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  • The 3-letter Ligand ID follows the Chemical Component Dictionary (CCD) used by the PDB database. When availble, the Ligand ID from ChEMBL, DrugBank, and ZINC databases are also listed in the form of CHEMBL*, DB*, and ZINC*, respectively. Click on the Ligand ID to view the ligand at RCSB PDB, ChEMBL, DrugBank or ZINC.
  • Count is the number of BioLiP entries with the ligand. The full statistics is available at lig_frequency.txt. Click Count to search the ligand through BioLiP.
  • If multiple SMILES strings exists for the same ligand, different SMILES are separated by semicolon ";".

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    27601 LQ2
    CHEMBL335258
    ZINC000001494945    		 1 C8 H7 N O3 InChI=1S/C8H7NO3/c9-7(10)
    5-1-3-6(4-2-5)8(11)12/h1-
    4H,(H2,9,10)(H,11,12);
    JMHSCWJIDIKGNZ-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)N)C(=O)O; NC(=O)c1ccc(cc1)
    C(O)=O    		 4-aminocarbonylbenzoic acid
    27602 LQ3 4 C6 H5 F2 N O2 InChI=1S/C6H5F2NO2/c7-6(8
    )11-4-1-2-5(10)9-3-4/h1-4
    ,6H/t4-/m0/s1;
    LTVXNUWMTTYHRL-BYPYZUCNSA-N    		 FC(F)O[C@H]1C=CC(=O)N=C1; O=C1C=CC(OC(F)
    F)C=N1; C1=CC(=O)N=CC1OC(F)F; FC(F)O[CH]
    1C=CC(=O)N=C1    		 (5S)-5-(difluoromethoxy)pyridin-2(5H)-one
    27603 LQ4
    CHEMBL465843
    ZINC000000899053    		 8 C17 H19 N O5 InChI=1S/C17H19NO5/c1-21-
    13-10-12(11-14(22-2)17(13
    )23-3)7-8-16(20)18-9-5-4-
    6-15(18)19/h4,6-8,10-11H,
    5,9H2,1-3H3/b8-7+;
    VABYUUZNAVQNPG-BQYQJAHWSA-N    		 C2C=CC(N(C([C@H]=[C@H]c1cc(OC)c(c(c1)OC)
    OC)=O)C2)=O; COc1cc(cc(c1OC)OC)/C=C/C(=O
    )N2CCC=CC2=O; COc1cc(C=CC(=O)N2CCC=CC2=O
    )cc(OC)c1OC; COc1cc(cc(c1OC)OC)C=CC(=O)N
    2CCC=CC2=O; COc1cc(/C=C/C(=O)N2CCC=CC2=O
    )cc(OC)c1OC    		 piperlongumine;
    1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one
    27604 LQ5
    CHEMBL4472486
    ZINC000139929867    		 2 C24 H26 F3 N7 O2 InChI=1S/C24H26F3N7O2/c1-
    33-10-12-34(13-11-33)15-1
    6-2-3-18(14-20(16)24(25,2
    6)27)31-23(35)30-17-4-6-1
    9(7-5-17)36-21-8-9-29-22(
    28)32-21/h2-9,14H,10-13,1
    5H2,1H3,(H2,28,29,32)(H2,
    30,31,35);
    PWDLXPJQFNVTNL-UHFFFAOYSA-N    		 CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3c
    cc(cc3)Oc4ccnc(n4)N; CN1CCN(CC1)Cc2ccc(N
    C(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F    		 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
    27605 LQ6
    CHEMBL5204987    		 1 C21 H19 Cl2 N5 O4 S InChI=1S/C21H19Cl2N5O4S/c
    22-14-4-3-12(8-15(14)23)2
    8-6-5-27(20(31)16-9-18(29
    )26-21(32)25-16)11-17(28)
    19(30)24-10-13-2-1-7-33-1
    3/h1-4,7-9,17H,5-6,10-11H
    2,(H,24,30)(H2,25,26,29,3
    2)/t17-/m0/s1;
    PBLOKSLGZKWIQI-KRWDZBQOSA-N    		 c1cc(sc1)CNC(=O)C2CN(CCN2c3ccc(c(c3)Cl)C
    l)C(=O)C4=CC(=O)NC(=O)N4; c1cc(sc1)CNC(=
    O)[C@@H]2CN(CCN2c3ccc(c(c3)Cl)Cl)C(=O)C4
    =CC(=O)NC(=O)N4; Clc1ccc(cc1Cl)N2CCN(C[C
    H]2C(=O)NCc3sccc3)C(=O)C4=CC(=O)NC(=O)N4
    ; Clc1ccc(cc1Cl)N2CCN(C[C@H]2C(=O)NCc3sc
    cc3)C(=O)C4=CC(=O)NC(=O)N4    		 (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
    27606 LQ7
    CHEMBL1289953
    ZINC000035076019    		 8 C23 H26 N2 O2 S InChI=1S/C23H26N2O2S/c1-1
    8-7-4-8-19(15-18)17-27-22
    -11-3-2-10-21(22)23(26)25
    (13-6-12-24)16-20-9-5-14-
    28-20/h2-5,7-11,14-15H,6,
    12-13,16-17,24H2,1H3;
    LCQJRANJHOEQFG-UHFFFAOYSA-N    		 C(=O)(c1c(cccc1)OCc2cc(C)ccc2)N(Cc3cccs3
    )CCCN; Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)
    Cc3cccs3; Cc1cccc(COc2ccccc2C(=O)N(CCCN)
    Cc3sccc3)c1    		 N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide
    27607 LQ8
    CHEMBL4636738    		 1 C28 H30 N2 O7 InChI=1S/C28H30N2O7/c31-1
    4-15-37-24-11-5-10-17-18(
    24)12-13-29(25(32)21-8-3-
    4-9-22(21)28(35)36)23(17)
    16-30-26(33)19-6-1-2-7-20
    (19)27(30)34/h1-2,5-7,10-
    11,21-23,31H,3-4,8-9,12-1
    6H2,(H,35,36)/t21-,22+,23
    -/m1/s1;
    OAFSXLXCZSBCHE-XPWALMASSA-N    		 c1ccc2c(c1)C(=O)N(C2=O)CC3c4cccc(c4CCN3C
    (=O)C5CCCCC5C(=O)O)OCCO; OCCOc1cccc2[C@@
    H](CN3C(=O)c4ccccc4C3=O)N(CCc12)C(=O)[C@
    @H]5CCCC[C@@H]5C(O)=O; c1ccc2c(c1)C(=O)N
    (C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5C
    CCC[C@@H]5C(=O)O)OCCO; OCCOc1cccc2[CH](C
    N3C(=O)c4ccccc4C3=O)N(CCc12)C(=O)[CH]5CC
    CC[CH]5C(O)=O    		 (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid
    27608 LQ9
    CHEMBL4788669    		 4 C16 H15 F3 N6 O3 InChI=1S/C16H15F3N6O3/c1-
    8(21-14(26)10-7-11(16(17,
    18)19)23-25(10)2)15-22-13
    (24-28-15)9-4-5-20-12(6-9
    )27-3/h4-8H,1-3H3,(H,21,2
    6)/t8-/m0/s1;
    HBUQPGAOVFRJMM-QMMMGPOBSA-N    		 C[C@@H](c1nc(no1)c2ccnc(c2)OC)NC(=O)c3cc
    (nn3C)C(F)(F)F; CC(c1nc(no1)c2ccnc(c2)OC
    )NC(=O)c3cc(nn3C)C(F)(F)F; COc1cc(ccn1)c
    2noc(n2)[CH](C)NC(=O)c3cc(nn3C)C(F)(F)F;
    COc1cc(ccn1)c2noc(n2)[C@H](C)NC(=O)c3cc
    (nn3C)C(F)(F)F    		 ~{N}-[(1~{S})-1-[3-(2-methoxypyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
    27609 LQA 1 C25 H23 N3 O4 InChI=1S/C25H23N3O4/c1-14
    (2)32-21-5-4-15(8-22(21)2
    9-3)17-10-20-18-11-24-23(
    30-13-31-24)9-16(18)6-7-2
    8(20)25(27)19(17)12-26/h4
    -5,8-11,14,27H,6-7,13H2,1
    -3H3/b27-25-;
    LVLOUZWLCDLTGX-RFBIWTDZSA-N    		 COc1cc(ccc1OC(C)C)C2=C(C#N)C(=N)N3CCc4cc
    5OCOc5cc4C3=C2; [H]/N=C\1/C(=C(C=C2N1CCc
    3c2cc4c(c3)OCO4)c5ccc(c(c5)OC)OC(C)C)C#N
    ; CC(C)Oc1ccc(cc1OC)C2=C(C(=N)N3CCc4cc5c
    (cc4C3=C2)OCO5)C#N    		 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile
    27610 LQB
    CHEMBL5282599
    ZINC000004117518    		 2 C20 H20 N4 O2 InChI=1S/C20H20N4O2/c1-14
    -11-15(2)23(21-14)20-12-1
    8(7-8-19(20)24(25)26)22-1
    0-9-16-5-3-4-6-17(16)13-2
    2/h3-8,11-12H,9-10,13H2,1
    -2H3;
    PNNJMGGZMFGNDB-UHFFFAOYSA-N    		 Cc1cc(n(n1)c2cc(ccc2[N+](=O)[O-])N3CCc4c
    cccc4C3)C; Cc1cc(C)n(n1)c2cc(ccc2[N+]([O
    -])=O)N3CCc4ccccc4C3    		 2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline
    27611 LQD
    CHEMBL4074159
    ZINC000584905614    		 3 C23 H29 N3 O InChI=1S/C23H29N3O/c1-24(
    2)22-16-26(13-17-9-5-8-12
    -23(17)27-4)15-20(22)19-1
    4-25(3)21-11-7-6-10-18(19
    )21/h5-12,14,20,22H,13,15
    -16H2,1-4H3/t20-,22+/m1/s
    1;
    CXQQECCQTKSQKN-IRLDBZIGSA-N    		 COc1ccccc1CN2C[C@@H]([C@H](C2)c3cn(C)c4c
    cccc34)N(C)C; Cn1cc(c2c1cccc2)[C@H]3CN(C
    [C@@H]3N(C)C)Cc4ccccc4OC; Cn1cc(c2c1cccc
    2)C3CN(CC3N(C)C)Cc4ccccc4OC; COc1ccccc1C
    N2C[CH]([CH](C2)c3cn(C)c4ccccc34)N(C)C    		 (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
    27612 LQE
    CHEMBL4097892
    ZINC000584905620    		 1 C23 H29 N O2 InChI=1S/C23H29NO2/c1-24-
    15-17(10-16-6-4-8-20(12-1
    6)25-2)11-19-13-21-18(14-
    22(19)24)7-5-9-23(21)26-3
    /h4-9,12,17,19,22H,10-11,
    13-15H2,1-3H3/t17-,19-,22
    -/m0/s1;
    QZUPQRHYHMMHGC-JLMWRMLUSA-N    		 CN1CC(CC2C1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC
    ; COc1cccc(C[CH]2C[CH]3Cc4c(C[CH]3N(C)C2
    )cccc4OC)c1; COc1cccc(C[C@H]2C[C@H]3Cc4c
    (C[C@@H]3N(C)C2)cccc4OC)c1; CN1C[C@H](C[
    C@@H]2[C@@H]1Cc3cccc(c3C2)OC)Cc4cccc(c4)
    OC    		 (3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline
    27613 LQF
    CHEMBL4096234
    ZINC000020676307    		 1 C22 H20 N6 O InChI=1S/C22H20N6O/c23-11
    -19-18-8-9-27(13-16-5-2-1
    -3-6-16)14-20(18)22-26-25
    -15-28(22)21(19)24-12-17-
    7-4-10-29-17/h1-7,10,15,2
    4H,8-9,12-14H2;
    QBTUKQKTXYTWPD-UHFFFAOYSA-N    		 c1ccc(cc1)CN2CCc3c(c4nncn4c(c3C#N)NCc5cc
    co5)C2; N#Cc1c2CCN(Cc3ccccc3)Cc2c4nncn4c
    1NCc5occc5    		 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
    27614 LQG
    CHEMBL4063655
    ZINC000584905617    		 2 C12 H9 N5 O InChI=1S/C12H9N5O/c13-6-9
    -3-4-11-16-15-8-17(11)12(
    9)14-7-10-2-1-5-18-10/h1-
    5,8,14H,7H2;
    HNQBUBGQBZCBSB-UHFFFAOYSA-N    		 c1cc(oc1)CNc2c(ccc3n2cnn3)C#N; N#Cc1ccc2
    nncn2c1NCc3occc3    		 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
    27615 LQH
    CHEMBL310238
    ZINC000013740204    		 7 C17 H13 F N2 InChI=1S/C17H13FN2/c18-15
    -8-4-3-7-14(15)16-11-12-5
    -1-2-6-13(12)17-19-9-10-2
    0(16)17/h1-8,11H,9-10H2;
    CRASKXTVWBAFRS-UHFFFAOYSA-N    		 c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F; Fc1c
    cccc1C2=Cc3ccccc3C4=NCCN24    		 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
    27616 LQI
    CHEMBL1326434
    ZINC000000620251    		 1 C15 H17 N O2 InChI=1S/C15H17NO2/c1-11-
    6-8-16(9-7-11)15(17)14-10
    -12-4-2-3-5-13(12)18-14/h
    2-5,10-11H,6-9H2,1H3;
    XNQRJSVFBWPVGG-UHFFFAOYSA-N    		 CC1CCN(CC1)C(=O)c1cc2ccccc2o1; CC1CCN(CC
    1)C(=O)c2cc3ccccc3o2; CC1CCN(CC1)C(=O)c2
    oc3ccccc3c2    		 (1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone
    27617 LQJ 16 C20 H24 N10 O12 P2 InChI=1S/C20H24N10O12P2/c
    21-15-9-17(25-3-23-15)29(
    5-27-9)19-11(32)12(7(1-31
    )38-19)40-43(33,34)37-2-8
    -13-14(42-44(35,36)41-13)
    20(39-8)30-6-28-10-16(22)
    24-4-26-18(10)30/h3-8,11-
    14,19-20,31-32H,1-2H2,(H,
    33,34)(H,35,36)(H2,21,23,
    25)(H2,22,24,26)/t7-,8+,1
    1-,12-,13+,14+,19-,20+/m1
    /s1;
    ZKDCIJKZCQKMKS-RJLGOGMOSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H](
    [C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N;
    Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H]
    (O[P](O)(=O)OC[C@@H]4O[C@@H]([C@H]5O[P](
    O)(=O)O[C@@H]45)n6cnc7c(N)ncnc67)[C@H]3O
    ; Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O[P
    ](O)(=O)OC[CH]4O[CH]([CH]5O[P](O)(=O)O[C
    H]45)n6cnc7c(N)ncnc67)[CH]3O; c1nc(c2c(n
    1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OCC4C5C(C
    (O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N; P(O)
    (OC3C(CO)OC(n2c1c(c(ncn1)N)nc2)C3O)(=O)O
    CC6OC(n4cnc5c4ncnc5N)C7C6OP(=O)(O)O7    		 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine
    27618 LQK
    CHEMBL4648717    		 6 C26 H27 N3 O6 InChI=1S/C26H27N3O6/c27-2
    3(31)17-8-9-20(17)24(32)2
    8-11-10-16-15(6-3-7-22(16
    )35-13-12-30)21(28)14-29-
    25(33)18-4-1-2-5-19(18)26
    (29)34/h1-7,17,20-21,30H,
    8-14H2,(H2,27,31)/t17-,20
    +,21+/m0/s1;
    XWMQKSXJPOIISN-IOMROCGXSA-N    		 NC(=O)[CH]1CC[CH]1C(=O)N2CCc3c(OCCO)cccc
    3[CH]2CN4C(=O)c5ccccc5C4=O; NC(=O)[C@H]1
    CC[C@H]1C(=O)N2CCc3c(OCCO)cccc3[C@H]2CN4
    C(=O)c5ccccc5C4=O; c1ccc2c(c1)C(=O)N(C2=
    O)CC3c4cccc(c4CCN3C(=O)C5CCC5C(=O)N)OCCO
    ; c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(
    c4CCN3C(=O)[C@@H]5CC[C@@H]5C(=O)N)OCCO    		 (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide
    27619 LQL
    CHEMBL5174111    		 1 C22 H20 Cl2 N4 O2 S InChI=1S/C22H20Cl2N4O2S/c
    23-18-6-5-16(11-19(18)24)
    28-9-8-27(22(30)15-3-1-7-
    25-12-15)14-20(28)21(29)2
    6-13-17-4-2-10-31-17/h1-7
    ,10-12,20H,8-9,13-14H2,(H
    ,26,29)/t20-/m0/s1;
    XEFYJHCPILXFKJ-FQEVSTJZSA-N    		 Clc1ccc(cc1Cl)N2CCN(C[C@H]2C(=O)NCc3sccc
    3)C(=O)c4cccnc4; c1cc(cnc1)C(=O)N2CCN(C(
    C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)Cl; Clc1
    ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=
    O)c4cccnc4; c1cc(cnc1)C(=O)N2CCN([C@@H](
    C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)Cl    		 (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
    27620 LQN 4 C20 H14 F3 N O Se InChI=1S/C20H14F3NOSe/c21
    -20(22,23)15-10-8-13(9-11
    -15)14-4-3-5-16(12-14)24-
    19(25)17-6-1-2-7-18(17)26
    /h1-12,26H,(H,24,25);
    KDJGCBCDXDUUBJ-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(cc1)c2cccc(NC(=O)c3ccccc3[
    SeH])c2; c1ccc(c(c1)C(=O)Nc2cccc(c2)c3cc
    c(cc3)C(F)(F)F)[SeH]    		 2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide
    27621 LQO
    CHEMBL58323
    DB06218
    ZINC000000007673    		 2 C13 H18 N2 O3 InChI=1S/C13H18N2O3/c1-10
    (16)15-12(9-18-2)13(17)14
    -8-11-6-4-3-5-7-11/h3-7,1
    2H,8-9H2,1-2H3,(H,14,17)(
    H,15,16)/t12-/m1/s1;
    VPPJLAIAVCUEMN-GFCCVEGCSA-N    		 CC(=O)NC(COC)C(=O)NCc1ccccc1; CC(=O)N[C@
    H](COC)C(=O)NCc1ccccc1; COC[CH](NC(C)=O)
    C(=O)NCc1ccccc1; COC[C@@H](NC(C)=O)C(=O)
    NCc1ccccc1    		 lacosamide;
    N~2~-acetyl-N-benzyl-O-methyl-D-serinamide
    27622 LQP
    ZINC000336116231    		 1 C10 H15 F2 N O2 InChI=1S/C10H15F2NO2/c11-
    10(12)15-6-9(14)13-4-7-2-
    1-3-8(7)5-13/h7-8,10H,1-6
    H2/t7-,8+;
    GFKMUMPBDKROCT-OCAPTIKFSA-N    		 C1C[C@@H]2CN(C[C@@H]2C1)C(=O)COC(F)F; FC
    (F)OCC(=O)N1C[CH]2CCC[CH]2C1; FC(F)OCC(=
    O)N1CC2CCCC2C1; FC(F)OCC(=O)N1C[C@H]2CCC
    [C@H]2C1; C1CC2CN(CC2C1)C(=O)COC(F)F    		 2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
    27623 LQQ
    CHEMBL189963
    DB09073
    ZINC000003938686    		 3 C24 H29 N7 O2 InChI=1S/C24H29N7O2/c1-15
    -19-14-27-24(28-20-8-7-18
    (13-26-20)30-11-9-25-10-1
    2-30)29-22(19)31(17-5-3-4
    -6-17)23(33)21(15)16(2)32
    /h7-8,13-14,17,25H,3-6,9-
    12H2,1-2H3,(H,26,27,28,29
    );
    AHJRHEGDXFFMBM-UHFFFAOYSA-N    		 CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCN
    CC4)C5CCCC5)C(=O)C; CC(=O)C1=C(C)c2cnc(N
    c3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O; O=
    C2N(c1nc(ncc1C(=C2C(=O)C)C)Nc3ncc(cc3)N4
    CCNCC4)C5CCCC5    		 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE;
    Palbociclib
    27624 LQT
    CHEMBL4078388
    ZINC000263620895    		 2 C15 H25 N5 O2 InChI=1S/C15H25N5O2/c1-4-
    20(8-7-19(2)3)14(21)11-17
    -10-13-9-12(15(16)22)5-6-
    18-13/h5-6,9,17H,4,7-8,10
    -11H2,1-3H3,(H2,16,22);
    PNFMVADNCOGWME-UHFFFAOYSA-N    		 CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O; CC
    N(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N    		 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide;
    KDOAM25A
    27625 LQU 1 C18 H16 N2 O InChI=1S/C18H16N2O/c1-13(
    21)20-11-16-6-2-3-8-17(16
    )18(12-20)15-7-4-5-14(9-1
    5)10-19/h2-9,18H,11-12H2,
    1H3/t18-/m1/s1;
    HZRMBUYOMGCVMU-GOSISDBHSA-N    		 CC(=O)N1Cc2ccccc2C(C1)c3cccc(c3)C#N; CC(
    =O)N1C[C@H](c2cccc(c2)C#N)c3ccccc3C1; CC
    (=O)N1C[CH](c2cccc(c2)C#N)c3ccccc3C1; N#
    Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O; CC(=O
    )N1Cc2ccccc2[C@H](C1)c3cccc(c3)C#N    		 3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile
    27626 LQV
    ZINC000004750341    		 2 C11 H14 N2 O2 InChI=1S/C11H14N2O2/c1-8-
    4-5-10(12-7-8)13-11(14)9-
    3-2-6-15-9/h4-5,7,9H,2-3,
    6H2,1H3,(H,12,13,14)/t9-/
    m0/s1;
    BFRXGCPOQMOBHK-VIFPVBQESA-N    		 Cc1ccc(nc1)NC(=O)[C@@H]2CCCO2; O=C(Nc1cc
    c(C)cn1)C1CCCO1; Cc1ccc(NC(=O)[C@@H]2CCC
    O2)nc1; Cc1ccc(NC(=O)[CH]2CCCO2)nc1; Cc1
    ccc(nc1)NC(=O)C2CCCO2    		 (2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide
    27627 LQW 15 C14 H12 Cl N O Se InChI=1S/C14H12ClNOSe/c15
    -11-7-5-10(6-8-11)9-16-14
    (17)12-3-1-2-4-13(12)18/h
    1-8,18H,9H2,(H,16,17);
    ZZXRGWYKGIZVNH-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)NCc2ccc(cc2)Cl)[SeH]; Cl
    c1ccc(CNC(=O)c2ccccc2[SeH])cc1    		 ~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide
    27628 LQX
    CHEMBL4286938    		 3 C23 H26 N6 O4 S2 InChI=1S/C23H26N6O4S2/c1-
    14-9-16(27(4)25-14)12-28-
    20-6-5-18(35(32,33)26-23(
    3)7-8-23)10-19(20)21(30)2
    9(22(28)31)13-17-11-24-15
    (2)34-17/h5-6,9-11,26H,7-
    8,12-13H2,1-4H3;
    IFWUBRBMMNTBRZ-UHFFFAOYSA-N    		 Cn1nc(C)cc1CN2C(=O)N(Cc3sc(C)nc3)C(=O)c4
    cc(ccc24)[S](=O)(=O)NC5(C)CC5; Cc1cc(n(n
    1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnc(s4)C)
    S(=O)(=O)NC5(CC5)C    		 1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
    27629 LQY
    CHEMBL4210475    		 2 C31 H36 N4 O4 InChI=1S/C31H36N4O4/c1-39
    -27-17-16-22(18-26(27)20-
    12-14-21(15-13-20)30(37)3
    3-19-28(32)36)29-24-10-6-
    7-11-25(24)31(38)35(34-29
    )23-8-4-2-3-5-9-23/h6-7,1
    2-18,23-25H,2-5,8-11,19H2
    ,1H3,(H2,32,36)(H,33,37)/
    t24-,25+/m0/s1;
    VZKJWTFPORBEEH-LOSJGSFVSA-N    		 COc1ccc(cc1c2ccc(cc2)C(=O)NCC(N)=O)C3=NN
    (C4CCCCCC4)C(=O)[C@@H]5CC=CC[C@H]35; COc
    1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)N)C3=NN(C(
    =O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5; COc1cc
    c(cc1c2ccc(cc2)C(=O)NCC(N)=O)C3=NN(C4CCC
    CCC4)C(=O)[CH]5CC=CC[CH]35; COc1ccc(cc1c
    2ccc(cc2)C(NCC(N)=O)=O)C4=NN(C3CCCCCC3)C
    (=O)C5CC=CCC45; COc1ccc(cc1c2ccc(cc2)C(=
    O)NCC(=O)N)C3=NN(C(=O)C4C3CC=CC4)C5CCCCC
    C5    		 N-(2-amino-2-oxoethyl)-5'-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide
    27630 LQZ
    CHEMBL79
    DB00281
    ZINC000000020237    		 3 C14 H22 N2 O InChI=1S/C14H22N2O/c1-5-1
    6(6-2)10-13(17)15-14-11(3
    )8-7-9-12(14)4/h7-9H,5-6,
    10H2,1-4H3,(H,15,17);
    NNJVILVZKWQKPM-UHFFFAOYSA-N    		 CCN(CC)CC(=O)Nc1c(cccc1C)C; O=C(Nc1c(ccc
    c1C)C)CN(CC)CC; CCN(CC)CC(=O)Nc1c(C)cccc
    1C    		 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide
    27631 LR0 1 C16 H14 F N3 O2 InChI=1S/C16H14FN3O2/c1-9
    (21)19-14-4-5-18-8-15(14)
    20-16(22)13-6-10-2-3-11(1
    7)7-12(10)13/h2-5,7-8,13H
    ,6H2,1H3,(H,20,22)(H,18,1
    9,21)/t13-/m1/s1;
    OVXVQSQKNSMPOY-CYBMUJFWSA-N    		 CC(=O)Nc1ccncc1NC(=O)C2Cc3c2cc(cc3)F; CC
    (=O)Nc1ccncc1NC(=O)[C@@H]2Cc3ccc(F)cc23;
    CC(=O)Nc1ccncc1NC(=O)[CH]2Cc3ccc(F)cc23
    ; CC(=O)Nc1ccncc1NC(=O)[C@@H]2Cc3c2cc(cc
    3)F; O=C(Nc1cnccc1NC(C)=O)C1Cc2ccc(F)cc2
    1    		 (7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
    27632 LR1
    ZINC000098209126    		 2 C13 H18 Br N O4 InChI=1S/C13H18BrNO4/c14-
    8-3-1-7(2-4-8)5-15-10-9(6
    -16)11(17)13(19)12(10)18/
    h1-4,9-13,15-19H,5-6H2/t9
