Home Research COVID-19 Services Publications People Teaching Job Opening News Forum --> -->
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

Search Ligand

Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

Browse Ligand

  • Click # to view 2D diagram of the ligand.
  • 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 ";".

    • << < 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 > >>
    Go to page
    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    27001 L93 1 C20 H19 F N2 O4 InChI=1S/C20H19FN2O4/c1-1
    2(27-18-6-4-3-5-17(18)26-
    2)11-22-20(25)15-10-19(24
    )23-16-8-7-13(21)9-14(15)
    16/h3-10,12H,11H2,1-2H3,(
    H,22,25)(H,23,24)/t12-/m1
    /s1;
    LZQQUMOUOYPMFQ-GFCCVEGCSA-N    		 CC(CNC(=O)C1=CC(=O)Nc2c1cc(cc2)F)Oc3cccc
    c3OC; COc1ccccc1OC(C)CNC(=O)C1=CC(=O)Nc2
    ccc(F)cc21; C[C@H](CNC(=O)C1=CC(=O)Nc2c1
    cc(cc2)F)Oc3ccccc3OC; COc1ccccc1O[CH](C)
    CNC(=O)C2=CC(=O)Nc3ccc(F)cc23; COc1ccccc
    1O[C@H](C)CNC(=O)C2=CC(=O)Nc3ccc(F)cc23    		 6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
    27002 L94 0 C18 H36 N6 InChI=1S/C18H32N6/c1-23(2
    )13-5-11-21-17(19)15-7-9-
    16(10-8-15)18(20)22-12-6-
    14-24(3)4/h7-10H,5-6,11-1
    4H2,1-4H3,(H2,19,21)(H2,2
    0,22)/p+4;
    QAWYYAYHHZQCLB-UHFFFAOYSA-R    		 C[NH+](C)CCC[NH+]=C(c1ccc(cc1)/C(=[NH+]/
    CCC[NH+](C)C)/N)N; C(/c1ccc(C(/N)=[NH+]/
    CCC[NH+](C)C)cc1)(=[NH+]\CCC[NH+](C)C)N;
    C[NH+](C)CCC[NH+]=C(c1ccc(cc1)C(=[NH+]C
    CC[NH+](C)C)N)N; C[NH+](C)CCC[NH+]=C(N)c
    1ccc(cc1)C(N)=[NH+]CCC[NH+](C)C    		 N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium
    27003 L95 2 C32 H55 N O7 InChI=1S/C32H55NO7/c1-9-1
    0-11-22(5)31(40-32(33)38)
    25(8)30(37)24(7)17-19(2)1
    6-23(6)29(36)21(4)12-14-2
    6(34)18-27-20(3)13-15-28(
    35)39-27/h10-12,14,16,20-
    27,29-31,34,36-37H,9,13,1
    5,17-18H2,1-8H3,(H2,33,38
    )/b11-10-,14-12-,19-16-/t
    20-,21+,22+,23+,24+,25+,2
    6-,27+,29+,30-,31+/m1/s1;
    XRDTVASNFUHSII-UZNMEARNSA-N    		 CCC=CC(C)C(C(C)C(C(C)CC(=CC(C)C(C(C)C=CC
    (CC1C(CCC(=O)O1)C)O)O)C)O)OC(=O)N; CC/C=
    C\[C@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](
    C)C/C(=C\[C@H](C)[C@H]([C@@H](C)/C=C\[C@
    H](C[C@H]1[C@@H](CCC(=O)O1)C)O)O)/C)O)OC
    (=O)N; CC\C=C/[C@H](C)[C@H](OC(N)=O)[C@@
    H](C)[C@H](O)[C@@H](C)C\C(C)=C/[C@H](C)[
    C@@H](O)[C@@H](C)\C=C/[C@@H](O)C[C@@H]1O
    C(=O)CC[C@H]1C; CCC=C[CH](C)[CH](OC(N)=O
    )[CH](C)[CH](O)[CH](C)CC(C)=C[CH](C)[CH]
    (O)[CH](C)C=C[CH](O)C[CH]1OC(=O)CC[CH]1C    		 [(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-5,7,9,11,13,15-hexamethyl-19-[(2~{S},3~{R})-3-methyl-6-oxidanylidene-oxan-2-yl]-8,14,18-tris(oxidanyl)nonadeca-3,11,16-trien-6-yl] carbamate
    27004 L96
    CHEMBL3814634
    ZINC000584905598    		 1 C28 H31 N3 O3 InChI=1S/C28H31N3O3/c1-16
    (2)34-22-7-5-6-21(14-22)2
    8-27(26-17(3)29-30-18(26)
    4)23-15-20(19-8-9-19)10-1
    1-24(23)31(28)13-12-25(32
    )33/h5-7,10-11,14-16,19H,
    8-9,12-13H2,1-4H3,(H,29,3
    0)(H,32,33);
    YBEJGNSQZJLYDL-UHFFFAOYSA-N    		 O=C(O)CCn1c5c(c(c1c2cccc(c2)OC(C)C)c3c(n
    nc3C)C)cc(C4CC4)cc5; CC(C)Oc1cccc(c1)c2n
    (CCC(O)=O)c3ccc(cc3c2c4c(C)[nH]nc4C)C5CC
    5; Cc1c(c(n[nH]1)C)c2c3cc(ccc3n(c2c4cccc
    (c4)OC(C)C)CCC(=O)O)C5CC5    		 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1H-indol-1-yl}propanoic acid
    27005 L97
    CHEMBL4639717
    ZINC000000164466    		 1 C5 H5 Cl N2 InChI=1S/C5H5ClN2/c6-5-4(
    7)2-1-3-8-5/h1-3H,7H2;
    MEQBJJUWDCYIAB-UHFFFAOYSA-N    		 Nc1cccnc1Cl; c1cc(c(nc1)Cl)N 2-chloranylpyridin-3-amine
    27006 L98
    DB04723
    ZINC000016051731    		 3 C10 H13 N3 O2 S InChI=1S/C10H13N3O2S/c11-
    10(12)13-7-3-1-2-6(4-7)8(
    5-16)9(14)15/h1-4,8,16H,5
    H2,(H,14,15)(H4,11,12,13)
    /t8-/m1/s1;
    YHBCRXAIIVZWEW-MRVPVSSYSA-N    		 NC(=N)Nc1cccc(c1)[C@@H](CS)C(O)=O; O=C(O
    )C(c1cc(NC(=[N@H])N)ccc1)CS; c1cc(cc(c1)
    NC(=N)N)[C@@H](CS)C(=O)O; NC(=N)Nc1cccc(
    c1)[CH](CS)C(O)=O; c1cc(cc(c1)NC(=N)N)C(
    CS)C(=O)O    		 (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID;
    2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID
    27007 L99
    ZINC000000156533    		 1 C7 H10 N4 O InChI=1S/C7H10N4O/c8-5-2-
    1-4(3-6(5)9)7(12)11-10/h1
    -3H,8-10H2,(H,11,12);
    YGCXQTYRSKMILM-UHFFFAOYSA-N    		 NNC(=O)c1ccc(N)c(N)c1; c1cc(c(cc1C(=O)NN
    )N)N    		 3,4-bis(azanyl)benzohydrazide
    27008 L9A
    CHEMBL4438202    		 2 C18 H20 N4 O4 S InChI=1S/C18H20N4O4S/c1-1
    9-18(24)12-10-20-16(22-17
    (23)11-7-8-11)9-14(12)21-
    13-5-3-4-6-15(13)27(2,25)
    26/h3-6,9-11H,7-8H2,1-2H3
    ,(H,19,24)(H2,20,21,22,23
    );
    YGFJMLGZTAWLOO-UHFFFAOYSA-N    		 CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc3ccccc3[S]
    (C)(=O)=O; CNC(=O)c1cnc(cc1Nc2ccccc2S(=O
    )(=O)C)NC(=O)C3CC3; c3(c(Nc2c(cnc(NC(C1C
    C1)=O)c2)C(NC)=O)cccc3)S(C)(=O)=O    		 6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
    27009 L9B
    CHEMBL316582
    ZINC000013825339    		 2 C10 H15 N O3 S InChI=1S/C10H15NO3S/c11-1
    5(13,14)10-6-4-9(5-7-10)3
    -1-2-8-12/h4-7,12H,1-3,8H
    2,(H2,11,13,14);
    NCRQTZXHMKBWLU-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(CCCCO)cc1; c1cc(ccc1CC
    CCO)S(=O)(=O)N    		 4-(4-oxidanylbutyl)benzenesulfonamide
    27010 L9C
    ZINC000003034974    		 1 C23 H22 Cl2 N2 O3 S InChI=1S/C23H22Cl2N2O3S/c
    1-30-19-10-9-17(14-18(19)
    25)27(21(28)15-24)22(20-8
    -5-13-31-20)23(29)26-12-1
    1-16-6-3-2-4-7-16/h2-10,1
    3-14,22H,11-12,15H2,1H3,(
    H,26,29)/t22-/m0/s1;
    UNVKYJSNMVDZJE-QFIPXVFZSA-N    		 COc1ccc(cc1Cl)N([C@@H](c2cccs2)C(=O)NCCc
    3ccccc3)C(=O)CCl; COc1ccc(cc1Cl)N([C@H](
    C(=O)NCCc2ccccc2)c3sccc3)C(=O)CCl; COc1c
    cc(cc1Cl)N([CH](C(=O)NCCc2ccccc2)c3sccc3
    )C(=O)CCl; O=C(CCl)N(C(c1cccs1)C(=O)NCCc
    1ccccc1)c1ccc(OC)c(Cl)c1; COc1ccc(cc1Cl)
    N(C(c2cccs2)C(=O)NCCc3ccccc3)C(=O)CCl    		 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide
    27011 L9D 2 C7 H13 N O6 InChI=1S/C7H13NO6/c8-2-1(
    7(13)14)3(9)5(11)6(12)4(2
    )10/h1-6,9-12H,8H2,(H,13,
    14)/t1-,2+,3+,4-,5-,6-/m0
    /s1;
    POIWYXZEYSYIEW-HOZKJCLWSA-N    		 N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1C
    (O)=O; C1(C(C(C(C(C1O)O)O)O)N)C(=O)O; [C
    @H]1([C@H]([C@@H]([C@H](C([C@@H]1N)O)O)O
    )O)C(=O)O; N[C@H]1[C@H](O)[C@H](O)[C@@H]
    (O)[C@H](O)[C@H]1C(O)=O; C1(C(C(C(C(C1N)
    C(O)=O)O)O)O)O    		 (1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid;
    cyclophellitol-aziridine, open form
    27012 L9E 1 C21 H25 F N4 O2 InChI=1S/C21H25FN4O2/c1-2
    5(12-5-11-23)20(27)15-6-4
    -7-16(14-15)24-18-10-13-2
    6(21(18)28)19-9-3-2-8-17(
    19)22/h2-4,6-9,14,18,24H,
    5,10-13,23H2,1H3/t18-/m0/
    s1;
    FKBZAUSZYONVAZ-SFHVURJKSA-N    		 CN(CCCN)C(=O)c1cccc(c1)N[C@H]2CCN(C2=O)c
    3ccccc3F; CN(CCCN)C(=O)c1cccc(N[CH]2CCN(
    C2=O)c3ccccc3F)c1; CN(CCCN)C(=O)c1cccc(c
    1)NC2CCN(C2=O)c3ccccc3F; CN(CCCN)C(=O)c1
    cccc(N[C@H]2CCN(C2=O)c3ccccc3F)c1    		 N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide;
    (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide
    27013 L9F 1 C14 H10 Cl N3 O2 InChI=1S/C14H10ClN3O2/c15
    -10-4-1-5-11(7-10)18-13(1
    9)12(17-14(18)20)9-3-2-6-
    16-8-9/h1-8,12H,(H,17,20)
    /t12-/m1/s1;
    GSEMEGPVJJVGNC-GFCCVEGCSA-N    		 Clc1cccc(c1)N2C(=O)N[CH](c3cccnc3)C2=O;
    c1cc(cc(c1)Cl)N2C(=O)[C@H](NC2=O)c3cccnc
    3; c1cc(cc(c1)Cl)N2C(=O)C(NC2=O)c3cccnc3
    ; Clc1cccc(c1)N2C(=O)N[C@H](c3cccnc3)C2=
    O; Clc1cccc(c1)N1C(=O)C(NC1=O)c1cccnc1    		 (3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
    27014 L9G
    ZINC000035967902    		 1 C22 H18 F2 N4 O InChI=1S/C22H18F2N4O/c1-1
    3-2-5-16(21(25)29)10-18(1
    3)22-27-26-20-9-4-14(12-2
    8(20)22)3-6-15-7-8-17(23)
    11-19(15)24/h2,4-5,7-12H,
    3,6H2,1H3,(H2,25,29);
    IECIDZDLEJWPAN-UHFFFAOYSA-N    		 Cc1ccc(cc1c2nnc3ccc(CCc4ccc(F)cc4F)cn23)
    C(N)=O; Cc1ccc(cc1c2nnc3n2cc(cc3)CCc4ccc
    (cc4F)F)C(=O)N; Fc1ccc(c(F)c1)CCc3ccc4nn
    c(c2cc(C(=O)N)ccc2C)n4c3    		 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide
    27015 L9H 1 C45 H89 O12 P InChI=1S/C45H89O12P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-31-33-35-54-36
    -38(37-55-58(52,53)57-45-
    43(50)41(48)40(47)42(49)4
    4(45)51)56-39(46)34-32-30
    -28-26-24-22-20-18-16-14-
    12-10-8-6-4-2/h38,40-45,4
    7-51H,3-37H2,1-2H3,(H,52,
    53)/t38-,40-,41-,42+,43-,
    44-,45-/m1/s1;
    DCGQAFILALMHKI-ZUOUNGDVSA-N    		 CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[C
    H]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC
    (=O)CCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCC
    COC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@
    H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
    CC; CCCCCCCCCCCCCCCCCCOC[C@H](CO[P](O)(=
    O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H]
    (O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC; CCCC
    CCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(C(C(C(C
    1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC    		 [(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] octadecanoate
    27016 L9I
    ZINC000012345800    		 19 C6 H9 N O4 InChI=1S/C6H9NO4/c1-3-11-
    6(9)5(7-10)4(2)8/h10H,3H2
    ,1-2H3/b7-5-;
    IACSYDRIOYGJNH-ALCCZGGFSA-N    		 CCOC(=O)C(=N/O)\C(C)=O; CCOC(=O)/C(=N\O)
    /C(=O)C; CCOC(=O)C(=NO)C(C)=O; CCOC(=O)C
    (=NO)C(=O)C    		 ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate
    27017 L9J
    CHEMBL4590489    		 1 C40 H54 F2 N6 O9 S InChI=1S/C40H54F2N6O9S/c1
    -7-23-29-20-48(30(23)33(4
    9)46-40(19-24(40)32(41)42
    )36(51)47-58(53,54)39(5)1
    5-16-39)35(50)31(38(2,3)4
    )45-37(52)57-28-17-21(28)
    11-9-8-10-12-26-34(56-29)
    44-27-18-22(55-6)13-14-25
    (27)43-26/h13-14,18,21,23
    -24,28-32H,7-12,15-17,19-
    20H2,1-6H3,(H,45,52)(H,46
    ,49)(H,47,51)/t21-,23-,24
    +,28-,29+,30+,31-,40-/m1/
    s1;
    DPVUWLGHRRXAAN-SWWTZLGTSA-N    		 CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C
    [C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O
    )[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCCc6c(nc
    7cc(ccc7n6)OC)O2)C(C)(C)C; CC[CH]1[CH]2C
    [N]([CH]1C(=O)N[C]3(C[CH]3C(F)F)C(=O)N[S
    ](=O)(=O)C4(C)CC4)C(=O)[CH](NC(=O)O[CH]5
    C[CH]5CCCCCc6nc7ccc(OC)cc7nc6O2)C(C)(C)C
    ; CC[C@@H]1[C@@H]2C[N@]([C@@H]1C(=O)N[C@
    @]3(C[C@H]3C(F)F)C(=O)N[S](=O)(=O)C4(C)C
    C4)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCC
    Cc6nc7ccc(OC)cc7nc6O2)C(C)(C)C; C34CN(C(
    C(=O)NC2(C(NS(C1(CC1)C)(=O)=O)=O)C(C(F)F
    )C2)C3CC)C(C(C(C)(C)C)NC(=O)OC7C(CCCCCc6
    c(O4)nc5cc(OC)ccc5n6)C7)=O; CCC1C2CN(C1C
    (=O)NC3(CC3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C
    )C(=O)C(NC(=O)OC5CC5CCCCCc6c(nc7cc(ccc7n
    6)OC)O2)C(C)(C)C    		 (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
    27018 L9K 0 C21 H17 N5 O3 S InChI=1S/C21H17N5O3S/c1-3
    0(27,28)16-7-5-14(6-8-16)
    18-12-23-21(26-13-24-25-2
    0(18)26)22-11-15-3-2-4-19
    -17(15)9-10-29-19/h2-10,1
    2-13H,11H2,1H3,(H,22,23);
    ZCKREKXDGMDDHF-UHFFFAOYSA-N    		 CS(=O)(=O)c1ccc(cc1)C2=CNC(=NCc3cccc4c3c
    co4)n5c2nnc5; C[S](=O)(=O)c1ccc(cc1)C2=C
    NC(=NCc3cccc4occc34)n5cnnc25; CS(=O)(=O)
    c1ccc(cc1)C2=CN/C(=N\Cc3cccc4c3cco4)/n5c
    2nnc5    		 (~{E})-~{N}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{H}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine
    27019 L9L
    CHEMBL1081831
    ZINC000049035433    		 2 C21 H19 F3 N4 O S InChI=1S/C21H19F3N4OS/c22
    -21(23,24)15-4-1-12(2-5-1
    5)7-16(25)10-26-20-27-11-
    18(30-20)13-3-6-17-14(8-1
    3)9-19(29)28-17/h1-6,8,11
    ,16H,7,9-10,25H2,(H,26,27
    )(H,28,29)/t16-/m0/s1;
    XPPKIHZJFAAJLB-INIZCTEOSA-N    		 c1cc(ccc1CC(CNc2ncc(s2)c3ccc4c(c3)CC(=O)
    N4)N)C(F)(F)F; N[C@H](CNc1sc(cn1)c2ccc3N
    C(=O)Cc3c2)Cc4ccc(cc4)C(F)(F)F; FC(F)(F)
    c1ccc(cc1)CC(N)CNc2ncc(s2)c4ccc3NC(=O)Cc
    3c4; c1cc(ccc1C[C@@H](CNc2ncc(s2)c3ccc4c
    (c3)CC(=O)N4)N)C(F)(F)F; N[CH](CNc1sc(cn
    1)c2ccc3NC(=O)Cc3c2)Cc4ccc(cc4)C(F)(F)F    		 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one
    27020 L9M
    ZINC000035967385    		 2 C20 H22 N6 S InChI=1S/C20H22N6S/c1-12-
    3-5-14(6-4-12)9-16(21)11-
    22-20-26-25-19(27-20)15-7
    -8-18-17(10-15)13(2)23-24
    -18/h3-8,10,16H,9,11,21H2
    ,1-2H3,(H,22,26)(H,23,24)
    /t16-/m0/s1;
    RJESZRNJZYVXEA-INIZCTEOSA-N    		 Cc1ccc(cc1)CC(CNc2nnc(s2)c3ccc4c(c3)c(n[
    nH]4)C)N; Cc1ccc(C[C@H](N)CNc2sc(nn2)c3c
    cc4[nH]nc(C)c4c3)cc1; Cc1ccc(cc1)C[C@@H]
    (CNc2nnc(s2)c3ccc4c(c3)c(n[nH]4)C)N; Cc1
    ccc(C[CH](N)CNc2sc(nn2)c3ccc4[nH]nc(C)c4
    c3)cc1    		 (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine
    27021 L9N
    ZINC000064746696    		 1 C19 H20 N6 S InChI=1S/C19H20N6S/c1-12-
    2-4-13(5-3-12)8-16(20)11-
    21-19-25-24-18(26-19)14-6
    -7-17-15(9-14)10-22-23-17
    /h2-7,9-10,16H,8,11,20H2,
    1H3,(H,21,25)(H,22,23)/t1
    6-/m0/s1;
    XFEMJTFDPFGXFN-INIZCTEOSA-N    		 n1nc(sc1c3ccc2nncc2c3)NCC(N)Cc4ccc(cc4)C
    ; Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(
    c3)cn[nH]4)N; Cc1ccc(C[C@H](N)CNc2sc(nn2
    )c3ccc4[nH]ncc4c3)cc1; Cc1ccc(cc1)CC(CNc
    2nnc(s2)c3ccc4c(c3)cn[nH]4)N; Cc1ccc(C[C
