 C[C@@H](Nc1nc(cnc1N)-c1ccc(C(O)=O)c(O)c1)c1ccccc1 |r|
BDBM50441127 C[C@@H](Nc1nc(cnc1N)-c1ccc(cc1)C(O)=O)c1ccccc1 |r|
BDBM50441128 C[C@@H](Nc1nc(cnc1N)-c1ccccc1C(O)=O)c1ccccc1 |r|
BDBM50441129 C[C@@H](Nc1nc(cnc1N)-c1ccnc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441130 C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(=O)NS(C)(=O)=O)c1ccccc1 |r|
BDBM50441131 C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(N)=O)c1ccccc1 |r|
BDBM50441132 C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50052331 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(Br)c1Cl |c:1|
BDBM50089927 COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(OC(C)C)c2Cl)c1 |c:9|
BDBM50052399 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Br)cccc1Br |c:1|
BDBM50052400 Cc1cccc(C)c1C1CC(O)=C(Sc2ccccc2Cl)C(=O)C1 |t:12|
BDBM50052402 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1Cl |c:1|
BDBM50052403 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1cccc(Cl)c1 |c:1|
BDBM50052404 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccc(Cl)cc1 |c:1|
BDBM50052405 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F |c:1|
BDBM50052406 Cc1cccc(C)c1C1CC(O)=C(Sc2ccccc2C#N)C(=O)C1 |t:12|
BDBM50052407 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Br)cccc1Br |c:1|
BDBM50052246 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1|
BDBM50052247 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Br |c:1|
BDBM50052248 OC1=C(Sc2ccccc2[N+]([O-])=O)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052249 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052251 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1cccc(Cl)c1 |c:1|
BDBM50052252 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccc(Cl)cc1 |c:1|
BDBM50052254 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1|
BDBM50052257 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(F)cccc1Cl |c:1|
BDBM50052259 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F |c:1|
BDBM50052260 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(F)cccc1F |c:1|
BDBM50052401 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(cccc1C(F)(F)F)C(F)(F)F |c:1|
BDBM50052250 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1Cl |c:1|
BDBM50052253 COc1ccc(cc1)C1CC(O)=C(Sc2ccccc2Cl)C(=O)C1 |t:12|
BDBM50052258 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Br |c:1|
BDBM197158 OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)c1ccccc1 |w:14.17,c:1|
BDBM197159 OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccccc1 |w:14.17,14.23,c:1|
BDBM50040030 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM197160 OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1|
BDBM50139139 CC(C)c1c(O)c(O)c(C(O)=O)c2cc(ccc12)-c1cc2c(C(O)=O)c(O)c(O)c(C(C)C)c2cc1C
BDBM50089923 CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccccc2)c1 |c:13|
BDBM50089924 COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccncc2)c1 |c:9|
BDBM50089925 COc1ccc(C#N)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(OC(C)C)c2Cl)c1 |c:10|
BDBM50089926 CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3C#N)C(=O)C2)c1Cl |t:13|
BDBM50089928 CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3Cl)C(=O)C2)c1Cl |t:13|
BDBM50089929 COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(NC3CCOCC3)c2Cl)c1 |c:9|
BDBM50103568 COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(c4)C(O)=O)c(cnc3c2)S(=O)(=O)NC2CC2)c(OC)n1
BDBM50144743 CC(C)c1c(O)c(O)c(C(O)=O)c2cc(c(C)cc12)-c1ccccc1C
BDBM50144747 Oc1cc2C(=O)Cc3cc(O)c(=O)oc3-c2c(O)c1O
BDBM50144758 COc1ncc(-c2ccc3c(Nc4cc(cc(c4)C(O)=O)C4CCCC4)c(cnc3c2)S(=O)(=O)NC2CC2)c(OC)n1
BDBM50144770 CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccc(Cl)cc3)c(C)cc12
BDBM50144776 CC(C)c1c(O)c(O)c(C(O)=O)c2cc(c(C)cc12)-c1ccc(C)cc1
BDBM50144793 CC(C)c1c(O)c(O)c(C(O)=O)c2cc(c(C)cc12)-c1cccc(C)c1