    -,10+,11+,12-,13-/m0/s1;
    BSQKACVWQISROJ-QWQWKMKNSA-N    		 c1cc(ccc1CN[C@@H]2[C@@H]([C@H]([C@@H]([C
    @H]2O)O)O)CO)Br; Brc1ccc(cc1)CNC2C(C(O)C
    (O)C2O)CO; OC[C@@H]1[C@@H](O)[C@H](O)[C@
    @H](O)[C@@H]1NCc2ccc(Br)cc2; c1cc(ccc1CN
    C2C(C(C(C2O)O)O)CO)Br; OC[CH]1[CH](O)[CH
    ](O)[CH](O)[CH]1NCc2ccc(Br)cc2    		 (1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol
    27633 LR2 6 C12 H10 N2 O Se InChI=1S/C12H10N2OSe/c15-
    12(9-5-1-2-6-10(9)16)14-1
    1-7-3-4-8-13-11/h1-8,16H,
    (H,13,14,15);
    IIISTDSZDJBBTA-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH]; [SeH]c1
    ccccc1C(=O)Nc2ccccn2    		 ~{N}-pyridin-2-yl-2-selanyl-benzamide
    27634 LR4 1 C23 H27 N7 O S InChI=1S/C23H27N7OS/c1-14
    -13-29(3)10-11-30(14)18-8
    -4-6-16(26-18)21-27-22(31
    -28-21)23(2)9-5-7-17-19(2
    3)15(12-24)20(25)32-17/h4
    ,6,8,14H,5,7,9-11,13,25H2
    ,1-3H3/t14-,23-/m0/s1;
    YZNVUBRDUJUVPB-PSLXWICFSA-N    		 C[C@H]1CN(CCN1c2cccc(n2)c3nc(on3)[C@]4(C
    CCc5c4c(c(s5)N)C#N)C)C; C[CH]1CN(C)CCN1c
    2cccc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N
    )c45; C[C@H]1CN(C)CCN1c2cccc(n2)c3noc(n3
    )[C@@]4(C)CCCc5sc(N)c(C#N)c45; CC1CN(CCN
    1c2cccc(n2)c3nc(on3)C4(CCCc5c4c(c(s5)N)C
    #N)C)C    		 (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile;
    (4S)-2-azanyl-4-[3-[6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile
    27635 LR5
    CHEMBL4065573
    ZINC000000053520    		 1 C8 H6 F3 N O InChI=1S/C8H6F3NO/c9-8(10
    ,11)6-3-1-5(2-4-6)7(12)13
    /h1-4H,(H2,12,13);
    WEJHBEDHLLBJFW-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)N)C(F)(F)F; NC(=O)c1ccc(cc
    1)C(F)(F)F    		 4-(trifluoromethyl)benzamide
    27636 LR6 0 C17 H28 N5 O8 P InChI=1S/C17H28N5O8P/c1-9
    -6-21(15(25)19-12(9)24)13
    -10-11(23)17(30-13,8-29-3
    1(26,27)28)7-22(10)14(18-
    5)20-16(2,3)4/h6,10-11,13
    ,23H,7-8H2,1-5H3,(H,18,20
    )(H,19,24,25)(H2,26,27,28
    )/t10-,11+,13-,17-/m1/s1;
    VZAHOKWRQQERGL-WYFUGZQLSA-N    		 CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CN3C(=NC(C
    )(C)C)NC)COP(=O)(O)O)O; CNC(=NC(C)(C)C)N
    1C[C@]2(CO[P](O)(O)=O)O[C@H]([C@H]1[C@@H
    ]2O)N3C=C(C)C(=O)NC3=O; CC1=CN(C(=O)NC1=
    O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN3C(=NC(
    C)(C)C)NC)COP(=O)(O)O)O; CNC(=NC(C)(C)C)
    N1C[C]2(CO[P](O)(O)=O)O[CH]([CH]1[CH]2O)
    N3C=C(C)C(=O)NC3=O    		 [(1R,3R,4R,7S)-5-(N'-tert-butyl-N-methyl-carbamimidoyl)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate
    27637 LR7 6 C21 H31 N3 O17 P2 InChI=1S/C21H31N3O17P2/c1
    -2-3-4-5-12(26)22-14-17(3
    0)15(28)10(8-25)39-20(14)
    40-43(35,36)41-42(33,34)3
    7-9-11-16(29)18(31)19(38-
    11)24-7-6-13(27)23-21(24)
    32/h1,6-7,10-11,14-20,25,
    28-31H,3-5,8-9H2,(H,22,26
    )(H,33,34)(H,35,36)(H,23,
    27,32)/t10-,11-,14-,15+,1
    6-,17-,18-,19-,20-/m1/s1;
    SPUYDPWWABYYLH-SSBRDYMUSA-N    		 O=C1C=CN(C(N1)=O)C2C(C(C(O2)COP(O)(OP(=O
    )(O)OC3OC(CO)C(C(O)C3NC(=O)CCCC#C)O)=O)O
    )O; C#CCCCC(=O)N[C@@H]1[C@H]([C@H]([C@H]
    (O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H
    ]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO
    )O)O; C#CCCCC(=O)NC1C(C(C(OC1OP(=O)(O)OP
    (=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)
    CO)O)O; OC[CH]1O[CH](O[P](O)(=O)O[P](O)(
    =O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)
    NC3=O)[CH](NC(=O)CCCC#C)[CH](O)[CH]1O; O
    C[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C
    @H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC
    3=O)[C@H](NC(=O)CCCC#C)[C@@H](O)[C@H]1O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{R})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
    27638 LR8
    CHEMBL1720183
    ZINC000019932164    		 1 C10 H13 N3 O2 InChI=1S/C10H13N3O2/c11-1
    0(14)8-1-2-9(12-7-8)13-3-
    5-15-6-4-13/h1-2,7H,3-6H2
    ,(H2,11,14);
    WGUWZMKBMLBNEE-UHFFFAOYSA-N    		 c1cc(ncc1C(=O)N)N2CCOCC2; NC(=O)c1ccc(nc
    1)N2CCOCC2    		 6-morpholin-4-ylpyridine-3-carboxamide
    27639 LR9
    ZINC000037078066    		 1 C10 H14 N2 O InChI=1S/C10H14N2O/c1-3-1
    2(2)10(13)8-5-4-6-9(11)7-
    8/h4-7H,3,11H2,1-2H3;
    URNKFNQWYLXELN-UHFFFAOYSA-N    		 CCN(C)C(=O)c1cccc(c1)N; CCN(C)C(=O)c1ccc
    c(N)c1; O=C(c1cc(N)ccc1)N(C)CC    		 3-amino-N-ethyl-N-methylbenzamide
    27640 LRA 2 C16 H11 Br O4 InChI=1S/C16H11BrO4/c17-1
    1-6-4-9(5-7-11)13-14(19)1
    6(20)21-15(13)10-2-1-3-12
    (18)8-10/h1-8,15,18-19H/t
    15-/m1/s1;
    AXUOPMIBBDYMEV-OAHLLOKOSA-N    		 c1cc(cc(c1)O)[C@@H]2C(=C(C(=O)O2)O)c3ccc
    (cc3)Br; Oc1cccc(c1)[CH]2OC(=O)C(=C2c3cc
    c(Br)cc3)O; c1cc(cc(c1)O)C2C(=C(C(=O)O2)
    O)c3ccc(cc3)Br; Oc1cccc(c1)[C@H]2OC(=O)C
    (=C2c3ccc(Br)cc3)O    		 (2R)-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2H-furan-5-one
    27641 LRB 0 C50 H57 N7 O Ru InChI=1S/C30H41N3O.2C10H8
    N2.Ru/c1-21-10-12-31-27(1
    4-21)28-20-22(11-13-32-28
    )8-6-4-2-3-5-7-9-29(34)33
    -30-25-16-23-15-24(18-25)
    19-26(30)17-23;2*1-3-7-11
    -9(5-1)10-6-2-4-8-12-10;/
    h10-14,20,23-26,30H,2-9,1
    5-19H2,1H3,(H,33,34);2*1-
    8H;/q3*-2;+8/b28-27-;2*10
    -9-;/t23-,24+,25-,26+,30-
    ;;;;
    IGSCYCAKHRXAKK-KBBCMHLPSA-N    		 CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=
    CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C
    9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3; CC1=
    CC2=C3C=C(CCCCCCCCC(=O)NC4C5CC6CC(C5)CC4
    C6)C=CN3[Ru++]78(N9C=CC=CC9=C%10C=CC=CN7
    %10)(N%11C=CC=CC%11=C%12C=CC=CN8%12)N2C=
    C1; O=C(NC3C1CC2CC(C1)CC3C2)CCCCCCCCc%12
    cc%11c4n(ccc(c4)C)[Ru+2]7%10(n5ccccc5c6c
    cccn67)(n8ccccc8c9ccccn9%10)n%11cc%12    		 LAMBDA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II)
    27642 LRC 1 C13 H12 Cl N3 O InChI=1S/C13H12ClN3O/c1-9
    -2-3-15-8-12(9)17-13(18)5
    -10-4-11(14)7-16-6-10/h2-
    4,6-8H,5H2,1H3,(H,17,18);
    OCRRKPZGCOGESB-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cc(cnc2)Cl; O=C(Nc1cnc
    cc1C)Cc1cc(Cl)cnc1; Cc1ccncc1NC(=O)Cc2cn
    cc(Cl)c2    		 2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
    27643 LRD
    ZINC000016448889    		 11 C19 H12 Cl2 O5 S InChI=1S/C19H12Cl2O5S/c20
    -14-9-11(5-7-16(14)22)19(
    12-6-8-17(23)15(21)10-12)
    13-3-1-2-4-18(13)27(24,25
    )26/h1-10,22H,(H,24,25,26
    )/b19-12+;
    QXTPRQZMDKBTAI-XDHOZWIPSA-N    		 c1ccc(c(c1)/C(=C/2\C=CC(=O)C(=C2)Cl)/c3c
    cc(c(c3)Cl)O)S(=O)(=O)O; Oc1ccc(cc1Cl)C(
    =C2C=CC(=O)C(=C2)Cl)c3ccccc3[S](O)(=O)=O
    ; Oc1ccc(cc1Cl)C(=C\2C=CC(=O)C(=C\2)Cl)/
    c3ccccc3[S](O)(=O)=O; c1ccc(c(c1)C(=C2C=
    CC(=O)C(=C2)Cl)c3ccc(c(c3)Cl)O)S(=O)(=O)
    O; ClC3=CC(=C(/c1ccc(O)c(Cl)c1)c2ccccc2S
    (=O)(=O)O)\C=CC3=O    		 2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid;
    Chlorophenol Red
    27644 LRF
    ZINC000253415400    		 6 C8 H10 N4 O S InChI=1S/C8H10N4OS/c1-5-6
    (3-9)8(14-11-5)12(2)4-7(1
    0)13/h4H2,1-2H3,(H2,10,13
    );
    BCFQGXBWVPWHCV-UHFFFAOYSA-N    		 N#Cc1c(snc1C)N(C)CC(N)=O; Cc1c(c(sn1)N(C
    )CC(=O)N)C#N; CN(CC(N)=O)c1snc(C)c1C#N    		 N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide
    27645 LRG
    CHEMBL191275
    DB08121
    ZINC000013671695    		 9 C21 H18 O3 InChI=1S/C21H18O3/c22-21(
    23)20(15-16-7-3-1-4-8-16)
    24-19-13-11-18(12-14-19)1
    7-9-5-2-6-10-17/h1-14,20H
    ,15H2,(H,22,23)/t20-/m0/s
    1;
    TZTPJJNNACUQQR-FQEVSTJZSA-N    		 O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc3ccccc3; O
    C(=O)[C@H](Cc1ccccc1)Oc2ccc(cc2)c3ccccc3
    ; c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)c3ccccc
    3; c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c
    3ccccc3; OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2
    )c3ccccc3    		 (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
    27646 LRH 5 C6 H12 O5 InChI=1S/C6H12O5/c1-3-4(8
    )5(9)6(10,2-7)11-3/h3-5,7
    -10H,2H2,1H3/t3-,4-,5+,6-
    /m0/s1;
    CJJCPDZKQKUXSS-AZGQCCRYSA-N    		 C[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O; C[
    CH]1O[C](O)(CO)[CH](O)[CH]1O; CC1C(C(C(O
    1)(CO)O)O)O; OC1C(O)C(OC1(O)CO)C; C[C@H]
    1[C@@H]([C@H]([C@@](O1)(CO)O)O)O    		 6-deoxy-beta-L-fructofuranose;
    6-deoxy-beta-L-fructose;
    6-deoxy-L-fructose;
    6-deoxy-fructose
    27647 LRI
    CHEMBL4876469
    ZINC000048557345    		 2 C12 H13 Cl N4 S InChI=1S/C12H13ClN4S/c13-
    10-6-11(16-12(14)15-10)17
    (8-3-4-8)7-9-2-1-5-18-9/h
    1-2,5-6,8H,3-4,7H2,(H2,14
    ,15,16);
    PDWZXKSZLRVSEH-UHFFFAOYSA-N    		 c1c(scc1)CN(C2CC2)c3nc(nc(c3)Cl)N; c1cc(
    sc1)CN(c2cc(nc(n2)N)Cl)C3CC3; Nc1nc(Cl)c
    c(n1)N(Cc2sccc2)C3CC3    		 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine
    27648 LRK
    ZINC000263620764    		 0 C11 H23 N2 O9 P InChI=1S/C11H23N2O9P/c12-
    7(11(17)18)3-1-2-4-13-8(5
    -14)10(16)9(15)6-22-23(19
    ,20)21/h7-9,13-15H,1-6,12
    H2,(H,17,18)(H2,19,20,21)
    /t7-,8+,9+/m0/s1;
    MTFNVQCMTVXWTF-DJLDLDEBSA-N    		 N[CH](CCCCN[CH](CO)C(=O)[CH](O)CO[P](O)(
    O)=O)C(O)=O; N[C@@H](CCCCN[C@H](CO)C(=O)
    [C@H](O)CO[P](O)(O)=O)C(O)=O; O=P(OCC(O)
    C(=O)C(NCCCCC(C(=O)O)N)CO)(O)O; C(CCNC(C
    O)C(=O)C(COP(=O)(O)O)O)CC(C(=O)O)N; C(CC
    N[C@H](CO)C(=O)[C@@H](COP(=O)(O)O)O)C[C@
    @H](C(=O)O)N    		 (2S)-2-azanyl-6-[[(2R,4R)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid
    27649 LRL 2 C25 H24 N4 O2 S InChI=1S/C25H24N4O2S/c30-
    32(31,25-5-1-3-21-16-27-1
    4-12-23(21)25)28-17-22-10
    -11-24(29-22)19-8-6-18(7-
    9-19)20-4-2-13-26-15-20/h
    1-9,12-16,22,24,28-29H,10
    -11,17H2/t22-,24+/m0/s1;
    WDMXDRLBFHUECN-LADGPHEKSA-N    		 c1cc2cnccc2c(c1)S(=O)(=O)NCC3CCC(N3)c4cc
    c(cc4)c5cccnc5; O=[S](=O)(NC[C@@H]1CC[C@
    @H](N1)c2ccc(cc2)c3cccnc3)c4cccc5cnccc45
    ; O=[S](=O)(NC[CH]1CC[CH](N1)c2ccc(cc2)c
    3cccnc3)c4cccc5cnccc45; c1cc2cnccc2c(c1)
    S(=O)(=O)NC[C@@H]3CC[C@@H](N3)c4ccc(cc4)
    c5cccnc5    		 ~{N}-[[(2~{S},5~{R})-5-(4-pyridin-3-ylphenyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide
    27650 LRM 1 C56 H79 N20 O38 P6 InChI=1S/C56H78N20O38P6/c
    1-69(2)44-31-46(63-19-61-
    44)75(21-65-31)53-42(99-8
    )38(27(109-53)17-104-119(
    92,93)114-120(94,95)113-1
    18(90,91)103-13-23-33(78)
    35(80)49(105-23)76-22-70(
    3)32-47(76)67-54(59)68-48
    (32)81)112-117(88,89)102-
    16-26-37(41(98-7)52(108-2
    6)74-20-64-30-43(58)60-18
    -62-45(30)74)111-116(86,8
    7)101-15-25-36(40(97-6)51
    (107-25)72-11-9-28(57)66-
    55(72)82)110-115(84,85)10
    0-14-24-34(79)39(96-5)50(
    106-24)73-12-10-29(77)71(
    4)56(73)83/h9-12,18-27,33
    -42,49-53,78-80H,13-17H2,
    1-8H3,(H12-,57,58,59,60,6
    2,66,67,68,81,82,84,85,86
    ,87,88,89,90,91,92,93,94,
    95)/p+1/t23-,24-,25-,26-,
    27-,33-,34-,35-,36-,37-,3
    8-,39-,40-,41-,42-,49-,50
    -,51-,52-,53-/m1/s1;
    LXUOPLSSKHEGET-DYPPLJCPSA-O    		 CN(c1ncnc2n(cnc12)C6C(C(C(COP(OP(OP(OCC3
    C(O)C(O)C(O3)n5c4NC(N)=NC(c4[n+](c5)C)=O
    )(O)=O)(O)=O)(=O)O)O6)OP(=O)(O)OCC9C(C(C
    (n8cnc7c(N)ncnc78)O9)OC)OP(O)(OCC%11C(C(
    OC)C(N%10C(=O)N=C(N)C=C%10)O%11)OP(=O)(O
    CC%12OC(C(OC)C%12O)N%13C=CC(N(C%13=O)C)=
    O)O)=O)OC)C; CO[C@@H]1[C@H](O)[C@@H](CO[
    P](O)(=O)O[C@@H]2[C@@H](CO[P](O)(=O)O[C@
    @H]3[C@@H](CO[P](O)(=O)O[C@@H]4[C@@H](CO
    [P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[C@H]5
    O[C@H]([C@H](O)[C@@H]5O)n6c[n+](C)c7C(=O
    )N=C(N)Nc67)O[C@H]([C@@H]4OC)n8cnc9c(ncn
    c89)N(C)C)O[C@H]([C@@H]3OC)n%10cnc%11c(N
    )ncnc%10%11)O[C@H]([C@@H]2OC)N%12C=CC(=N
    C%12=O)N)O[C@H]1N%13C=CC(=O)N(C)C%13=O;
    C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H](
    [C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O
    )(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc
    6c5ncnc6N(C)C)OC)OP(=O)(O)OC[C@@H]7[C@H]
    ([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OC)OP(=O
    )(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C
    C(=NC1=O)N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C
    @H]([C@@H](O1)N1C=CC(=O)N(C1=O)C)OC)O)O)
    O; C[n+]1cn(c2c1C(=O)N=C(N2)N)C3C(C(C(O3
    )COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O
    4)n5cnc6c5ncnc6N(C)C)OC)OP(=O)(O)OCC7C(C
    (C(O7)n8cnc9c8ncnc9N)OC)OP(=O)(O)OCC1C(C
    (C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(
    C(C(O1)N1C=CC(=O)N(C1=O)C)OC)O)O)O; CO[C
    H]1[CH](O)[CH](CO[P](O)(=O)O[CH]2[CH](CO
    [P](O)(=O)O[CH]3[CH](CO[P](O)(=O)O[CH]4[
    CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC
    [CH]5O[CH]([CH](O)[CH]5O)n6c[n+](C)c7C(=
    O)N=C(N)Nc67)O[CH]([CH]4OC)n8cnc9c(ncnc8
    9)N(C)C)O[CH]([CH]3OC)n%10cnc%11c(N)ncnc
    %10%11)O[CH]([CH]2OC)N%12C=CC(=NC%12=O)N
    )O[CH]1N%13C=CC(=O)N(C)C%13=O    		 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-({(2R,3R,4R,5R)-3-{[(R)-{[(2R,3R,4R,5R)-3-{[(S)-{[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-{[(S)-hydroxy{[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium
    27651 LRN 1 C20 H36 N2 O2 InChI=1S/C20H36N2O2/c1-16
    (23)21-13-5-8-19(15-21)22
    (14-17-6-3-2-4-7-17)18-9-
    11-20(24)12-10-18/h17-20,
    24H,2-15H2,1H3/t18-,19-,2
    0-/m1/s1;
    BWGFBDXTNPNCAD-VAMGGRTRSA-N    		 CC(=O)N1CCCC(C1)N(CC2CCCCC2)C3CCC(CC3)O;
    CC(=O)N1CCC[C@H](C1)N(CC2CCCCC2)[C@H]3C
    C[C@H](O)CC3; CC(=O)N1CCC[CH](C1)N(CC2CC
    CCC2)[CH]3CC[CH](O)CC3; O=C(C)N1CCCC(C1)
    N(CC1CCCCC1)C1CCC(O)CC1; CC(=O)N1CCC[C@H
    ](C1)N(CC2CCCCC2)C3CCC(CC3)O    		 1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one
    27652 LRO
    CHEMBL3991051
    ZINC000095921127    		 2 C14 H14 N2 O4 InChI=1S/C14H14N2O4/c1-8-
    2-4-9(5-3-8)6-7-10-11(13(
    18)19)15-14(20)16-12(10)1
    7/h2-5H,6-7H2,1H3,(H,18,1
    9)(H2,15,16,17,20);
    BBNOPYKTLSUCSO-UHFFFAOYSA-N    		 Cc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O; Cc
    1ccc(CCC2=C(NC(=O)NC2=O)C(O)=O)cc1; O=C1
    NC(C(=O)O)=C(C(=O)N1)CCc2ccc(cc2)C    		 5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
    27653 LRP 1 C24 H36 N10 O17 P3 InChI=1S/C24H35N10O17P3/c
    1-31(2)18-12-19(27-7-26-1
    8)33(8-28-12)23-17(45-4)1
    5(36)11(49-23)6-47-53(41,
    42)51-54(43,44)50-52(39,4
    0)46-5-10-14(35)16(37)22(
    48-10)34-9-32(3)13-20(34)
    29-24(25)30-21(13)38/h7-1
    1,14-17,22-23,35-37H,5-6H
    2,1-4H3,(H5-,25,29,30,38,
    39,40,41,42,43,44)/p+1/t1
    0-,11-,14-,15-,16-,17-,22
    -,23-/m1/s1;
    WWIREDRDOBXWDG-FRZFILDFSA-O    		 n2c1c(ncnc1N(C)C)n(c2)C6OC(COP(=O)(O)OP(
    OP(O)(OCC3C(O)C(C(O3)n5c4N=C(N)NC(c4[n+]
    (c5)C)=O)O)=O)(O)=O)C(C6OC)O; C[n+]1cn(c
    2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP
    (=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncn
    c6N(C)C)OC)O)O)O; CO[CH]1[CH](O)[CH](CO[
    P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[
    CH]([CH](O)[CH]2O)n3c[n+](C)c4C(=O)NC(=N
    c34)N)O[CH]1n5cnc6c(ncnc56)N(C)C; C[n+]1
    cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]
    ([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC
    [C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncn
    c6N(C)C)OC)O)O)O; CO[C@@H]1[C@H](O)[C@@H
    ](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[C
    @H]2O[C@H]([C@H](O)[C@@H]2O)n3c[n+](C)c4
    C(=O)NC(=Nc34)N)O[C@H]1n5cnc6c(ncnc56)N(
    C)C    		 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(R)-({(2R,3R,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium
    27654 LRQ
    CHEMBL4452972    		 2 C27 H27 F3 N2 O2 InChI=1S/C27H27F3N2O2/c1-
    26(2,30)15-32-17-6-5-11-2
    7(32,25-19(14-17)18-7-3-4
    -8-22(18)31-25)24-20(28)1
    2-16(13-21(24)29)9-10-23(
    33)34/h3-4,7-10,12-13,17,
    31H,5-6,11,14-15H2,1-2H3,
    (H,33,34)/b10-9+/t17-,27-
    /m1/s1;
    XPULPVUOUDRKNB-SAEWTEAUSA-N    		 CC(C)(F)CN1[CH]2CCC[C]1(c3[nH]c4ccccc4c3
    C2)c5c(F)cc(C=CC(O)=O)cc5F; CC(C)(F)CN1[
    C@@H]2CCC[C@]1(c3[nH]c4ccccc4c3C2)c5c(F)
    cc(/C=C/C(O)=O)cc5F; CC(C)(CN1C2CCCC1(c3
    c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)C=CC(=O)O
    )F)F; CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccc
    cc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F    		 Bridged tetracyclic indole
    27655 LRR
    ZINC000000012163    		 1 C14 H19 N O2 InChI=1S/C14H19NO2/c16-14
    (15-9-11-17-12-10-15)8-4-
    7-13-5-2-1-3-6-13/h1-3,5-
    6H,4,7-12H2;
    VCWRKWJSYZSPEJ-UHFFFAOYSA-N    		 c1ccc(cc1)CCCC(=O)N2CCOCC2; O=C(CCCc1ccc
    cc1)N2CCOCC2; O=C(CCCc1ccccc1)N1CCOCC1    		 1-(morpholin-4-yl)-4-phenylbutan-1-one
    27656 LRS
    CHEMBL4483477    		 4 C25 H30 N8 O3 InChI=1S/C25H30N8O3/c1-30
    -21-13-20(28-24(35)18-15-
    27-33-6-2-5-26-23(18)33)2
    2(31-7-3-17(16-34)4-8-31)
    14-19(21)29-25(30)32-9-11
    -36-12-10-32/h2,5-6,13-15
    ,17,34H,3-4,7-12,16H2,1H3
    ,(H,28,35);
    LVDMRCKBQDTUEU-UHFFFAOYSA-N    		 Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC
    (=O)c5cnn6c5nccc6; Cn1c2cc(NC(=O)c3cnn4c
    ccnc34)c(cc2nc1N5CCOCC5)N6CCC(CO)CC6; c3
    (cc2nc(N1CCOCC1)n(c2cc3NC(=O)c5c4ncccn4n
    c5)C)N6CCC(CC6)CO    		 N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
    27657 LRT
    CHEMBL1667963
    ZINC000066099959    		 3 C14 H18 N4 O2 S InChI=1S/C14H18N4O2S/c15-
    14-12-3-1-4-13(11(12)5-7-
    17-14)21(19,20)18-9-2-6-1
    6-8-10-18/h1,3-5,7,16H,2,
    6,8-10H2,(H2,15,17);
    QITCSTCJTLZZMU-UHFFFAOYSA-N    		 Nc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3; c1c
    c2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3    		 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine
    27658 LRU
    DB03871    		 1 C23 H19 N6 Ru InChI=1S/2C10H8N2.C3H3N2.