    H](N)CNc2sc(nn2)c3ccc4[nH]ncc4c3)cc1    		 (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine
    27022 L9O 1 C14 H18 N2 O InChI=1S/C14H18N2O/c1-10-
    4-8-15-9-12(10)16-13(17)1
    1-3-7-14(11)5-2-6-14/h4,8
    -9,11H,2-3,5-7H2,1H3,(H,1
    6,17)/t11-/m1/s1;
    XFQCOLJIUXXMKV-LLVKDONJSA-N    		 Cc1ccncc1NC(=O)[CH]2CCC23CCC3; Cc1ccncc1
    NC(=O)C2CCC23CCC3; O=C(Nc1cnccc1C)C1CCC2
    1CCC2; Cc1ccncc1NC(=O)[C@H]2CCC23CCC3    		 (1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide
    27023 L9P
    CHEMBL4474855
    DB12026    		 1 C40 H52 F4 N6 O9 S InChI=1S/C40H52F4N6O9S/c1
    -7-22-27-19-50(28(22)32(5
    1)48-39(18-23(39)31(41)42
    )35(53)49-60(55,56)38(5)1
    4-15-38)34(52)30(37(2,3)4
    )47-36(54)59-26-16-20(26)
    10-8-9-13-40(43,44)29-33(
    58-27)46-25-17-21(57-6)11
    -12-24(25)45-29/h11-12,17
    ,20,22-23,26-28,30-31H,7-
    10,13-16,18-19H2,1-6H3,(H
    ,47,54)(H,48,51)(H,49,53)
    /t20-,22-,23+,26-,27+,28+
    ,30-,39-/m1/s1;
    MZBLZLWXUBZHSL-FZNJKFJKSA-N    		 C63C(C(C(NC1(C(C1)C(F)F)C(=O)NS(C2(CC2)C
    )(=O)=O)=O)N(C3)C(=O)C(NC(OC7C(CCCCC(c5c
    (nc4c(ccc(c4)OC)n5)O6)(F)F)C7)=O)C(C)(C)
    C)CC; CC[CH]1[CH]2C[N]([CH]1C(=O)N[C]3(C
    [CH]3C(F)F)C(=O)N[S](=O)(=O)C4(C)CC4)C(=
    O)[CH](NC(=O)O[CH]5C[CH]5CCCCC(F)(F)c6nc
    7ccc(OC)cc7nc6O2)C(C)(C)C; CC[C@@H]1[C@@
    H]2C[N@]([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)
    F)C(=O)N[S](=O)(=O)C4(C)CC4)C(=O)[C@@H](
    NC(=O)O[C@@H]5C[C@H]5CCCCC(F)(F)c6nc7ccc
    (OC)cc7nc6O2)C(C)(C)C; CCC1C2CN(C1C(=O)N
    C3(CC3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O
    )C(NC(=O)OC5CC5CCCCC(c6c(nc7cc(ccc7n6)OC
    )O2)(F)F)C(C)(C)C; CC[C@@H]1[C@@H]2CN([C
    @@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=
    O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]
    5C[C@H]5CCCCC(c6c(nc7cc(ccc7n6)OC)O2)(F)
    F)C(C)(C)C    		 Voxilaprevir;
    (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
    27024 L9Q
    ZINC000058649343    		 23 C41 H80 N O8 P InChI=1S/C41H80NO8P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-31-33-40(43)47
    -37-39(38-49-51(45,46)48-
    36-35-42)50-41(44)34-32-3
    0-28-26-24-22-20-18-16-14
    -12-10-8-6-4-2/h18,20,39H
    ,3-17,19,21-38,42H2,1-2H3
    ,(H,45,46)/b20-18-/t39-/m
    0/s1;
    JQKOHRZNEOQNJE-VYCVAHKRSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O
    )OCCN)OC(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCC
    CCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC
    N)OC(=O)CCCCCCC/C=C\CCCCCCCC; CCCCCCCCCC
    CCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC
    (=O)CCCCCCC\C=C/CCCCCCCC; CCCCCCCCCCCCCC
    CCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC
    C=CCCCCCCCC; O=C(OCC(OC(=O)CCCCCCC\C=C/C
    CCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC    		 (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate;
    1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
    27025 L9R 12 C44 H86 N O8 P InChI=1S/C44H86NO8P/c1-6-
    8-10-12-14-16-18-20-22-24
    -26-28-30-32-34-36-43(46)
    50-40-42(41-52-54(48,49)5
    1-39-38-45(3,4)5)53-44(47
    )37-35-33-31-29-27-25-23-
    21-19-17-15-13-11-9-7-2/h
    21,23,42H,6-20,22,24-41H2
    ,1-5H3/b23-21-/t42-/m0/s1;
    ATHVAWFAEPLPPQ-FLHXZNPISA-N    		 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])O
    CC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC;
    CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])
    (=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCC
    CCC; O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)
    COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCC
    CCCCC; CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO
    [P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC
    CCC/C=C\CCCCCCCC; CCCCCCCCCCCCCCCCCC(=O)
    OC[C@@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)O
    C(=O)CCCCCCC\C=C/CCCCCCCC    		 (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate;
    1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine
    27026 L9S
    CHEMBL4564973    		 2 C29 H33 F N8 O2 InChI=1S/C29H33FN8O2/c30-
    23-7-4-8-24(36-11-1-2-12-
    36)26(23)35-29(40)34-21-6
    -3-5-20(17-21)25-18-38(14
    -13-37(25)15-16-39)28-22-
    9-10-31-27(22)32-19-33-28
    /h3-10,17,19,25,39H,1-2,1
    1-16,18H2,(H,31,32,33)(H2
    ,34,35,40)/t25-/m0/s1;
    ZJSNZHATZAWKIQ-VWLOTQADSA-N    		 c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)C4C
    N(CCN4CCO)c5c6cc[nH]c6ncn5; c1cc(cc(c1)N
    C(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4C
    CO)c5c6cc[nH]c6ncn5; OCCN1CCN(C[CH]1c2cc
    cc(NC(=O)Nc3c(F)cccc3N4CCCC4)c2)c5ncnc6[
    nH]ccc56; C4N(C(c1cccc(c1)NC(Nc3c(cccc3N
    2CCCC2)F)=O)CN(C4)c5ncnc6c5ccn6)CCO; OCC
    N1CCN(C[C@H]1c2cccc(NC(=O)Nc3c(F)cccc3N4
    CCCC4)c2)c5ncnc6[nH]ccc56    		 N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea
    27027 L9T
    CHEMBL5191512    		 1 C16 H16 N4 O2 S InChI=1S/C16H16N4O2S/c1-1
    0-15(12-6-7-20(2)19-12)23
    -16(18-10)17-8-11-4-3-5-1
    3-14(11)22-9-21-13/h3-7H,
    8-9H2,1-2H3,(H,17,18);
    VRBFSPXSSUIMQI-UHFFFAOYSA-N    		 Cn1ccc(n1)c2sc(NCc3cccc4OCOc34)nc2C; Cc1
    c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C    		 N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
    27028 L9U
    ZINC000009877354    		 2 C7 H8 Br N O S InChI=1S/C7H8BrNOS/c8-4-7
    (10)9-5-6-2-1-3-11-6/h1-3
    H,4-5H2,(H,9,10);
    XFGFQNGEXUDOOD-UHFFFAOYSA-N    		 BrCC(=O)NCc1sccc1; O=C(NCc1cccs1)CBr; c1
    cc(sc1)CNC(=O)CBr    		 2-bromo-N-[(thiophen-2-yl)methyl]acetamide
    27029 L9W 8 C21 H19 N5 O3 S InChI=1S/C21H19N5O3S/c1-3
    0(27,28)16-7-5-14(6-8-16)
    18-12-23-21(26-13-24-25-2
    0(18)26)22-11-15-3-2-4-19
    -17(15)9-10-29-19/h2-8,12
    -13H,9-11H2,1H3,(H,22,23);
    GDDMEOORUYUIJL-UHFFFAOYSA-N    		 C[S](=O)(=O)c1ccc(cc1)c2cnc(NCc3cccc4OCC
    c34)n5cnnc25; CS(=O)(=O)c1ccc(cc1)c2cnc(
    n3c2nnc3)NCc4cccc5c4CCO5    		 N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
    27030 L9X
    ZINC000058655632    		 2 C16 H24 N4 O8 S InChI=1S/C16H24N4O8S/c1-2
    -20-12(22)5-10(15(20)26)2
    9-7-9(14(25)18-6-13(23)24
    )19-11(21)4-3-8(17)16(27)
    28/h8-10H,2-7,17H2,1H3,(H
    ,18,25)(H,19,21)(H,23,24)
    (H,27,28)/t8-,9-,10+/m0/s
    1;
    QCPAUAAIPLHRLB-LPEHRKFASA-N    		 CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)NCC(=
    O)O)NC(=O)CCC(C(=O)O)N; CCN1C(=O)CC(C1=O
    )SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N; C
    CN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)
    =O)C(=O)NCC(O)=O)C1=O; CCN1C(=O)C[C@@H](
    SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(
    O)=O)C1=O    		 L-gamma-glutamyl-S-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine
    27031 L9Y
    CHEMBL3350262
    ZINC000007992836    		 0 C22 H28 Cl2 O4 InChI=1S/C22H28Cl2O4/c1-2
    -3-10-22(15-7-4-5-8-15)13
    -14-12-16(28-11-6-9-17(25
    )26)19(23)20(24)18(14)21(
    22)27/h12,15H,2-11,13H2,1
    H3,(H,25,26)/t22-/m0/s1;
    KHKGTPJPBOQECW-QFIPXVFZSA-N    		 CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCC(=
    O)O)C3CCCC3; CCCCC1(C(c2c(C1)cc(c(c2Cl)C
    l)OCCCC(=O)O)=O)C3CCCC3; CCCC[C@]1(Cc2cc
    (OCCCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3; CC
    CCC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCC(=O)O)C
    3CCCC3; CCCC[C]1(Cc2cc(OCCCC(O)=O)c(Cl)c
    (Cl)c2C1=O)C3CCCC3    		 4-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid
    27032 L9Z 4 C8 H15 N O5 InChI=1S/C8H15NO5/c9-3-8(
    14)2-4(7(12)13)1-5(10)6(8
    )11/h4-6,10-11,14H,1-3,9H
    2,(H,12,13)/t4-,5+,6-,8-/
    m0/s1;
    YNLZKDMNCIPLRS-GCJQMDKQSA-N    		 NC[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O
    )=O; C1C(CC(C(C1O)O)(CN)O)C(=O)O; C1[C@@
    H](C[C@@]([C@H]([C@@H]1O)O)(CN)O)C(=O)O;
    NC[C]1(O)C[CH](C[CH](O)[CH]1O)C(O)=O    		 (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
    27033 LA
    DB14579    		 25 La InChI=1S/La/q+3;
    CZMAIROVPAYCMU-UHFFFAOYSA-N    		 [La+3] LANTHANUM (III) ION
    27034 LA1
    CHEMBL446435
    DB04724
    ZINC000016051670    		 1 C33 H36 N4 O3 InChI=1S/C33H36N4O3/c1-22
    (2)16-30-33(40)36(29(32(3
    9)34-3)19-23-12-13-25-8-4
    -5-9-26(25)17-23)15-14-31
    (38)37(30)21-24-18-27-10-
    6-7-11-28(27)35-20-24/h4-
    13,17-18,20,22,29-30H,14-
    16,19,21H2,1-3H3,(H,34,39
    )/t29-,30-/m0/s1;
    COVPLULNDBDXTN-KYJUHHDHSA-N    		 CC(C)C[C@H]1C(=O)N(CCC(=O)N1Cc2cc3ccccc3
    nc2)[C@@H](Cc4ccc5ccccc5c4)C(=O)NC; CNC(
    =O)[C@H](Cc1ccc2ccccc2c1)N3CCC(=O)N(Cc4c
    nc5ccccc5c4)[C@@H](CC(C)C)C3=O; O=C(NC)C
    (N1C(=O)C(N(C(=O)CC1)Cc2cc3ccccc3nc2)CC(
    C)C)Cc5cc4ccccc4cc5; CNC(=O)[CH](Cc1ccc2
    ccccc2c1)N3CCC(=O)N(Cc4cnc5ccccc5c4)[CH]
    (CC(C)C)C3=O; CC(C)CC1C(=O)N(CCC(=O)N1Cc
    2cc3ccccc3nc2)C(Cc4ccc5ccccc5c4)C(=O)NC    		 (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE;
    (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE
    27035 LA2
    ZINC000058649436    		 0 C14 H28 N2 O3 S2 InChI=1S/C14H28N2O3S2/c15
    -12(14(18)19)6-3-4-9-16-1
    3(17)7-2-1-5-11(21)8-10-2
    0/h11-12,20-21H,1-10,15H2
    ,(H,16,17)(H,18,19)/t11-,
    12+/m1/s1;
    AYZPHCCEYJWVJC-NEPJUHHUSA-N    		 N[C@@H](CCCCNC(=O)CCCC[C@@H](S)CCS)C(O)=
    O; C(CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@H](
    CCS)S; N[CH](CCCCNC(=O)CCCC[CH](S)CCS)C(
    O)=O; C(CCC(=O)NCCCCC(C(=O)O)N)CC(CCS)S;
    O=C(O)C(N)CCCCNC(=O)CCCCC(S)CCS    		 N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine;
    lipoyllysine
    27036 LA3
    CHEMBL8432
    ZINC000013436317    		 5 C27 H26 N2 O6 InChI=1S/C27H26N2O6/c30-2
    2-12-19-3-1-2-4-21(19)26(
    22)28-27(32)20(14-25(31)2
    9-33)11-16-5-7-17(8-6-16)
    18-9-10-23-24(13-18)35-15
    -34-23/h1-10,13,20,22,26,
    30,33H,11-12,14-15H2,(H,2
    8,32)(H,29,31)/t20-,22-,2
    6+/m1/s1;
    MJTVUROZTDIMFT-MZEQIWSPSA-N    		 c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3c
    cc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O; ONC(=
    O)C[C@@H](Cc1ccc(cc1)c2ccc3OCOc3c2)C(=O)
    N[C@@H]4[C@H](O)Cc5ccccc45; ONC(=O)C[CH]
    (Cc1ccc(cc1)c2ccc3OCOc3c2)C(=O)N[CH]4[CH
    ](O)Cc5ccccc45; c1ccc2c(c1)CC(C2NC(=O)C(
    Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O    		 (2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide;
    (R)-2-(4-(benzo[d][1,3]dioxol-5-yl)benzyl)-N4-hydroxy-N1-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl) succinamide
    27037 LA4 0 C24 H42 O21 InChI=1S/C24H42O21/c25-1-
    5-9(29)13(33)14(34)22(40-
    5)44-19-11(31)7(3-27)42-2
    4(16(19)36)45-20-12(32)8(
    4-28)41-23(17(20)37)43-18
    -10(30)6(2-26)39-21(38)15
    (18)35/h5-38H,1-4H2/t5-,6
    -,7-,8-,9-,10-,11-,12-,13
    +,14-,15-,16-,17-,18+,19+
    ,20+,21-,22+,23+,24+/m1/s
    1;
    OLBQXBHLZOAVSV-SPIWUIBRSA-N    		 C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC
    3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)
    O)O)O)O; C([C@@H]1[C@H]([C@@H]([C@H]([C@
    @H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C
    @H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([
    C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H](
    [C@H](O4)CO)O)O)O)O)O)O)O; OC[C@H]1O[C@@
    H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@
    H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@
    @H](O)[C@H](O)O[C@H](CO)[C@H]4O)[C@@H]3O
    )[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O; OC[
    CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[C
    H]3[CH](O)[CH](CO)O[CH](O[CH]4[CH](O)[CH
    ](O)O[CH](CO)[CH]4O)[CH]3O)[CH]2O)[CH](O
    )[CH](O)[CH]1O; C1(C(C(O)C(OC1OC2C(C(OC(
    C2O)CO)OC3C(C(OC(C3O)CO)OC4C(C(OC(C4O)CO
    )O)O)O)O)CO)O)O    		 beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranose
    27038 LA5 0 C30 H52 O26 InChI=1S/C30H52O26/c31-1-
    6-11(36)16(41)17(42)27(49
    -6)54-23-13(38)8(3-33)51-
    29(19(23)44)56-25-15(40)1
    0(5-35)52-30(21(25)46)55-
    24-14(39)9(4-34)50-28(20(
    24)45)53-22-12(37)7(2-32)
    48-26(47)18(22)43/h6-47H,
    1-5H2/t6-,7-,8-,9-,10-,11
    -,12-,13-,14-,15-,16+,17-
    ,18-,19-,20-,21-,22+,23+,
    24+,25+,26-,27+,28+,29+,3
    0+/m1/s1;
    UUQINGLDFWYORW-RJVMBZMCSA-N    		 C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC
    3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C
    (C(C(C(O5)CO)O)O)O)O)O)O)O)O; C1(C(C(C(C
    (O1)CO)O)O)O)OC5C(C(OC(OC2C(C(OC(C2O)OC4
    C(C(OC(OC3C(C(OC(O)C3O)CO)O)C4O)CO)O)CO)
    O)C5O)CO)O; OC[CH]1O[CH](O[CH]2[CH](O)[C
    H](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH](O
    [CH]4[CH](O)[CH](CO)O[CH](O[CH]5[CH](O)[
    CH](O)O[CH](CO)[CH]5O)[CH]4O)[CH]3O)[CH]
    2O)[CH](O)[CH](O)[CH]1O; C([C@@H]1[C@H](
    [C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]
    ([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H
    ]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@
    H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@
    @H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O
    )O)O; OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@
    @H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)
    O[C@@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H]
    (O[C@@H]5[C@@H](O)[C@H](O)O[C@H](CO)[C@H
    ]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@H](O)[