    Ru/c2*1-3-7-11-9(5-1)10-6
    -2-4-8-12-10;1-2-5-3-4-1;
    /h2*1-8H;1-3H;/q;;-1;+3;
    ZSRBWSVKDUMHBO-UHFFFAOYSA-N    		 n1ccn(c1)[Ru+2]73(n4c(c2ccccn23)cccc4)n5
    ccccc5c6ccccn67; [Ru++]|1|2(|n3ccccc3c4c
    cccn|14)(|n5ccccc5c6ccccn|26)n7ccnc7; c1
    cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=[N]2C=
    CC=C5)[N]6=CC=CC=C6C7=CC=CC=[N]37    		 LAMBDA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE RUTHENIUM (II)
    27659 LRV 1 C38 H62 O18 InChI=1S/C38H62O18/c1-16-
    11-37-9-5-20-35(2,7-4-8-3
    6(20,3)34(49)50)21(37)6-1
    0-38(16,15-37)56-33-30(55
    -32-28(48)26(46)23(43)18(
    13-40)52-32)29(24(44)19(1
    4-41)53-33)54-31-27(47)25
    (45)22(42)17(12-39)51-31/
    h16-33,39-48H,4-15H2,1-3H
    3,(H,49,50)/t16-,17-,18+,
    19-,20+,21+,22-,23+,24-,2
    5+,26+,27+,28+,29-,30-,31
    +,32+,33+,35-,36-,37-,38+
    /m1/s1;
    VDNFPBCVHYOBFH-LNBNFVSXSA-N    		 C[C@@H]1C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C
    @@]1(C3)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H
    ](O5)CO)O)O[C@H]6[C@H](C([C@@H](C(O6)CO)
    O)O)O)OC7[C@H]([C@H]([C@H]([C@@H](O7)CO)
    O)O)O)(CCC[C@@]4(C)C(=O)O)C; C[CH]1C[C]2
    3CC[CH]4[C](C)(CCC[C]4(C)C(O)=O)[CH]2CC[
    C]1(C3)O[CH]5O[CH](CO)[CH](O)[CH](O[CH]6
    O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH]5O[CH]
    7O[CH](CO)[CH](O)[CH](O)[CH]7O; CC1CC23C
    CC4C(C2CCC1(C3)OC5C(C(C(C(O5)CO)O)OC6C(C
    (C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)
    (CCCC4(C)C(=O)O)C; C7(C(C(C(OC1C(OC(CO)C
    (C1OC2C(O)C(C(O)C(CO)O2)O)O)OC34CC6(CC3C
    )C(CC4)C5(C)CCCC(C(O)=O)(C5CC6)C)OC7CO)O
    )O)O; C[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(C
    CC[C@@]4(C)C(O)=O)[C@@H]2CC[C@@]1(C3)O[C
    @@H]5O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]6O
    [C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@H]
    5O[C@@H]7O[C@@H](CO)[C@H](O)[C@H](O)[C@@
    H]7O    		 (8alpha,9beta,10alpha,13alpha)-13-{[alpha-L-allopyranosyl-(1->2)-[beta-D-mannopyranosyl-(1->3)]-beta-D-allopyranosyl]oxy}kauran-18-oic acid
    27660 LRW
    CHEMBL2387748
    ZINC000000119696    		 1 C10 H7 F3 O2 InChI=1S/C10H7F3O2/c11-10
    (12,13)8-3-1-2-7(6-8)4-5-
    9(14)15/h1-6H,(H,14,15)/b
    5-4+;
    KSBWHDDGWSYETA-SNAWJCMRSA-N    		 OC(=O)/C=C/c1cccc(c1)C(F)(F)F; c1cc(cc(c
    1)C(F)(F)F)/C=C/C(=O)O; OC(=O)C=Cc1cccc(
    c1)C(F)(F)F; c1cc(cc(c1)C(F)(F)F)C=CC(=O
    )O    		 (~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
    27661 LRY
    ZINC000034997269    		 6 C8 H16 N O9 P InChI=1S/C8H16NO9P/c1-4(1
    1)9-5(2-10)7(13)8(14)6(12
    )3-18-19(15,16)17/h2,5-8,
    12-14H,3H2,1H3,(H,9,11)(H
    2,15,16,17)/t5-,6-,7-,8-/
    m1/s1;
    QDSLHWJDSQGPEE-WCTZXXKLSA-N    		 CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[
    P](O)(O)=O; CC(=O)N[C@H](C=O)[C@@H](O)[C
    @H](O)[C@H](O)CO[P](O)(O)=O; CC(=O)N[C@H
    ](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)
    O)O; O=P(OCC(O)C(O)C(O)C(C=O)NC(=O)C)(O)
    O; CC(=O)NC(C=O)C(C(C(COP(=O)(O)O)O)O)O    		 N-acetylmannosamine-6-phosphate
    27662 LRZ
    CHEMBL5199380    		 6 C27 H32 N10 O7 InChI=1S/C27H32N10O7/c1-4
    3-25(41)14-7-13-3-4-15(9-
    16(13)17(38)8-14)36-27(42
    )31-6-2-5-30-26(29)32-10-
    18-20(39)21(40)24(44-18)3
    7-12-35-19-22(28)33-11-34
    -23(19)37/h3-4,7-9,11-12,
    18,20-21,24,38-40H,2,5-6,
    10H2,1H3,(H2,28,33,34)(H3
    ,29,30,32)(H2,31,36,42)/t
    18-,20-,21-,24-/m1/s1;
    GJPQENHVEQGHGP-UMCMBGNQSA-N    		 COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(=N)NC[CH
    ]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)c
    cc2c1; COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(=
    N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5
    c(N)ncnc45)ccc2c1; COC(=O)c1cc2ccc(cc2c(
    c1)O)NC(=O)NCCCNC(=N)NCC3C(C(C(O3)n4cnc5
    c4ncnc5N)O)O; [H]/N=C(\NCCCNC(=O)Nc1ccc2
    cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@
    H]([C@@H](O3)n4cnc5c4ncnc5N)O)O    		 methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
    27663 LS0 1 C16 H14 F N3 O InChI=1S/C16H14FN3O/c1-11
    -4-6-18-9-14(11)19-16(21)
    10-20-7-5-12-2-3-13(17)8-
    15(12)20/h2-9H,10H2,1H3,(
    H,19,21);
    FTEMSYPIGWJMTH-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cn2ccc3c2cc(cc3)F; Cc1ccn
    cc1NC(=O)Cn1ccc2ccc(F)cc21; Cc1ccncc1NC(
    =O)Cn2ccc3ccc(F)cc23    		 2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide
    27664 LS1
    CHEMBL1234085
    DB08122
    ZINC000010254749    		 1 C16 H15 N3 O3 S InChI=1S/C16H15N3O3S/c1-1
    7-23(21,22)12-8-6-11(7-9-
    12)18-10-14-13-4-2-3-5-15
    (13)19-16(14)20/h2-10,17-
    18H,1H3,(H,19,20)/b14-10-;
    IKASAFLVQIJQOK-UVTDQMKNSA-N    		 CNS(=O)(=O)c1ccc(cc1)NC=C2c3ccccc3NC2=O;
    O=S(=O)(NC)c1ccc(cc1)N/C=C3/c2ccccc2NC3
    =O; CN[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3cccc
    c23)cc1; CNS(=O)(=O)c1ccc(cc1)N\C=C/2\c3
    ccccc3NC2=O; CN[S](=O)(=O)c1ccc(N\C=C2/C
    (=O)Nc3ccccc23)cc1    		 N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
    27665 LS2
    CHEMBL1234086
    DB08123
    ZINC000010254750    		 1 C17 H15 N5 O3 S2 InChI=1S/C17H15N5O3S2/c1-
    18-27(24,25)8-10-2-4-11(5
    -3-10)21-22-15-14-12(20-1
    7(15)23)6-7-13-16(14)26-9
    -19-13/h2-7,9,18,21H,8H2,
    1H3,(H,20,22,23);
    GEWPSTLKJDIUHW-UHFFFAOYSA-N    		 CN[S](=O)(=O)Cc1ccc(N\N=C2/C(=O)Nc3ccc4n
    csc4c23)cc1; CN[S](=O)(=O)Cc1ccc(NN=C2C(
    =O)Nc3ccc4ncsc4c23)cc1; CNS(=O)(=O)Cc1cc
    c(cc1)NN=C2c3c(ccc4c3scn4)NC2=O; O=S(=O)
    (NC)Cc1ccc(cc1)N/N=C2\C(=O)Nc4c2c3scnc3c
    c4    		 N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
    27666 LS3
    CHEMBL1234087
    DB08124
    ZINC000008552693    		 1 C20 H15 N3 O4 S InChI=1S/C20H15N3O4S/c24-
    20-17(7-22-15-3-1-13-9-28
    (25,26)10-14(13)5-15)16-6
    -12(2-4-18(16)23-20)19-8-
    21-11-27-19/h1-8,11,22H,9
    -10H2,(H,23,24)/b17-7-;
    FTQYGMLRLRXBPT-IDUWFGFVSA-N    		 O=C3Nc2ccc(c1ocnc1)cc2/C3=C/Nc4ccc5c(c4)
    CS(=O)(=O)C5; O=C1Nc2ccc(cc2C1=CNc3ccc4C
    [S](=O)(=O)Cc4c3)c5ocnc5; O=C\1Nc2ccc(cc
    2C\1=C/Nc3ccc4C[S](=O)(=O)Cc4c3)c5ocnc5;
    c1cc2c(cc1c3cnco3)C(=CNc4ccc5c(c4)CS(=O
    )(=O)C5)C(=O)N2    		 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE
    27667 LS4
    CHEMBL1234088
    DB08125
    ZINC000010254751    		 1 C18 H14 N4 O3 S2 InChI=1S/C18H14N4O3S2/c23
    -17-15(14-3-1-2-4-16(14)2
    1-17)11-20-12-5-7-13(8-6-
    12)27(24,25)22-18-19-9-10
    -26-18/h1-11,20H,(H,19,22
    )(H,21,23)/b15-11-;
    BOMPRXSVSIPRDT-PTNGSMBKSA-N    		 c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)Nc4
    nccs4)/C(=O)N2; O=C\1Nc2ccccc2C\1=C/Nc3c
    cc(cc3)[S](=O)(=O)Nc4sccn4; c1ccc2c(c1)C
    (=CNc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)N2;
    O=C1Nc2ccccc2C1=CNc3ccc(cc3)[S](=O)(=O)
    Nc4sccn4; O=S(=O)(Nc1nccs1)c4ccc(N/C=C3/
    c2ccccc2NC3=O)cc4    		 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
    27668 LS5
    CHEMBL1234089
    DB08126
    ZINC000006536092    		 2 C16 H15 N5 O3 S InChI=1S/C16H15N5O3S/c17-
    16(18)21-25(23,24)11-7-5-
    10(6-8-11)19-9-13-12-3-1-
    2-4-14(12)20-15(13)22/h1-
    9,19H,(H,20,22)(H4,17,18,
    21)/b13-9-;
    DMCRNUMVSATRTP-LCYFTJDESA-N    		 c1ccc2c(c1)C(=CNc3ccc(cc3)S(=O)(=O)NC(=N
    )N)C(=O)N2; NC(=N)N[S](=O)(=O)c1ccc(NC=C
    2C(=O)Nc3ccccc23)cc1; NC(=N)N[S](=O)(=O)
    c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1; c1ccc2
    c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/
    C(=O)N2; O=S(=O)(NC(=[N@H])N)c1ccc(cc1)N
    /C=C3/c2ccccc2NC3=O    		 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE
    27669 LS6 1 C16 H22 N2 O2 InChI=1S/C16H22N2O2/c19-1
    6(17-20)7-6-15-9-12-18(13
    -10-15)11-8-14-4-2-1-3-5-
    14/h1-7,15,20H,8-13H2,(H,
    17,19);
    LPMFCCCECUVGJJ-UHFFFAOYSA-N    		 ONC(=O)C=CC1CCN(CC1)CCc2ccccc2; ONC(=O)/
    C=C/C1CCN(CCc2ccccc2)CC1; c1ccc(cc1)CCN2
    CCC(CC2)C=CC(=O)NO; c1ccc(cc1)CCN2CCC(CC
    2)/C=C/C(=O)NO; ONC(=O)/C=C/C1CCN(CC1)CC
    c2ccccc2    		 (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
    27670 LS7
    CHEMBL4473269    		 4 C21 H23 N5 O3 InChI=1S/C21H23N5O3/c1-21
    (2)12-14-10-16(17(11-18(1
    4)29-21)25-6-8-28-9-7-25)
    24-20(27)15-13-23-26-5-3-
    4-22-19(15)26/h3-5,10-11,
    13H,6-9,12H2,1-2H3,(H,24,
    27);
    LGCXMCBXSOYDBH-UHFFFAOYSA-N    		 CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)
    N5CCOCC5; CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(
    =O)c4cnn5c4nccc5)C; c51c(cc(c(c1)NC(=O)c
    2cnn3c2nccc3)N4CCOCC4)OC(C5)(C)C    		 N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
    27671 LS8
    CHEMBL3752151
    ZINC000254286814    		 4 C19 H17 N3 O4 S InChI=1S/C19H17N3O4S/c1-1
    2-8-14-10-15(5-6-16(14)22
    (2)19(12)23)21-27(24,25)1
    8-7-4-13(11-20)9-17(18)26
    -3/h4-10,21H,1-3H3;
    UEMQPCYDWCSVCU-UHFFFAOYSA-N    		 CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(c
    c3OC)C#N; COc1cc(ccc1[S](=O)(=O)Nc2ccc3N
    (C)C(=O)C(=Cc3c2)C)C#N    		 4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide
    27672 LS9
    CHEMBL3236605
    ZINC000169743271    		 1 C5 H6 B N O2 InChI=1S/C5H6BNO2/c8-6(9)
    5-2-1-3-7-4-5/h1-4,8-9H;
    ABMYEXAYWZJVOV-UHFFFAOYSA-N    		 B(c1cccnc1)(O)O; OB(O)c1cccnc1 pyridin-3-ylboronic acid
    27673 LSA
    CHEMBL310671
    DB12418
    ZINC000002560357    		 15 C7 H5 N O3 S InChI=1S/C7H5NO3S/c9-7-5-
    3-1-2-4-6(5)12(10,11)8-7/
    h1-4H,(H,8,9);
    CVHZOJJKTDOEJC-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)NS2(=O)=O; O=C2c1ccccc1S
    (=O)(=O)N2; O=C1N[S](=O)(=O)c2ccccc12    		 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE;
    SACCHARIN
    27674 LSB
    ZINC000098209127    		 1 C29 H43 N O6 InChI=1S/C29H43NO6/c1-7-2
    2(26(32)30-19(5)25(34-27(
    30)33)21-13-11-10-12-14-2
    1)24(31)18(4)17-29(9-3)23
    (36-29)15-16-28(8-2)20(6)
    35-28/h10-14,18-20,22-25,
    31H,7-9,15-17H2,1-6H3/t18
    -,19+,20+,22+,23+,24-,25+
    ,28+,29+/m0/s1;
    PLMSSXURLNIBST-CWZDORBJSA-N    		 CC[CH]([CH](O)[CH](C)C[C]1(CC)O[CH]1CC[C
    ]2(CC)O[CH]2C)C(=O)N3[CH](C)[CH](OC3=O)c
    4ccccc4; CC[C@H]([C@@H](O)[C@@H](C)C[C@@
    ]1(CC)O[C@@H]1CC[C@@]2(CC)O[C@@H]2C)C(=O
    )N3[C@H](C)[C@@H](OC3=O)c4ccccc4; O=C2OC
    (c1ccccc1)C(N2C(=O)C(CC)C(O)C(C)CC4(OC4C
    CC3(OC3C)CC)CC)C; CCC(C(C(C)CC1(C(O1)CCC
    2(C(O2)C)CC)CC)O)C(=O)N3C(C(OC3=O)c4cccc
    c4)C; CC[C@H]([C@H]([C@@H](C)CC1([C@H](O
    1)CC[C@@]2([C@H](O2)C)CC)CC)O)C(=O)N3[C@
    @H]([C@@H](OC3=O)c4ccccc4)C    		 (4R,5S)-3-((2R,3S,4S)-2-ethyl-5-((2R,3R)-2-ethyl-3-(2-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)ethyl)oxiran-2-yl)-3-hydroxy-4-methylpentanoyl)-4-methyl-5-phenyloxazolidin-2-one;
    (4R,5S)-3-[(2R,3S,4S)-2-ethyl-5-[(3R)-2-ethyl-3-[2-[(2R,3R)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
    27675 LSC
    ZINC000062234213    		 5 C26 H53 N O7 P InChI=1S/C26H52NO7P/c1-5-
    6-7-8-9-10-11-12-13-14-15
    -16-17-18-19-20-26(29)32-
    23-25(28)24-34-35(30,31)3
    3-22-21-27(2,3)4/h12-13,2
    5,28H,5-11,14-24H2,1-4H3/
    p+1/b13-12+/t25-/m1/s1;
    YAMUFBLWGFFICM-ZOGNMOHXSA-O    		 CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO[P
    ](O)(=O)OCC[N+](C)(C)C; CCCCCCCCC=CCCCCC
    CCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O; C
    CCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO[P@](=
    O)(O)OCC[N+](C)(C)C)O; O=C(OCC(O)COP(=O)
    (OCC[N+](C)(C)C)O)CCCCCCC/C=C/CCCCCCCC;
    CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)
    (=O)OCC[N+](C)(C)C    		 (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide
    27676 LSD
    CHEMBL145347
    DB11423
    ZINC000004216707    		 2 C34 H54 O8 InChI=1S/C34H54O8/c1-9-25
    (31-21(6)18-34(11-3,42-31
    )26-16-17-33(40,10-2)23(8
    )41-26)30(37)22(7)28(35)1
    9(4)12-14-24-15-13-20(5)2
    9(36)27(24)32(38)39/h13,1
    5,19,21-23,25-26,28,31,35
    -36,40H,9-12,14,16-18H2,1
    -8H3,(H,38,39)/t19-,21+,2
    2+,23+,25+,26-,28+,31+,33
    -,34+/m1/s1;
    BBMULGJBVDDDNI-OWKLGTHSSA-N    		 O=C(O)c1c(O)c(ccc1CCC(C)C(O)C(C(=O)C(CC)
    C2OC(CC2C)(C3OC(C)C(O)(CC)CC3)CC)C)C; CC
    C(C1C(CC(O1)(CC)C2CCC(C(O2)C)(CC)O)C)C(=
    O)C(C)C(C(C)CCc3ccc(c(c3C(=O)O)O)C)O; CC
    [C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2C
    C[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@
    @H](O)[C@H](C)CCc3ccc(C)c(O)c3C(O)=O; CC
    [CH]([CH]1O[C](CC)(C[CH]1C)[CH]2CC[C](O)
    (CC)[CH](C)O2)C(=O)[CH](C)[CH](O)[CH](C)
    CCc3ccc(C)c(O)c3C(O)=O; CC[C@H]([C@@H]1[
    C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](
    O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C
    )CCc3ccc(c(c3C(=O)O)O)C)O    		 Lasalocid A;
    6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydrofuran-2-yl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
    27677 LSE 5 C18 H36 O10 Se Si InChI=1S/C18H36O10SeSi/c1
    -29-8-10-16(28-18-14(23)1
    2(21)11(20)9(7-19)26-18)1
    3(22)15(24)17(27-10)25-5-
    6-30(2,3)4/h9-24H,5-8H2,1
    -4H3/t9-,10-,11+,12+,13-,
    14-,15-,16-,17-,18+/m1/s1;
    DAHDBHYUNUXOAL-MUKCROHVSA-N    		 C[Si](C)(C)CCOC1C(C(C(C(O1)C[Se]C)OC2C(C
    (C(C(O2)CO)O)O)O)O)O; C[Se]C[CH]1O[CH](O
    CC[Si](C)(C)C)[CH](O)[CH](O)[CH]1O[CH]2O
    [CH](CO)[CH](O)[CH](O)[CH]2O; O(C1C(OC(O
    CC[Si](C)(C)C)C(O)C1O)C[Se]C)C2OC(C(O)C(
    O)C2O)CO; C[Si](C)(C)CCO[C@H]1[C@@H]([C@
    H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H](
    [C@H]([C@H]([C@H](O2)CO)O)O)O)O)O; C[Se]
    C[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](O)[C
    @@H](O)[C@@H]1O[C@@H]2O[C@H](CO)[C@H](O)
    [C@H](O)[C@H]2O    		 2-(trimethylsilyl)ethyl 4-O-beta-D-galactopyranosyl-6-Se-methyl-6-seleno-beta-D-glucopyranoside
    27678 LSF 1 C17 H17 N3 O3 InChI=1S/C17H17N3O3/c1-11
    -5-6-18-10-14(11)19-15(21
    )8-12-3-2-4-13(7-12)23-17
    -9-16(22)20-17/h2-7,10,17
    H,8-9H2,1H3,(H,19,21)(H,2
    0,22)/t17-/m1/s1;
    OWPHHWQTUZCDRN-QGZVFWFLSA-N    		 Cc1ccncc1NC(=O)Cc2cccc(c2)O[C@@H]3CC(=O)
    N3; Cc1ccncc1NC(=O)Cc2cccc(O[C@@H]3CC(=O
    )N3)c2; Cc1ccncc1NC(=O)Cc2cccc(O[CH]3CC(
    =O)N3)c2; Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=
    O)N2)c1; Cc1ccncc1NC(=O)Cc2cccc(c2)OC3CC
    (=O)N3    		 N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide
    27679 LSG
    CHEMBL1169814
    ZINC000053295703    		 1 C16 H17 F I N3 O4 InChI=1S/C16H17FIN3O4/c1-