    C@@H](O)[C@@H]1O    		 beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranose
    27039 LA6
    ZINC000013539357    		 6 C10 H19 F O7 P2 InChI=1S/C10H19FO7P2/c1-8
    (2)5-4-6-9(3)10(11)7-17-2
    0(15,16)18-19(12,13)14/h5
    H,4,6-7H2,1-3H3,(H,15,16)
    (H2,12,13,14)/b10-9+;
    BYJNSLXDWGDGAC-MDZDMXLPSA-N    		 CC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)
    =O; CC(C)=CCCC(/C)=C(F)\CO[P](O)(=O)O[P]
    (O)(O)=O; CC(=CCC/C(=C(\CO[P@@](=O)(O)OP
    (=O)(O)O)/F)/C)C; CC(=CCCC(=C(COP(=O)(O)
    OP(=O)(O)O)F)C)C; O=P(O)(O)OP(=O)(OCC(/F
    )=C(/C)CC\C=C(/C)C)O    		 (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
    27040 LA7
    CHEMBL1579537
    ZINC000000152878    		 1 C7 H9 N O2 InChI=1S/C7H9NO2/c1-5-2-3
    -7(10)6(4-9)8-5/h2-3,9-10
    H,4H2,1H3;
    PAGTXDLKXRBHFL-UHFFFAOYSA-N    		 Cc1ccc(c(n1)CO)O; Oc1ccc(nc1CO)C; Cc1ccc
    (O)c(CO)n1    		 2-(hydroxymethyl)-6-methylpyridin-3-ol
    27041 LA8
    ZINC000031977053    		 3 C10 H15 N5 O10 P2 InChI=1S/C10H15N5O10P2/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-7(17)6(16)4(24-10)1
    -23-27(21,22)25-26(18,19)
    20/h2-4,6-7,10,16-17H,1H2
    ,(H,21,22)(H2,11,12,13)(H
    2,18,19,20)/t4-,6-,7-,10-
    /m0/s1;
    XTWYTFMLZFPYCI-DEGSGYPDSA-N    		 c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@
    @H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N; Nc
    1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P
    ](O)(O)=O)[CH](O)[CH]3O; O=P(O)(O)OP(=O)
    (O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O; Nc1n
    cnc2n(cnc12)[C@H]3O[C@@H](CO[P](O)(=O)O[
    P](O)(O)=O)[C@H](O)[C@@H]3O; c1nc(c2c(n1
    )n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O
    )O)N    		 L-ADENOSINE-5'-DIPHOSPHATE;
    L-ADP
    27042 LA9
    CHEMBL4528407
    ZINC000263620905    		 2 C21 H33 N2 O6 P InChI=1S/C21H33N2O6P/c1-1
    4(2)12-19(22-15(3)24)20(2
    5)23-16(4)30(28,29)13-18(
    21(26)27)11-10-17-8-6-5-7
    -9-17/h5-9,14,16,18-19H,1
    0-13H2,1-4H3,(H,22,24)(H,
    23,25)(H,26,27)(H,28,29)/
    t16-,18-,19+/m1/s1;
    PRXYUEILDUCTTM-QRQLOZEOSA-N    		 CC(C)CC(C(=O)NC(C)P(=O)(CC(CCc1ccccc1)C(
    =O)O)O)NC(=O)C; O=C(NC(C(=O)NC(C)P(=O)(O
    )CC(C(=O)O)CCc1ccccc1)CC(C)C)C; C[C@H](N
    C(=O)[C@H](CC(C)C)NC(=O)C)P(=O)(C[C@@H](
    CCc1ccccc1)C(=O)O)O; CC(C)C[CH](NC(C)=O)
    C(=O)N[CH](C)[P](O)(=O)C[CH](CCc1ccccc1)
    C(O)=O; CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]
    (C)[P](O)(=O)C[C@@H](CCc1ccccc1)C(O)=O    		 (2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid;
    Acetyl-Leu-Ala-y(PO2CH2)-homoPhe-OH
    27043 LAA 0 C4 H8 N2 O4 InChI=1S/C4H8N2O4/c5-1(3(
    6)8)2(7)4(9)10/h1-2,7H,5H
    2,(H2,6,8)(H,9,10)/t1-,2+
    /m0/s1;
    XTAAXERUXNEDCQ-NHYDCYSISA-N    		 [C@H]([C@H](C(=O)O)O)(C(=O)N)N; N[CH]([C
    H](O)C(O)=O)C(N)=O; O=C(N)C(N)C(O)C(=O)O
    ; C(C(C(=O)O)O)(C(=O)N)N; N[C@@H]([C@@H]
    (O)C(O)=O)C(N)=O    		 (3R)-3-hydroxy-L-alpha-asparagine
    27044 LAB
    CHEMBL411879
    DB08080
    ZINC000005751767    		 45 C20 H29 N O5 S InChI=1S/C20H29NO5S/c1-13
    -5-3-4-6-14(2)9-18(22)25-
    16-10-15(8-7-13)26-20(24,
    11-16)17-12-27-19(23)21-1
    7/h3,5,9,13,15-17,24H,4,6
    -8,10-12H2,1-2H3,(H,21,23
    )/b5-3-,14-9-/t13-,15-,16
    -,17+,20-/m1/s1;
    NSHPHXHGRHSMIK-JRIKCGFMSA-N    		 O=C3OC2CC(OC(O)(C1NC(=O)SC1)C2)CCC(C=CCC
    C(=C3)C)C; C[C@H]\1CC[C@@H]2C[C@H](C[C@@
    ](O)(O2)[C@@H]3CSC(=O)N3)OC(=O)\C=C(C)/C
    C\C=C\1; C[C@H]\1CC[C@@H]2C[C@H](C[C@@](
    O2)([C@@H]3CSC(=O)N3)O)OC(=O)\C=C(/CC\C=
    C1)\C; CC1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC
    (=O)C=C(CCC=C1)C; C[CH]1CC[CH]2C[CH](C[C
    ](O)(O2)[CH]3CSC(=O)N3)OC(=O)C=C(C)CCC=C
    1    		 LATRUNCULIN B
    27045 LAC
    CHEMBL358850
    DB03066
    ZINC000004658562    		 9 C3 H6 O3 InChI=1S/C3H6O3/c1-2(4)3(
    5)6/h2,4H,1H3,(H,5,6)/t2-
    /m1/s1;
    JVTAAEKCZFNVCJ-UWTATZPHSA-N    		 O=C(O)C(O)C; C[CH](O)C(O)=O; C[C@H](C(=O
    )O)O; C[C@@H](O)C(O)=O; CC(C(=O)O)O    		 LACTIC ACID
    27046 LAD
    ZINC000013549831    		 3 C16 H26 N7 O8 P InChI=1S/C16H26N7O8P/c17-
    4-2-1-3-8(18)16(26)31-32(
    27,28)29-5-9-11(24)12(25)
    15(30-9)23-7-22-10-13(19)
    20-6-21-14(10)23/h6-9,11-
    12,15,24-25H,1-5,17-18H2,
    (H,27,28)(H2,19,20,21)/t8
    -,9+,11+,12+,15+/m0/s1;
    RZWIOOBQBMRZTQ-OPYVMVOTSA-N    		 O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O
    )C3O)C(N)CCCCN; c1nc(c2c(n1)n(cn2)C3C(C(
    C(O3)COP(=O)(O)OC(=O)C(CCCCN)N)O)O)N; NC
    CCC[C@H](N)C(=O)O[P@@](O)(=O)OC[C@H]1O[C
    @H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; N
    CCCC[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH](
    [CH](O)[CH]1O)n2cnc3c(N)ncnc23; c1nc(c2c
    (n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C
    O[P@@](=O)(O)OC(=O)[C@H](CCCCN)N)O)O)N    		 ADENOSINE-5'-[LYSYL-PHOSPHATE]
    27047 LAE
    CHEMBL463321
    DB08081
    ZINC000004102231    		 14 C12 H19 N O4 InChI=1S/C12H19NO4/c1-2-3
    -4-5-9(14)8-11(15)13-10-6
    -7-17-12(10)16/h10H,2-8H2
    ,1H3,(H,13,15)/t10-/m0/s1;
    FXCMGCFNLNFLSH-JTQLQIEISA-N    		 O=C1OCCC1NC(=O)CC(=O)CCCCC; CCCCCC(=O)CC
    (=O)NC1CCOC1=O; CCCCCC(=O)CC(=O)N[CH]1CC
    OC1=O; CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O    		 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE;
    N-(3-OXO-OCTANAL-1-YL)-HOMOSERINE LACTONE
    27048 LAF
    DB02828    		 4 C5 H7 F O3 InChI=1S/C5H7FO3/c6-3-4(7
    )1-2-5(8)9/h1-3H2,(H,8,9);
    MBVLGMJBSFUHKW-UHFFFAOYSA-N    		 C(CC(=O)O)C(=O)CF; FCC(=O)CCC(=O)O; OC(=
    O)CCC(=O)CF    		 5-FLUOROLEVULINIC ACID
    27049 LAG
    CHEMBL1233953
    DB01922
    ZINC000064460049    		 1 C18 H32 N2 O15 InChI=1S/C18H32N2O15/c21-
    1-4-14(9(26)11(28)16(19-4
    )20-31)34-18-13(30)10(27)
    15(6(3-23)33-18)35-17-12(
    29)8(25)7(24)5(2-22)32-17
    /h4-15,17-18,21-31H,1-3H2
    ,(H,19,20)/t4-,5-,6-,7-,8
    +,9-,10-,11-,12-,13-,14-,
    15-,17-,18-/m1/s1;
    AHRWQUNEPBVNOT-IVJVVCOPSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)
    O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2
    )CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3
    )CO)O)O)O)O)O)O; O(C1C(O)C(O)C(=N\O)\NC1
    CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)C
    O; C(C1C(C(C(C(=NO)N1)O)O)OC2C(C(C(C(O2)
    CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O; OC[C@H]
    1NC(=N\O)/[C@H](O)[C@@H](O)[C@@H]1O[C@H]
    2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H
    ](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O; OC[
    CH]1NC(=NO)[CH](O)[CH](O)[CH]1O[CH]2O[CH
    ](CO)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[
    CH]3O)[CH](O)[CH]2O    		 MALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE OXIME;
    MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM
    27050 LAH
    ZINC000263620919    		 1 C8 H17 O8 P InChI=1S/C8H17O8P/c1-4(2)
    15-17(12,13)16-7-6(10)5(9
    )3-14-8(7)11/h4-11H,3H2,1
    -2H3,(H,12,13)/t5-,6-,7+,
    8+/m0/s1;
    PYOXTDKMFCLRNS-RULNZFCNSA-N    		 CC(C)O[P](O)(=O)O[CH]1[CH](O)OC[CH](O)[C
    H]1O; CC(C)OP(=O)(O)O[C@@H]1[C@H]([C@H](
    CO[C@H]1O)O)O; O=P(OC1C(O)C(O)COC1O)(OC(
    C)C)O; CC(C)OP(=O)(O)OC1C(C(COC1O)O)O; C
    C(C)O[P](O)(=O)O[C@H]1[C@H](O)OC[C@H](O)
    [C@@H]1O    		 2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose;
    2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinose;
    2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-L-arabinose;
    2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-arabinose
    27051 LAI
    DB16873
    ZINC000002508230    		 2 C5 H10 O5 InChI=1S/C5H10O5/c6-1-3(8
    )5(10)4(9)2-7/h1,3-5,7-10
    H,2H2/t3-,4-,5+/m0/s1;
    PYMYPHUHKUWMLA-VAYJURFESA-N    		 C([C@@H]([C@@H]([C@H](C=O)O)O)O)O; OCC(C
    (C(C=O)O)O)O; OC[CH](O)[CH](O)[CH](O)C=O
    ; C(C(C(C(C=O)O)O)O)O; OC[C@H](O)[C@H](O
    )[C@@H](O)C=O    		 L-arabinose
    27052 LAJ
    CHEMBL4598367    		 2 C18 H18 N6 O3 S InChI=1S/C18H18N6O3S/c1-1
    9-18(25)17-13(21-12-7-3-4
    -8-14(12)28(2,26)27)11-16
    (23-24-17)22-15-9-5-6-10-
    20-15/h3-11H,1-2H3,(H,19,
    25)(H2,20,21,22,23);
    KUHISBZXQSKCLH-UHFFFAOYSA-N    		 CNC(=O)c1c(cc(nn1)Nc2ccccn2)Nc3ccccc3S(=
    O)(=O)C; c3(Nc1nnc(c(c1)Nc2c(cccc2)S(C)(
    =O)=O)C(NC)=O)ccccn3; CNC(=O)c1nnc(Nc2cc
    ccn2)cc1Nc3ccccc3[S](C)(=O)=O    		 N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide
    27053 LAK 0 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    3-5(14)8(17)10(19)12(23-3
    )21-2-4-6(15)7(16)9(18)11
    (20)22-4/h3-20H,1-2H2/t3-
    ,4-,5+,6-,7+,8+,9-,10-,11
    -,12-/m1/s1;
    DLRVVLDZNNYCBX-VHBGUFLRSA-N    		 OC[CH]1O[CH](OC[CH]2O[CH](O)[CH](O)[CH](
    O)[CH]2O)[CH](O)[CH](O)[CH]1O; C([C@@H]1
    [C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[
    C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)
    O)O; C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O
    )O)O)O)O)O; O(CC1OC(O)C(O)C(O)C1O)C2OC(C
    (O)C(O)C2O)CO; OC[C@H]1O[C@@H](OC[C@H]2O
    [C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]
    (O)[C@@H](O)[C@H]1O    		 BETA-D-GALACTOPYRANOSYL-1-6-BETA-D-GLUCOPYRANOSE;
    ALLOLACTOSE
    27054 LAL
    DB02167
    ZINC000004829414    		 0 C5 H11 N O2 InChI=1S/C5H11NO2/c1-4(5(
    7)8)6(2)3/h4H,1-3H3,(H,7,
    8)/t4-/m0/s1;
    QCYOIFVBYZNUNW-BYPYZUCNSA-N    		 C[C@@H](C(=O)O)N(C)C; C[C@H](N(C)C)C(O)=
    O; C[CH](N(C)C)C(O)=O; CC(C(=O)O)N(C)C;
    O=C(O)C(N(C)C)C    		 N,N-DIMETHYL-L-ALANINE
    27055 LAM
    DB03990    		 4 C24 H35 N O17 S InChI=1S/C24H35NO17S/c26-
    5-10-13(29)16(32)17(33)24
    (41-10)43-21-15(31)12(7-2
    8)40-23(19(21)35)42-20-14
    (30)11(6-27)39-22(18(20)3
    4)38-9-3-1-8(2-4-9)25(36)
    37/h1-4,10-24,26-35H,5-7H
    2/t10-,11?,12-,13-,14?,15
    -,16+,17-,18?,19-,20?,21+
    ,22?,23+,24+/m1/s1;
    VWNONHZCCMYIGR-VGNFVTAUSA-N    		 c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O
    )OC3C(C(C(C(O3)CO)O)SC4C(C(C(C(O4)CO)O)O
    )O)O)O; OCC1OC(Oc2ccc(cc2)[N+]([O-])=O)C
    (O)C(O[CH]3O[CH](CO)[CH](O)[CH](S[CH]4O[
    CH](CO)[CH](O)[CH](O)[CH]4O)[CH]3O)C1O;
    c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O
    )O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)
    O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO
    )O)O)O)O)O; OCC1OC(Oc2ccc(cc2)[N+]([O-])
    =O)C(O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H
    ](S[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@
    H]4O)[C@H]3O)C1O; [O-][N+](=O)c4ccc(OC3O
    C(CO)C(O)C(OC2OC(CO)C(O)C(SC1OC(C(O)C(O)
    C1O)CO)C2O)C3O)cc4    		 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE;
    4'-NITROPHENYL-3I-THIOLAMINARITRIOSIDE
    27056 LAN
    CHEMBL225111
    DB03696
    ZINC000003870056    		 8 C30 H50 O InChI=1S/C30H50O/c1-20(2)
    10-9-11-21(3)22-14-18-30(
    8)24-12-13-25-27(4,5)26(3
    1)16-17-28(25,6)23(24)15-
    19-29(22,30)7/h10,21-22,2
    5-26,31H,9,11-19H2,1-8H3/
    t21-,22-,25+,26+,28-,29-,
    30+/m1/s1;
    CAHGCLMLTWQZNJ-BQNIITSRSA-N    		 CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC
    (C4(C)C)O)C)C)C; C[C@H](CCC=C(C)C)[C@H]1
    CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@
    H](O)C(C)(C)[C@@H]4CC3; C[C@H](CCC=C(C)C
    )[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[
    C@@]3(CC[C@@H](C4(C)C)O)C)C)C; C[CH](CCC
    =C(C)C)[CH]1CC[C]2(C)C3=C(CC[C]12C)[C]4(
    C)CC[CH](O)C(C)(C)[CH]4CC3; OC4C(C3CCC1=
    C(CCC2(C(C(C)CC\C=C(/C)C)CCC12C)C)C3(C)C
    C4)(C)C    		 LANOSTEROL
    27057 LAO
    ZINC000263620940    		 7 C5 H11 O8 P InChI=1S/C5H11O8P/c6-2-1-
    12-5(8)4(3(2)7)13-14(9,10
    )11/h2-8H,1H2,(H2,9,10,11
    )/t2-,3-,4+,5+/m0/s1;
    QIAIUTJEZJIPSH-QMKXCQHVSA-N    		 O[C@H]1CO[C@@H](O)[C@H](O[P](O)(O)=O)[C@
    H]1O; C1C(C(C(C(O1)O)OP(=O)(O)O)O)O; O=P
    (OC1C(O)C(O)COC1O)(O)O; C1[C@@H]([C@@H](
    [C@H]([C@@H](O1)O)OP(=O)(O)O)O)O; O[CH]1
    CO[CH](O)[CH](O[P](O)(O)=O)[CH]1O    		 2-O-phosphono-alpha-L-arabinopyranose;
    2-O-phosphono-alpha-L-arabinose;
    2-O-phosphono-L-arabinose;
    2-O-phosphono-arabinose
    27058 LAP
    DB01707    		 6 C20 H43 N O7 P InChI=1S/C20H42NO7P/c1-5-
    6-7-8-9-10-11-12-13-14-20
    (23)26-17-19(22)18-28-29(
    24,25)27-16-15-21(2,3)4/h
    19,22H,5-18H2,1-4H3/p+1;
    BWKILASWCLJPBO-UHFFFAOYSA-O    		 CCCCCCCCCCCC(=O)OCC(O)CO[P](O)(=O)OCC[N+
    ](C)(C)C; CCCCCCCCCCCC(=O)OC[C@H](CO[P@@
    ](=O)(O)OCC[N+](C)(C)C)O; CCCCCCCCCCCC(=
    O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O; O=C(OC
    C(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC    		 [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM;
    L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL
    27059 LAQ
    ZINC000016051950    		 7 C18 H26 N5 O8 P S2 InChI=1S/C18H26N5O8PS2/c1
    9-16-13-17(21-8-20-16)23(
    9-22-13)18-15(26)14(25)11
    (30-18)7-29-32(27,28)31-1
    2(24)4-2-1-3-10-5-6-33-34
    -10/h8-11,14-15,18,25-26H
    ,1-7H2,(H,27,28)(H2,19,20
    ,21)/t10-,11-,14-,15-,18-
    /m1/s1;
    QWEGOCJRZOKSOE-ADUAKINBSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    C(=O)CCCCC4CCSS4)O)O)N; c1nc(c2c(n1)n(cn
    2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=
    O)(O)OC(=O)CCCC[C@@H]4CCSS4)O)O)N; Nc1nc
    nc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)OC
    (=O)CCCC[C@@H]4CCSS4)[C@@H](O)[C@H]3O; O
    =P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OC
    (=O)CCCCC4SSCC4; Nc1ncnc2n(cnc12)[CH]3O[
    CH](CO[P](O)(=O)OC(=O)CCCC[CH]4CCSS4)[CH
    ](O)[CH]3O    		 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE;
    LIPOYL-AMP
    27060 LAR
    CHEMBL404116
    DB02621
    ZINC000005766575    		 24 C22 H31 N O5 S InChI=1S/C22H31NO5S/c1-15
    -7-5-3-4-6-8-16(2)11-20(2
    4)27-18-12-17(10-9-15)28-
    22(26,13-18)19-14-29-21(2
    5)23-19/h3-5,7,11,15,17-1
    9,26H,6,8-10,12-14H2,1-2H
    3,(H,23,25)/b4-3+,7-5-,16
    -11-/t15-,17-,18-,19+,22-
    /m1/s1;
    DDVBPZROPPMBLW-IZGXTMSKSA-N    		 C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H
    ]3CSC(=O)N3)O)OC(=O)/C=C(\CC/C=C/C=C1)/C
    ; C[C@H]\1CC[C@@H]2C[C@H](C[C@@](O)(O2)[
    C@@H]3CSC(=O)N3)OC(=O)\C=C(C)/CC\C=C\C=C
    \1; O=C3OC2CC(OC(O)(C1NC(=O)SC1)C2)CCC(C
    =CC=CCCC(=C3)C)C; CC1CCC2CC(CC(O2)(C3CSC
    (=O)N3)O)OC(=O)C=C(CCC=CC=C1)C; C[CH]1CC
    [CH]2C[CH](C[C](O)(O2)[CH]3CSC(=O)N3)OC(
    =O)C=C(C)CCC=CC=C1    		 LATRUNCULIN A;
    4-(17-HYDROXY-5,12-DIMETHYL-3-OXO-2,16-DIOXABICYCLO[13.3.1]NONADECA-4,8,10-TRIEN-17-YL)-2-THIAZOLIDINONE
    27061 LAS 2 C15 H24 N2 O7 S InChI=1S/C15H24N2O7S/c1-6
    (2)10(19)15(11(20)7(3)12(
    21)17-15)14(24)25-5-9(13(
    22)23)16-8(4)18/h6-7,9-11
    ,19-20H,5H2,1-4H3,(H,16,1
    8)(H,17,21)(H,22,23)/t7-,
    9?,10+,11+,15-/m1/s1;
    DAQAKHDKYAWHCG-MJZHQVMOSA-N    		 O=C1NC(C(=O)SCC(C(=O)O)NC(=O)C)(C(O)C1C)
    C(O)C(C)C; CC1C(C(NC1=O)(C(C(C)C)O)C(=O)
    SCC(C(=O)O)NC(=O)C)O; C[C@@H]1[C@@H]([C@
    ](NC1=O)([C@H](C(C)C)O)C(=O)SCC(C(=O)O)N
    C(=O)C)O; CC(C)[CH](O)[C]1(NC(=O)[CH](C)
    [CH]1O)C(=O)SCC(NC(C)=O)C(O)=O; CC(C)[C@
    H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)S
    CC(NC(C)=O)C(O)=O    		 N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine;
    LACTACYSTIN
    27062 LAT 0 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    3-5(15)6(16)9(19)12(22-3)
    23-10-4(2-14)21-11(20)8(1
    8)7(10)17/h3-20H,1-2H2/t3
    -,4-,5+,6+,7-,8-,9-,10-,1
    1-,12+/m1/s1;
    GUBGYTABKSRVRQ-DCSYEGIMSA-N    		 OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)
    [C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H
    ]1O; O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)
    C2O)CO; C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O
    )CO)O)O)O)O; C([C@@H]1[C@@H]([C@@H]([C@H
    ]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H](
    [C@H]2O)O)O)CO)O)O)O)O; OC[CH]1O[CH](O[C
    H]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)
    [CH](O)[CH]1O    		 BETA-LACTOSE
    27063 LAU 0 C12 H24 O2 InChI=1/C12H24O2/c1-2-3-4
    -5-6-7-8-9-10-11-12(13)14
    /h2-11H2,1H3,(H,13,14)/f/
    h13H;
    POULHZVOKOAJMA-NDKGDYFDCC    		 CCCCCCCCCCCC(=O)O; O=C(O)CCCCCCCCCCC; CC
    CCCCCCCCCC(O)=O    		 DODECANOIC ACID
    27064 LAV
    ZINC000098209103    		 0 C11 H24 N2 O2 InChI=1S/C11H24N2O2/c1-7(
    2)5-9(12)6-13-10(8(3)4)11
    (14)15/h7-10,13H,5-6,12H2
    ,1-4H3,(H,14,15)/t9-,10-/
    m0/s1;
    NPTLVLDJKIEXJU-UWVGGRQHSA-N    		 CC(C)C[C@@H](CN[C@@H](C(C)C)C(=O)O)N; CC
    (C)CC(CNC(C(C)C)C(=O)O)N; O=C(O)C(NCC(N)
    CC(C)C)C(C)C; CC(C)C[C@H](N)CN[C@@H](C(C
    )C)C(O)=O; CC(C)C[CH](N)CN[CH](C(C)C)C(O
    )=O    		 N-[(2S)-2-amino-4-methylpentyl]-L-valine
    27065 LAW 1 C25 H32 N12 O9 S InChI=1S/C25H32N12O9S/c26
    -3-5-47(42,43)34-6-11-16(
    38)19(41)25(45-11)37-13(3
    5-15-21(28)30-9-32-23(15)
    37)2-1-4-44-7-12-17(39)18
    (40)24(46-12)36-10-33-14-
    20(27)29-8-31-22(14)36/h8
    -12,16-19,24-25,34,38-41H
    ,3-7,26H2,(H2,27,29,31)(H
    2,28,30,32)/t11-,12-,16-,
    17-,18-,19-,24-,25-/m1/s1;
    BIOOSWGGEOOSLM-AKONZDDMSA-N    		 NCC[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O
    )n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH]
    (O)[CH]4O)n5cnc6c(N)ncnc56; c1nc(c2c(n1)
    n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#
    Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H]
    (O6)CNS(=O)(=O)CCN)O)O)N)O)O)N; c1nc(c2c
    (n1)n(cn2)C3C(C(C(O3)COCC#Cc4nc5c(ncnc5n
    4C6C(C(C(O6)CNS(=O)(=O)CCN)O)O)N)O)O)N;
    NCC[S](=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@
    @H]1O)n2c(nc3c(N)ncnc23)C#CCOC[C@H]4O[C@
    H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56    		 ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-azanyl-ethanesulfonamide
    27066 LAX
    CHEMBL465183
    DB00154
    ZINC000004521470    		 1 C20 H34 O2 InChI=1S/C20H34O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18-19-20(21)22
    /h6-7,9-10,12-13H,2-5,8,1
    1,14-19H2,1H3,(H,21,22)/b
    7-6-,10-9-,13-12-;
    HOBAELRKJCKHQD-QNEBEIHSSA-N    		 CCCCC\C=C/C/C=C\C\C=C/CCCCCCC(O)=O; CCCC
    CC=CCC=CCC=CCCCCCCC(O)=O; CCCCCC=CCC=CCC
    =CCCCCCCC(=O)O; CCCCC\C=C/C\C=C/C\C=C/CC
    CCCCC(=O)O; O=C(O)CCCCCC\C=C/C\C=C/C\C=C
    /CCCCC    		 EICOSA-8,11,14-TRIENOIC ACID;
    DIHOMO-GAMMA-LINOLENIC ACID
    27067 LAY
    CHEMBL56021
    DB16956
    ZINC000000135384    		 0 C8 H15 N O3 InChI=1S/C8H15NO3/c1-5(2)
    4-7(8(11)12)9-6(3)10/h5,7
    H,4H2,1-3H3,(H,9,10)(H,11
    ,12)/t7-/m0/s1;
    WXNXCEHXYPACJF-ZETCQYMHSA-N    		 O=C(NC(C(=O)O)CC(C)C)C; CC(C)C[C@H](NC(C
    )=O)C(O)=O; CC(C)C[C@@H](C(=O)O)NC(=O)C;
    CC(C)C[CH](NC(C)=O)C(O)=O; CC(C)CC(C(=O
    )O)NC(=O)C    		 N-acetyl-L-leucine
    27068 LAZ
    CHEMBL1233960
    DB08082
    ZINC000001665476    		 8 C9 H10 Cl N O2 InChI=1S/C9H10ClNO2/c10-8
    -3-1-7(2-4-8)9(13)11-5-6-
    12/h1-4,12H,5-6H2,(H,11,1
    3);
    GBARCMIFTACERW-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)NCCO)Cl; O=C(c1ccc(Cl)cc1)
    NCCO; OCCNC(=O)c1ccc(Cl)cc1    		 N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE;
    4-CHLORO-N-(2-HYDROXYETHYL)BENZAMIDE
    27069 LB0 1 C14 H18 N2 O InChI=1S/C14H18N2O/c1-9-4
    -5-15-8-13(9)16-14(17)12-
    6-11(7-12)10-2-3-10/h4-5,
    8,10-12H,2-3,6-7H2,1H3,(H
    ,16,17)/t11-,12-;
    SPZNGMCOZXKTMM-HAQNSBGRSA-N    		 Cc1ccncc1NC(=O)C2CC(C2)C3CC3; Cc1ccncc1N
    C(=O)[C@H]2C[C@@H](C2)C3CC3; Cc1ccncc1NC
    (=O)[CH]2C[CH](C2)C3CC3; O=C(Nc1cnccc1C)
    C1CC(C1)C1CC1    		 (1r,3r)-3-cyclopropyl-N-(4-methylpyridin-3-yl)cyclobutane-1-carboxamide
    27070 LB1 1 C13 H20 N2 O4 InChI=1S/C13H20N2O4/c1-14
    -4-6-15(7-5-14)12(16)10-8
    -2-3-9(19-8)11(10)13(17)1
    8/h8-11H,2-7H2,1H3,(H,17,
    18)/t8-,9+,10-,11+/m1/s1;
    JUQMLSGOTNKJKI-YTWAJWBKSA-N    		 CN1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3; CN1
    CCN(CC1)C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H
    ]2C(=O)O)O3; CN1CCN(CC1)C(=O)[CH]2[CH]3C
    C[CH](O3)[CH]2C(O)=O; C2(C(C(N1CCN(CC1)C
    )=O)C3CCC2O3)C(O)=O; CN1CCN(CC1)C(=O)[C@
    @H]2[C@H]3CC[C@H](O3)[C@@H]2C(O)=O    		 (1S,2R,3S,4R)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
    27071 LB2 0 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    3-5(15)7(17)8(18)12(22-3)
    23-10-6(16)4(2-14)21-11(2
    0)9(10)19/h3-20H,1-2H2/t3
    -,4-,5-,6-,7+,8-,9-,10+,1
    1-,12+/m1/s1;
    QIGJYVCQYDKYDW-CSOAUFAESA-N    		 OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)O[CH](C
    O)[CH]2O)[CH](O)[CH](O)[CH]1O; C(C1C(C(C
    (C(O1)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O; O(
    C1C(O)C(O)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO;
    C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O
    )O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)
    O)O)O)O; OC[C@H]1O[C@@H](O[C@@H]2[C@@H](
    O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@
    H](O)[C@@H]1O    		 3-O-beta-D-glucopyranosyl-beta-D-glucopyranose;
    Laminaribiose
    27072 LB3
    CHEMBL5178474    		 1 C18 H18 F2 N6 O3 InChI=1S/C18H18F2N6O3/c19
    -9-2-1-7(5-10(9)20)8-3-4-
    22-18-25-11-15(21)23-6-24
    -16(11)26(18)17-13(28)12(
    27)14(8)29-17/h1-2,5-6,8,
    12-14,17,27-28H,3-4H2,(H,
    22,25)(H2,21,23,24)/t8-,1
    2+,13-,14-,17-/m1/s1;
    JZKFSFVCJQMNFZ-TXXSDKCWSA-N    		 c1cc(c(cc1C2CCNc3nc4c(ncnc4n3C5C(C(C2O5)
    O)O)N)F)F; Fc1ccc(cc1F)C1CCNc2nc3c(N)ncn
    c3n2C2OC1C(O)C2O; c1cc(c(cc1[C@H]2CCNc3n
    c4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@@H]2O5
    )O)O)N)F)F; Nc1ncnc2n3[CH]4O[CH]([CH](O)
    [CH]4O)[CH](CCNc3nc12)c5ccc(F)c(F)c5; Nc
    1ncnc2n3[C@@H]4O[C@@H]([C@@H](O)[C@H]4O)
    [C@H](CCNc3nc12)c5ccc(F)c(F)c5    		 (9R,10R,11S,12R,13R,14R)-4-amino-9-(3,4-difluorophenyl)-6,7,8,9,10,11,12,13-octahydro-10,13-epoxy[1,3]diazecino[1,2-e]purine-11,12-diol
    27073 LB4
    CHEMBL4474729    		 2 C27 H26 F N7 O3 InChI=1S/C27H26FN7O3/c1-1
    6-11-23(32-15-20(16)28)35
    -24-12-22(19(14-31-24)26(
    36)29-2)34-21-9-6-8-18(25
    (21)38-3)27(37)33-13-17-7
    -4-5-10-30-17/h4-12,14-15
    H,13H2,1-3H3,(H,29,36)(H,
    33,37)(H2,31,32,34,35);
    OXIRLLVPYPWPEK-UHFFFAOYSA-N    		 CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc3cccc(
    C(=O)NCc4ccccn4)c3OC; Cc1cc(ncc1F)Nc2cc(
    c(cn2)C(=O)NC)Nc3cccc(c3OC)C(=O)NCc4cccc
    n4; c4c(Nc1ncc(C(NC)=O)c(c1)Nc2cccc(c2OC
    )C(NCc3ccccn3)=O)ncc(c4C)F    		 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide
    27074 LB5
    CHEMBL4574467    		 1 C26 H32 N6 O3 S InChI=1S/C26H32N6O3S/c1-1
    7-7-5-6-10-21(17)32-16-19
    (13-30-32)25(34)29-15-23-
    28-14-22(36-23)26(35)31-2
    0(24(27)33)12-11-18-8-3-2
    -4-9-18/h5-7,10,13-14,16,
    18,20H,2-4,8-9,11-12,15H2
    ,1H3,(H2,27,33)(H,29,34)(
    H,31,35)/t20-/m0/s1;
    MYJMLFRMWQAWML-FQEVSTJZSA-N    		 Cc1ccccc1n2cc(cn2)C(=O)NCc3ncc(s3)C(=O)N
    C(CCC4CCCCC4)C(=O)N; Cc1ccccc1n2cc(cn2)C
    (=O)NCc3sc(cn3)C(=O)N[CH](CCC4CCCCC4)C(N
    )=O; Cc1ccccc1n2cc(cn2)C(=O)NCc3ncc(s3)C
    (=O)N[C@@H](CCC4CCCCC4)C(=O)N; Cc1ccccc1
    n2cc(cn2)C(=O)NCc3sc(cn3)C(=O)N[C@@H](CC
    C4CCCCC4)C(N)=O    		 ~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide
    27075 LB6
    ZINC000020722384    		 10 C12 H11 Br N2 O3 InChI=1S/C12H11BrN2O3/c13
    -9-2-1-8-3-4-15(10(8)5-9)
    7-11(16)14-6-12(17)18/h1-
    5H,6-7H2,(H,14,16)(H,17,1
    8);
    CWLHYPMSORHOPU-UHFFFAOYSA-N    		 O=C(O)CNC(=O)Cn1ccc2ccc(Br)cc21; c1cc(cc
    2c1ccn2CC(=O)NCC(=O)O)Br; OC(=O)CNC(=O)C
    n1ccc2ccc(Br)cc12    		 N-[(6-bromo-1H-indol-1-yl)acetyl]glycine
    27076 LB7
    CHEMBL4596392    		 2 C20 H22 N8 O3 InChI=1S/C20H22N8O3/c1-21
    -20(30)16-14(9-15(25-26-1
    6)24-19(29)11-7-8-11)23-1
    3-6-4-5-12(17(13)31-3)18-
    22-10-28(2)27-18/h4-6,9-1
    1H,7-8H2,1-3H3,(H,21,30)(
    H2,23,24,25,29);
    BZZKEPGENYLQSC-UHFFFAOYSA-N    		 C(Nc1nnc(c(c1)Nc3c(c(c2nn(C)cn2)ccc3)OC)
    C(NC)=O)(C4CC4)=O; CNC(=O)c1c(cc(nn1)NC(
    =O)C2CC2)Nc3cccc(c3OC)c4ncn(n4)C; CNC(=O
    )c1nnc(NC(=O)C2CC2)cc1Nc3cccc(c4ncn(C)n4
    )c3OC    		 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
    27077 LB8
    CHEMBL4465031    		 1 C29 H32 F3 N5 O3 InChI=1S/C29H32F3N5O3/c1-
    18-12-14-20(27(39)35-23(2
    6(33)38)15-13-19-8-4-2-5-
    9-19)16-24(18)36-28(40)22
    -17-34-37(25(22)29(30,31)
    32)21-10-6-3-7-11-21/h3,6
    -7,10-12,14,16-17,19,23H,
    2,4-5,8-9,13,15H2,1H3,(H2
    ,33,38)(H,35,39)(H,36,40)
    /t23-/m0/s1;
    ARAZWGAZTSHNHP-QHCPKHFHSA-N    		 Cc1ccc(cc1NC(=O)c2cnn(c3ccccc3)c2C(F)(F)
    F)C(=O)N[CH](CCC4CCCCC4)C(N)=O; Cc1ccc(c
    c1NC(=O)c2cnn(c2C(F)(F)F)c3ccccc3)C(=O)N
    C(CCC4CCCCC4)C(=O)N; Cc1ccc(cc1NC(=O)c2c
    nn(c2C(F)(F)F)c3ccccc3)C(=O)N[C@@H](CCC4
    CCCCC4)C(=O)N; Cc1ccc(cc1NC(=O)c2cnn(c3c
    cccc3)c2C(F)(F)F)C(=O)N[C@@H](CCC4CCCCC4
    )C(N)=O    		 ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
    27078 LB9 0 C5 H16 N2 InChI=1S/C5H14N2/c6-4-2-1
    -3-5-7/h1-7H2/p+2;
    VHRGRCVQAFMJIZ-UHFFFAOYSA-P    		 [NH3+]CCCCC[NH3+]; C(CC[NH3+])CC[NH3+] 5-azaniumylpentylazanium;
    cadaverine (protonated)
    27079 LBA
    CHEMBL2042172
    ZINC000084728876    		 1 C31 H24 N4 O7 InChI=1S/C31H24N4O7/c36-2
    1(15-41-22-7-1-17(2-8-22)
    28-32-24-11-5-19(30(37)38
    )13-26(24)34-28)16-42-23-
    9-3-18(4-10-23)29-33-25-1
    2-6-20(31(39)40)14-27(25)
    35-29/h1-14,21,36H,15-16H
    2,(H,32,34)(H,33,35)(H,37
    ,38)(H,39,40);
    GBODXIMEGJFLQT-UHFFFAOYSA-N    		 O[C@H](COc1ccc(cc1)c2[nH]c3ccc(cc3n2)C(O
    )=O)COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(O)=O
    ; c1cc(ccc1c2[nH]c3ccc(cc3n2)C(=O)O)OCC(
    COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(=O)O)O;
    O[CH](COc1ccc(cc1)c2[nH]c3ccc(cc3n2)C(O)
    =O)COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(O)=O;
    c4(OCC(COc1ccc(cc1)c2nc3c(n2)cc(cc3)C(O
    )=O)O)ccc(cc4)c5nc6c(n5)ccc(c6)C(O)=O; c
    1cc(ccc1c2[nH]c3ccc(cc3n2)C(=O)O)OC[C@H]
    (COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(=O)O)O    		 2-(4-{3-[4-(6-carboxy-1H-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1H-benzimidazole-5-carboxylic acid
    27080 LBB
    CHEMBL4476320    		 1 C29 H35 N5 O3 InChI=1S/C29H35N5O3/c1-19
    -12-14-22(28(36)32-24(27(
    30)35)15-13-21-9-4-3-5-10
    -21)16-25(19)33-29(37)23-
    17-31-34(18-23)26-11-7-6-
    8-20(26)2/h6-8,11-12,14,1
    6-18,21,24H,3-5,9-10,13,1
    5H2,1-2H3,(H2,30,35)(H,32
    ,36)(H,33,37)/t24-/m0/s1;
    TUROENOKNBFMBG-DEOSSOPVSA-N    		 Cc1ccccc1n2cc(cn2)C(=O)Nc3cc(ccc3C)C(=O)
    N[C@@H](CCC4CCCCC4)C(=O)N; Cc1ccc(cc1NC(
    =O)c2cnn(c2)c3ccccc3C)C(=O)N[C@@H](CCC4C
    CCCC4)C(N)=O; Cc1ccc(cc1NC(=O)c2cnn(c2)c