    9(23)14-8-11(16(24)20-25-
    6-5-22)15(21(14)2)19-13-4
    -3-10(18)7-12(13)17/h3-4,
    7-8,19,22H,5-6H2,1-2H3,(H
    ,20,24);
    WRHOGNMBUWCIAC-UHFFFAOYSA-N    		 Cn1c(Nc2ccc(I)cc2F)c(cc1C(C)=O)C(=O)NOCC
    O; CC(=O)c1cc(c(n1C)Nc2ccc(cc2F)I)C(=O)N
    OCCO; Ic1ccc(c(F)c1)Nc2c(cc(C(=O)C)n2C)C
    (=O)NOCCO    		 5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide
    27680 LSH
    ZINC000584905613    		 0 C11 H16 N3 O10 P S InChI=1S/C11H16N3O10PS/c1
    -5-2-14(10(17)12-8(5)16)9
    -6-7(15)11(24-9,3-23-25(1
    8,19)20)4-26(21,22)13-6/h
    2,6-7,9,13,15H,3-4H2,1H3,
    (H,12,16,17)(H2,18,19,20)
    /t6-,7+,9-,11+/m1/s1;
    BWIQWTUDCFCICX-SZVQBCOZSA-N    		 CC1=CN([CH]2O[C]3(CO[P](O)(O)=O)C[S](=O)
    (=O)N[CH]2[CH]3O)C(=O)NC1=O; CC1=CN(C(=O
    )NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=
    O)(=O)N3)COP(=O)(O)O)O; CC1=CN([C@@H]2O[
    C@@]3(CO[P](O)(O)=O)C[S](=O)(=O)N[C@@H]2
    [C@@H]3O)C(=O)NC1=O; CC1=CN(C(=O)NC1=O)C
    2C3C(C(O2)(CS(=O)(=O)N3)COP(=O)(O)O)O    		 [(1R,5R,7R,8S)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate
    27681 LSI 2 C22 H22 N2 O5 Ru S InChI=1S/C17H17N2O5S.C5H5
    .Ru/c1-9-8-25-16-13(15(22
    )19(16)14(9)17(23)24)18-1
    2(21)7-6-11(20)10-4-2-3-5
    -10;1-2-4-5-3-1;/h2-5,13,
    16H,6-8H2,1H3,(H,18,21)(H
    ,23,24);1-5H;/t13-,16-;;/
    m1../s1;
    VVYXHQVDQWFSGH-DRUSRECESA-N    		 O=C1C(C2SCC(C)=C(C(=O)O)N12)NC(=O)CCC(=O
    )C%10%13[Ru]84569%12%11(C7C3C4C5C67)C(C9
    %10)C%11C%12%13; CC1=C(N2C(C(C2=O)NC(=O)
    CCC(=O)C34C5[Ru]3678923(C5C6C74)C4C8C9C2
    C34)SC1)C(=O)O; [Ru].CC1=C(N2[C@H](SC1)[
    C@H](NC(=O)CCC(=O)C3CCCC3)C2=O)C(O)=O.C4
    CCCC4; CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)
    CCC(=O)C34C5[Ru]3678923(C5C6C74)C4C8C9C2
    C34)SC1)C(=O)O; [Ru].CC1=C(N2[CH](SC1)[C
    H](NC(=O)CCC(=O)C3CCCC3)C2=O)C(O)=O.C4CC
    CC4    		 ruthenocenyl-7-aminodesacetoxycephalosporanic acid
    27682 LSJ
    CHEMBL3120317    		 1 C25 H25 N O4 S InChI=1S/C25H25NO4S/c1-4-
    20(17-9-7-11-19(15-17)26-
    31(3,27)28)25-21-12-5-6-1
    3-22(21)30-16-18-10-8-14-
    23(29-2)24(18)25/h5-15,26
    H,4,16H2,1-3H3/b25-20-;
    PHIKAOOZNGLKDI-QQTULTPQSA-N    		 O=S(=O)(Nc1cccc(c1)/C(=C2/c4c(OCc3c2c(OC
    )ccc3)cccc4)CC)C; CCC(=C1c2ccccc2OCc3c1c
    (ccc3)OC)c4cccc(c4)NS(=O)(=O)C; CCC(\c1c
    ccc(N[S](C)(=O)=O)c1)=C2/c3ccccc3OCc4ccc
    c(OC)c24; CC/C(=C/1\c2ccccc2OCc3c1c(ccc3
    )OC)/c4cccc(c4)NS(=O)(=O)C; CCC(c1cccc(N
    [S](C)(=O)=O)c1)=C2c3ccccc3OCc4cccc(OC)c
    24    		 N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide
    27683 LSK
    CHEMBL5206272    		 6 C29 H36 N10 O7 InChI=1S/C29H36N10O7/c1-4
    5-27(43)16-9-15-5-6-17(11
    -18(15)19(40)10-16)38-29(
    44)33-8-4-2-3-7-32-28(31)
    34-12-20-22(41)23(42)26(4
    6-20)39-14-37-21-24(30)35
    -13-36-25(21)39/h5-6,9-11
    ,13-14,20,22-23,26,40-42H
    ,2-4,7-8,12H2,1H3,(H2,30,
    35,36)(H3,31,32,34)(H2,33
    ,38,44)/t20-,22-,23-,26-/
    m1/s1;
    UBOFQOGNZXZZPE-HUBRGWSESA-N    		 COC(=O)c1cc2ccc(cc2c(c1)O)NC(=O)NCCCCCNC
    (=N)NCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O; COC
    (=O)c1cc(O)c2cc(NC(=O)NCCCCCNC(=N)NC[CH]
    3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)cc
    c2c1; [H]/N=C(/NCCCCCNC(=O)Nc1ccc2cc(cc(
    c2c1)O)C(=O)OC)\NC[C@@H]3[C@H]([C@H]([C@
    @H](O3)n4cnc5c4ncnc5N)O)O; COC(=O)c1cc(O
    )c2cc(NC(=O)NCCCCCNC(=N)NC[C@H]3O[C@H]([
    C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)ccc2c1    		 methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
    27684 LSL
    CHEMBL5208990    		 1 C13 H14 N2 O2 S InChI=1S/C13H14N2O2S/c16-
    13(15-17)12-3-1-10(2-4-12
    )7-14-8-11-5-6-18-9-11/h1
    -6,9,14,17H,7-8H2,(H,15,1
    6);
    UUYNWXQYZUGELG-UHFFFAOYSA-N    		 ONC(=O)c1ccc(CNCc2cscc2)cc1; ONC(=O)c1cc
    c(CNCc2ccsc2)cc1; c1cc(ccc1CNCc2ccsc2)C(
    =O)NO    		 N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
    27685 LSM 5 C24 H46 O10 Se InChI=1S/C24H46O10Se/c1-2
    -3-4-5-6-7-8-9-10-11-12-3
    5-24-21(31)19(29)22(16(14
    -26)33-24)34-23-20(30)18(
    28)17(27)15(13-25)32-23/h
    15-31H,2-14H2,1H3/t15-,16
    -,17-,18+,19-,20-,21-,22-
    ,23-,24+/m1/s1;
    MEIBWTYMLPEGMV-ALYNCGSASA-N    		 CCCCCCCCCCCC[Se][CH]1O[CH](CO)[CH](O[CH]
    2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[C
    H]1O; CCCCCCCCCCCC[Se]C1C(C(C(C(O1)CO)OC
    2C(C(C(C(O2)CO)O)O)O)O)O; CCCCCCCCCCCC[S
    e][C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](
    CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H
    ]1O; CCCCCCCCCCCC[Se][C@H]1[C@@H]([C@H](
    [C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H](
    [C@@H]([C@H](O2)CO)O)O)O)O)O; O(C1C(OC([
    Se]CCCCCCCCCCCC)C(O)C1O)CO)C2OC(C(O)C(O)
    C2O)CO    		 dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside;
    DODECYL-BETA-D-SELENOMALTOSIDE
    27686 LSN
    CHEMBL191
    DB00678
    ZINC000003873160    		 23 C22 H23 Cl N6 O InChI=1S/C22H23ClN6O/c1-2
    -3-8-20-24-21(23)19(14-30
    )29(20)13-15-9-11-16(12-1
    0-15)17-6-4-5-7-18(17)22-
    25-27-28-26-22/h4-7,9-12,
    30H,2-3,8,13-14H2,1H3,(H,
    25,26,27,28);
    PSIFNNKUMBGKDQ-UHFFFAOYSA-N    		 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]n
    n4)CO)Cl; CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)
    c3ccccc3c4n[nH]nn4    		 [2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol;
    Losartan
    27687 LSO
    ZINC000058660601    		 0 C16 H26 N2 O9 S InChI=1S/C16H26N2O9S/c17-
    13(16(24)25)3-1-2-8-18-11
    (4-6-14(20)21)9-28(26,27)
    10-12(19)5-7-15(22)23/h13
    H,1-10,17H2,(H,20,21)(H,2
    2,23)(H,24,25)/b18-11+/t1
    3-/m0/s1;
    VZZTXTHYLVASGB-FHXOWUIVSA-N    		 N[CH](CCCCN=C(CCC(O)=O)C[S](=O)(=O)CC(=O
    )CCC(O)=O)C(O)=O; N[C@@H](CCCCN=C(CCC(O)
    =O)C[S](=O)(=O)CC(=O)CCC(O)=O)C(O)=O; C(
    CCN=C(CCC(=O)O)CS(=O)(=O)CC(=O)CCC(=O)O)
    CC(C(=O)O)N; C(CC/N=C(\CCC(=O)O)/CS(=O)(
    =O)CC(=O)CCC(=O)O)C[C@@H](C(=O)O)N; O=S(
    =O)(C/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CC(=O
    )CCC(=O)O    		 (Z)-N~6~-(3-CARBOXY-1-{[(4-CARBOXY-2-OXOBUTYL)SULFONYL]METHYL}PROPYLIDENE)-L-LYSINE;
    2-AMINO-6-[3-CARBOXY-2-OXO-BUTANE-1-SULFONYLMETHYL-PROPYLIDENEAMINO]-HEXANOIC ACID
    27688 LSP
    DB04731    		 0 C7 H17 N O7 P InChI=1S/C7H16NO7P/c1-6(9
    )13-4-7(10)5-15-16(11,12)
    14-3-2-8/h7,10H,2-5,8H2,1
    H3,(H,11,12)/p+1/t7-/m0/s
    1;
    CWRILEGKIAOYKP-ZETCQYMHSA-O    		 CC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[NH3+])O
    ; CC(=O)OC[CH](O)CO[P](O)(=O)OCC[NH3+];
    CC(=O)OC[C@H](O)CO[P@](O)(=O)OCC[NH3+];
    O=C(OCC(O)COP(=O)(OCC[NH3+])O)C; CC(=O)O
    CC(COP(=O)(O)OCC[NH3+])O    		 (7S)-4,7-DIHYDROXY-10-OXO-3,5,9-TRIOXA-4-PHOSPHAUNDECAN-1-AMINIUM 4-OXIDE;
    1-ACETYL-2-LYSO-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
    27689 LSQ
    CHEMBL4450225
    ZINC000000334870    		 1 C9 H9 Cl O2 InChI=1S/C9H9ClO2/c10-8-3
    -1-2-7(6-8)4-5-9(11)12/h1
    -3,6H,4-5H2,(H,11,12);
    CLTDVBQNUHHYCA-UHFFFAOYSA-N    		 OC(=O)CCc1cccc(Cl)c1; c1cc(cc(c1)Cl)CCC(
    =O)O    		 3-(3-chlorophenyl)propanoic acid
    27690 LSR
    DB08127
    ZINC000058639152    		 6 C15 H24 InChI=1S/C15H24/c1-6-12(2
    )9-10-14-13(3)8-7-11-15(1
    4,4)5/h6,9-10H,7-8,11H2,1
    -5H3/b10-9+,12-6+;
    KUEVAPFABUUVHS-AYCKBHPDSA-N    		 C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C; C\C=C(C)
    \C=C\C1=C(C)CCCC1(C)C; CC=C(C)C=CC1=C(C)
    CCCC1(C)C; CC=C(C)C=CC1=C(CCCC1(C)C)C; C
    (/C1=C(CCCC1(C)C)C)=C\C(=C\C)C    		 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene
    27691 LSS
    CHEMBL1163081
    ZINC000033821383    		 19 C16 H25 N7 O7 S InChI=1S/C16H25N7O7S/c1-7
    (2)3-8(17)15(26)22-31(27,
    28)29-4-9-11(24)12(25)16(
    30-9)23-6-21-10-13(18)19-
    5-20-14(10)23/h5-9,11-12,
    16,24-25H,3-4,17H2,1-2H3,
    (H,22,26)(H2,18,19,20)/t8
    -,9+,11+,12+,16+/m0/s1;
    XFEDFDTWJLGMBO-LEJQEAHTSA-N    		 CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@
    H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N;
    CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2c
    nc3c2ncnc3N)O)O)N; O=C(NS(=O)(=O)OCC3OC(
    n2cnc1c(ncnc12)N)C(O)C3O)C(N)CC(C)C; CC(
    C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH](
    [CH](O)[CH]1O)n2cnc3c(N)ncnc23; CC(C)C[C
    @H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C
    @H](O)[C@@H]1O)n2cnc3c(N)ncnc23    		 5'-O-(L-leucylsulfamoyl)adenosine;
    5-O-N-LEUCYL-SULFAMOYLADENOSINE
    27692 LST
    ZINC000584905615    		 0 C12 H18 N3 O10 P S InChI=1S/C12H18N3O10PS/c1
    -6-3-15(11(18)13-9(6)17)1
    0-7-8(16)12(25-10,4-24-26
    (19,20)21)5-27(22,23)14(7
    )2/h3,7-8,10,16H,4-5H2,1-
    2H3,(H,13,17,18)(H2,19,20
    ,21)/t7-,8+,10-,12+/m1/s1;
    GLEXYOQXMPFGCY-CCCLYZFWSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@
    @](O2)(CS(=O)(=O)N3C)COP(=O)(O)O)O; CN1[
    C@@H]2[C@H](O)[C@](CO[P](O)(O)=O)(C[S]1(
    =O)=O)O[C@H]2N3C=C(C)C(=O)NC3=O; CC1=CN(
    C(=O)NC1=O)C2C3C(C(O2)(CS(=O)(=O)N3C)COP
    (=O)(O)O)O; CN1[CH]2[CH](O)[C](CO[P](O)(
    O)=O)(C[S]1(=O)=O)O[CH]2N3C=C(C)C(=O)NC3
    =O    		 [(1R,5R,7R,8S)-2-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate
    27693 LSU
    CHEMBL4467328    		 1 C15 H24 N4 O9 S InChI=1S/C15H24N4O9S/c1-7
    (2)5-8(16)13(23)18-29(25,
    26)27-6-9-11(21)12(22)14(
    28-9)19-4-3-10(20)17-15(1
    9)24/h3-4,7-9,11-12,14,21
    -22H,5-6,16H2,1-2H3,(H,18
    ,23)(H,17,20,24)/t8-,9+,1
    1+,12+,14+/m0/s1;
    ZSXZGQLSAQIVTI-XKYXEJCGSA-N    		 CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[C
    H]([CH](O)[CH]1O)N2C=CC(=O)NC2=O; CC(C)C
    [C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@
    H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N; CC(C
    )C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H
    ]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O; CC(C
    )CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=CC(=
    O)NC2=O)O)O)N    		 5'-O-(N-(L-Leucyl)-Sulfamoyl)Uridine
    27694 LSV
    CHEMBL4466517    		 4 C21 H23 N5 O4 InChI=1S/C21H23N5O4/c1-21
    (13-27)11-14-9-16(17(10-1
    8(14)30-21)25-5-7-29-8-6-
    25)24-20(28)15-12-23-26-4
    -2-3-22-19(15)26/h2-4,9-1
    0,12,27H,5-8,11,13H2,1H3,
    (H,24,28)/t21-/m1/s1;
    JLKSBHRAVFWETB-OAQYLSRUSA-N    		 CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c
    4nccc5)CO; c45cc(NC(c1c2n(nc1)cccn2)=O)c
    (N3CCOCC3)cc4OC(C5)(C)CO; C[C@]1(CO)Cc2c
    c(NC(=O)c3cnn4cccnc34)c(cc2O1)N5CCOCC5;
    C[C]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2
    O1)N5CCOCC5; C[C@@]1(Cc2cc(c(cc2O1)N3CCO
    CC3)NC(=O)c4cnn5c4nccc5)CO    		 N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
    27695 LSW
    CHEMBL212710
    ZINC000034867476    		 1 C27 H34 N4 O5 InChI=1S/C27H34N4O5/c28-1
    5-7-6-12-22(30-23(26(33)3
    4)14-13-18-8-2-1-3-9-18)2
    5(32)31-24(27(35)36)16-19
    -17-29-21-11-5-4-10-20(19
    )21/h1-5,8-11,17,22-24,29
    -30H,6-7,12-16,28H2,(H,31
    ,32)(H,33,34)(H,35,36)/t2
    2-,23-,24-/m0/s1;
    JXNGDSIPMBNTNL-HJOGWXRNSA-N    		 NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N
    [CH](Cc2c[nH]c3ccccc23)C(O)=O; c1ccc(cc1
    )CCC(C(=O)O)NC(CCCCN)C(=O)NC(Cc2c[nH]c3c
    2cccc3)C(=O)O; NCCCC[C@H](N[C@@H](CCc1cc
    ccc1)C(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc
    23)C(O)=O; c1ccc(cc1)CC[C@@H](C(=O)O)N[C
    @@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3c2cccc
    3)C(=O)O    		 N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-tryptophan
    27696 LSX
    ZINC000219081495    		 2 C12 H18 N O6 P InChI=1S/C12H18NO6P/c1-13
    (15)12(14)8-7-11(20(16,17
    )18)9-3-5-10(19-2)6-4-9/h
    3-6,11,15H,7-8H2,1-2H3,(H
    2,16,17,18)/t11-/m0/s1;
    VLBYPFQOJHBTHH-NSHDSACASA-N    		 COc1ccc(cc1)[C@H](CCC(=O)N(C)O)[P](O)(O)
    =O; O=P(O)(O)C(c1ccc(OC)cc1)CCC(=O)N(O)C
    ; CN(C(=O)CC[C@@H](c1ccc(cc1)OC)P(=O)(O)
    O)O; CN(C(=O)CCC(c1ccc(cc1)OC)P(=O)(O)O)
    O; COc1ccc(cc1)[CH](CCC(=O)N(C)O)[P](O)(
    O)=O    		 [(1S)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid
    27697 LSY
    ZINC000001649176    		 1 C6 H14 N4 O2 InChI=1S/C6H14N4O2/c1-9(2
    )5(11)7-8-6(12)10(3)4/h1-
    4H3,(H,7,11)(H,8,12);
    RAUKYARZDOSMOO-UHFFFAOYSA-N    		 CN(C)C(=O)NNC(=O)N(C)C; CN(C)C(NNC(=O)N(
    C)C)=O    		 N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide
    27698 LSZ 1 C32 H36 N6 O5 InChI=1S/C32H36N6O5/c1-5-
    42-29-8-6-22(21(2)39)19-2
    8(29)34-31(40)24-16-23(27
    -10-11-37(4)35-27)17-25(1
    8-24)33-32(41)30-9-7-26(4
    3-30)20-38-14-12-36(3)13-
    15-38/h6-11,16-19H,5,12-1
    5,20H2,1-4H3,(H,33,41)(H,
    34,40);
    UOPWJMNPOBVGRX-UHFFFAOYSA-N    		 CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccc
    (o3)CN4CCN(CC4)C)c5ccn(n5)C)C(=O)C; CCOc
    1ccc(cc1NC(=O)c2cc(NC(=O)c3oc(CN4CCN(C)C
    C4)cc3)cc(c2)c5ccn(C)n5)C(C)=O    		 ~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
    27699 LT0 1 C14 H17 N3 O4 InChI=1S/C14H17N3O4/c15-1
    0(13(19)17-12(7-18)14(20)
    21)5-8-6-16-11-4-2-1-3-9(
    8)11/h1-4,6,10,12,16,18H,
    5,7,15H2,(H,17,19)(H,20,2
    1)/t10-,12+/m1/s1;
    MYVYPSWUSKCCHG-PWSUYJOCSA-N    		 N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](CO)C(
    O)=O; N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@
    @H](CO)C(O)=O; c1ccc2c(c1)c(c[nH]2)CC(C(
    =O)NC(CO)C(=O)O)N; c1ccc2c(c1)c(c[nH]2)C
    [C@H](C(=O)N[C@@H](CO)C(=O)O)N    		 D-tryptophyl-L-serine;
    (2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid;
    D-Trp-Ser dipeptide
    27700 LT1
    CHEMBL1234093
    ZINC000001747835    		 1 C9 H11 Cl InChI=1S/C9H11Cl/c10-8-4-
    7-9-5-2-1-3-6-9/h1-3,5-6H
    ,4,7-8H2;
    XZBXAYCCBFTQHH-UHFFFAOYSA-N    		 c1ccc(cc1)CCCCl; ClCCCc1ccccc1 (3-chloropropyl)benzene
    27701 LT2 2 C8 H7 N O3 InChI=1S/C8H7NO3/c10-6-1-
    4-5(2-7(6)11)9-3-8(4)12/h
    1-2,8-9,12H,3H2/t8-/m1/s1;
    LXXQZMIOKXLXPT-MRVPVSSYSA-N    		 C1C(C2=CC(=O)C(=O)C=C2N1)O; O[CH]1CNC2=C
    C(=O)C(=O)C=C12; O=C1C=C2C(=CC1=O)NCC2O;
    O[C@@H]1CNC2=CC(=O)C(=O)C=C12; C1[C@H](
    C2=CC(=O)C(=O)C=C2N1)O    		 (3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione
    27702 LT3
    ZINC000026290186    		 2 C12 H12 F3 N InChI=1S/C12H12F3N/c13-12
    (14,15)9-3-1-2-6-7-4-5-8(
    10(6)9)11(7)16/h1-3,7-8,1
    1H,4-5,16H2/t7-,8+,11-/m0
    /s1;