    3ccccc3C)C(=O)N[CH](CCC4CCCCC4)C(N)=O; C
    c1ccccc1n2cc(cn2)C(=O)Nc3cc(ccc3C)C(=O)N
    C(CCC4CCCCC4)C(=O)N    		 ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
    27081 LBC 1 C14 H13 I N2 O InChI=1S/C14H13IN2O/c1-10
    -5-6-16-9-13(10)17-14(18)
    8-11-3-2-4-12(15)7-11/h2-
    7,9H,8H2,1H3,(H,17,18);
    MUVSGYUDBWMCJG-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cccc(I)c2; Cc1ccncc1NC
    (=O)Cc2cccc(c2)I; O=C(Nc1cnccc1C)Cc1cccc
    (I)c1    		 2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide
    27082 LBD
    CHEMBL5201542    		 1 C20 H27 N7 InChI=1S/C20H27N7/c1-13-1
    2-21-9-10-27(13)19-22-15-
    8-6-5-7-14(15)18(24-19)23
    -17-11-16(25-26-17)20(2,3
    )4/h5-8,11,13,21H,9-10,12
    H2,1-4H3,(H2,22,23,24,25,
    26)/t13-/m1/s1;
    NPABSCSMTWXIFP-CYBMUJFWSA-N    		 CC1CNCCN1c2nc3ccccc3c(n2)Nc4cc(n[nH]4)C(
    C)(C)C; CC1CNCCN1c2nc(c3c(n2)cccc3)Nc4nn
    c(C(C)(C)C)c4; C[C@@H]1CNCCN1c2nc3ccccc3
    c(n2)Nc4cc(n[nH]4)C(C)(C)C; C[C@@H]1CNCC
    N1c2nc(Nc3[nH]nc(c3)C(C)(C)C)c4ccccc4n2;
    C[CH]1CNCCN1c2nc(Nc3[nH]nc(c3)C(C)(C)C)
    c4ccccc4n2    		 N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
    27083 LBE
    CHEMBL4436748    		 1 C27 H33 N5 O2 InChI=1S/C27H33N5O2/c28-2
    5-24(19-31-32(25)23-11-5-
    2-6-12-23)27(34)30-18-21-
    13-15-22(16-14-21)26(33)2
    9-17-7-10-20-8-3-1-4-9-20
    /h2,5-6,11-16,19-20H,1,3-
    4,7-10,17-18,28H2,(H,29,3
    3)(H,30,34);
    HXNUFFCHRIWTRZ-UHFFFAOYSA-N    		 c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=
    O)NCCCC4CCCCC4)N; Nc1n(ncc1C(=O)NCc2ccc(
    cc2)C(=O)NCCCC3CCCCC3)c4ccccc4    		 5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
    27084 LBF
    CHEMBL486133
    ZINC000017654252    		 2 C33 H48 O6 InChI=1S/C33H48O6/c1-9-28
    (14-15-29-24(5)13-16-31(3
    6)39-29)19-22(3)12-10-11-
    21(2)17-25(6)32(37)27(8)3
    3(38)26(7)18-23(4)20-30(3
    4)35/h10-11,13-17,19-20,2
    2,24-27,29,33,38H,9,12,18
    H2,1-8H3,(H,34,35)/b11-10
    +,15-14+,21-17+,23-20+,28
    -19-/t22-,24+,25-,26+,27-
    ,29+,33-/m1/s1;
    YACHGFWEQXFSBS-XYERBDPFSA-N    		 CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O
    )[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)
    /C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C; O
    =C(O)\C=C(/C)CC(C)C(O)C(C(=O)C(/C=C(/C=C
    /CC(/C=C(\C=C\C1OC(=O)C=CC1C)CC)C)C)C)C;
    CCC(=CC(C)CC=CC(=CC(C)C(=O)C(C)C(C(C)CC
    (=CC(=O)O)C)O)C)C=CC1C(C=CC(=O)O1)C; CCC
    (C=C[CH]1OC(=O)C=C[CH]1C)=C[CH](C)CC=CC(
    C)=C[CH](C)C(=O)[CH](C)[CH](O)[CH](C)CC(
    C)=CC(O)=O; CCC(/C=C/[C@@H]1OC(=O)C=C[C@
    @H]1C)=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C
    (=O)[C@@H](C)[C@H](O)[C@@H](C)CC(/C)=C/C
    (O)=O    		 Leptomycin B
    27085 LBG 4 C20 H14 Cl F2 N O5 S InChI=1S/C20H14ClF2NO5S/c
    1-29-20(26)12-7-14(21)19(
    25)18(8-12)30(27,28)24-17
    -9-13(15(22)10-16(17)23)1
    1-5-3-2-4-6-11/h2-10,24-2
    5H,1H3;
    YSTSHUWHIDBZAK-UHFFFAOYSA-N    		 COC(=O)c1cc(Cl)c(O)c(c1)[S](=O)(=O)Nc2cc
    (c(F)cc2F)c3ccccc3; c1(Cl)c(O)c(cc(c1)C(
    OC)=O)S(Nc2cc(c(cc2F)F)c3ccccc3)(=O)=O;
    COC(=O)c1cc(c(c(c1)Cl)O)S(=O)(=O)Nc2cc(c
    (cc2F)F)c3ccccc3    		 methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate
    27086 LBH
    CHEMBL483254
    DB06603
    ZINC000022010649    		 2 C21 H23 N3 O2 InChI=1S/C21H23N3O2/c1-15
    -18(19-4-2-3-5-20(19)23-1
    5)12-13-22-14-17-8-6-16(7
    -9-17)10-11-21(25)24-26/h
    2-11,22-23,26H,12-14H2,1H
    3,(H,24,25)/b11-10+;
    FPOHNWQLNRZRFC-ZHACJKMWSA-N    		 Cc1[nH]c2ccccc2c1CCNCc3ccc(/C=C/C(=O)NO)
    cc3; Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C
    =C/C(=O)NO; Cc1[nH]c2ccccc2c1CCNCc3ccc(C
    =CC(=O)NO)cc3; Cc1c(c2ccccc2[nH]1)CCNCc3
    ccc(cc3)C=CC(=O)NO    		 Panobinostat
    27087 LBI
    ZINC000039168460    		 1 C10 H9 N O2 InChI=1S/C10H9NO2/c1-13-1
    0-4-2-3-9-8(10)5-7(6-12)1
    1-9/h2-6,11H,1H3;
    BMUMJEKBMVREKT-UHFFFAOYSA-N    		 COc1cccc2c1cc([nH]2)C=O; COc1cccc2[NH]c(
    cc21)C=O; COc1cccc2[nH]c(C=O)cc12    		 4-methoxy-1H-indole-2-carbaldehyde
    27088 LBJ
    CHEMBL266084
    ZINC000019202437    		 1 C12 H14 N2 O InChI=1S/C12H14N2O/c1-15-
    8-2-3-11-10(6-8)9-4-5-13-
    7-12(9)14-11/h2-3,6,13-14
    H,4-5,7H2,1H3;
    QYMDEOQLJUUNOF-UHFFFAOYSA-N    		 COc1ccc2[nH]c3CNCCc3c2c1; COc1ccc2c(c1)c
    3c([nH]2)CNCC3    		 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
    27089 LBK
    CHEMBL1714813
    ZINC000000116772    		 2 C18 H19 N3 O2 InChI=1S/C18H19N3O2/c1-12
    (13-7-5-4-6-8-13)21-18-14
    -9-16(22-2)17(23-3)10-15(
    14)19-11-20-18/h4-12H,1-3
    H3,(H,19,20,21)/t12-/m1/s
    1;
    RJFMUYZWDLSYSX-GFCCVEGCSA-N    		 C[C@H](c1ccccc1)Nc2c3cc(c(cc3ncn2)OC)OC;
    COc1cc2ncnc(N[CH](C)c3ccccc3)c2cc1OC; C
    C(c1ccccc1)Nc2c3cc(c(cc3ncn2)OC)OC; COc1
    cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC    		 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
    27090 LBL
    ZINC000100045818    		 4 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    4(16)7(18)11(5(17)2-14)23
    -12-10(21)9(20)8(19)6(3-1
    5)22-12/h1,4-12,14-21H,2-
    3H2/t4-,5+,6+,7+,8-,9-,10
    +,11+,12-/m0/s1;
    DKXNBNKWCZZMJT-JVCRWLNRSA-N    		 OC[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH]
    (O)[CH]1O)[CH](O)[CH](O)C=O; C(C1C(C(C(C
    (O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O; C([C@
    @H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]
    ([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)
    O; OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[
    C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)
    C=O    		 (2~{R},3~{R},4~{R},5~{R})-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5, 6-tetrakis(oxidanyl)hexanal;
    4-O-beta-D-Galactopyranosyl-D-glucose
    27091 LBM
    CHEMBL3137309
    DB11581
    ZINC000150338755    		 5 C45 H50 Cl N7 O7 S InChI=1S/C45H50ClN7O7S/c1
    -45(2)15-11-33(39(26-45)3
    1-3-5-34(46)6-4-31)29-51-
    17-19-52(20-18-51)35-7-9-
    38(42(24-35)60-36-23-32-1
    2-16-47-43(32)49-28-36)44
    (54)50-61(57,58)37-8-10-4
    0(41(25-37)53(55)56)48-27
    -30-13-21-59-22-14-30/h3-
    10,12,16,23-25,28,30,48H,
    11,13-15,17-22,26-27,29H2
    ,1-2H3,(H,47,49)(H,50,54);
    LQBVNQSMGBZMKD-UHFFFAOYSA-N    		 c1c(Cl)ccc(c1)C8=C(CN2CCN(CC2)c5cc(Oc4cc
    3c(ncc3)nc4)c(cc5)C(=O)NS(c7ccc(NCC6CCOC
    C6)c(c7)[N+]([O-])=O)(=O)=O)CCC(C)(C8)C;
    CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c
    4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(
    =O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C;
    CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3
    )c4ccc(C(=O)N[S](=O)(=O)c5ccc(NCC6CCOCC6
    )c(c5)[N+]([O-])=O)c(Oc7cnc8[nH]ccc8c7)c
    4    		 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide;
    Venetoclax, 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)pipe razin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide
    27092 LBN 373 C42 H82 N O8 P InChI=1S/C42H82NO8P/c1-6-
    8-10-12-14-16-18-20-21-23
    -25-27-29-31-33-35-42(45)
    51-40(39-50-52(46,47)49-3
    7-36-43(3,4)5)38-48-41(44
    )34-32-30-28-26-24-22-19-
    17-15-13-11-9-7-2/h20-21,
    40H,6-19,22-39H2,1-5H3/b2
    1-20-/t40-/m1/s1;
    WTJKGGKOPKCXLL-VYOBOKEXSA-N    		 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC
    [N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC; CC
    CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O
    CC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
    ; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-]
    )(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC
    CCCCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]
    ([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=
    CCCCCCCCC; C(C(COC(CCCCCCCCCCCCCCC)=O)OC
    (CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)
    (C)C)([O-])=O    		 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine;
    (2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
    27093 LBO 1 C17 H18 N2 O InChI=1S/C17H18N2O/c1-12-
    7-8-18-11-16(12)19-17(20)
    10-13-3-2-4-15(9-13)14-5-
    6-14/h2-4,7-9,11,14H,5-6,
    10H2,1H3,(H,19,20);
    PTTAFUMPUWHBTC-UHFFFAOYSA-N    		 O=C(Nc1cnccc1C)Cc1cccc(c1)C1CC1; Cc1ccnc
    c1NC(=O)Cc2cccc(c2)C3CC3    		 2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide
    27094 LBP
    ZINC000058650391    		 1 C8 H19 N2 O6 P S InChI=1S/C8H19N2O6PS/c1-2
    -3-5-18(16,10-17(13,14)15
    )6-4-7(9)8(11)12/h7H,2-6,
    9H2,1H3,(H,11,12)(H2,13,1
    4,15)/t7-,18-/m0/s1;
    ZUVPFRZYYQZWPS-VIIUKITBSA-N    		 CCCC[S@](=O)(CC[C@H](N)C(O)=O)=N[P](O)(O
    )=O; CCCC[S@](=NP(=O)(O)O)(=O)CC[C@@H](C
    (=O)O)N; CCCC[S](=O)(CC[CH](N)C(O)=O)=N[
    P](O)(O)=O; O=S(=NP(=O)(O)O)(CCC(N)C(=O)
    O)CCCC; CCCCS(=NP(=O)(O)O)(=O)CCC(C(=O)O
    )N    		 (2S)-2-amino-4-(S-butyl-N-phosphonosulfonimidoyl)butanoic acid
    27095 LBQ
    ZINC000019915549    		 2 C11 H12 N2 O3 S InChI=1S/C11H12N2O3S/c12-
    17(14,15)11-5-3-9(4-6-11)
    13-8-10-2-1-7-16-10/h1-7,
    13H,8H2,(H2,12,14,15);
    GTFXUNQMJHDIRE-UHFFFAOYSA-N    		 c1cc(oc1)CNc2ccc(cc2)S(=O)(=O)N; N[S](=O
    )(=O)c1ccc(NCc2occc2)cc1    		 4-(furan-2-ylmethylamino)benzenesulfonamide
    27096 LBR
    ZINC000263621119    		 1 C30 H57 Br O5 InChI=1S/C30H57BrO5/c1-2-
    3-4-5-6-7-8-12-15-18-21-2
    4-30(34)36-28(26-32)27-35
    -29(33)23-20-17-14-11-9-1
    0-13-16-19-22-25-31/h28,3
    2H,2-27H2,1H3/t28-/m0/s1;
    VHCCBJMTBOAHLF-NDEPHWFRSA-N    		 CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC
    CCCCCCCCBr; CCCCCCCCCCCCCC(=O)OC(CO)COC(
    =O)CCCCCCCCCCCCBr; BrCCCCCCCCCCCCC(=O)OC
    C(OC(CCCCCCCCCCCCC)=O)CO; CCCCCCCCCCCCCC
    (=O)O[CH](CO)COC(=O)CCCCCCCCCCCCBr    		 (2S)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate
    27097 LBS 0 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    5-7(16)10(19)12(4-15,23-5
    )21-2-6-8(17)9(18)11(20,3
    -14)22-6/h5-10,13-20H,1-4
    H2/t5-,6-,7-,8-,9+,10+,11
    -,12-/m1/s1;
    FEXBYMWJVRXRSN-TWOHWVPZSA-N    		 C(C1C(C(C(O1)(CO)OCC2C(C(C(O2)(CO)O)O)O)
    O)O)O; OC[CH]1O[C](CO)(OC[CH]2O[C](O)(CO
    )[CH](O)[CH]2O)[CH](O)[CH]1O; OC[C@H]1O[
    C@@](CO)(OC[C@H]2O[C@](O)(CO)[C@@H](O)[C
    @@H]2O)[C@@H](O)[C@@H]1O; O2C(COC1(OC(C(
    O)C1O)CO)CO)C(O)C(O)C2(O)CO; C([C@@H]1[C
    @H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C
    @@H]([C@](O2)(CO)O)O)O)O)O)O    		 6-O-beta-D-fructofuranosyl-beta-D-fructofuranose
    27098 LBT 0 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    3-5(15)6(16)9(19)12(22-3)
    23-10-4(2-14)21-11(20)8(1
    8)7(10)17/h3-20H,1-2H2/t3
    -,4-,5+,6+,7-,8-,9-,10-,1
    1+,12+/m1/s1;
    GUBGYTABKSRVRQ-XLOQQCSPSA-N    		 O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)C
    O; C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O
    1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O
    )O)CO)O)O)O)O; C(C1C(C(C(C(O1)OC2C(OC(C(
    C2O)O)O)CO)O)O)O)O; OC[C@H]1O[C@@H](O[C@
    H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)
    [C@H](O)[C@@H](O)[C@H]1O; OC[CH]1O[CH](O
    [CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](
    O)[CH](O)[CH]1O    		 ALPHA-LACTOSE
    27099 LBU
    ZINC000001484020    		 1 C19 H16 O7 InChI=1S/C19H16O7/c1-25-1
    8(24)19(10-11-2-6-13(20)7
    -3-11)15(16(22)17(23)26-1
    9)12-4-8-14(21)9-5-12/h2-
    9,20-22H,10H2,1H3/t19-/m0
    /s1;
    AEKPZNDJHWFONI-IBGZPJMESA-N    		 COC(=O)[C@@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O
    )Cc3ccc(cc3)O; COC(=O)[C]1(Cc2ccc(O)cc2)
    OC(=O)C(=C1c3ccc(O)cc3)O; COC(=O)C1(C(=C
    (C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O; COC
    (=O)[C@@]1(Cc2ccc(O)cc2)OC(=O)C(=C1c3ccc
    (O)cc3)O; c1cc(O)ccc1CC2(C(=O)OC)OC(C(=C
    2c3ccc(cc3)O)O)=O    		 methyl (2S)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate
    27100 LBV 99 C33 H37 N4 O6 InChI=1S/C33H36N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h7-8,13-15,19,35H,2,9-
    12H2,1,3-6H3,(H,36,43)(H,
    37,42)(H,38,39)(H,40,41)/
    p+1/b20-7+,26-13-,27-14-,
    28-15-/t19-/m0/s1;
    DKMLMZVDTGOEGU-ISEYCTJISA-O    		 CC=C1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(
    C(=[NH+]3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=
    O)O)CCC(=O)O)C)C; C/C=C/1\C(C(=O)N\C1=C/
    c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C
    \4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)
    O)C)C; CC=C1[CH](C)C(=O)NC1=Cc2[nH]c(C=C
    3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O
    )=O)C)c(CCC(O)=O)c2C; C/C=C/1[C@H](C)C(=
    O)NC/1=C/c2[nH]c(/C=C/3[NH+]=C(/C=C/4NC(
    =O)C(=C/4C)C=C)C(=C/3CCC(O)=O)C)c(CCC(O)
    =O)c2C    		 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid;
    2(R),3(E)- PHYTOCHROMOBILIN
    27101 LBW 4 C33 H37 N4 O6 InChI=1S/C33H36N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h7-8,13-15,19,35H,2,9-
    12H2,1,3-6H3,(H,36,43)(H,
    37,42)(H,38,39)(H,40,41)/
    p+1/b20-7+,26-13-,27-14-,
    28-15-/t19-/m1/s1;
    DKMLMZVDTGOEGU-UAWLBFNISA-O    		 CC=C1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(
    C(=[NH+]3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=
    O)O)CCC(=O)O)C)C; C/C=C/1\[C@H](C(=O)N\C
    1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)