    HHIJEPNAHYLKPE-RNSXUZJQSA-N    		 N[C@H]1[C@H]2CC[C@@H]1c3c2cccc3C(F)(F)F;
    c1cc2c(c(c1)C(F)(F)F)C3CCC2C3N; c1cc2c(
    c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N; N
    [CH]1[CH]2CC[CH]1c3c2cccc3C(F)(F)F; FC(F
    )(F)c1cccc2c1C3CCC2C3N    		 (1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine
    27703 LT4 0 C8 H11 N O3 InChI=1S/C8H11NO3/c9-4-8(
    12)5-1-2-6(10)7(11)3-5/h1
    -3,8,10-12H,4,9H2/t8-/m0/
    s1;
    SFLSHLFXELFNJZ-QMMMGPOBSA-N    		 c1cc(c(cc1[C@H](CN)O)O)O; NC[CH](O)c1ccc
    (O)c(O)c1; c1cc(c(cc1C(CN)O)O)O; Oc1ccc(
    cc1O)C(O)CN; NC[C@H](O)c1ccc(O)c(O)c1    		 Norepinephrine;
    Noradrenaline
    27704 LT5
    DB08129
    ZINC000001566179    		 2 C9 H10 F3 N O InChI=1S/C9H10F3NO/c10-9(
    11,12)7-3-1-2-6(4-7)8(14)
    5-13/h1-4,8,14H,5,13H2/t8
    -/m0/s1;
    RRBRWAPWPGAJMA-QMMMGPOBSA-N    		 c1cc(cc(c1)C(F)(F)F)C(CN)O; NC[CH](O)c1c
    ccc(c1)C(F)(F)F; NC[C@H](O)c1cccc(c1)C(F
    )(F)F; c1cc(cc(c1)C(F)(F)F)[C@H](CN)O; F
    C(F)(F)c1cccc(c1)C(O)CN    		 (1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol;
    3-Trifluoromethyl phenylethanolamine
    27705 LT6
    CHEMBL1091916
    ZINC000049072695    		 2 C23 H29 F N2 O4 InChI=1S/C23H29FN2O4/c1-3
    -4-13-26(2)23(29)22-19(24
    )11-8-12-20(22)30-16-21(2
    8)25-18(15-27)14-17-9-6-5
    -7-10-17/h5-12,18,27H,3-4
    ,13-16H2,1-2H3,(H,25,28)/
    t18-/m0/s1;
    XFQXPLKWVDQXAD-SFHVURJKSA-N    		 CCCCN(C)C(=O)c1c(F)cccc1OCC(=O)N[CH](CO)
    Cc2ccccc2; CCCCN(C)C(=O)c1c(cccc1F)OCC(=
    O)NC(Cc2ccccc2)CO; CCCCN(C)C(=O)c1c(cccc
    1F)OCC(=O)N[C@@H](Cc2ccccc2)CO; CCCCN(C)
    C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc2cccc
    c2    		 2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide
    27706 LT7
    ZINC000000564327    		 1 C13 H17 N3 O InChI=1S/C13H17N3O/c1-9(2
    )14-8-12-15-13(16-17-12)1
    1-6-4-10(3)5-7-11/h4-7,9,
    14H,8H2,1-3H3;
    XQOSNFJUNZPHAW-UHFFFAOYSA-N    		 CC(C)NCc1onc(n1)c2ccc(C)cc2; Cc1ccc(cc1)
    c2nc(on2)CNC(C)C    		 ~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
    27707 LT8
    CHEMBL4550663
    ZINC000002506147    		 1 C10 H8 N2 O2 InChI=1S/C10H8N2O2/c13-10
    (14)8-4-1-2-5-9(8)12-7-3-
    6-11-12/h1-7H,(H,13,14);
    MHACZVWKWUMHRR-UHFFFAOYSA-N    		 OC(=O)c1ccccc1n2cccn2; c1ccc(c(c1)C(=O)O
    )n2cccn2    		 2-pyrazol-1-ylbenzoic acid
    27708 LT9 1 C17 H15 Cl N2 O2 InChI=1S/C17H15ClN2O2/c1-
    11-5-6-19-10-15(11)20-16(
    22)17(8-14(21)9-17)12-3-2
    -4-13(18)7-12/h2-7,10H,8-
    9H2,1H3,(H,20,22);
    NYGOHBKHNOCJCL-UHFFFAOYSA-N    		 O=C(Nc1cnccc1C)C1(CC(=O)C1)c1cccc(Cl)c1;
    Cc1ccncc1NC(=O)C2(CC(=O)C2)c3cccc(c3)Cl
    ; Cc1ccncc1NC(=O)C2(CC(=O)C2)c3cccc(Cl)c
    3    		 1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)-3-oxocyclobutane-1-carboxamide
    27709 LTA
    ZINC000006439128    		 0 C10 H22 N2 O3 InChI=1S/C10H22N2O3/c1-2-
    15-10(14)7-9(13)8(12)5-3-
    4-6-11/h8-9,13H,2-7,11-12
    H2,1H3/t8-,9-/m0/s1;
    YWYXVAACIALMCZ-IUCAKERBSA-N    		 CCOC(=O)CC(C(CCCCN)N)O; CCOC(=O)C[C@@H](
    [C@H](CCCCN)N)O; O=C(OCC)CC(O)C(N)CCCCN;
    CCOC(=O)C[CH](O)[CH](N)CCCCN; CCOC(=O)C
    [C@H](O)[C@@H](N)CCCCN    		 4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER;
    STATINE ANALOGUE
    27710 LTB
    CHEMBL65061
    DB12961
    ZINC000004623738    		 5 C20 H32 O4 InChI=1S/C20H32O4/c1-2-3-
    4-5-6-9-13-18(21)14-10-7-
    8-11-15-19(22)16-12-17-20
    (23)24/h6-11,14-15,18-19,
    21-22H,2-5,12-13,16-17H2,
    1H3,(H,23,24)/b8-7+,9-6-,
    14-10+,15-11-/t18-,19-/m1
    /s1;
    VNYSSYRCGWBHLG-AMOLWHMGSA-N    		 CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O; CCC
    CC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O
    )O)O)O; O=C(O)CCCC(O)\C=C/C=C/C=C/C(O)C\
    C=C/CCCCC; CCCCCC=CC[CH](O)C=CC=CC=C[CH]
    (O)CCCC(O)=O; CCCCC\C=C/C[C@@H](O)\C=C\C
    =C\C=C/[C@@H](O)CCCC(O)=O    		 LEUKOTRIENE B4
    27711 LTC
    ZINC000098209129    		 5 C39 H70 N2 O13 InChI=1S/C39H70N2O13/c1-5
    -7-9-11-12-13-14-15-16-17
    -18-20-22-31(45)52-28(24-
    49-30(44)21-19-10-8-6-2)2
    5-50-39-36(48)37(34(46)29
    (23-42)53-39)54-38-33(41-
    27(4)43)35(47)32(40)26(3)
    51-38/h14-15,26,28-29,32-
    39,42,46-48H,5-13,16-25,4
    0H2,1-4H3,(H,41,43)/b15-1
    4-/t26-,28-,29-,32+,33-,3
    4-,35+,36-,37+,38+,39+/m1
    /s1;
    PANDRCFROUDETH-PVQRVOPISA-N    		 O=C(NC2C(O)C(N)C(OC2OC1C(O)C(OC(OCC(OC(=
    O)CCCCC\C=C/CCCCCCC)COC(=O)CCCCCC)C1O)CO
    )C)C; CCCCCCCC=CCCCCCC(=O)OC(COC1C(C(C(C
    (O1)CO)O)OC2C(C(C(C(O2)C)N)O)NC(=O)C)O)C
    OC(=O)CCCCCC; CCCCCCCC=CCCCCCC(=O)O[CH](
    CO[CH]1O[CH](CO)[CH](O)[CH](O[CH]2O[CH](
    C)[CH](N)[CH](O)[CH]2NC(C)=O)[CH]1O)COC(
    =O)CCCCCC; CCCCCCCC=CCCCCCC(=O)O[C@@H](C
    O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)
    O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)N
    )O)NC(=O)C)O)COC(=O)CCCCCC; CCCCCCC\C=C/
    CCCCCC(=O)O[C@@H](CO[C@H]1O[C@H](CO)[C@@
    H](O)[C@H](O[C@@H]2O[C@H](C)[C@H](N)[C@H
    ](O)[C@H]2NC(C)=O)[C@H]1O)COC(=O)CCCCCC    		 (2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate;
    Lipoteichoic acid
    27712 LTD
    CHEMBL288943
    DB11858
    ZINC000004632133    		 1 C25 H40 N2 O6 S InChI=1S/C25H40N2O6S/c1-2
    -3-4-5-6-7-8-9-10-11-12-1
    3-16-22(21(28)15-14-17-23
    (29)30)34-19-20(26)25(33)
    27-18-24(31)32/h6-7,9-13,
    16,20-22,28H,2-5,8,14-15,
    17-19,26H2,1H3,(H,27,33)(
    H,29,30)(H,31,32)/b7-6-,1
    0-9-,12-11+,16-13+/t20-,2
    1-,22+/m0/s1;
    YEESKJGWJFYOOK-IJHYULJSSA-N    		 CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N
    )C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O; CCCCC
    C=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NC
    C(=O)O)N; CCCCC/C=C\C/C=C\C=C\C=C\[C@H](
    [C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O
    )N; CCCCCC=CCC=CC=CC=C[CH](SC[CH](N)C(=O
    )NCC(O)=O)[CH](O)CCCC(O)=O    		 (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
    27713 LTE 0 C18 H29 N9 O5 InChI=1S/C18H29N9O5/c19-9
    (17(30)31)3-1-5-22-18(21)
    23-6-2-4-10-12(28)13(29)1
    6(32-10)27-8-26-11-14(20)
    24-7-25-15(11)27/h7-10,12
    -13,16,28-29H,1-6,19H2,(H
    ,30,31)(H2,20,24,25)(H3,2
    1,22,23)/t9-,10+,12+,13+,
    16+/m0/s1;
    BMAYSUQGGXYXQD-UOYPZJKHSA-N    		 N[CH](CCCNC(=N)NCCC[CH]1O[CH]([CH](O)[CH
    ]1O)n2cnc3c(N)ncnc23)C(O)=O; N[C@@H](CCC
    NC(=N)NCCC[C@H]1O[C@H]([C@H](O)[C@@H]1O)
    n2cnc3c(N)ncnc23)C(O)=O; c1nc(c2c(n1)n(c
    n2)C3C(C(C(O3)CCCNC(=N)NCCCC(C(=O)O)N)O)
    O)N; [H]/N=C(/NCCC[C@@H]1[C@H]([C@H]([C@
    @H](O1)n2cnc3c2ncnc3N)O)O)\NCCC[C@@H](C(
    =O)O)N    		 1-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]guanidine
    27714 LTF
    CHEMBL107313
    ZINC000003821308    		 2 C15 H20 N2 O5 InChI=1S/C15H20N2O5/c1-4-
    5-9-6-10(7-12(20-2)13(9)2
    1-3)15-16-11(8-22-15)14(1
    8)17-19/h6-7,11,19H,4-5,8
    H2,1-3H3,(H,17,18)/t11-/m
    1/s1;
    DGGKRIGJIQRXQD-LLVKDONJSA-N    		 CCCc1cc(cc(c1OC)OC)C2=NC(CO2)C(=O)NO; CC
    Cc1cc(cc(OC)c1OC)C2=N[CH](CO2)C(=O)NO; C
    CCc1cc(cc(OC)c1OC)C2=N[C@H](CO2)C(=O)NO;
    CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)N
    O; O=C(NO)C1N=C(OC1)c2cc(OC)c(OC)c(c2)CC
    C    		 (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
    27715 LTG
    ZINC000100006629    		 5 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h3,5-
    9,11-12H,1-2H2/t3-,5+,6-/
    m0/s1;
    BJHIKXHVCXFQLS-LFRDXLMFSA-N    		 C([C@@H]([C@H]([C@H](C(=O)CO)O)O)O)O; O=
    C(C(O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O)O
    )O)O; OC[C@H](O)[C@@H](O)[C@@H](O)C(=O)C
    O; OC[CH](O)[CH](O)[CH](O)C(=O)CO    		 L-tagatose
    27716 LTH
    CHEMBL2152047
    DB11192
    ZINC000000901061    		 2 C4 H8 O5 InChI=1S/C4H8O5/c5-1-2(6)
    3(7)4(8)9/h2-3,5-7H,1H2,(
    H,8,9)/t2-,3+/m0/s1;
    JPIJQSOTBSSVTP-STHAYSLISA-N    		 OC[CH](O)[CH](O)C(O)=O; O=C(O)C(O)C(O)CO
    ; OC[C@H](O)[C@@H](O)C(O)=O; C(C(C(C(=O)
    O)O)O)O; C([C@@H]([C@H](C(=O)O)O)O)O    		 (2R,3S)-2,3,4-trihydroxybutanoic acid;
    L-Threonic acid
    27717 LTI
    ZINC000103548884    		 1 C16 H18 N4 O2 S2 InChI=1S/C16H18N4O2S2/c17
    -13(21)12-14(19-16(18)22)
    24-20-15(12)23-11-8-4-2-6
    -9-5-1-3-7-10(9)11/h1,3,5
    ,7,11,20H,2,4,6,8H2,(H2,1
    7,21)(H2,18,22)/b19-14-/t
    11-/m1/s1;
    BLCWVDAFBKECPI-PFMFLNCGSA-N    		 c1ccc2c(c1)CCCCC2SC3=C(C(=NC(=O)N)SN3)C(
    =O)N; c1ccc2c(c1)CCCC[C@H]2SC3=C(/C(=N/C
    (=O)N)/SN3)C(=O)N; NC(=O)N=C1SNC(=C1C(N)
    =O)S[CH]2CCCCc3ccccc23; NC(=O)N=C1SNC(=C
    1C(N)=O)S[C@@H]2CCCCc3ccccc23; O=C(/N=C3
    \SNC(SC2c1ccccc1CCCC2)=C3C(=O)N)N    		 (5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide
    27718 LTJ 2 C20 H25 F N4 O2 InChI=1S/C20H25FN4O2/c1-4
    -6-16(26)24-13-7-5-8-25(1
    0-13)19-15(21)9-14(20(22)
    27)18-17(19)11(2)12(3)23-
    18/h4,6,9,13,23H,5,7-8,10
    H2,1-3H3,(H2,22,27)(H,24,
    26)/b6-4+/t13-/m0/s1;
    BCSXUDNOTSZTNK-BPJJOFIESA-N    		 C3(CCCN(c1c2c(c(cc1F)C(=O)N)nc(C)c2C)C3)
    NC(C=[C@H]C)=O; CC=CC(=O)NC1CCCN(C1)c2c(
    cc(c3c2c(c([nH]3)C)C)C(=O)N)F; C/C=C/C(=
    O)N[C@H]1CCCN(C1)c2c(F)cc(C(N)=O)c3[nH]c
    (C)c(C)c23; C/C=C/C(=O)N[C@H]1CCCN(C1)c2
    c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F; CC=CC(=
    O)N[CH]1CCCN(C1)c2c(F)cc(C(N)=O)c3[nH]c(
    C)c(C)c23    		 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
    27719 LTK
    CHEMBL4435863    		 1 C16 H15 Cl N2 O2 S2 InChI=1S/C16H15ClN2O2S2/c
    1-10-14-8-12(17)5-6-15(14
    )22-16(10)23(20,21)19-13-
    4-2-3-11(7-13)9-18/h2-8,1
    9H,9,18H2,1H3;
    OMVVAHZLDYMIPY-UHFFFAOYSA-N    		 Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl
    ; Cc1c2cc(Cl)ccc2sc1[S](=O)(=O)Nc3cccc(C
    N)c3    		 ~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide
    27720 LTL
    DB03711    		 1 C8 H16 O2 InChI=1S/C8H16O2/c1-4-7(9
    )5-6-8(2,3)10/h10H,4-6H2,
    1-3H3;
    FGPMBONEKHYAHO-UHFFFAOYSA-N    		 CCC(=O)CCC(C)(C)O; O=C(CC)CCC(O)(C)C 6-HYDROXY-6-METHYL-HEPTAN-3-ONE
    27721 LTM
    ZINC000095920947    		 2 C8 H14 N2 O5 InChI=1S/C8H14N2O5/c1-3(1
    2)9-5-7(14)6(13)4(2-11)10
    -8(5)15/h4-7,11,13-14H,2H
    2,1H3,(H,9,12)(H,10,15)/t
    4-,5-,6-,7-/m1/s1;
    DLGBPZFGIMUEIM-DBRKOABJSA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)C
    O)O)O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO
    )NC1=O; CC(=O)NC1C(C(C(NC1=O)CO)O)O; O=C
    1NC(CO)C(O)C(O)C1NC(=O)C; CC(=O)N[C@@H]1
    [C@@H](O)[C@H](O)[C@@H](CO)NC1=O    		 N-ACETYL GLUCONOLACTAM
    27722 LTN
    CHEMBL227123
    DB04537
    ZINC000000057505    		 7 C11 H13 N3 O InChI=1S/C11H13N3O/c12-9(
    11(13)15)5-7-6-14-10-4-2-
    1-3-8(7)10/h1-4,6,9,14H,5
    ,12H2,(H2,13,15)/t9-/m0/s
    1;
    JLSKPBDKNIXMBS-VIFPVBQESA-N    		 c1ccc2c(c1)c(c[nH]2)CC(C(=O)N)N; O=C(N)C
    (N)Cc2c1ccccc1nc2; N[C@@H](Cc1c[nH]c2ccc
    cc12)C(N)=O; N[CH](Cc1c[nH]c2ccccc12)C(N
    )=O; c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)
    N    		 L-TRYPTOPHANAMIDE
    27723 LTO
    CHEMBL5207713    		 1 C18 H23 N3 O2 InChI=1S/C18H23N3O2/c22-1
    8(20-23)6-5-14-7-10-21(11
    -8-14)12-9-15-13-19-17-4-
    2-1-3-16(15)17/h1-6,13-14
    ,19,23H,7-12H2,(H,20,22)/
    b6-5+;
    ULPMTANVOCUWOD-AATRIKPKSA-N    		 c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)C=CC(=O)
    NO; ONC(=O)/C=C/C1CCN(CCc2c[NH]c3ccccc23
    )CC1; c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)/C
    =C/C(=O)NO; ONC(=O)\C=C\C1CCN(CC1)CCc2c[
    nH]c3ccccc23; ONC(=O)C=CC1CCN(CC1)CCc2c[
    nH]c3ccccc23    		 (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide
    27724 LTP
    ZINC000013435046    		 2 C9 H15 N3 O10 P2 InChI=1S/C9H15N3O10P2/c10
    -7-1-2-12(9(14)11-7)8-3-5
    (13)6(21-8)4-20-24(18,19)
    22-23(15,16)17/h1-2,5-6,8
    ,13H,3-4H2,(H,18,19)(H2,1
    0,11,14)(H2,15,16,17)/t5-
    ,6+,8+/m1/s1;
    FTDHDKPUHBLBTL-CHKWXVPMSA-N    		 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O
    )(O)O)O; C1[C@H]([C@@H](O[C@@H]1N2C=CC(=
    NC2=O)N)COP(=O)(O)OP(=O)(O)O)O; NC1=NC(=
    O)N(C=C1)[C@@H]2C[C@@H](O)[C@H](CO[P](O)
    (=O)O[P](O)(O)=O)O2; NC1=NC(=O)N(C=C1)[C
    H]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O
    )O2; O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C
    (N)C=C1)CC2O    		 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one
    27725 LTQ
    CHEMBL3770935
    ZINC000263621088    		 2 C16 H21 N5 O4 S2 InChI=1S/C16H21N5O4S2/c1-
    12-8-13(9-17)2-3-14(12)19
    -4-6-20(7-5-19)27(24,25)2
    1-11-26-10-15(21)16(22)18
    -23/h2-3,8,15,23H,4-7,10-
    11H2,1H3,(H,18,22)/t15-/m
    1/s1;
    UGVOWFLXYXPRQV-OAHLLOKOSA-N    		 Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N3CSCC3C(=O
    )NO)C#N; O=C(NO)C1CSCN1S(=O)(N2CCN(CC2)c
    3c(cc(cc3)C#N)C)=O; Cc1cc(ccc1N2CCN(CC2)
    [S](=O)(=O)N3CSC[C@@H]3C(=O)NO)C#N; Cc1c
    c(ccc1N2CCN(CC2)[S](=O)(=O)N3CSC[CH]3C(=
    O)NO)C#N; Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N
    3CSC[C@@H]3C(=O)NO)C#N    		 (4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide
    27726 LTR 0 C11 H12 N2 O2 InChI=1/C11H12N2O2/c12-9(
    11(14)15)5-7-6-13-10-4-2-
    1-3-8(7)10/h1-4,6,9,13H,5
    ,12H2,(H,14,15)/t9-/m0/s1
    /f/h14H;
    QIVBCDIJIAJPQS-FKOBDKTLDJ    		 O=C(O)C(N)Cc2c1ccccc1nc2; c1ccc2c(c1)c(c
    [nH]2)C[C@@H](C(=O)O)N; c1ccc2c(c1)c(c[n
    H]2)CC(C(=O)O)N; N[CH](Cc1c[nH]c2ccccc12
    )C(O)=O; N[C@@H](Cc1c[nH]c2ccccc12)C(O)=
    O    		 L-TRYPTOPHAN
    27727 LTS
    CHEMBL3098609
    ZINC000095920724    		 2 C21 H16 F3 N5 O3 S InChI=1S/C21H16F3N5O3S/c2
    2-21(23,24)32-17-2-1-3-19
    (12-17)33(30,31)18-6-4-15
    (5-7-18)13-27-20(28-14-25
    )29-16-8-10-26-11-9-16/h1
    -12H,13H2,(H2,26,27,28,29
    );
    OSHZYJJYBZWSLR-UHFFFAOYSA-N    		 FC(F)(F)Oc1cccc(c1)[S](=O)(=O)c2ccc(CNC(
    Nc3ccncc3)=NC#N)cc2; c1cc(cc(c1)S(=O)(=O
    )c2ccc(cc2)CN/C(=N\C#N)/Nc3ccncc3)OC(F)(
    F)F; FC(F)(F)Oc1cc(ccc1)S(=O)(=O)c2ccc(c
    c2)CN/C(=N\C#N)Nc3ccncc3; c1cc(cc(c1)S(=
    O)(=O)c2ccc(cc2)CNC(=NC#N)Nc3ccncc3)OC(F
    )(F)F    		 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine
    27728 LTT
    CHEMBL359164
    DB04961
    ZINC000001642845    		 2 C8 H11 N3 O4 InChI=1S/C8H11N3O4/c9-5-1
    -2-11(8(13)10-5)6-4-14-7(
    3-12)15-6/h1-2,6-7,12H,3-
    4H2,(H2,9,10,13)/t6-,7-/m
    0/s1;
    RXRGZNYSEHTMHC-BQBZGAKWSA-N    		 C1C(OC(O1)CO)N2C=CC(=NC2=O)N; O=C1N=C(N)
    C=CN1C2OC(OC2)CO; C1[C@H](O[C@H](O1)CO)N
    2C=CC(=NC2=O)N; NC1=NC(=O)N(C=C1)[C@@H]2
    CO[C@H](CO)O2; NC1=NC(=O)N(C=C1)[CH]2CO[
    CH](CO)O2    		 4-AMINO-1-[(2S,4S)-2-(HYDROXYMETHYL)-1,3-DIOXOLAN-4-YL]PYRIMIDIN-2(1H)-ONE;
    (-)-L-2',3'-DIDEOXY-3'-OXACYTIDINE;
    TROXACITABINE;
    TROXATYL
    27729 LTU 0 C16 H20 N2 O4 InChI=1S/C16H20N2O4/c1-16
    (2,12-8-22-12)18-7-10(14(
    19)13(17)15(20)21)9-5-3-4
    -6-11(9)18/h3-7,12-14,19H
    ,8,17H2,1-2H3,(H,20,21)/t
    12-,13+,14-/m1/s1;
    RPWCRDPTKUYOFA-HZSPNIEDSA-N    		 CC(C)([C@H]1CO1)n2cc(c3c2cccc3)[C@H]([C@
    @H](C(=O)O)N)O; CC(C)([CH]1CO1)n2cc([CH]
    (O)[CH](N)C(O)=O)c3ccccc23; CC(C)([C@H]1
    CO1)n2cc([C@@H](O)[C@H](N)C(O)=O)c3ccccc
    23; CC(C)(C1CO1)n2cc(c3c2cccc3)C(C(C(=O)
    O)N)O    		 2-Amino-3-hydroxy-3-[1-[2-(oxiran-2-yl)propan-2-yl]indol-3-yl]propanoic acid;
    (2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid
    27730 LTV 30 C46 H90 O5 InChI=1S/C46H90O5/c1-3-5-
    7-9-11-13-15-17-19-20-21-
    22-23-24-25-27-29-31-33-3
    5-37-39-41-46(49)51-43-44
    (47)42-50-45(48)40-38-36-
    34-32-30-28-26-18-16-14-1
    2-10-8-6-4-2/h44,47H,3-43
    H2,1-2H3/t44-/m0/s1;
    XHUXLZVWHLYNKB-SJARJILFSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC
    (=O)CCCCCCCCCCCCCCCCC)O; CCCCCCCCCCCCCCC
    CCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCC
    CCCCCCCCC; O=C(OCC(O)COC(=O)CCCCCCCCCCCC
    CCCCC)CCCCCCCCCCCCCCCCCCCCCCCC; CCCCCCCC
    CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC
    CCCCCCCCC)O; CCCCCCCCCCCCCCCCCCCCCCCCC(=
    O)OC[CH](O)COC(=O)CCCCCCCCCCCCCCCCC    		 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate
    27731 LTW 1 C31 H31 N5 O6 InChI=1S/C31H31N5O6/c1-20
    (37)21-5-6-27(42-11-9-36-
    16-31(17-36)18-40-19-31)2
    6(15-21)33-29(38)23-12-22
    (25-7-8-35(2)34-25)13-24(
    14-23)32-30(39)28-4-3-10-
    41-28/h3-8,10,12-15H,9,11
    ,16-19H2,1-2H3,(H,32,39)(
    H,33,38);
    VJMNNCAJWFIBNF-UHFFFAOYSA-N    		 CC(=O)c1ccc(c(c1)NC(=O)c2cc(cc(c2)NC(=O)
    c3ccco3)c4ccn(n4)C)OCCN5CC6(C5)COC6; Cn1
    ccc(n1)c2cc(NC(=O)c3occc3)cc(c2)C(=O)Nc4
    cc(ccc4OCCN5CC6(COC6)C5)C(C)=O    		 ~{N}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
    27732 LTX
    CHEMBL451509
    DB08855
    ZINC000004095814    		 12 C30 H47 N3 O9 S InChI=1S/C30H47N3O9S/c1-2
    -3-4-5-6-7-8-9-10-11-12-1
    3-16-25(24(34)15-14-17-27
    (36)37)43-21-23(29(40)32-
    20-28(38)39)33-26(35)19-1
    8-22(31)30(41)42/h6-7,9-1
    3,16,22-25,34H,2-5,8,14-1
    5,17-21,31H2,1H3,(H,32,40
    )(H,33,35)(H,36,37)(H,38,
    39)(H,41,42)/b7-6-,10-9-,
    12-11+,16-13+/t22-,23-,24
    -,25+/m0/s1;
    GWNVDXQDILPJIG-NXOLIXFESA-N    		 CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC
    (=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[
    C@@H](C(=O)O)N; CCCCC\C=C/C\C=C/C=C/C=C/
    [C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(
    =O)NCC(O)=O)[C@@H](O)CCCC(O)=O; CCCCCC=C
    CC=CC=CC=C[CH](SC[CH](NC(=O)CC[CH](N)C(O
    )=O)C(=O)NCC(O)=O)[CH](O)CCCC(O)=O; CCCC
    CC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)N
    CC(=O)O)NC(=O)CCC(C(=O)O)N    		 (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid;
    Leukotriene C4
    27733 LTY
    CHEMBL3950656    		 4 C22 H23 N7 O InChI=1S/C22H23N7O/c23-13
    -15-4-9-28(10-5-15)20-12-
    18-16(3-1-6-24-18)11-19(2
    0)27-22(30)17-14-26-29-8-
    2-7-25-21(17)29/h1-3,6-8,
    11-12,14-15H,4-5,9-10,13,
    23H2,(H,27,30);
    BFBOXYLGKAPSFY-UHFFFAOYSA-N    		 NCC1CCN(CC1)c2cc3ncccc3cc2NC(=O)c4cnn5cc
    cnc45; c4c(NC(c1c2n(nc1)cccn2)=O)c(N3CCC
    (CC3)CN)cc5c4cccn5; c1cc2cc(c(cc2nc1)N3C
    CC(CC3)CN)NC(=O)c4cnn5c4nccc5    		 N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
    27734 LTZ
    CHEMBL2398242
    ZINC000096908704    		 2 C36 H43 Cl2 N5 O3 S InChI=1S/C36H43Cl2N5O3S/c
    1-7-28-16-17-29(33(45)40-
    18-19-41(23(5)44)22(4)20-
    40)42(28)34(46)31-30(21(2
    )3)43-32(24-8-12-26(37)13
    -9-24)36(6,39-35(43)47-31
    )25-10-14-27(38)15-11-25/
    h8-15,21-22,28-29,32H,7,1
    6-20H2,1-6H3/t22-,28-,29+
    ,32-,36+/m1/s1;
    NYMONQQQYOURJF-GTVZXTIFSA-N    		 CCC1CCC(N1C(=O)C2=C(N3C(C(N=C3S2)(C)c4cc
    c(cc4)Cl)c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN(C
    (C6)C)C(=O)C; CC[C@@H]1CC[C@H](N1C(=O)C2
    =C(N3[C@@H]([C@](N=C3S2)(C)c4ccc(cc4)Cl)
    c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN([C@@H](C6)
    C)C(=O)C; CC[CH]1CC[CH](N1C(=O)C2=C(C(C)
    C)N3[CH](c4ccc(Cl)cc4)[C](C)(N=C3S2)c5cc
    c(Cl)cc5)C(=O)N6CCN([CH](C)C6)C(C)=O; CC
    [C@@H]1CC[C@H](N1C(=O)C2=C(C(C)C)N3[C@H]
    (c4ccc(Cl)cc4)[C@@](C)(N=C3S2)c5ccc(Cl)c
    c5)C(=O)N6CCN([C@H](C)C6)C(C)=O; O=C(N6C
    (C)CN(C(=O)C5N(C(=O)C=3SC4=NC(c1ccc(Cl)c
    c1)(C(c2ccc(Cl)cc2)N4C=3C(C)C)C)C(CC)CC5
    )CC6)C    		 (5R,6S)-2-[((2S,5R)-2-{[(3R)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
    27735 LU 1 Lu InChI=1S/Lu/q+3;
    PSDMOPINLDTFSZ-UHFFFAOYSA-N    		 [Lu+3] LUTETIUM (III) ION;
    LU
    27736 LU0 2 C6 H14 N2 O4 S InChI=1S/C6H14N2O4S/c1-4(
    2)3-5(6(9)10)8-13(7,11)12
    /h4-5,8H,3H2,1-2H3,(H,9,1
    0)(H2,7,11,12)/t5-/m0/s1;
    WYJHWWUFTZEBIK-YFKPBYRVSA-N    		 CC(C)C[CH](N[S](N)(=O)=O)C(O)=O; CC(C)C[
    C@@H](C(=O)O)NS(=O)(=O)N; CC(C)CC(C(=O)O
    )NS(=O)(=O)N; CC(C)C[C@H](N[S](N)(=O)=O)
    C(O)=O    		 Sulphamoil Leucine
    27737 LU1
    ZINC000098209131    		 1 C26 H24 F N5 O5 InChI=1S/C26H24FN5O5/c1-1
    4-22-24(30-12-29-14)32(13
    -31-22)26-21(34)11-18(37-
    26)3-2-8-28-25(36)19-9-16
    (10-20(33)23(19)35)15-4-6
    -17(27)7-5-15/h2-7,9-10,1
    2-13,18,21,26,33-35H,8,11
    H2,1H3,(H,28,36)/b3-2+/t1
    8-,21-,26-/m1/s1;
    NFOSSDOJFGCEOO-DEAZYUCPSA-N    		 Cc1ncnc2n(cnc12)[C@@H]3O[C@@H](C[C@H]3O)
    \C=C\CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5; C
    c1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)
    /C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O;
    Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/
    C5OC(n4cnc3c(ncnc34)C)C(O)C5; Cc1c2c(ncn
    1)n(cn2)C3C(CC(O3)C=CCNC(=O)c4cc(cc(c4O)
    O)c5ccc(cc5)F)O; Cc1ncnc2n(cnc12)[CH]3O[
    CH](C[CH]3O)C=CCNC(=O)c4cc(cc(O)c4O)c5cc
    c(F)cc5    		 4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide
    27738 LU2
    CHEMBL151
    DB15584
    ZINC000018185774    		 26 C15 H10 O6 InChI=1S/C15H10O6/c16-8-4
    -11(19)15-12(20)6-13(21-1
    4(15)5-8)7-1-2-9(17)10(18
    )3-7/h1-6,16-19H;
    IQPNAANSBPBGFQ-UHFFFAOYSA-N    		 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3;
    c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
    ; O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3
    O    		 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one;
    Luteolin
    27739 LU3
    ZINC000002584866    		 0 C4 H6 N2 S InChI=1S/C4H6N2S/c5-3-4-6
    -1-2-7-4/h1-2H,3,5H2;
    JOZSYOPADROCMP-UHFFFAOYSA-N    		 c1csc(n1)CN; NCc1sccn1 1,3-thiazol-2-ylmethanamine
    27740 LU5 4 C23 H19 N5 O4 InChI=1S/C23H19N5O4/c1-13
    -9-18-19(5-3-6-20(18)28-2
    7-13)26-22(30)15-10-16(24
    -14(2)29)12-17(11-15)25-2
    3(31)21-7-4-8-32-21/h3-12
    H,1-2H3,(H,24,29)(H,25,31
    )(H,26,30);
    KNUFZYGMIQUYJP-UHFFFAOYSA-N    		 CC(=O)Nc1cc(NC(=O)c2occc2)cc(c1)C(=O)Nc3
    cccc4nnc(C)cc34; Cc1cc2c(cccc2NC(=O)c3cc
    (cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1    		 ~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide
    27741 LU7
    CHEMBL1098240
    ZINC000003934756    		 3 C29 H52 N10 O6 InChI=1S/C29H52N10O6/c30-
    22(7-4-15-38-29(32)33)27(
    44)36-16-6-13-35-12-5-11-
    34-10-2-1-3-14-37-28(45)2
    3(19-25(31)42)39-26(43)17
    -20-8-9-21(40)18-24(20)41
    /h8-9,18,22-23,34-35,40-4
    1H,1-7,10-17,19,30H2,(H2,
    31,42)(H,36,44)(H,37,45)(
    H,39,43)(H4,32,33,38)/t22
    -,23-/m0/s1;
    FTNICLJXPYLDAH-GOTSBHOMSA-N    		 [H]/N=C(\N)/NCCC[C@@H](C(=O)NCCCNCCCNCCC
    CCNC(=O)[C@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)
    O)N; N[CH](CCCNC(N)=N)C(=O)NCCCNCCCNCCCC
    CNC(=O)[CH](CC(N)=O)NC(=O)Cc1ccc(O)cc1O;
    c1cc(c(cc1O)O)CC(=O)NC(CC(=O)N)C(=O)NCC
    CCCNCCCNCCCNC(=O)C(CCCNC(=N)N)N; N[C@@H]
    (CCCNC(N)=N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@
    H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O; Oc1cc(O)
    ccc1CC(=O)NC(CC(N)=O)C(=O)NCCCCCNCCCNCCC
    NC(=O)C(N)CCCN\C(=N)N    		 N~1~-{5-[(3-{[3-(L-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide;
    Argiotoxin 636
    27742 LU8
    CHEMBL4633241    		 174 C27 H32 N2 O3 InChI=1S/C27H32N2O3/c1-18
    -23(21-8-6-19(7-9-21)20-1
    0-12-29(2)13-11-20)16-28-
    17-24(18)22-14-25(30-3)27
    (32-5)26(15-22)31-4/h6-9,
    14-17,20H,10-13H2,1-5H3;
    CNEAZWBYXISKKK-UHFFFAOYSA-N    		 Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3
    )C4CCN(CC4)C; COc1cc(cc(OC)c1OC)c2cncc(c
    2C)c3ccc(cc3)C4CCN(C)CC4    		 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
    27743 LU9 2 C93 H164 N2 O39 P2 InChI=1S/C93H168N2O39P2/c
    1-6-11-16-21-26-30-34-38-
    43-48-64(99)55-77(108)129
    -86-78(94-72(103)54-63(98
    )47-42-37-33-29-24-19-14-
    9-4)89(134-136(119,120)12
    1)126-70(82(86)111)61-123
    -88-79(95-73(104)56-65(49
    -44-39-35-31-27-22-17-12-
    7-2)125-75(106)51-46-41-3
    6-32-28-23-18-13-8-3)87(1
    28-76(107)52-53-122-74(10
    5)50-45-40-25-20-15-10-5)
    85(133-135(116,117)118)71
    (127-88)62-124-92(90(112)
    113)58-69(81(110)84(131-9
    2)68(102)60-97)130-93(91(
    114)115)57-66(100)80(109)
    83(132-93)67(101)59-96/h6
    3-71,78-89,96-102,109-111
    H,6-62H2,1-5H3,(H,94,103)
    (H,95,104)(H,112,113)(H,1
    14,115)(H2,116,117,118)(H
    2,119,120,121)/p-4/t63-,6
    4+,65-,66-,67-,68-,69-,70
    -,71-,78-,79-,80-,81-,82-
    ,83-,84-,85-,86-,87-,88-,
    89-,92-,93-/m1/s1;
    VKIJVPHKEVBYMR-HZMIYFLPSA-J    		 CCCCCCCCCCCC(CC(=O)OC1C(C(OC(C1O)COC2C(C
    (C(C(O2)COC3(CC(C(C(O3)C(CO)O)O)OC4(CC(C
    (C(O4)C(CO)O)O)O)C(=O)O)C(=O)O)OP(=O)([O
    -])[O-])OC(=O)CCOC(=O)CCCCCCCC)NC(=O)CC(
    CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OP(=O)([O-
    ])[O-])NC(=O)CC(CCCCCCCCCC)O)O; CCCCCCCC
    CCC[C@H](O)CC(=O)O[C@H]1[C@H](O)[C@@H](C
    O[C@@H]2O[C@H](CO[C@@]3(C[C@@H](O[C@@]4(
    C[C@@H](O)[C@@H](O)[C@H](O4)[C@H](O)CO)C
    (O)=O)[C@@H](O)[C@H](O3)[C@H](O)CO)C(O)=
    O)[C@@H](O[P]([O-])([O-])=O)[C@H](OC(=O)
    CCOC(=O)CCCCCCCC)[C@H]2NC(=O)C[C@@H](CCC
    CCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@H](O[P]([
    O-])([O-])=O)[C@@H]1NC(=O)C[C@H](O)CCCCC
    CCCCC; CCCCCCCCCCC[C@@H](CC(=O)O[C@@H]1[
    C@H]([C@H](O[C@@H]([C@H]1O)CO[C@H]2[C@@H
    ]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H](
    [C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C
    @H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)C(=O)
    O)C(=O)O)OP(=O)([O-])[O-])OC(=O)CCOC(=O)
    CCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O
    )CCCCCCCCCCC)OP(=O)([O-])[O-])NC(=O)C[C@
    @H](CCCCCCCCCC)O)O; CCCCCCCCCCC[CH](O)CC
    (=O)O[CH]1[CH](O)[CH](CO[CH]2O[CH](CO[C]
    3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH
    ](O)CO)C(O)=O)[CH](O)[CH](O3)[CH](O)CO)C
    (O)=O)[CH](O[P]([O-])([O-])=O)[CH](OC(=O
    )CCOC(=O)CCCCCCCC)[CH]2NC(=O)C[CH](CCCCC
    CCCCCC)OC(=O)CCCCCCCCCCC)O[CH](O[P]([O-]
    )([O-])=O)[CH]1NC(=O)C[CH](O)CCCCCCCCCC    		 [(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate;
    LIPOPOLYSACCHARIDE
    27744 LUB 1 C9 H14 O4 InChI=1S/C9H14O4/c1-2-3-7
    -8(9(11)12)6(4-10)5-13-7/
    h7,10H,2-5H2,1H3,(H,11,12
    )/t7-/m0/s1;
    ZQVNOVXAPYHZNS-ZETCQYMHSA-N    		 CCC[C@H]1C(=C(CO1)CO)C(=O)O; CCC[C@@H]1O
    CC(=C1C(O)=O)CO; CCCC1C(=C(CO1)CO)C(=O)O
    ; CCC[CH]1OCC(=C1C(O)=O)CO    		 4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid
    27745 LUC 1 C17 H16 Cl N3 O3 InChI=1S/C17H16ClN3O3/c1-
    10-2-3-19-9-14(10)20-15(2
    2)6-11-4-12(18)7-13(5-11)
    24-17-8-16(23)21-17/h2-5,
    7,9,17H,6,8H2,1H3,(H,20,2
    2)(H,21,23)/t17-/m1/s1;
    JCZDGTYSQGAPDN-QGZVFWFLSA-N    		 Cc1ccncc1NC(=O)Cc2cc(Cl)cc(O[CH]3CC(=O)N
    3)c2; Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=
    O)N2)c1; Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)O
    C3CC(=O)N3; Cc1ccncc1NC(=O)Cc2cc(cc(c2)C
    l)O[C@@H]3CC(=O)N3; Cc1ccncc1NC(=O)Cc2cc
    (Cl)cc(O[C@@H]3CC(=O)N3)c2    		 2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide
    27746 LUD
    CHEMBL1233930    		 1 C20 H21 N7 O7 InChI=1S/C20H21N7O7/c21-1
    9-24-15-14(17(31)25-19)27
    -11(7-22-15)8-26(20(27)34
    )10-3-1-9(2-4-10)16(30)23
    -12(18(32)33)5-6-13(28)29
    /h1-4,11-12H,5-8H2,(H,23,
    30)(H,28,29)(H,32,33)(H4,
    21,22,24,25,31)/t11-,12+/
    m1/s1;
    JSNFRYBHBVDHSG-NEPJUHHUSA-N    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2
    C[C@H]3CNC4=C(N3C2=O)C(=O)NC(=N4)N; NC1=
    NC2=C(N3[CH](CN2)CN(C3=O)c4ccc(cc4)C(=O)
    N[CH](CCC(O)=O)C(O)=O)C(=O)N1; NC1=NC2=C
    (N3[C@H](CN2)CN(C3=O)c4ccc(cc4)C(=O)N[C@
    @H](CCC(O)=O)C(O)=O)C(=O)N1; N=4C2=C(N3C
    (N(c1ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)CC3
    CN2)=O)C(=O)NC=4N; c1cc(ccc1C(=O)NC(CCC(
    =O)O)C(=O)O)N2CC3CNC4=C(N3C2=O)C(=O)NC(=
    N4)N    		 N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid
    27747 LUE
    CHEMBL4753164    		 1 C22 H24 N10 O InChI=1S/C22H24N10O/c1-13
    -24-20(21-28-27-14(2)33-2
    1)19-10-15(7-9-32(13)19)2
    5-22-23-8-6-17(26-22)18-1
    1-16(12-30(3)4)31(5)29-18
    /h6-11H,12H2,1-5H3,(H,23,
    25,26);
    PAZNLQHSWVMGIW-UHFFFAOYSA-N    		 CN(C)Cc1cc(nn1C)c2ccnc(Nc3ccn4c(C)nc(c5o
    c(C)nn5)c4c3)n2; Cc1nc(c2n1ccc(c2)Nc3ncc
    c(n3)c4cc(n(n4)C)CN(C)C)c5nnc(o5)C    		 ~{N}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine
    27748 LUF
    ZINC000005766341    		 2 C25 H38 O3 InChI=1S/C25H38O3/c1-18(1
    1-7-13-21-17-23(26)28-24(
    21)27)9-6-10-19(2)14-15-2
    2-20(3)12-8-16-25(22,4)5/
    h10-11,17,24,27H,6-9,12-1
    6H2,1-5H3/b18-11+,19-10+/
    t24-/m0/s1;
    JPWPYTMXSXYUPG-XKILHPSWSA-N    		 CC1=C(C(CCC1)(C)C)CC/C(=C/CC/C(=C/CCC2=C
    C(=O)O[C@@H]2O)/C)/C; C\C(CC\C=C(C)\CCC1
    =C(C)CCCC1(C)C)=C/CCC2=CC(=O)O[C@@H]2O;
    CC1=C(C(CCC1)(C)C)CCC(=CCCC(=CCCC2=CC(=O
    )OC2O)C)C; CC(CCC=C(C)CCC1=C(C)CCCC1(C)C
    )=CCCC2=CC(=O)O[CH]2O; O=C1OC(O)C(=C1)CC
    /C=C(\C)CC\C=C(/C)CCC2=C(C)CCCC2(C)C    		 (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one;
    Luffariellolide