    /C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC
    (=O)O)C)C; CC=C1[CH](C)C(=O)NC1=Cc2[nH]c
    (C=C3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3C
    CC(O)=O)C)c(CCC(O)=O)c2C; C/C=C/1[C@@H](
    C)C(=O)NC/1=C/c2[nH]c(/C=C/3[NH+]=C(/C=C
    /4NC(=O)C(=C/4C)C=C)C(=C/3CCC(O)=O)C)c(C
    CC(O)=O)c2C    		 3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
    27102 LBX 3 C8 H11 N O5 InChI=1S/C8H11NO5/c10-4-1
    -3-9-7(8(13)14)6(12)2-5-1
    1/h3-4,7,11H,1-2,5H2,(H,1
    3,14)/b9-3+/t7-/m0/s1;
    PXXGDOCPYMGSFI-FHYFFISESA-N    		 OCCC(=O)[CH](N=CCC=O)C(O)=O; OCCC(=O)[C@
    H](N=CCC=O)C(O)=O; O=C(CCO)C(\N=C\CC=O)C
    (=O)O; C(CO)C(=O)C(C(=O)O)N=CCC=O; C(CO)
    C(=O)[C@@H](C(=O)O)/N=C/CC=O    		 (E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline
    27103 LBY
    ZINC000002384792    		 2 C11 H22 N2 O4 InChI=1S/C11H22N2O4/c1-11
    (2,3)17-10(16)13-7-5-4-6-
    8(12)9(14)15/h8H,4-7,12H2
    ,1-3H3,(H,13,16)(H,14,15)
    /t8-/m0/s1;
    VVQIIIAZJXTLRE-QMMMGPOBSA-N    		 CC(C)(C)OC(=O)NCCCCC(C(=O)O)N; CC(C)(C)O
    C(=O)NCCCC[C@@H](C(=O)O)N; CC(C)(C)OC(=O
    )NCCCC[CH](N)C(O)=O; O=C(OC(C)(C)C)NCCCC
    C(C(=O)O)N; CC(C)(C)OC(=O)NCCCC[C@H](N)C
    (O)=O    		 N~6~-(tert-butoxycarbonyl)-L-lysine
    27104 LBZ
    ZINC000001653057    		 0 C13 H18 N2 O3 InChI=1S/C13H18N2O3/c14-1
    1(13(17)18)8-4-5-9-15-12(
    16)10-6-2-1-3-7-10/h1-3,6
    -7,11H,4-5,8-9,14H2,(H,15
    ,16)(H,17,18)/t11-/m0/s1;
    KODLJWKGAKBGOB-NSHDSACASA-N    		 c1ccc(cc1)C(=O)NCCCC[C@@H](C(=O)O)N; c1c
    cc(cc1)C(=O)NCCCCC(C(=O)O)N; N[CH](CCCCN
    C(=O)c1ccccc1)C(O)=O; N[C@@H](CCCCNC(=O)
    c1ccccc1)C(O)=O    		 (2~{S})-2-azanyl-6-benzamido-hexanoic acid
    27105 LC 0 C9 H14 N3 O8 P InChI=1/C9H14N3O8P/c10-5-
    1-2-12(9(15)11-5)8-7(14)6
    (13)4(20-8)3-19-21(16,17)
    18/h1-2,4,6-8,13-14H,3H2,
    (H2,10,11,15)(H2,16,17,18
    )/t4-,6-,7-,8-/m0/s1/f/h1
    6-17H,10H2;
    IERHLVCPSMICTF-BORRGLOHDM    		 NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=
    O)[CH](O)[CH]2O; C1=CN(C(=O)N=C1N)C2C(C(
    C(O2)COP(=O)(O)O)O)O; NC1=NC(=O)N(C=C1)[
    C@H]2O[C@@H](CO[P](O)(O)=O)[C@H](O)[C@@H
    ]2O; C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]
    ([C@@H](O2)COP(=O)(O)O)O)O; O=C1N=C(N)C=
    CN1C2OC(C(O)C2O)COP(=O)(O)O    		 L-CYTIDINE-5'-MONOPHOSPHATE
    27106 LC0
    CHEMBL1087662
    ZINC000049112169    		 1 C23 H24 N6 O4 InChI=1S/C23H24N6O4/c1-29
    -12-16(9-27-29)19-10-26-2
    2(24)23(28-19)33-14-17-8-
    20(31-3)21(11-25-17)32-13
    -15-4-6-18(30-2)7-5-15/h4
    -12H,13-14H2,1-3H3,(H2,24
    ,26);
    FYNJLBSSIPLISK-UHFFFAOYSA-N    		 COc1ccc(COc2cnc(COc3nc(cnc3N)c4cnn(C)c4)
    cc2OC)cc1; Cn1cc(cn1)c2cnc(c(n2)OCc3cc(c
    (cn3)OCc4ccc(cc4)OC)OC)N    		 3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine
    27107 LC1
    CHEMBL455271
    DB08083
    ZINC000039716428    		 1 C10 H8 N4 O2 S2 InChI=1S/C10H8N4O2S2/c11-
    18(15,16)6-1-2-7-8(3-6)14
    -10(13-7)9-4-17-5-12-9/h1
    -5H,(H,13,14)(H2,11,15,16
    );
    KGMVTZZDGKDTEU-UHFFFAOYSA-N    		 O=S(=O)(N)c3ccc2c(nc(c1ncsc1)n2)c3; c1cc
    2c(cc1S(=O)(=O)N)nc([nH]2)c3cscn3; N[S](
    =O)(=O)c1ccc2[nH]c(nc2c1)c3cscn3    		 2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide
    27108 LC2
    CHEMBL1233965
    ZINC000100302768    		 0 C25 H33 N O7 InChI=1S/C25H33NO7/c1-14-
    6-9-18(28)10-8-15(2)12-21
    (26-23(31)17(4)27)25(5)22
    (30)16(3)20(33-24(25)32)1
    3-19(29)11-7-14/h6-8,10-1
    2,16,18-21,28-29H,9,13H2,
    1-5H3,(H,26,31)/b10-8+,11
    -7+,14-6+,15-12+/t16-,18+
    ,19-,20-,21-,25+/m1/s1;
    ATDILMLBOZKFGI-JUTMVFGESA-N    		 CC1C2CC(C=CC(=CCC(C=CC(=CC(C(C1=O)(C(=O)
    O2)C)NC(=O)C(=O)C)C)O)C)O; C[C@@H]1[C@H]
    2C[C@H](O)/C=C/C(=C/C[C@H](O)/C=C/C(=C/[
    C@@H](NC(=O)C(C)=O)[C@](C)(C(=O)O2)C1=O)
    C)C; C[C@@H]1[C@H]2C[C@@H](/C=C/C(=C/C[C
    @@H](/C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2
    )C)NC(=O)C(=O)C)/C)O)/C)O; C[CH]1[CH]2C[
    CH](O)C=CC(=CC[CH](O)C=CC(=C[CH](NC(=O)C
    (C)=O)[C](C)(C(=O)O2)C1=O)C)C; O=C(C(=O)
    NC2C=C(C=CC(O)CC=C(C=CC(O)CC1OC(=O)C2(C(
    =O)C1C)C)C)C)C    		 N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide;
    Lankacidin C
    27109 LC3
    CHEMBL3126113
    ZINC000095609525    		 6 C28 H22 N2 O5 InChI=1S/C28H22N2O5/c31-2
    7(32)20-15-13-19(14-16-20
    )23-10-4-11-24-22(26(28(3
    3)34)29-30(23)24)9-5-17-3
    5-25-12-3-7-18-6-1-2-8-21
    (18)25/h1-4,6-8,10-16H,5,
    9,17H2,(H,31,32)(H,33,34);
    ONFKCHIVKBXORY-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O
    )c5ccc(cc5)C(=O)O; OC(=O)c1ccc(cc1)c2ccc
    c3n2nc(C(O)=O)c3CCCOc4cccc5ccccc45; O=C(
    O)c5ccc(c1cccc2c(c(nn12)C(=O)O)CCCOc4c3c
    cccc3ccc4)cc5    		 7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
    27110 LC4
    ZINC000039296097    		 2 C15 H26 N2 O2 InChI=1S/C15H26N2O2/c18-1
    5(19)10-8-6-4-2-1-3-5-7-9
    -12-17-13-11-16-14-17/h11
    ,13-14H,1-10,12H2,(H,18,1
    9);
    XMSOPSLXOAQSRQ-UHFFFAOYSA-N    		 OC(=O)CCCCCCCCCCCn1ccnc1; c1cn(cn1)CCCCC
    CCCCCCC(=O)O    		 12-(1H-imidazol-1-yl)dodecanoic acid
    27111 LC5
    ZINC000584905590    		 2 C18 H24 N O5 P InChI=1S/C18H24NO5P/c1-19
    (21)18(20)12-14(13-25(22,
    23)24)6-4-8-16-10-5-9-15-
    7-2-3-11-17(15)16/h2-3,5,
    7,9-11,14,21H,4,6,8,12-13
    H2,1H3,(H2,22,23,24)/t14-
    /m1/s1;
    HUBGFLNAUJJVOG-CQSZACIVSA-N    		 O=C(CC(CP(O)(O)=O)CCCc2c1ccccc1ccc2)N(O)
    C; CN(C(=O)C[C@@H](CCCc1cccc2c1cccc2)CP(
    =O)(O)O)O; CN(O)C(=O)C[C@@H](CCCc1cccc2c
    cccc12)C[P](O)(O)=O; CN(O)C(=O)C[CH](CCC
    c1cccc2ccccc12)C[P](O)(O)=O; CN(C(=O)CC(
    CCCc1cccc2c1cccc2)CP(=O)(O)O)O    		 [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid
    27112 LC6
    CHEMBL3126119
    ZINC000150344387    		 10 C47 H46 N6 O8 S2 InChI=1S/C47H46N6O8S2/c1-
    31-28-33(46(54)50-63(59,6
    0)36-22-24-40(43(29-36)53
    (57)58)48-34(25-26-51(2)3
    )30-62-35-14-5-4-6-15-35)
    21-23-37(31)41-18-10-19-4
    2-39(45(47(55)56)49-52(41
    )42)17-11-27-61-44-20-9-1
    3-32-12-7-8-16-38(32)44/h
    4-10,12-16,18-24,28-29,34
    ,48H,11,17,25-27,30H2,1-3
    H3,(H,50,54)(H,55,56)/t34
    -/m1/s1;
    BNBDPYUSBJEPGX-UUWRZZSWSA-N    		 Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4ccc
    c5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+]
    (=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7; [O-]
    [N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S
    (=O)(=O)NC(=O)c7ccc(c3cccc4c(c(nn34)C(=O
    )O)CCCOc6c5ccccc5ccc6)c(c7)C; Cc1cc(ccc1
    c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)
    C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N
    C(CCN(C)C)CSc7ccccc7; CN(C)CC[CH](CSc1cc
    ccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)N
    C(=O)c3ccc(c(C)c3)c4cccc5n4nc(C(O)=O)c5C
    CCOc6cccc7ccccc67; CN(C)CC[C@H](CSc1cccc
    c1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)NC(
    =O)c3ccc(c(C)c3)c4cccc5n4nc(C(O)=O)c5CCC
    Oc6cccc7ccccc67    		 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
    27113 LC7
    ZINC000584905589    		 2 C14 H21 F N O5 P InChI=1S/C14H21FNO5P/c1-1
    6(18)14(17)9-12(10-22(19,
    20)21)6-2-4-11-5-3-7-13(1
    5)8-11/h3,5,7-8,12,18H,2,
    4,6,9-10H2,1H3,(H2,19,20,
    21)/t12-/m1/s1;
    HGIGLZBKPPPKTL-GFCCVEGCSA-N    		 CN(O)C(=O)C[C@@H](CCCc1cccc(F)c1)C[P](O)
    (O)=O; CN(C(=O)C[C@@H](CCCc1cccc(c1)F)CP
    (=O)(O)O)O; CN(C(=O)CC(CCCc1cccc(c1)F)CP
    (=O)(O)O)O; CN(O)C(=O)C[CH](CCCc1cccc(F)
    c1)C[P](O)(O)=O; O=C(CC(CP(O)(O)=O)CCCc1
    cc(ccc1)F)N(O)C    		 [(2R)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid
    27114 LC8
    ZINC000004116630    		 1 C11 H11 N3 O5 S InChI=1S/C11H11N3O5S/c12-
    20(17,18)9-3-4-10(11(6-9)
    14(15)16)13-7-8-2-1-5-19-
    8/h1-6,13H,7H2,(H2,12,17,
    18);
    NJOZGYRHKPIPKC-UHFFFAOYSA-N    		 c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])S(=O)(=
    O)N; N[S](=O)(=O)c1ccc(NCc2occc2)c(c1)[N
    +]([O-])=O    		 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide
    27115 LC9
    CHEMBL6509
    ZINC000000152322    		 0 C9 H10 N2 InChI=1S/C9H10N2/c10-5-7-
    6-11-9-4-2-1-3-8(7)9/h1-4
    ,6,11H,5,10H2;
    JXYGLMATGAAIBU-UHFFFAOYSA-N    		 NCc1c[nH]c2ccccc12; c1ccc2c(c1)c(c[nH]2)
    CN    		 1H-indol-3-ylmethanamine
    27116 LCA
    ZINC000034940869    		 0 C11 H14 N5 O7 P InChI=1S/C11H14N5O7P/c12-
    8-5-9(14-3-13-8)16(4-15-5
    )10-6-7(17)11(23-10,1-21-
    6)2-22-24(18,19)20/h3-4,6
    -7,10,17H,1-2H2,(H2,12,13
    ,14)(H2,18,19,20)/t6-,7+,
    10-,11-/m1/s1;
    OBTOXYBRQOXRBH-LRMGWDNHSA-N    		 c1nc(c2c(n1)n(cn2)C3C4C(C(O3)(CO4)COP(=O
    )(O)O)O)N; O=P(O)(O)OCC43OC(n1cnc2c(ncnc
    12)N)C(OC3)C4O; Nc1ncnc2n(cnc12)[CH]3O[C
    ]4(CO[CH]3[CH]4O)CO[P](O)(O)=O; c1nc(c2c
    (n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@@](O3)(C
    O4)COP(=O)(O)O)O)N; Nc1ncnc2n(cnc12)[C@@
    H]3O[C@]4(CO[C@@H]3[C@@H]4O)CO[P](O)(O)=
    O    		 [(1R,3R,4R,7S)-7-HYDROXY-3-(ADENIN-9-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE
    27117 LCB
    CHEMBL4090226    		 1 C13 H14 N6 O2 S InChI=1S/C13H14N6O2S/c1-2
    -10-11-12(16-7-15-11)19-1
    3(18-10)17-8-3-5-9(6-4-8)
    22(14,20)21/h3-7H,2H2,1H3
    ,(H2,14,20,21)(H2,15,16,1
    7,18,19);
    UZLCQAXOQKFVGP-UHFFFAOYSA-N    		 CCc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=
    O)N; CCc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nc3n
    c[nH]c13    		 4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
    27118 LCC
    ZINC000034940871    		 0 C11 H16 N3 O8 P InChI=1S/C11H16N3O8P/c1-5
    -2-14(10(16)13-8(5)12)9-6
    -7(15)11(22-9,3-20-6)4-21
    -23(17,18)19/h2,6-7,9,15H
    ,3-4H2,1H3,(H2,12,13,16)(
    H2,17,18,19)/t6-,7+,9-,11
    -/m1/s1;
    RSSHBVFUGGVGMZ-YRCORFKGSA-N    		 O=C1N=C(N)C(=CN1C3OC2(C(O)C3OC2)COP(=O)(
    O)O)C; CC1=CN([C@@H]2O[C@]3(CO[C@@H]2[C@
    @H]3O)CO[P](O)(O)=O)C(=O)N=C1N; CC1=CN(C
    (=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(C
    O3)COP(=O)(O)O)O; CC1=CN(C(=O)N=C1N)C2C3
    C(C(O2)(CO3)COP(=O)(O)O)O; CC1=CN([CH]2O
    [C]3(CO[CH]2[CH]3O)CO[P](O)(O)=O)C(=O)N=
    C1N    		 [(1R,3R,4R,7S)-7-HYDROXY-3-(5-METHYLCYTOSIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE
    27119 LCD
    CHEMBL3416205
    ZINC000012890027    		 1 C19 H16 O7 InChI=1S/C19H16O7/c1-23-1
    4-6-3-11(7-16(14)24-2)8-1
    7-19(22)13-5-4-12(9-15(13
    )26-17)25-10-18(20)21/h3-
    9H,10H2,1-2H3,(H,20,21)/b
    17-8-;
    OYUZJJUVKBNAII-IUXPMGMMSA-N    		 COc1ccc(cc1OC)/C=C\2/C(=O)c3ccc(cc3O2)OC
    C(=O)O; COc1ccc(cc1OC)/C=C/2Oc3cc(OCC(O)
    =O)ccc3C/2=O; O=C(O)COc3ccc1c(O/C(C1=O)=
    C\c2ccc(OC)c(OC)c2)c3; COc1ccc(cc1OC)C=C
    2C(=O)c3ccc(cc3O2)OCC(=O)O; COc1ccc(cc1O
    C)C=C2Oc3cc(OCC(O)=O)ccc3C2=O    		 {[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid
    27120 LCE
    ZINC000058639102    		 2 C8 H8 Cl2 O4 S InChI=1S/C8H8Cl2O4S/c1-14
    -7-3(6(12)13)2-4(11)8(9,1
    0)5(2)15-7/h2-3,5,7H,1H3,
    (H,12,13)/t2-,3-,5-,7-/m0
    /s1;
    PELFTKQNZKVHIO-NXTKUWPGSA-N    		 COC1C(C2C(S1)C(C2=O)(Cl)Cl)C(=O)O; O=C(O
    )C1C2C(=O)C(Cl)(Cl)C2SC1OC; CO[CH]1S[CH]
    2[CH]([CH]1C(O)=O)C(=O)C2(Cl)Cl; CO[C@@H
    ]1[C@@H]([C@@H]2[C@H](S1)C(C2=O)(Cl)Cl)C
    (=O)O; CO[C@H]1S[C@H]2[C@@H]([C@H]1C(O)=
    O)C(=O)C2(Cl)Cl    		 (1S,3S,4S,5S)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid;
    (1S,3S,4S,5S)-7,7-dichloro-3-methoxy-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid
    27121 LCF
    CHEMBL300982
    DB04725
    ZINC000003805769    		 2 C23 H22 Cl N O2 InChI=1S/C23H22ClNO2/c1-2
    3(2)13-19-22(15-6-4-3-5-7
    -15)21(16-8-10-17(24)11-9
    -16)18(12-20(26)27)25(19)
    14-23/h3-11H,12-14H2,1-2H
    3,(H,26,27);
    UAWXGRJVZSAUSZ-UHFFFAOYSA-N    		 CC1(C)Cn2c(CC(O)=O)c(c3ccc(Cl)cc3)c(c4cc
    ccc4)c2C1; CC1(Cc2c(c(c(n2C1)CC(=O)O)c3c
    cc(cc3)Cl)c4ccccc4)C; Clc4ccc(c1c(n3c(c1
    c2ccccc2)CC(C)(C3)C)CC(=O)O)cc4    		 [6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YL]ACETIC ACID;
    LICOFELONE
    27122 LCG
    ZINC000034940873    		 0 C11 H14 N5 O8 P InChI=1S/C11H14N5O8P/c12-
    10-14-7-4(8(18)15-10)13-3
    -16(7)9-5-6(17)11(24-9,1-
    22-5)2-23-25(19,20)21/h3,
    5-6,9,17H,1-2H2,(H2,19,20
    ,21)(H3,12,14,15,18)/t5-,
    6+,9-,11-/m1/s1;
    FZGXOAHULCKQGE-HLJYALQUSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[C]4(CO[CH]3[
    CH]4O)CO[P](O)(O)=O; NC1=Nc2n(cnc2C(=O)N
    1)[C@@H]3O[C@]4(CO[C@@H]3[C@@H]4O)CO[P](
    O)(O)=O; c1nc2c(n1C3C4C(C(O3)(CO4)COP(=O
    )(O)O)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3[C@H
    ]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N=C
    (NC2=O)N; O=C2NC(=Nc1n(cnc12)C4OC3(C(O)C
    4OC3)COP(=O)(O)O)N    		 [(1R,3R,4R,7S)-7-HYDROXY-3-(GUANIN-9-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE
    27123 LCH 0 C11 H16 N3 O8 P InChI=1/C11H16N3O8P/c1-5-
    2-14(10(16)13-8(5)12)9-6-
    7(15)11(22-9,3-20-6)4-21-
    23(17,18)19/h2,6-7,9,15H,
    3-4H2,1H3,(H2,12,13,16)(H
    2,17,18,19)/t6-,7+,9-,11-
    /m1/s1/f/h17-18H,12H2;
    RSSHBVFUGGVGMZ-MGOZBQMSDB    		 O=C1N=C(N)C(=CN1C3OC2(C(O)C3OC2)COP(=O)(
    O)O)C; CC1=CN([C@@H]2O[C@]3(CO[C@@H]2[C@
    @H]3O)CO[P](O)(O)=O)C(=O)N=C1N; CC1=CN(C
    (=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(C
    O3)COP(=O)(O)O)O; CC1=CN(C(=O)N=C1N)C2C3
    C(C(O2)(CO3)COP(=O)(O)O)O; CC1=CN([CH]2O