    27749 LUG
    CHEMBL485945
    DB08130
    ZINC000034285190    		 1 C16 H13 F3 I N5 O InChI=1S/C16H13F3IN5O/c17
    -10-3-2-9(15-24-25-16(26-
    15)22-6-5-21)14(13(10)19)
    23-12-4-1-8(20)7-11(12)18
    /h1-4,7,23H,5-6,21H2,(H,2
    2,25);
    FPDWDLAITHFTTP-UHFFFAOYSA-N    		 Ic1ccc(c(F)c1)Nc3c(F)c(F)ccc3c2nnc(o2)NC
    CN; c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o
    3)NCCN; NCCNc1oc(nn1)c2ccc(F)c(F)c2Nc3cc
    c(I)cc3F    		 N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine
    27750 LUH 4 C14 H20 N5 O9 P InChI=1S/C14H20N5O9P/c1-7
    -12(20)9(8(2-16-7)4-28-29
    (23,24)25)3-17-27-6-11-14
    (22)18-10(5-26-15)13(21)1
    9-11/h2-3,10-11,20H,4-6,1
    5H2,1H3,(H,18,22)(H,19,21
    )(H2,23,24,25)/b17-3-/t10
    -,11-/m0/s1;
    HNXGFDLEQUEUAT-GAIAKETDSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=NOC[CH]2NC(=O)[
    CH](CON)NC2=O)c1O; Cc1c(c(c(cn1)COP(=O)(
    O)O)C=NOCC2C(=O)NC(C(=O)N2)CON)O; Cc1ncc
    (CO[P](O)(O)=O)c(\C=N/OC[C@@H]2NC(=O)[C@
    H](CON)NC2=O)c1O; Cc1c(c(c(cn1)COP(=O)(O
    )O)/C=N\OC[C@H]2C(=O)N[C@H](C(=O)N2)CON)
    O    		 [4-[(~{Z})-[(2~{S},5~{S})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
    27751 LUI
    CHEMBL1851820
    ZINC000034575872    		 4 C22 H25 N3 O3 InChI=1S/C22H25N3O3/c1-14
    (2)12-25-19(11-23)21(15-6
    -4-3-5-7-15)18-10-16(28-1
    3-20(24)26)8-9-17(18)22(2
    5)27/h3-10,14H,11-13,23H2
    ,1-2H3,(H2,24,26);
    GODOFGUHKFCHSR-UHFFFAOYSA-N    		 CC(C)CN1C(=C(c2cc(ccc2C1=O)OCC(=O)N)c3cc
    ccc3)CN; CC(C)CN1C(=O)c2ccc(OCC(N)=O)cc2
    C(=C1CN)c3ccccc3; O=C(N)COc3ccc1c(C(=C(N
    (C1=O)CC(C)C)CN)c2ccccc2)c3    		 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide;
    TAK-285
    27752 LUJ
    CHEMBL4538701    		 0 C26 H51 N5 O13 InChI=1S/C26H51N5O13/c1-2
    -3-8-12(6-32)40-24(14(30)
    16(8)34)42-21-10(29)4-9(2
    8)17(35)23(21)44-26-20(38
    )22(13(7-33)41-26)43-25-1
    5(31)19(37)18(36)11(5-27)
    39-25/h8-26,32-38H,2-7,27
    -31H2,1H3/t8-,9-,10+,11+,
    12-,13-,14-,15-,16+,17+,1
    8-,19-,20-,21-,22-,23-,24
    -,25-,26+/m1/s1;
    GSHRTHLCTXGYPA-RNNXBIGMSA-N    		 CCC[C@H]1[C@H](O)[C@@H](N)[C@H](O[C@@H]1
    CO)O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C
    @H]2O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@
    @H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O;
    CCCC1C(OC(C(C1O)N)OC2C(CC(C(C2OC3C(C(C(
    O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N)N)CO;
    CCC[CH]1[CH](O)[CH](N)[CH](O[CH]1CO)O[C
    H]2[CH](N)C[CH](N)[CH](O)[CH]2O[CH]3O[CH
    ](CO)[CH](O[CH]4O[CH](CN)[CH](O)[CH](O)[
    CH]4N)[CH]3O; CCCC1C(CO)OC(C(C1O)N)OC2C(
    N)CC(C(C2OC3OC(CO)C(C3O)OC4OC(CN)C(O)C(O
    )C4N)O)N; CCC[C@@H]1[C@H](O[C@@H]([C@@H]
    ([C@H]1O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([
    C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[
    C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O
    )O)N)O)O)N)N)CO    		 (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside;
    propylamycin
    27753 LUK 4 C14 H20 N5 O9 P InChI=1S/C14H20N5O9P/c1-7
    -12(20)9(8(2-16-7)4-28-29
    (23,24)25)3-17-27-6-11-14
    (22)18-10(5-26-15)13(21)1
    9-11/h2-3,10-11,20H,4-6,1
    5H2,1H3,(H,18,22)(H,19,21
    )(H2,23,24,25)/b17-3-/t10
    -,11-/m1/s1;
    HNXGFDLEQUEUAT-IZYPQUFVSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=NOC[CH]2NC(=O)[
    CH](CON)NC2=O)c1O; Cc1ncc(CO[P](O)(O)=O)
    c(\C=N/OC[C@H]2NC(=O)[C@@H](CON)NC2=O)c1
    O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NOCC2C(=O)
    NC(C(=O)N2)CON)O; Cc1c(c(c(cn1)COP(=O)(O
    )O)/C=N\OC[C@@H]2C(=O)N[C@@H](C(=O)N2)CO
    N)O    		 [4-[(~{Z})-[(2~{R},5~{R})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
    27754 LUM
    CHEMBL1234101
    DB04345
    ZINC000012446789    		 4 C12 H10 N4 O2 InChI=1S/C12H10N4O2/c1-5-
    3-7-8(4-6(5)2)14-10-9(13-
    7)11(17)16-12(18)15-10/h3
    -4H,1-2H3,(H2,14,15,16,17
    ,18);
    ZJTJUVIJVLLGSP-UHFFFAOYSA-N    		 Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3; Cc1c
    c2nc3NC(=O)NC(=O)c3nc2cc1C; O=C1c2nc3c(n
    c2NC(=O)N1)cc(c(c3)C)C    		 LUMICHROME;
    7,8-DIMETHYLALLOXAZINE;
    6,7-DIMETHYLALLOXAZINE
    27755 LUN
    ZINC000073224359    		 1 C25 H27 F N4 O InChI=1S/C25H27FN4O/c26-1
    8-7-8-21-17(12-18)13-22(2
    8-21)24(31)30-16-25(20-5-
    1-2-6-23(20)30)9-11-29(15
    -25)19-4-3-10-27-14-19/h1
    -2,5-8,12-13,19,27-28H,3-
    4,9-11,14-16H2/t19-,25-/m
    1/s1;
    ABNVVKAVWJYHCL-KBMIEXCESA-N    		 c1ccc2c(c1)C3(CCN(C3)C4CCCNC4)CN2C(=O)c5
    cc6cc(ccc6[nH]5)F; Fc1ccc2[nH]c(cc2c1)C(
    =O)N3C[C@]4(CCN(C4)[C@@H]5CCCNC5)c6ccccc
    36; c1ccc2c(c1)[C@@]3(CC[N@](C3)[C@@H]4C
    CCNC4)CN2C(=O)c5cc6cc(ccc6[nH]5)F; Fc1cc
    c2[nH]c(cc2c1)C(=O)N3C[C]4(CCN(C4)[CH]5C
    CCNC5)c6ccccc36; Fc1cc2cc(nc2cc1)C(=O)N4
    c3c(cccc3)C6(C4)CN(C5CCCNC5)CC6    		 (5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone
    27756 LUO
    ZINC000095921160    		 3 C22 H22 N6 O3 InChI=1S/C22H22N6O3/c1-13
    -6-4-5-7-18(13)28-19-17(1
    2-23-28)21(30)27-22(26-19
    )24-14(2)20(29)25-15-8-10
    -16(31-3)11-9-15/h4-12,14
    H,1-3H3,(H,25,29)(H2,24,2
    6,27,30)/t14-/m0/s1;
    VHGPQZWYIWLLDA-AWEZNQCLSA-N    		 Cc1ccccc1n2c3c(cn2)C(=O)NC(=N3)N[C@@H](C
    )C(=O)Nc4ccc(cc4)OC; COc1ccc(NC(=O)[C@H]
    (C)NC2=Nc3n(ncc3C(=O)N2)c4ccccc4C)cc1; C
    Oc1ccc(NC(=O)[CH](C)NC2=Nc3n(ncc3C(=O)N2
    )c4ccccc4C)cc1; Cc1ccccc1n2c3c(cn2)C(=O)
    NC(=N3)NC(C)C(=O)Nc4ccc(cc4)OC; O=C(Nc1c
    cc(OC)cc1)C(NC2=Nc3c(C(=O)N2)cnn3c4ccccc
    4C)C    		 N-(4-methoxyphenyl)-N~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-L-alaninamide
    27757 LUP
    CHEMBL4460946    		 2 C23 H35 F3 N4 O4 S InChI=1S/C23H35F3N4O4S/c2
    4-23(25,26)10-1-11-27-18-
    6-2-16(3-7-18)15-35(32,33
    )30-12-8-19(9-13-30)28-22
    (31)20-14-21(34-29-20)17-
    4-5-17/h14,16-19,27H,1-13
    ,15H2,(H,28,31)/t16-,18-;
    VAYJCVQRMIULEM-SAABIXHNSA-N    		 FC(F)(F)CCCN[CH]1CC[CH](CC1)C[S](=O)(=O)
    N2CC[CH](CC2)NC(=O)c3cc(on3)C4CC4; c1c(o
    nc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)N
    CCCC(F)(F)F)C4CC4; FC(F)(F)CCCN[C@H]1CC[
    C@@H](CC1)C[S](=O)(=O)N2CC[C@@H](CC2)NC(
    =O)c3cc(on3)C4CC4; C4C(NCCCC(F)(F)F)CCC(
    CS(N1CCC(CC1)NC(=O)c3cc(C2CC2)on3)(=O)=O
    )C4    		 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide
    27758 LUQ
    ZINC000001659811    		 2 C4 H10 N2 O4 S InChI=1S/C4H10N2O4S/c5-4(
    7)3-6-1-2-11(8,9)10/h6H,1
    -3H2,(H2,5,7)(H,8,9,10);
    DBXNUXBLKRLWFA-UHFFFAOYSA-N    		 NC(=O)CNCC[S](O)(=O)=O; C(CS(=O)(=O)O)NC
    C(=O)N    		 N-(2-acetamido)-2-aminoethanesulfonic acid;
    N-(Carbamoylmethyl)taurine
    27759 LUR
    CHEMBL404108
    DB01283
    ZINC000000007563    		 16 C15 H13 Cl F N O2 InChI=1S/C15H13ClFNO2/c1-
    9-5-6-13(10(7-9)8-14(19)2
    0)18-15-11(16)3-2-4-12(15
    )17/h2-7,18H,8H2,1H3,(H,1
    9,20);
    KHPKQFYUPIUARC-UHFFFAOYSA-N    		 Clc2cccc(F)c2Nc1ccc(cc1CC(=O)O)C; Cc1ccc
    (c(c1)CC(=O)O)Nc2c(cccc2Cl)F; Cc1ccc(Nc2
    c(F)cccc2Cl)c(CC(O)=O)c1    		 {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid;
    Lumiracoxib
    27760 LUS 1 C12 H23 N O InChI=1S/C12H23NO/c1-2-11
    -3-5-12(6-4-11)13-7-9-14-
    10-8-13/h11-12H,2-10H2,1H
    3/t11-,12-;
    UXPACUHPXVTRQE-HAQNSBGRSA-N    		 CCC1CCC(CC1)N2CCOCC2; CC[CH]1CC[CH](CC1)
    N2CCOCC2; CC[C@H]1CC[C@@H](CC1)N2CCOCC2    		 4-(4-ethylcyclohexyl)morpholine
    27761 LUT
    ZINC000014879961    		 0 C40 H56 O2 InChI=1S/C40H56O2/c1-29(1
    7-13-19-31(3)21-23-37-33(
    5)25-35(41)27-39(37,7)8)1
    5-11-12-16-30(2)18-14-20-
    32(4)22-24-38-34(6)26-36(
    42)28-40(38,9)10/h11-25,3
    5-37,41-42H,26-28H2,1-10H
    3/b12-11+,17-13+,18-14+,2
    3-21+,24-22+,29-15+,30-16
    +,31-19+,32-20+/t35-,36-,
    37-/m0/s1;
    KBPHJBAIARWVSC-NSIPBSJQSA-N    		 CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C
    [C@H](O)CC1(C)C)\C=C\C=C(C)\C=C\[C@H]2C(
    =C[C@H](O)CC2(C)C)C; CC1=C(C(C[C@H](C1)O
    )(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C
    \C=C(/C)\C=C\[C@H]2C(=C[C@@H](CC2(C)C)O)
    C)\C)\C; CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(
    C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[
    CH](O)CC2(C)C)C; OC2CC(=C(\C=C\C(=C\C=C\
    C(=C\C=C\C=C(\C=C\C=C(\C=C\C1C(=CC(O)CC1
    (C)C)C)C)C)C)C)C(C)(C)C2)C; CC1=C(C(CC(C
    1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C
    )C=CC2C(=CC(CC2(C)C)O)C)C)C    		 (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL;
    (3R,3'R)-BETA,BETA-CAROTENE-3,3'-DIOL;
    LUTEIN
    27762 LUU
    CHEMBL5093963
    ZINC000002021900    		 1 C9 H10 N2 InChI=1S/C9H10N2/c10-6-7-
    1-2-9-8(5-7)3-4-11-9/h1-5
    ,11H,6,10H2;
    UAYYSAPJTRVEQA-UHFFFAOYSA-N    		 c1cc2c(cc[nH]2)cc1CN; NCc1ccc2[nH]ccc2c1 1~{H}-indol-5-ylmethanamine
    27763 LUV
    ZINC000098209132    		 2 C31 H34 N4 O3 S InChI=1S/C31H34N4O3S/c36-
    27(17-8-7-16-26-29-25(20-
    39-26)34-31(38)35-29)32-1
    8-19-33-30(37)28-23(21-10
    -3-1-4-11-21)14-9-15-24(2
    8)22-12-5-2-6-13-22/h1-6,
    9-15,25-26,29H,7-8,16-20H
    2,(H,32,36)(H,33,37)(H2,3
    4,35,38)/t25-,26-,29-/m0/
    s1;
    HDCOHCMVDIFBPR-ZEZDXWPOSA-N    		 c1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCC[C@
    H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccccc5; c
    1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCCC3C4
    C(CS3)NC(=O)N4)c5ccccc5; O=C(CCCC[CH]1SC
    [CH]2NC(=O)N[CH]12)NCCNC(=O)c3c(cccc3c4c
    cccc4)c5ccccc5; O=C(CCCC[C@@H]1SC[C@@H]2
    NC(=O)N[C@H]12)NCCNC(=O)c3c(cccc3c4ccccc
    4)c5ccccc5; O=C1NC2C(SCC2N1)CCCCC(=O)NCC
    NC(=O)c5c(c3ccccc3)cccc5c4ccccc4    		 (3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide
    27764 LUW 2 C21 H17 N5 O3 InChI=1S/C21H17N5O3/c27-1
    9(18-14-23-21(25-20(18)28
    )26-12-4-11-24-26)22-13-1
    5-7-9-17(10-8-15)29-16-5-
    2-1-3-6-16/h1-12,14H,13H2
    ,(H,22,27)(H,23,25,28);
    WBANHLSPTRNPCR-UHFFFAOYSA-N    		 Oc1nc(ncc1C(=O)NCc2ccc(Oc3ccccc3)cc2)n4c
    ccn4; c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc(
    nc3O)n4cccn4    		 4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide
    27765 LUX 6 C40 H72 O2 InChI=1S/C40H72O2/c1-29(1
    7-13-19-31(3)21-23-37-33(
    5)25-35(41)27-39(37,7)8)1
    5-11-12-16-30(2)18-14-20-
    32(4)22-24-38-34(6)26-36(
    42)28-40(38,9)10/h21,23,2
    6,29-32,35-36,38,41-42H,1
    1-20,22,24-25,27-28H2,1-1
    0H3/b23-21+/t29-,30+,31-,
    32?,35+,36-,38?/m1/s1;
    OXVWOOPFXSSEKV-SQYYBNMASA-N    		 OC2CC(=C(/C=C/C(C)CCCC(C)CCCCC(C)CCCC(C)
    CCC1C(=CC(O)CC1(C)C)C)C(C)(C)C2)C; C[CH]
    (CCCC[CH](C)CCC[CH](C)C=CC1=C(C)C[CH](O)
    CC1(C)C)CCC[CH](C)CC[CH]2C(=C[CH](O)CC2(
    C)C)C; CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(C
    )CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2
    (C)C)O)C; C[C@@H](CCCC[C@@H](C)CCC[C@@H]
    (C)/C=C/C1=C(C)C[C@H](O)CC1(C)C)CCC[C@@H
    ](C)CC[C@H]2C(=C[C@@H](O)CC2(C)C)C; CC1=
    C(C(CC(C1)O)(C)C)C=CC(C)CCCC(C)CCCCC(C)C
    CCC(C)CCC2C(=CC(CC2(C)C)O)C    		 (3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-OCTADECAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL
    27766 LUY
    ZINC000000513006    		 5 C15 H15 N3 InChI=1S/C15H15N3/c1-2-6-
    12(7-3-1)10-11-16-15-17-1
    3-8-4-5-9-14(13)18-15/h1-
    9H,10-11H2,(H2,16,17,18);
    OWETVOGOOABRTJ-UHFFFAOYSA-N    		 c1ccc(cc1)CCNc2[nH]c3ccccc3n2; C(Cc1cccc
    c1)Nc2[nH]c3ccccc3n2    		 ~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine
    27767 LUZ
    CHEMBL1234104
    ZINC000000155664    		 5 C6 H4 N4 O2 InChI=1S/C6H4N4O2/c11-5-3
    -4(8-2-1-7-3)9-6(12)10-5/
    h1-2H,(H2,8,9,10,11,12);
    UYEUUXMDVNYCAM-UHFFFAOYSA-N    		 O=C1NC(=O)c2nccnc2N1; O=C2c1nccnc1NC(=O)
    N2; c1cnc2c(n1)C(=O)NC(=O)N2    		 pteridine-2,4(1H,3H)-dione;
    Lumazine;
    2,4-dihydroxypteridine;
    2,4-pteridinediol
    27768 LV0 1 C21 H21 N3 O3 S InChI=1S/C21H21N3O3S/c25-
    19(21(27)23-14-18-22-11-1
    2-28-18)17(13-15-7-3-1-4-
    8-15)24-20(26)16-9-5-2-6-
    10-16/h1-12,17,19,25H,13-
    14H2,(H,23,27)(H,24,26)/t
    17-,19+/m1/s1;
    UFZXDNQNUPUWBP-MJGOQNOKSA-N    		 O[C@@H]([C@@H](Cc1ccccc1)NC(=O)c2ccccc2)
    C(=O)NCc3sccn3; c1ccc(cc1)CC(C(C(=O)NCc2
    nccs2)O)NC(=O)c3ccccc3; c1ccc(cc1)C[C@H]
    ([C@@H](C(=O)NCc2nccs2)O)NC(=O)c3ccccc3;
    O[CH]([CH](Cc1ccccc1)NC(=O)c2ccccc2)C(=
    O)NCc3sccn3    		 ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
    27769 LV1
    ZINC000000399805    		 1 C13 H11 F N2 O2 InChI=1S/C13H11FN2O2/c14-
    9-4-6-10(7-5-9)15-13(18)1
    6-11-2-1-3-12(17)8-11/h1-
    8,17H,(H2,15,16,18);
    BASVXNNPMBRKEP-UHFFFAOYSA-N    		 c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F; Oc1cccc
    (NC(=O)Nc2ccc(F)cc2)c1    		 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea
    27770 LV2 0 C11 H18 N3 O8 P InChI=1S/C11H18N3O8P/c1-1
    3(2)7-3-4-14(11(17)12-7)1
    0-9(16)8(15)6(22-10)5-21-
    23(18,19)20/h3-4,6,8-10,1
    5-16H,5H2,1-2H3,(H2,18,19
    ,20)/t6-,8-,9-,10-/m1/s1;
    PGVGGVCCRBGELR-PEBGCTIMSA-N    		 CN(C)C1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(
    O)O)O)O; CN(C)C1=NC(=O)N(C=C1)[C@H]2[C@@
    H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O; CN(C
    )C1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(
    O)=O)[C@@H](O)[C@H]2O; CN(C)C1=NC(=O)N(C
    =C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]
    2O    		 [(2~{R},3~{S},4~{R},5~{R})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
    27771 LV4
    ZINC000000102765    		 12 C8 H7 F3 N2 O S InChI=1S/C8H7F3N2OS/c9-8(
    10,11)14-6-4-2-1-3-5(6)13
    -7(12)15/h1-4H,(H3,12,13,
    15);
    HYKOSRYWIURWQI-UHFFFAOYSA-N    		 NC(=S)Nc1ccccc1OC(F)(F)F; c1ccc(c(c1)NC(
    =S)N)OC(F)(F)F    		 1-[2-(trifluoromethyloxy)phenyl]thiourea
    27772 LV5
    CHEMBL1319813
    ZINC000000157572    		 1 C6 H5 Cl2 N InChI=1S/C6H5Cl2N/c7-5-2-
    1-4(9)3-6(5)8/h1-3H,9H2;
    SDYWXFYBZPNOFX-UHFFFAOYSA-N    		 c1cc(c(cc1N)Cl)Cl; Nc1ccc(Cl)c(Cl)c1 3,4-Dichloroaniline
    27773 LV7
    ZINC000000144281    		 2 C9 H11 N3 O2 InChI=1S/C9H11N3O2/c1-6(1
    3)11-8-5-3-2-4-7(8)9(14)1
    2-10/h2-5H,10H2,1H3,(H,11
    ,13)(H,12,14);
    QECAIFFXHWSKAI-UHFFFAOYSA-N    		 CC(=O)Nc1ccccc1C(=O)NN ~{N}-[2-(aminocarbamoyl)phenyl]ethanamide
    27774 LV8 0 C5 H10 N2 O3 InChI=1S/C5H10N2O3/c1-3(8
    )7-2-4(6)5(9)10/h4H,2,6H2