    [C]3(CO[CH]2[CH]3O)CO[P](O)(O)=O)C(=O)N=
    C1N    		 [(1R,3R,4R,7S)-7-HYDROXY-3-(5-METHYLCYTOSIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE
    27124 LCI 5 C18 H26 F N6 InChI=1S/C18H25FN6/c1-25-
    16(8-11-2-3-11)14(9-22-25
    )17-15(19)10-21-18(24-17)
    23-13-6-4-12(20)5-7-13/h9
    -13H,2-8,20H2,1H3,(H,21,2
    3,24)/p+1/t12-,13-;
    YSPIHUWHLMNFOV-JOCQHMNTSA-O    		 Cn1ncc(c1CC2CC2)c3nc(N[C@H]4CC[C@H]([NH3
    +])CC4)ncc3F; Cn1ncc(c1CC2CC2)c3nc(N[CH]
    4CC[CH]([NH3+])CC4)ncc3F; Cn1c(c(cn1)c2c
    (cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4    		 [4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium
    27125 LCJ
    CHEMBL3330650
    DB11982
    ZINC000043206499    		 7 C16 H14 F I N4 O3 InChI=1S/C16H14FIN4O3/c17
    -13-7-10(18)1-4-14(13)20-
    15-12(16(24)21-25-6-5-23)
    3-2-11-8-19-9-22(11)15/h1
    -4,7-9,20,23H,5-6H2,(H,21
    ,24);
    RFWVETIZUQEJEF-UHFFFAOYSA-N    		 c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO
    ; c1(c(C(=O)NOCCO)ccc2n1cnc2)Nc3c(F)cc(c
    c3)I; OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc
    3F    		 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
    27126 LCK
    ZINC000058639106    		 0 C10 H18 N2 O4 InChI=1S/C10H18N2O4/c1-7(
    6-9(13)14)12-5-3-2-4-8(11
    )10(15)16/h8H,2-6,11H2,1H
    3,(H,13,14)(H,15,16)/b12-
    7-/t8-/m0/s1;
    PCARXDDZXPRYII-VQLBTBKJSA-N    		 C/C(=N/CCCC[C@@H](C(=O)O)N)/CC(=O)O; CC(
    CC(O)=O)=NCCCC[C@H](N)C(O)=O; O=C(O)CC(=
    N/CCCCC(N)C(=O)O)\C; CC(=NCCCCC(C(=O)O)N
    )CC(=O)O; CC(CC(O)=O)=NCCCC[CH](N)C(O)=O    		 (Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine
    27127 LCL
    CHEMBL1437336
    ZINC000000113386    		 3 C11 H12 Cl2 N2 O5 InChI=1S/C11H12Cl2N2O5/c1
    2-10(13)11(18)14-8(5-16)9
    (17)6-1-3-7(4-2-6)15(19)2
    0/h1-4,8-10,16-17H,5H2,(H
    ,14,18)/t8-,9-/m0/s1;
    WIIZWVCIJKGZOK-IUCAKERBSA-N    		 c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)
    [O-]; c1cc(ccc1[C@@H]([C@H](CO)NC(=O)C(C
    l)Cl)O)[N+](=O)[O-]; OC[CH](NC(=O)C(Cl)C
    l)[CH](O)c1ccc(cc1)[N+]([O-])=O; OC[C@H]
    (NC(=O)C(Cl)Cl)[C@@H](O)c1ccc(cc1)[N+]([
    O-])=O; O=[N+]([O-])c1ccc(cc1)C(O)C(NC(=
    O)C(Cl)Cl)CO    		 2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;
    L-Chloramphenicol
    27128 LCM
    CHEMBL3409788
    ZINC000038543559    		 1 C18 H20 N2 O6 InChI=1S/C18H20N2O6/c21-1
    3-7-3-5-11(15(13)23)17(25
    )19-9-1-2-10-20-18(26)12-
    6-4-8-14(22)16(12)24/h3-8
    ,21-24H,1-2,9-10H2,(H,19,
    25)(H,20,26);
    FBRVRHJYPWFVCL-UHFFFAOYSA-N    		 c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c
    2O)O; O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc
    (O)c2O; Oc1cccc(C(=O)NCCCCNC(=O)c2cccc(O
    )c2O)c1O    		 N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide);
    4-LICAM
    27129 LCN 9 C6 H10 O5 InChI=1S/C6H10O5/c7-1-4-6
    (10)5(9)3(8)2-11-4/h2,4-1
    0H,1H2/t4-,5-,6-/m1/s1;
    CXKKSSKKIOZUNR-HSUXUTPPSA-N    		 C1=C(C(C(C(O1)CO)O)O)O; C1=C([C@H]([C@@H
    ]([C@H](O1)CO)O)O)O; OC[CH]1OC=C(O)[CH](
    O)[CH]1O; OC[C@H]1OC=C(O)[C@@H](O)[C@@H]
    1O    		 1,5-anhydro-D-arabino-hex-1-enitol
    27130 LCO 2 Cl O3 InChI=1S/ClHO3/c2-1(3)4/h
    (H,2,3,4)/p-1;
    XTEGARKTQYYJKE-UHFFFAOYSA-M    		 [O-][Cl](=O)=O; [O-]Cl(=O)=O CHLORATE ION
    27131 LCP
    DB03138    		 0 Cl O4 InChI=1S/ClHO4/c2-1(3,4)5
    /h(H,2,3,4,5)/p-1;
    VLTRZXGMWDSKGL-UHFFFAOYSA-M    		 [O-]Cl(=O)(=O)=O; [O-][Cl](=O)(=O)=O PERCHLORATE ION
    27132 LCQ
    CHEMBL4755796    		 1 C12 H8 N6 InChI=1S/C12H8N6/c13-6-9-
    10-11(15-7-14-10)18-12(17
    -9)16-8-4-2-1-3-5-8/h1-5,
    7H,(H2,14,15,16,17,18);
    CVPBLNRTHSCHMF-UHFFFAOYSA-N    		 N#Cc1nc(Nc2ccccc2)nc3[nH]cnc13; c1ccc(cc
    1)Nc2nc(c3c(n2)[nH]cn3)C#N    		 2-phenylazanyl-9~{H}-purine-6-carbonitrile
    27133 LCR
    CHEMBL1201191
    DB06282
    ZINC000019364230    		 1 C21 H25 Cl N2 O3 InChI=1S/C21H25ClN2O3/c22
    -19-8-6-18(7-9-19)21(17-4
    -2-1-3-5-17)24-12-10-23(1
    1-13-24)14-15-27-16-20(25
    )26/h1-9,21H,10-16H2,(H,2
    5,26)/t21-/m1/s1;
    ZKLPARSLTMPFCP-OAQYLSRUSA-N    		 OC(=O)COCCN1CCN(CC1)[CH](c2ccccc2)c3ccc(
    Cl)cc3; c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(C
    C3)CCOCC(=O)O; O=C(O)COCCN1CCN(CC1)C(c2c
    cccc2)c3ccc(Cl)cc3; OC(=O)COCCN1CCN(CC1)
    [C@H](c2ccccc2)c3ccc(Cl)cc3; c1ccc(cc1)[
    C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O    		 (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid;
    R-levocetirizine
    27134 LCS
    DB03787
    ZINC000103548283    		 10 C11 H14 N3 O7 P InChI=1S/C11H14N3O7P/c1-6
    -10(15)8(3-13-9-5-20-14-1
    1(9)16)7(2-12-6)4-21-22(1
    7,18)19/h2,15H,3-5H2,1H3,
    (H,14,16)(H2,17,18,19)/b1
    3-9+;
    KFCQHWOGBVCKHR-UKTHLTGXSA-N    		 O=C2/C(=N/Cc1c(cnc(c1O)C)COP(=O)(O)O)CON
    2; Cc1c(c(c(cn1)COP(=O)(O)O)CN=C2CONC2=O
    )O; Cc1ncc(CO[P](O)(O)=O)c(CN=C2CONC2=O)
    c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CO
    NC2=O)O    		 [5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate
    27135 LCT
    CHEMBL2087004
    ZINC000006781009    		 1 C10 H8 N4 O3 S InChI=1S/C10H8N4O3S/c1-6(
    15)11-10-13-12-9(18-10)7-
    2-4-8(5-3-7)14(16)17/h2-5
    H,1H3,(H,11,13,15);
    KTJUGKNFZGGFIC-UHFFFAOYSA-N    		 CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-];
    O=C(Nc1nnc(s1)c2ccc([N+]([O-])=O)cc2)C;
    CC(=O)Nc1sc(nn1)c2ccc(cc2)[N+]([O-])=O    		 N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
    27136 LCU 1 C14 H18 N2 O InChI=1S/C14H18N2O/c1-9-2
    -3-15-8-13(9)16-14(17)6-1
    0-4-11-7-12(11)5-10/h2-3,
    8,10-12H,4-7H2,1H3,(H,16,
    17)/t10-,11+,12-;
    WEHZCBNACMTKKE-ZSBIGDGJSA-N    		 Cc1ccncc1NC(=O)CC2CC3CC3C2; Cc1ccncc1NC(
    =O)CC2C[C@@H]3C[C@@H]3C2; Cc1ccncc1NC(=O
    )CC2C[CH]3C[CH]3C2; Cc1ccncc1NC(=O)CC2C[
    C@H]3C[C@H]3C2; O=C(Nc1cnccc1C)CC1CC2CC2
    C1    		 2-[(1R,3s,5S)-bicyclo[3.1.0]hexan-3-yl]-N-(4-methylpyridin-3-yl)acetamide
    27137 LCV 9 C24 H40 N7 O21 P3 S InChI=1S/C24H40N7O21P3S/c
    1-12(56(44,45)46)23(36)47
    -7-6-26-14(32)4-5-27-21(3
    5)18(34)24(2,3)9-49-55(42
    ,43)52-54(40,41)48-8-13-1
    7(51-53(37,38)39)16(33)22
    (50-13)31-11-30-15-19(25)
    28-10-29-20(15)31/h10-13,
    16-18,22,33-34H,4-9H2,1-3
    H3,(H,26,32)(H,27,35)(H,4
    0,41)(H,42,43)(H2,25,28,2
    9)(H2,37,38,39)(H,44,45,4
    6)/t12-,13+,16+,17+,18-,2
    2+/m0/s1;
    BEMUOEZGNHFKKE-IBNUZSNCSA-N    		 C[CH](C(=O)OCCNC(=O)CCNC(=O)[CH](O)C(C)(
    C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([C
    H](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)
    [S](O)(=O)=O; c3nc2n(C1OC(COP(OP(OCC(C(C
    (NCCC(NCCOC(C(S(=O)(=O)O)C)=O)=O)=O)O)(C
    )C)(O)=O)(=O)O)C(C1O)OP(O)(=O)O)cnc2c(N)
    n3; C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H]
    (C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H
    ]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O
    )(O)O)O)S(=O)(=O)O; CC(C(=O)OCCNC(=O)CCN
    C(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C
    (C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O
    )(=O)O; C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C
    @H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C
    @H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n
    2cnc3c(N)ncnc23)[S](O)(=O)=O    		 (2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid
    27138 LCW 1 C15 H14 N6 O InChI=1S/C15H14N6O/c1-2-1
    1-13-14(18-8-17-13)21-15(
    20-11)19-10-5-3-9(4-6-10)
    7-12(16)22/h2-6,8H,1,7H2,
    (H2,16,22)(H2,17,18,19,20
    ,21);
    LSWHKQJKPIFFMY-UHFFFAOYSA-N    		 C=Cc1c2c([nH]cn2)nc(n1)Nc3ccc(cc3)CC(=O)
    N; NC(=O)Cc1ccc(Nc2nc3[nH]cnc3c(C=C)n2)c
    c1    		 2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide
    27139 LCX 0 C7 H16 N2 O3 InChI=1/C7H16N2O3/c8-6(5-
    10)3-1-2-4-9-7(11)12/h6,9
    -10H,1-5,8H2,(H,11,12)/t6
    -/m0/s1/f/h11H;
    XHKWPAAHPLALGC-LBISWHJPDC    		 C(CCNC(=O)O)C[C@@H](CO)N; N[CH](CO)CCCCN
    C(O)=O; N[C@H](CO)CCCCNC(O)=O; C(CCNC(=O
    )O)CC(CO)N; O=C(O)NCCCCC(N)CO    		 CARBOXYLATED LYSINE;
    (5R)-5-AMINO-6-HYDROXYHEXYLCARBAMIC ACID
    27140 LCY
    CHEMBL317929
    ZINC000001712881    		 4 C5 H7 N O2 InChI=1S/C5H7NO2/c1-6-4(7
    )2-3-5(6)8/h2-3H2,1H3;
    KYEACNNYFNZCST-UHFFFAOYSA-N    		 O=C1N(C(=O)CC1)C; CN1C(=O)CCC1=O 1-methylpyrrolidine-2,5-dione
    27141 LCZ 0 C6 H13 N O InChI=1S/C6H13NO/c1-5(2)3
    -6(7)4-8/h4-6H,3,7H2,1-2H
    3/t6-/m0/s1;
    ZOFRRNUENOHELM-LURJTMIESA-N    		 O=CC(N)CC(C)C; CC(C)C[CH](N)C=O; CC(C)C[
    C@@H](C=O)N; CC(C)CC(C=O)N; CC(C)C[C@H](
    N)C=O    		 (2S)-2-amino-4-methylpentanal
    27142 LD0 3 C14 H19 N5 O5 S3 InChI=1S/C14H19N5O5S3/c1-
    24-19-10(8-5-27-14(15)17-
    8)11(21)16-7(2-20)12-18-9
    (13(22)23)6(3-25)4-26-12/
    h2,5-7,9,12,18,25H,3-4H2,
    1H3,(H2,15,17)(H,16,21)(H
    ,22,23)/b19-10-/t6-,7-,9+
    ,12-/m1/s1;
    KKQVBXSQHHBKNE-AZYSTIKISA-N    		 CO/N=C(C(=O)N[C@H](C=O)[C@@H]1N[C@@H]([C
    @H](CS)CS1)C(O)=O)/c2csc(N)n2; CO/N=C(/c
    1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC([C@
    @H](CS2)CS)C(=O)O; CON=C(C(=O)N[CH](C=O)
    [CH]1N[CH]([CH](CS)CS1)C(O)=O)c2csc(N)n2
    ; SCC1CSC(NC1C(=O)O)C(C=O)NC(=O)C(=N\OC)
    /c1csc(N)n1; CON=C(c1csc(n1)N)C(=O)NC(C=
    O)C2NC(C(CS2)CS)C(=O)O    		 (2R,4S,5R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-(sulfanylmethyl)-1,3-thiazinane-4-carboxylic acid
    27143 LD1
    ZINC000060292678    		 1 C18 H13 N5 O2 S InChI=1S/C18H13N5O2S/c24-
    15-9-25-14-7-6-12(8-13(14
    )20-15)16-17(11-4-2-1-3-5
    -11)26-18-21-19-10-23(18)
    22-16/h1-8,10,17H,9H2,(H,
    20,24)/t17-/m0/s1;
    PAZOXNQSXSODTC-KRWDZBQOSA-N    		 c1ccc(cc1)C2C(=Nn3cnnc3S2)c4ccc5c(c4)NC(
    =O)CO5; O=C1COc2ccc(cc2N1)C3=Nn4cnnc4S[C
    H]3c5ccccc5; O=C1Nc5c(OC1)ccc(C2=Nn4cnnc
    4SC2c3ccccc3)c5; c1ccc(cc1)[C@H]2C(=Nn3c
    nnc3S2)c4ccc5c(c4)NC(=O)CO5; O=C1COc2ccc
    (cc2N1)C3=Nn4cnnc4S[C@H]3c5ccccc5    		 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one
    27144 LD2
    ZINC000098209104    		 1 C18 H15 N5 O2 S InChI=1S/C18H15N5O2S/c24-
    17-10-25-16-7-6-13(9-15(1
    6)20-17)14(8-12-4-2-1-3-5
    -12)22-23-11-19-21-18(23)
    26/h1-7,9,11H,8,10H2,(H,2
    0,24)(H,21,26)/b22-14+;
    VWKIYKOULJUXRZ-HYARGMPZSA-N    		 Sc1nncn1/N=C(Cc2ccccc2)/c3ccc4OCC(=O)Nc4
    c3; Sc1nncn1N=C(Cc2ccccc2)c3ccc4OCC(=O)N
    c4c3; c1ccc(cc1)C/C(=N\n2cnnc2S)/c3ccc4c
    (c3)NC(=O)CO4; c1ccc(cc1)CC(=Nn2cnnc2S)c
    3ccc4c(c3)NC(=O)CO4; O=C1Nc4c(OC1)ccc(\C
    (=N\n2cnnc2S)Cc3ccccc3)c4    		 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one;
    6-[(1E)-N-(3-mercapto-4H-1,2,4-triazolo-4-yl)-2-phenylethanimidoyl]-2H-1,4-benzooxazin-3(4H)-one
    27145 LD3 1 C5 H8 B10 N O2 S InChI=1S/C5H8B10NO2S/c16-
    19(17,18)3-1-2-5-6-4-7(5,
    6)9(4)10(4)8(4,6)11(5,6)1
    3(5)12(5,7,9)15(9,10,13)1
    4(8,10,11)13/h1-3H2,(H2,1
    6,17,18);
    GZJGPPMPTGFUSA-UHFFFAOYSA-N    		 B1234B567B189B212B33%10B454B656B787C911B
    232B715C4%1062CCCS(=O)(=O)N; N[S](=O)(=O
    )CCC[C]1234[B]567[B]89%10[B]5%11%12[B]8%
    13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18
    %19[B]%11%13([B]47%12%18)[C]%14%16%17%19    		 meta-carboran-propylsulfonamid
    27146 LD4
    CHEMBL1391502
    ZINC000000433032    		 1 C11 H17 N3 InChI=1S/C11H17N3/c1-2-4-
    7-10(6-3-1)14-11-12-8-5-9
    -13-11/h5,8-10H,1-4,6-7H2
    ,(H,12,13,14);
    DYFJUGGWBNHTMD-UHFFFAOYSA-N    		 n1c(nccc1)NC2CCCCCC2; c1cnc(nc1)NC2CCCCC
    C2; C1CCCC(CC1)Nc2ncccn2    		 N-cycloheptylpyrimidin-2-amine
    27147 LD5 1 C13 H12 N6 O2 S InChI=1S/C13H12N6O2S/c1-2
    -10-11-12(16-7-15-11)19-1
    3(18-10)17-8-3-5-9(6-4-8)
    22(14,20)21/h2-7H,1H2,(H2
    ,14,20,21)(H2,15,16,17,18
    ,19);
    KGGMBTYAIOMGPI-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(Nc2nc(C=C)c3[nH]cnc3n2
    )cc1; C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)
    S(=O)(=O)N    		 4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
    27148 LD6 4 C18 H17 F N4 O4 S InChI=1S/C18H17FN4O4S/c1-
    22(28(26,27)14-8-3-2-4-9-
    14)15-16(20)23(18(25)21-1
    7(15)24)11-12-6-5-7-13(19
    )10-12/h2-10H,11,20H2,1H3
    ,(H,21,24,25);
    UTULDMQEJDMUBS-UHFFFAOYSA-N    		 CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)F)N)S(=O
    )(=O)c3ccccc3; CN(C1=C(N)N(Cc2cccc(F)c2)
    C(=O)NC1=O)[S](=O)(=O)c3ccccc3    		 N-(6-Amino-1-(3-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide
    27149 LD7 1 C12 H12 F N3 O2 InChI=1S/C12H12FN3O2/c1-2
    -10-15-12(18-16-10)11(17)
    14-7-8-3-5-9(13)6-4-8/h3-
    6H,2,7H2,1H3,(H,14,17);
    FNKOMHDIZVWDKR-UHFFFAOYSA-N    		 n2oc(C(NCc1ccc(F)cc1)=O)nc2CC; CCc1noc(n
    1)C(=O)NCc2ccc(F)cc2; CCc1nc(on1)C(=O)NC
    c2ccc(cc2)F    		 3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
    27150 LD8
    ZINC000000156811    		 1 C6 H8 N2 O2 InChI=1S/C6H8N2O2/c1-9-5-
    3-4-7-6(8-5)10-2/h3-4H,1-
    2H3;
    KEVRHVMWBKFGLO-UHFFFAOYSA-N    		 COc1ccnc(n1)OC; COc1ccnc(OC)n1 2,4-dimethoxypyrimidine
    27151 LD9 1 C16 H13 N O3 InChI=1S/C16H13NO3/c18-16
    (19)8-11-10-20-15-9-13(6-
    7-14(11)15)17-12-4-2-1-3-
    5-12/h1-7,9-10,17H,8H2,(H
    ,18,19);
    OMQCVWMJZNPZAM-UHFFFAOYSA-N    		 c1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O; OC(=O
    )Cc1coc2cc(Nc3ccccc3)ccc12; C(O)(Cc2coc3