    ,1H3,(H,7,8)(H,9,10)/t4-/
    m0/s1;
    YSPAKPPINKSOKX-BYPYZUCNSA-N    		 CC(=O)NC[C@@H](C(=O)O)N; CC(=O)NCC(C(=O)
    O)N; CC(=O)NC[CH](N)C(O)=O; CC(=O)NC[C@H
    ](N)C(O)=O    		 (2~{S})-3-acetamido-2-azanyl-propanoic acid
    27775 LV9 1 C18 H21 N3 O2 InChI=1S/C18H21N3O2/c22-1
    7(20-16-7-4-10-19-14-16)2
    1-18(8-11-23-12-9-18)13-1
    5-5-2-1-3-6-15/h1-7,10,14
    H,8-9,11-13H2,(H2,20,21,2
    2);
    QJWPFRCAJGJSOH-UHFFFAOYSA-N    		 O=C(Nc1cccnc1)NC2(CCOCC2)Cc3ccccc3; c1cc
    c(cc1)CC2(CCOCC2)NC(=O)Nc3cccnc3; O=C(NC
    1(CCOCC1)Cc1ccccc1)Nc1cccnc1    		 N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea
    27776 LVA
    CHEMBL1201373
    DB03785
    ZINC000004134473    		 4 C24 H38 O6 InChI=1S/C24H38O6/c1-5-15
    (3)24(29)30-21-11-14(2)10
    -17-7-6-16(4)20(23(17)21)
    9-8-18(25)12-19(26)13-22(
    27)28/h6-7,10,14-16,18-21
    ,23,25-26H,5,8-9,11-13H2,
    1-4H3,(H,27,28)/t14-,15-,
    16-,18+,19+,20-,21-,23-/m
    0/s1;
    QLJODMDSTUBWDW-BXMDZJJMSA-N    		 CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[
    C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O
    )O)O)C; CC[CH](C)C(=O)O[CH]1C[CH](C)C=C2
    C=C[CH](C)[CH](CC[CH](O)C[CH](O)CC(O)=O)
    [CH]12; CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)
    C)CCC(CC(CC(=O)O)O)O)C; CC[C@H](C)C(=O)O
    [C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[
    C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12; O=C(
    O)CC(O)CC(O)CCC2C(C=CC1=CC(CC(OC(=O)C(C)
    CC)C12)C)C    		 (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID
    27777 LVB 2 C14 H11 N O4 InChI=1S/C14H11NO4/c1-9-2
    -4-10(5-3-9)14(17)11-6-7-
    13(16)12(8-11)15(18)19/h2
    -8,16H,1H3;
    OYCADSVKEVKERJ-UHFFFAOYSA-N    		 Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])
    O; Cc1ccc(cc1)C(=O)c2ccc(O)c(c2)[N+]([O-
    ])=O    		 3-deoxytolcapone
    27778 LVC 1 C10 H10 O3 InChI=1S/C10H10O3/c1-7(11
    )6-8-2-4-9(5-3-8)10(12)13
    /h2-5H,6H2,1H3,(H,12,13);
    FLZUYXUBDVKWPO-UHFFFAOYSA-N    		 CC(=O)Cc1ccc(cc1)C(=O)O; O=C(C)Cc1ccc(cc
    1)C(=O)O; CC(=O)Cc1ccc(cc1)C(O)=O    		 4-(2-oxopropyl)benzoic acid
    27779 LVD
    CHEMBL1867851
    ZINC000000084002    		 4 C8 H10 N2 O2 InChI=1S/C8H10N2O2/c9-8(1
    1)10-12-6-7-4-2-1-3-5-7/h
    1-5H,6H2,(H3,9,10,11);
    IXRIVZOKBPYSPK-UHFFFAOYSA-N    		 c1ccc(cc1)CONC(=O)N; NC(=O)NOCc1ccccc1 1-phenylmethoxyurea
    27780 LVE
    ZINC000077303491    		 2 C15 H13 N O5 InChI=1S/C15H13NO5/c1-9-3
    -5-10(6-4-9)14(17)11-7-12
    (16(19)20)15(18)13(8-11)2
    1-2/h3-8,18H,1-2H3;
    VCNSNEJUGBEWTA-UHFFFAOYSA-N    		 COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2ccc(C)
    cc2; Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N
    +](=O)[O-]    		 3-O-methyltolcapone
    27781 LVF
    ZINC000016697555    		 1 C10 H7 Cl N2 InChI=1S/C10H7ClN2/c11-8-
    1-2-10-9(5-8)7(3-4-12)6-1
    3-10/h1-2,5-6,13H,3H2;
    UHFZUNGNGGEESB-UHFFFAOYSA-N    		 Clc1ccc2[nH]cc(CC#N)c2c1; c1cc2c(cc1Cl)c
    (c[nH]2)CC#N    		 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile
    27782 LVG
    DB03214
    ZINC000001566185    		 2 C4 H7 N O2 InChI=1S/C4H7NO2/c1-2-3(5
    )4(6)7/h2-3H,1,5H2,(H,6,7
    )/t3-/m0/s1;
    RQVLGLPAZTUBKX-VKHMYHEASA-N    		 O=C(O)C(\C=C)N; N[CH](C=C)C(O)=O; N[C@@H
    ](C=C)C(O)=O; C=CC(C(=O)O)N; C=C[C@@H](C
    (=O)O)N    		 L-VINYLGLYCINE;
    (2S)-2-AMINO-3-BUTENOIC ACID;
    (2S)-2-AMINOBUT-3-ENOIC ACID
    27783 LVH
    CHEMBL4447306    		 2 C26 H27 F3 N2 O2 InChI=1S/C26H27F3N2O2/c1-
    15-11-18-17-7-5-6-8-21(17
    )30-24(18)26(4,31(15)14-2
    5(2,3)29)23-19(27)12-16(1
    3-20(23)28)9-10-22(32)33/
    h5-10,12-13,15,30H,11,14H
    2,1-4H3,(H,32,33)/b10-9+/
    t15-,26-/m1/s1;
    QGICMPFWBJJTDL-OEFSXXAWSA-N    		 C[C@@H]1Cc2c3ccccc3[nH]c2[C@@](N1CC(C)(C
    )F)(C)c4c(cc(cc4F)/C=C/C(=O)O)F; C[C@@H]
    1Cc2c([nH]c3ccccc23)[C@](C)(N1CC(C)(C)F)
    c4c(F)cc(/C=C/C(O)=O)cc4F; CC1Cc2c3ccccc
    3[nH]c2C(N1CC(C)(C)F)(C)c4c(cc(cc4F)C=CC
    (=O)O)F; C[CH]1Cc2c([nH]c3ccccc23)[C](C)
    (N1CC(C)(C)F)c4c(F)cc(C=CC(O)=O)cc4F    		 (~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid
    27784 LVJ
    ZINC000098209137    		 2 C27 H32 Cl2 F3 N5 O4 InChI=1S/C27H32Cl2F3N5O4/
    c1-25(2,3)23(39)33-11-14-
    7-8-16(28)21(20(14)29)36-
    24-35-17-9-15(22(38)34-12
    -27(30,31)32)19(10-18(17)
    37(24)6)41-13-26(4,5)40/h
    7-10,40H,11-13H2,1-6H3,(H
    ,33,39)(H,34,38)(H,35,36);
    CHFOASGROVVRSK-UHFFFAOYSA-N    		 Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc
    3cc(C(=O)NCC(F)(F)F)c(OCC(C)(C)O)cc13; F
    C(F)(F)CNC(=O)c2cc3nc(Nc1c(Cl)c(ccc1Cl)C
    NC(=O)C(C)(C)C)n(c3cc2OCC(O)(C)C)C; CC(C
    )(C)C(=O)NCc1ccc(c(c1Cl)Nc2nc3cc(c(cc3n2
    C)OCC(C)(C)O)C(=O)NCC(F)(F)F)Cl    		 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide
    27785 LVK 1 C10 H10 O3 InChI=1S/C10H10O3/c1-2-9(
    11)7-3-5-8(6-4-7)10(12)13
    /h3-6H,2H2,1H3,(H,12,13);
    MQZBJHMHKZVYHB-UHFFFAOYSA-N    		 CCC(=O)c1ccc(cc1)C(O)=O; OC(=O)c1ccc(cc1
    )C(=O)CC; CCC(=O)c1ccc(cc1)C(=O)O    		 4-propanoylbenzoic acid
    27786 LVL 1 C11 H7 F3 N2 InChI=1S/C11H7F3N2/c12-11
    (13,14)8-1-2-10-9(5-8)7(3
    -4-15)6-16-10/h1-2,5-6,16
    H,3H2;
    RLNKXFUKNFUIHO-UHFFFAOYSA-N    		 c1cc2c(cc1C(F)(F)F)c(c[nH]2)CC#N; FC(F)(
    F)c1ccc2[nH]cc(CC#N)c2c1    		 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile
    27787 LVM 1 C14 H18 N2 O InChI=1S/C14H18N2O/c1-10-
    2-5-15-9-12(10)16-13(17)6
    -11-7-14(8-11)3-4-14/h2,5
    ,9,11H,3-4,6-8H2,1H3,(H,1
    6,17);
    BEZLDJLMZNYTJV-UHFFFAOYSA-N    		 O=C(Nc1cnccc1C)CC1CC2(CC2)C1; Cc1ccncc1N
    C(=O)CC2CC3(C2)CC3; Cc1ccncc1NC(=O)CC2CC
    3(CC3)C2    		 N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide
    27788 LVN 0 C5 H9 N O3 InChI=1S/C5H9NO3/c1-3(2-7
    )4(6)5(8)9/h2-4H,6H2,1H3,
    (H,8,9)/t3-,4+/m1/s1;
    JHWQDNUTTOUUKV-DMTCNVIQSA-N    		 CC(C=O)C(C(=O)O)N; C[CH](C=O)[CH](N)C(O)
    =O; C[C@H](C=O)[C@H](N)C(O)=O; C[C@H](C=
    O)[C@@H](C(=O)O)N    		 (3S)-4-oxo-L-valine;
    (2S,3S)-2-amino-3-methyl-4-oxo-butanoic acid
    27789 LVO
    CHEMBL467058
    DB11888
    ZINC000014175798    		 6 C21 H36 N4 O8 InChI=1S/C21H36N4O8/c1-4-
    5-6-7-8-9-16(28)32-11-14(
    27)18(31-3)19-17(24-12(2)
    26)13(25-21(22)23)10-15(3
    3-19)20(29)30/h10,13-14,1
    7-19,27H,4-9,11H2,1-3H3,(
    H,24,26)(H,29,30)(H4,22,2
    3,25)/t13-,14+,17+,18+,19
    +/m0/s1;
    UKTIJASCFRNWCB-RMIBSVFLSA-N    		 [H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(
    =O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C
    (=O)O; CCCCCCCC(=O)OC[C@@H](O)[C@@H](OC)
    [C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)
    C(O)=O; CCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C
    (=O)O)NC(=N)N)NC(=O)C)OC)O; CCCCCCCC(=O)
    OC[CH](O)[CH](OC)[CH]1OC(=C[CH](NC(N)=N)
    [CH]1NC(C)=O)C(O)=O; O=C(OCC(O)C(OC)C1OC
    (=CC(NC(=[N@H])N)C1NC(=O)C)C(=O)O)CCCCCC
    C    		 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid;
    5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid;
    Laninamivir octanoate
    27790 LVP
    ZINC000000151485    		 3 C10 H8 F N3 O2 InChI=1S/C10H8FN3O2/c11-7
    -3-1-2-4-8(7)13-14-10(15)
    9-5-6-12-16-9/h1-6,13H,(H
    ,14,15);
    WLARYWMNUKSZGW-UHFFFAOYSA-N    		 c1ccc(c(c1)NNC(=O)c2ccno2)F; Fc1ccccc1NN
    C(=O)c2oncc2    		 ~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide
    27791 LVQ 20 C38 H37 As Na O25 S4 InChI=1S/C38H38AsO25S4.Na
    /c1-39(2,47)64-34(46)18-6
    3-38-25-5-23-11-28(66(51,
    52)53)9-21(36(23)61-16-32
    (42)43)3-19-7-27(65(48,49
    )50)8-20(35(19)60-15-31(4
    0)41)4-22-10-29(67(54,55)
    56)12-24(37(22)62-17-33(4
    4)45)6-26(38)14-30(13-25)
    68(57,58)59;/h7-14,47H,3-
    6,15-18H2,1-2H3,(H,40,41)
    (H,42,43)(H,44,45)(H,48,4
    9,50)(H,51,52,53)(H,54,55
    ,56)(H,57,58,59);/q-1;+6/
    p-1;
    DWJVHZAMZXSDQE-UHFFFAOYSA-M    		 C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2
    c6c7Cc8cc(cc(Cc9cc(cc(Cc%10cc(cc(Cc6cc(c
    7)[S](O)(=O)=O)c%10[O+]3CC(O)=O)[S](O)(=
    O)=O)c9[O+]4C1)[S](O)(=O)=O)c8[O+]5CC(O)
    =O)[S](O)(=O)=O; C[As-](C)(O)OC1=[O+][Na
    ]2345OC(=O)C[O+]2c6c7cc(cc6Cc8cc(cc(c8[O
    +]3CC(=O)O)Cc9cc(cc(c9[O+]4C1)Cc1cc(cc(c
    1[O+]5CC(=O)O)C7)S(=O)(=O)O)S(=O)(=O)O)S
    (=O)(=O)O)S(=O)(=O)O    		 octa-anionic calixarene
    27792 LVR 0 C22 H30 N5 O8 P InChI=1S/C22H30N5O8P/c23-
    5-8-26-15-1-2-16(20-19(15
    )21(30)13-3-6-25-11-14(13
    )22(20)31)27-10-9-24-7-4-
    17(28)18(29)12-35-36(32,3
    3)34/h1-3,6,11,17-18,24,2
    6-29H,4-5,7-10,12,23H2,(H
    2,32,33,34)/t17-,18-/m0/s
    1;
    BJAOHGRBCOQHHR-ROUUACIJSA-N    		 c1cc(c2c(c1NCCN)C(=O)c3ccncc3C2=O)NCCNCC
    [C@@H]([C@H](COP(=O)(O)O)O)O; NCCNc1ccc(
    NCCNCC[C@H](O)[C@@H](O)CO[P](O)(O)=O)c2C
    (=O)c3cnccc3C(=O)c12; O=P(O)(O)OCC(O)C(O
    )CCNCCNc1ccc(NCCN)c2c1C(=O)c1cnccc1C2=O;
    NCCNc1ccc(NCCNCC[CH](O)[CH](O)CO[P](O)(
    O)=O)c2C(=O)c3cnccc3C(=O)c12; c1cc(c2c(c
    1NCCN)C(=O)c3ccncc3C2=O)NCCNCCC(C(COP(=O
    )(O)O)O)O    		 1-{[2-({6-[(2-aminoethyl)amino]-5,10-dioxo-5,10-dihydrobenzo[g]isoquinolin-9-yl}amino)ethyl]amino}-1,2-dideoxy-5-O-(dihydroxyphosphanyl)-L-threo-pentitol
    27793 LVS 15 C28 H43 I N4 O8 S InChI=1S/C28H43IN4O8S/c1-
    16(2)10-20(8-9-42(7,40)41
    )30-27(36)23(12-18(5)6)32
    -28(37)22(11-17(3)4)31-25
    (34)15-19-13-21(29)26(35)
    24(14-19)33(38)39/h8-9,13
    -14,16-18,20,22-23,35H,10
    -12,15H2,1-7H3,(H,30,36)(
    H,31,34)(H,32,37)/t20-,22
    +,23+/m1/s1;
    RSYTXXARKSZDKY-PUHATCMVSA-N    		 CC(C)C[C@@H](C=CS(=O)(=O)C)NC(=O)[C@H](C
    C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(c(c
    (c1)I)O)[N+](=O)[O-]; CC(C)CC(C=CS(=O)(=
    O)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)
    Cc1cc(c(c(c1)I)O)[N+](=O)[O-]; O=[N+]([O
    -])c1cc(cc(I)c1O)CC(=O)NC(C(=O)NC(C(=O)N
    C(\C=C/S(=O)(=O)C)CC(C)C)CC(C)C)CC(C)C;
    CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](
    CC(C)C)NC(=O)Cc1cc(I)c(O)c(c1)[N+]([O-])
    =O)C=C[S](C)(=O)=O; CC(C)C[C@H](NC(=O)[C
    @H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1c
    c(I)c(O)c(c1)[N+]([O-])=O)\C=C/[S](C)(=O
    )=O    		 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE
    27794 LVT 2 C36 H32 O24 S4 InChI=1S/C36H32O24S4/c37-
    29(38)13-57-33-17-1-18-6-
    26(62(48,49)50)8-20(34(18
    )58-14-30(39)40)3-22-10-2
    8(64(54,55)56)12-24(36(22
    )60-16-32(43)44)4-23-11-2
    7(63(51,52)53)9-21(35(23)
    59-15-31(41)42)2-19(33)7-
    25(5-17)61(45,46)47/h5-12
    H,1-4,13-16H2,(H,37,38)(H
    ,39,40)(H,41,42)(H,43,44)
    (H,45,46,47)(H,48,49,50)(
    H,51,52,53)(H,54,55,56);
    JUMSFKUQLZLREY-UHFFFAOYSA-N    		 c1c(cc2c(c1Cc3cc(cc(c3OCC(=O)O)Cc4cc(cc(
    c4OCC(=O)O)Cc5cc(cc(c5OCC(=O)O)C2)S(=O)(
    =O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O)S(=O
    )(=O)O; OC(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc
    5cc(cc(Cc1cc(c2)[S](O)(=O)=O)c5OCC(O)=O)
    [S](O)(=O)=O)c4OCC(O)=O)[S](O)(=O)=O)c3O
    CC(O)=O)[S](O)(=O)=O    		 octa-anionic calix[4]arene
    27795 LVU
    CHEMBL5198078    		 1 C9 H5 Br2 N3 InChI=1S/C9H5Br2N3/c10-6-
    3-5-8(1-2-12)13-14-9(5)4-
    7(6)11/h3-4H,1H2,(H,13,14
    );
    LIFGJTPUCFFUJO-UHFFFAOYSA-N    		 c1c2c(cc(c1Br)Br)[nH]nc2CC#N; Brc1cc2[nH
    ]nc(CC#N)c2cc1Br    		 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile
    27796 LVV
    CHEMBL1419545
    ZINC000059601259    		 9 C12 H17 N O2 S InChI=1S/C12H17NO2S/c1-11
    -2-4-12(5-3-11)10-13-6-8-
    16(14,15)9-7-13/h2-5H,6-1
    0H2,1H3;
    PBEMXBVPRZGFNM-UHFFFAOYSA-N    		 Cc1ccc(CN2CC[S](=O)(=O)CC2)cc1; Cc1ccc(c
    c1)CN2CCS(=O)(=O)CC2    		 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
    27797 LVW 2 C6 H12 O2 Se InChI=1S/C6H12O2Se/c1-2-3
    -8-4-6(7)5-9/h2,6-7,9H,1,
    3-5H2/t6-/m1/s1;
    YQCUFGFATQCBJJ-ZCFIWIBFSA-N    		 O[C@@H](C[SeH])COCC=C; C=CCOC[C@H](C[SeH
    ])O; O[CH](C[SeH])COCC=C; C=CCOCC(C[SeH]
    )O    		 (2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol
    27798 LVX 1 C25 H32 F2 N4 O5 S InChI=1S/C25H32F2N4O5S/c1
    -36-15-19(31-22(33)17-8-5
    -9-25(26,27)13-17)23(34)3
    0-18(12-16-6-3-2-4-7-16)2
    1(32)24(35)29-14-20-28-10
    -11-37-20/h2-4,6-7,10-11,
    17-19,21,32H,5,8-9,12-15H
    2,1H3,(H,29,35)(H,30,34)(
    H,31,33)/t17-,18-,19-,21+
    /m1/s1;
    PYEYIJGOSSTTFY-XCJLJZCSSA-N    		 COC[CH](NC(=O)[CH]1CCCC(F)(F)C1)C(=O)N[C
    H](Cc2ccccc2)[CH](O)C(=O)NCc3sccn3; COC[
    C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)C(=O)N[C
    @H](Cc2ccccc2)[C@H](O)C(=O)NCc3sccn3; CO
    C[C@H](C(=O)N[C@H](Cc1ccccc1)[C@@H](C(=O
    )NCc2nccs2)O)NC(=O)[C@@H]3CCCC(C3)(F)F;
    COCC(C(=O)NC(Cc1ccccc1)C(C(=O)NCc2nccs2)
    O)NC(=O)C3CCCC(C3)(F)F    		 (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide
    27799 LVY
    ZINC000001997127    		 10 C13 H13 N3 O3 InChI=1S/C13H13N3O3/c14-9
    -3-1-2-7-8(9)6-16(13(7)19
    )10-4-5-11(17)15-12(10)18
    /h1-3,10H,4-6,14H2,(H,15,
    17,18)/t10-/m0/s1;
    GOTYRUGSSMKFNF-JTQLQIEISA-N    		 Nc1cccc2C(=O)N(Cc12)[C@H]3CCC(=O)NC3=O;
    c1cc2c(c(c1)N)CN(C2=O)C3CCC(=O)NC3=O; c1
    cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O;
    O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3)N; Nc1c
    ccc2C(=O)N(Cc12)[CH]3CCC(=O)NC3=O    		 S-Lenalidomide
    27800 LVZ
    ZINC000098209139    		 1 C9 H19 N O11 S2 InChI=1S/C9H19NO11S2/c1-4
    (2)20-9-6(10-22(13,14)15)
    8(12)7(11)5(21-9)3-19-23(
    16,17)18/h4-12H,3H2,1-2H3
    ,(H,13,14,15)(H,16,17,18)
    /t5-,6-,7-,8-,9+/m1/s1;
    OLCFKZNXXBRVTA-OKNNCHMLSA-N    		 CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O
    1)COS(=O)(=O)O)O)O)NS(=O)(=O)O; CC(C)O[C
    H]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[C
    H]1N[S](O)(=O)=O; CC(C)O[C@H]1O[C@H](CO[
    S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](
    O)(=O)=O; CC(C)OC1C(C(C(C(O1)COS(=O)(=O)
    O)O)O)NS(=O)(=O)O; O=S(=O)(O)OCC1OC(OC(C
    )C)C(NS(=O)(=O)O)C(O)C1O    		 propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside;
    propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucoside;
    propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucoside;
    propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-glucoside
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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