    cc(Nc1ccccc1)ccc23)=O    		 [6-(phenylamino)-1-benzofuran-3-yl]acetic acid
    27152 LDA
    CHEMBL1233973
    DB04147
    ZINC000002039372    		 0 C14 H31 N O InChI=1S/C14H31NO/c1-4-5-
    6-7-8-9-10-11-12-13-14-15
    (2,3)16/h4-14H2,1-3H3;
    SYELZBGXAIXKHU-UHFFFAOYSA-N    		 CCCCCCCCCCCC[N+](C)(C)[O-]; [O-][N+](CCC
    CCCCCCCCC)(C)C    		 LAURYL DIMETHYLAMINE-N-OXIDE
    27153 LDB
    CHEMBL1650608
    ZINC000005117659    		 1 C4 H4 N2 O S InChI=1S/C4H4N2OS/c7-4-5-
    2-1-3(8)6-4/h1-2H,(H2,5,6
    ,7,8);
    OVONXEQGWXGFJD-UHFFFAOYSA-N    		 C1=CNC(=O)NC1=S; O=C1NC=CC(=S)N1 4-Thiouracil;
    4-sulfanylidene-1~{H}-pyrimidin-2-one
    27154 LDC
    CHEMBL554563
    ZINC000000004253    		 2 C9 H13 N3 O4 InChI=1S/C9H13N3O4/c10-7-
    1-2-12(9(15)11-7)8-3-5(14
    )6(4-13)16-8/h1-2,5-6,8,1
    3-14H,3-4H2,(H2,10,11,15)
    /t5-,6+,8+/m1/s1;
    CKTSBUTUHBMZGZ-CHKWXVPMSA-N    		 NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO)O2
    ; C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N
    )CO)O; C1C(C(OC1N2C=CC(=NC2=O)N)CO)O; NC
    1=NC(=O)N(C=C1)[C@@H]2C[C@@H](O)[C@H](CO
    )O2; O=C1N=C(N)C=CN1C2OC(C(O)C2)CO    		 4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE;
    L-2'-DEOXYCYTIDINE
    27155 LDD
    ZINC000000123245    		 1 C14 H19 N O2 InChI=1S/C14H19NO2/c1-17-
    13-8-6-12(7-9-13)14(16)15
    -10-4-2-3-5-11-15/h6-9H,2
    -5,10-11H2,1H3;
    OOKCGNCOULVMQS-UHFFFAOYSA-N    		 N1(CCCCCC1)C(c2ccc(cc2)OC)=O; COc1ccc(cc
    1)C(=O)N2CCCCCC2    		 (azepan-1-yl)(4-methoxyphenyl)methanone
    27156 LDE
    ZINC000025109584    		 1 C11 H22 N O6 P InChI=1S/C11H22NO6P/c1-7(
    2)5-9(12)19(17,18)6-8(11(
    15)16)3-4-10(13)14/h7-9H,
    3-6,12H2,1-2H3,(H,13,14)(
    H,15,16)(H,17,18)/t8-,9+/
    m0/s1;
    GANKYZVDRZVCGT-DTWKUNHWSA-N    		 CC(C)C[C@H](N)P(=O)(C[C@H](CCC(=O)O)C(=O
    )O)O; CC(C)C[CH](N)[P](O)(=O)C[CH](CCC(O
    )=O)C(O)=O; CC(C)C[C@H](N)[P](O)(=O)C[C@
    H](CCC(O)=O)C(O)=O; O=P(O)(CC(C(=O)O)CCC
    (=O)O)C(N)CC(C)C; CC(C)CC(N)P(=O)(CC(CCC
    (=O)O)C(=O)O)O    		 (2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid;
    L-LEU-D-GLU PHOSPHINATE PSEUDODIPEPTIDE
    27157 LDG 0 C27 H26 N5 O11 P InChI=1S/C27H26N5O11P/c1-
    40-17-7-14-20(23(35)13-6-
    4-3-5-12(13)22(14)34)24(4
    1-2)15(17)9-28-27-30-25-2
    1(26(36)31-27)29-11-32(25
    )19-8-16(33)18(43-19)10-4
    2-44(37,38)39/h3-7,11,16,
    18-19,33H,8-10H2,1-2H3,(H
    2,37,38,39)(H2,28,30,31,3
    6)/t16-,18+,19+/m0/s1;
    DZJXUNLGRPPLSY-QXAKKESOSA-N    		 COc1cc2c(c(c1CNC3=Nc4c(ncn4C5CC(C(O5)COP
    (=O)(O)O)O)C(=O)N3)OC)C(=O)c6ccccc6C2=O;
    COc1cc2C(=O)c3ccccc3C(=O)c2c(OC)c1CNC4=
    Nc5n(cnc5C(=O)N4)[C@H]6C[C@H](O)[C@@H](C
    O[P](O)(O)=O)O6; O=C5c1c(cc(c(c1OC)CNC4=
    Nc3n(C2CC(C(COP(O)(=O)O)O2)O)cnc3C(N4)=O
    )OC)C(=O)c6c5cccc6; COc1cc2c(c(c1CNC3=Nc
    4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)
    O)O)C(=O)N3)OC)C(=O)c6ccccc6C2=O; COc1cc
    2C(=O)c3ccccc3C(=O)c2c(OC)c1CNC4=Nc5n(cn
    c5C(=O)N4)[CH]6C[CH](O)[CH](CO[P](O)(O)=
    O)O6    		 2'-deoxy-N-[(1,3-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]guanosine 5'-(dihydrogen phosphate)
    27158 LDH
    ZINC000001672447    		 0 C8 H18 N2 O2 InChI=1S/C8H18N2O2/c1-2-1
    0-6-4-3-5-7(9)8(11)12/h7,
    10H,2-6,9H2,1H3,(H,11,12)
    /t7-/m0/s1;
    PJWAKMZYPDSMFR-ZETCQYMHSA-N    		 CCNCCCC[CH](N)C(O)=O; O=C(O)C(N)CCCCNCC;
    CCNCCCCC(C(=O)O)N; CCNCCCC[C@@H](C(=O)O
    )N; CCNCCCC[C@H](N)C(O)=O    		 N~6~-ETHYL-L-LYSINE
    27159 LDI 1 C15 H23 N3 O2 InChI=1S/C15H23N3O2/c19-1
    5(17-20)14-6-9-18(10-7-14
    )11-8-16-12-13-4-2-1-3-5-
    13/h1-5,14,16,20H,6-12H2,
    (H,17,19);
    IKRHDIZZKCLEPC-UHFFFAOYSA-N    		 c1ccc(cc1)CNCCN2CCC(CC2)C(=O)NO; ONC(=O)
    C1CCN(CCNCc2ccccc2)CC1    		 1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide
    27160 LDJ
    ZINC000000150322    		 1 C10 H15 N3 O2 S InChI=1S/C10H15N3O2S/c1-6
    (2)8(14)11-10-13-12-9(16-
    10)7-4-3-5-15-7/h6-7H,3-5
    H2,1-2H3,(H,11,13,14)/t7-
    /m0/s1;
    UBZAQRIGLKOVAH-ZETCQYMHSA-N    		 CC(C)C(=O)N=C1NN=C(S1)[CH]2CCCO2; CC(C)C
    (=O)N=C1NN=C(S1)C2CCCO2; N(/C(C(C)C)=O)=
    C2\NN=C(C1OCCC1)S2; CC(C)C(=O)/N=C\1/NN=
    C(S1)[C@@H]2CCCO2; CC(C)C(=O)N=C1NN=C(S1
    )[C@@H]2CCCO2    		 2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide
    27161 LDK 1 C10 H16 N2 O10 S InChI=1S/C10H16N2O10S/c13
    -7(14)3-1-5(9(17)18)11-23
    (21,22)12-6(10(19)20)2-4-
    8(15)16/h5-6,11-12H,1-4H2
    ,(H,13,14)(H,15,16)(H,17,
    18)(H,19,20)/t5-,6-/m0/s1;
    VLYWUCXOEFVQPS-WDSKDSINSA-N    		 C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H
    ](CCC(=O)O)C(=O)O; OC(=O)CC[C@H](N[S](=O
    )(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O; C(C
    C(=O)O)C(C(=O)O)NS(=O)(=O)NC(CCC(=O)O)C(
    =O)O; OC(=O)CC[CH](N[S](=O)(=O)N[CH](CCC
    (O)=O)C(O)=O)C(O)=O    		 (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid
    27162 LDL 2 C19 H20 N8 O InChI=1S/C19H20N8O/c20-24
    -18(28)15-3-1-13(2-4-15)1
    1-27-12-17(25-26-27)14-5-
    7-16(8-6-14)23-19-21-9-10
    -22-19/h1-8,12H,9-11,20H2
    ,(H,24,28)(H2,21,22,23);
    FNWSHZHKFUFPQJ-UHFFFAOYSA-N    		 c1cc(ccc1Cn2cc(nn2)c3ccc(cc3)N=C4NCCN4)C
    (=O)NN; NNC(=O)c1ccc(Cn2cc(nn2)c3ccc(cc3
    )N=C4NCCN4)cc1    		 4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide
    27163 LDM
    DB01736
    ZINC000053683257    		 2 C17 H36 N2 O2 InChI=1S/C17H36N2O2/c1-4-
    5-6-7-8-9-10-11-12-14-17(
    20)18-15-13-16-19(2,3)21/
    h4-16H2,1-3H3,(H,18,20);
    JNGWKQJZIUZUPR-UHFFFAOYSA-N    		 CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]; [O-]
    [N+](C)(CCCNC(=O)CCCCCCCCCCC)C    		 3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDE;
    [3-(DODECANOYLAMINO)PROPYL](HYDROXY)DIMETHYLAMMONIUM
    27164 LDN
    CHEMBL513147
    DB18051
    ZINC000040880920    		 33 C25 H22 N6 InChI=1S/C25H22N6/c1-2-4-
    24-22(3-1)21(9-10-27-24)2
    3-16-29-31-17-19(15-28-25
    (23)31)18-5-7-20(8-6-18)3
    0-13-11-26-12-14-30/h1-10
    ,15-17,26H,11-14H2;
    CDOVNWNANFFLFJ-UHFFFAOYSA-N    		 C1CN(CCN1)c2ccc(cc2)c3cnc4n(c3)ncc4c5ccn
    c6ccccc56; c1ccc2c(c1)c(ccn2)c3cnn4c3ncc
    (c4)c5ccc(cc5)N6CCNCC6; n1cc(cn2ncc(c12)
    c3c4ccccc4ncc3)c6ccc(N5CCNCC5)cc6    		 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
    27165 LDO
    CHEMBL1233976
    DB03412
    ZINC000001747033    		 5 C6 H13 N O3 InChI=1S/C6H13NO3/c7-5(6(
    9)10)3-1-2-4-8/h5,8H,1-4,
    7H2,(H,9,10)/t5-/m0/s1;
    OLUWXTFAPJJWPL-YFKPBYRVSA-N    		 N[CH](CCCCO)C(O)=O; C(CCO)C[C@@H](C(=O)O
    )N; O=C(O)C(N)CCCCO; C(CCO)CC(C(=O)O)N;
    N[C@@H](CCCCO)C(O)=O    		 6-HYDROXY-L-NORLEUCINE
    27166 LDP
    CHEMBL59
    DB00988
    ZINC000000033882    		 54 C8 H11 N O2 InChI=1S/C8H11NO2/c9-4-3-
    6-1-2-7(10)8(11)5-6/h1-2,
    5,10-11H,3-4,9H2;
    VYFYYTLLBUKUHU-UHFFFAOYSA-N    		 NCCc1ccc(O)c(O)c1; c1cc(c(cc1CCN)O)O; Oc
    1ccc(cc1O)CCN    		 L-DOPAMINE;
    DOPAMINE
    27167 LDQ 11 C15 H20 N2 O InChI=1S/C15H20N2O/c1-9-6
    -13-11-8-17-12(4-3-5-14(1
    7)18)10(15(9)11)7-16(13)2
    /h3-5,9-11,13,15H,6-8H2,1
    -2H3/t9-,10-,11-,13-,15-/
    m1/s1;
    PDPSDBUFNKLMBE-FPVNZWGXSA-N    		 CC1CC2C3C1C(CN2C)C4=CC=CC(=O)N4C3; C[CH]
    1C[CH]2[CH]3CN4C(=O)C=CC=C4[CH](CN2C)[CH
    ]13; C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H](
    CN2C)C4=CC=CC(=O)N4C3; C[C@@H]1C[C@@H]2[
    C@H]3CN4C(=O)C=CC=C4[C@@H](CN2C)[C@@H]13    		 Hosieine
    27168 LDR
    CHEMBL45245
    ZINC000008580818    		 6 C13 H9 N O InChI=1S/C13H9NO/c15-13-1
    1-7-2-1-5-9(11)10-6-3-4-8
    -12(10)14-13/h1-8H,(H,14,
    15);
    RZFVLEJOHSLEFR-UHFFFAOYSA-N    		 O=C1Nc2ccccc2c3ccccc13; O=C2c3c(c1c(cccc
    1)N2)cccc3; c1ccc2c(c1)-c3ccccc3NC2=O    		 phenanthridin-6(5H)-one
    27169 LDS
    CHEMBL1498470
    ZINC000000418316    		 1 C13 H13 N3 O2 InChI=1S/C13H13N3O2/c1-2-
    18-11-5-3-10(4-6-11)16-13
    (17)12-9-14-7-8-15-12/h3-
    9H,2H2,1H3,(H,16,17);
    QLRHMFFHGZFFID-UHFFFAOYSA-N    		 CCOc1ccc(NC(=O)c2cnccn2)cc1; CCOc1ccc(cc
    1)NC(=O)c2cnccn2; n2ccnc(C(Nc1ccc(cc1)OC
    C)=O)c2    		 N-(4-ethoxyphenyl)pyrazine-2-carboxamide
    27170 LDT
    CHEMBL395347
    DB08084
    ZINC000013137482    		 18 C16 H12 Br F2 N O3 S InChI=1S/C16H12BrF2NO3S/c
    17-10-2-1-9(13(19)5-10)7-
    20-16(24)12-4-3-11(18)6-1
    4(12)23-8-15(21)22/h1-6H,
    7-8H2,(H,20,24)(H,21,22);
    JCZUIWYXULSXSW-UHFFFAOYSA-N    		 Brc1cc(F)c(cc1)CNC(=S)c2ccc(F)cc2OCC(=O)
    O; OC(=O)COc1cc(F)ccc1C(=S)NCc2ccc(Br)cc
    2F; c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc
    2F)Br    		 IDD594;
    [2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID
    27171 LDU
    CHEMBL1289018
    ZINC000026187408    		 1 C5 H11 N O3 InChI=1S/C5H11NO3/c7-2-3-
    5(9)4(8)1-6-3/h3-9H,1-2H2
    /t3-,4-,5+/m1/s1;
    OQEBIHBLFRADNM-WDCZJNDASA-N    		 C1[C@H]([C@H]([C@H](N1)CO)O)O; C1C(C(C(N
    1)CO)O)O; OC[CH]1NC[CH](O)[CH]1O; OC[C@H
    ]1NC[C@@H](O)[C@H]1O    		 DIDEOXY-IMINO-LYXITOL
    27172 LDV
    CHEMBL57478
    ZINC000000142608    		 4 C15 H20 N2 InChI=1S/C15H20N2/c1-12-6
    -8-17(9-7-12)11-13-10-16-
    15-5-3-2-4-14(13)15/h2-5,
    10,12,16H,6-9,11H2,1H3;
    DGCGMYNLCDVYMB-UHFFFAOYSA-N    		 CC1CCN(CC1)Cc2c[nH]c3c2cccc3; CC1CCN(CC1
    )Cc2c[nH]c3ccccc23; N1(CCC(CC1)C)Cc3c2c(
    cccc2)nc3    		 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
    27173 LDW
    ZINC000019869091    		 2 C11 H9 F N2 O InChI=1S/C11H9FN2O/c12-8-
    1-3-9(4-2-8)15-10-5-6-11(
    13)14-7-10/h1-7H,(H2,13,1
    4);
    GJYQBDCLIHYVSB-UHFFFAOYSA-N    		 c1cc(ccc1Oc2ccc(nc2)N)F; Nc1ccc(Oc2ccc(F
    )cc2)cn1    		 5-(4-fluoranylphenoxy)pyridin-2-amine
    27174 LDX 1 C15 H15 F N2 O InChI=1S/C15H15FN2O/c1-11
    -8-9-17-10-14(11)18-15(19
    )7-6-12-4-2-3-5-13(12)16/
    h2-5,8-10H,6-7H2,1H3,(H,1
    8,19);
    QOFPSTBMBIOUPW-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)CCc2ccccc2F; O=C(Nc1cnccc
    1C)CCc1ccccc1F    		 3-(2-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide
    27175 LDY
    CHEMBL1159661
    ZINC000003861573    		 2 C5 H10 O5 InChI=1S/C5H10O5/c6-2-1-1
    0-5(9)4(8)3(2)7/h2-9H,1H2
    /t2-,3+,4+,5+/m1/s1;
    SRBFZHDQGSBBOR-STGXQOJASA-N    		 C1C(C(C(C(O1)O)O)O)O; C1[C@H]([C@@H]([C@
    @H]([C@H](O1)O)O)O)O; O[CH]1CO[CH](O)[CH
    ](O)[CH]1O; O[C@@H]1CO[C@H](O)[C@@H](O)[
    C@H]1O; OC1C(O)COC(O)C1O    		 alpha-D-lyxopyranose;
    alpha-D-lyxose;
    D-lyxose;
    lyxose
    27176 LDZ
    CHEMBL64925
    ZINC000013476439    		 35 C26 H41 N3 O5 InChI=1S/C26H41N3O5/c1-17
    (2)12-21(15-30)27-24(31)2
    2(13-18(3)4)28-25(32)23(1
    4-19(5)6)29-26(33)34-16-2
    0-10-8-7-9-11-20/h7-11,15
    ,17-19,21-23H,12-14,16H2,
    1-6H3,(H,27,31)(H,28,32)(
    H,29,33)/t21-,22-,23-/m0/
    s1;
    TZYWCYJVHRLUCT-VABKMULXSA-N    		 CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](
    CC(C)C)NC(=O)OCc1ccccc1)C=O; CC(C)C[C@H]
    (NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N
    C(=O)OCc1ccccc1)C=O; CC(C)CC(C=O)NC(=O)C
    (CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1;
    CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(
    =O)[C@H](CC(C)C)NC(=O)OCc1ccccc1; O=CC(N
    C(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C
    C(C)C)CC(C)C    		 N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide
    27177 LE0 2 C11 H9 F3 O4 InChI=1S/C11H9F3O4/c12-11
    (13,14)7-3-1-2-6(4-7)5-8(
    9(15)16)10(17)18/h1-4,8H,
    5H2,(H,15,16)(H,17,18);
    XSRNMILKEJWHAP-UHFFFAOYSA-N    		 OC(=O)C(Cc1cccc(c1)C(F)(F)F)C(O)=O; FC(F
    )(F)c1cccc(CC(C(=O)O)C(=O)O)c1; c1cc(cc(
    c1)C(F)(F)F)CC(C(=O)O)C(=O)O    		 {[3-(trifluoromethyl)phenyl]methyl}propanedioic acid
    27178 LE1
    CHEMBL207222
    ZINC000000114124    		 0 C5 H11 N O2 S InChI=1S/C5H11NO2S/c1-5(2
    ,9)3(6)4(7)8/h3,9H,6H2,1-
    2H3,(H,7,8)/t3-/m1/s1;
    VVNCNSJFMMFHPL-GSVOUGTGSA-N    		 CC(C)([C@@H](C(=O)O)N)S; O=C(O)C(N)C(S)(
    C)C; CC(C)(S)[CH](N)C(O)=O; CC(C)(C(C(=O
    )O)N)S; CC(C)(S)[C@H](N)C(O)=O    		 3-sulfanyl-L-valine;
    L-LE1ICILLAMINE;
    L-Penicillamine
    27179 LE2
    ZINC000082123400    		 6 C9 H11 N S InChI=1S/C9H11NS/c11-8-10
    -7-6-9-4-2-1-3-5-9/h1-5,8
    H,6-7H2,(H,10,11);
    WVJCPUDEWCGDGL-UHFFFAOYSA-N    		 S=CNCCc1ccccc1; c1ccc(cc1)CCNC=S N-(2-phenylethyl)thioformamide;
    Phenylethyl isothiocyanate, bound form;
    N-(2-phenylethyl)thiocarbamyl group
    27180 LE3 3 C6 H13 N O S2 InChI=1S/C6H13NOS2/c1-10(
    8)5-3-2-4-7-6-9/h6H,2-5H2
    ,1H3,(H,7,9)/t10-/m1/s1;
    ZWRKPZDQBQKJAE-SNVBAGLBSA-N    		 CS(=O)CCCCNC=S; C[S@@](=O)CCCCNC=S; O=S(
    CCCCNC=S)C; C[S](=O)CCCCNC=S    		 N-{4-[(R)-methylsulfinyl]butyl}thioformamide;
    L-Sulforaphane, bound form
    27181 LE4 1 C12 H19 N3 O InChI=1S/C12H19N3O/c16-9-
    11-7-8-13-12(15-11)14-10-
    5-3-1-2-4-6-10/h7-8,10,16
    H,1-6,9H2,(H,13,14,15);
    PZZOPLADVYBJMO-UHFFFAOYSA-N    		 c1cnc(nc1CO)NC2CCCCCC2; OCc1ccnc(NC2CCCC
    CC2)n1; n1c(nc(CO)cc1)NC2CCCCCC2    		 [2-(cycloheptylamino)pyrimidin-4-yl]methanol
    27182 LE5
    ZINC000101496155    		 1 C18 H14 Cl N5 O InChI=1S/C18H14ClN5O/c19-
    13-6-8-14(9-7-13)20-11-15
    -10-16(25)24-18(21-15)22-
    17(23-24)12-4-2-1-3-5-12/
    h1-10,20H,11H2,(H,21,22,2
    3);
    WFVVVUVTAKJMMN-UHFFFAOYSA-N    		 c1ccc(cc1)c2nc3n(n2)C(=O)C=C(N3)CNc4ccc(
    cc4)Cl; Clc1ccc(cc1)NCC1=CC(=O)n2nc(nc2N
    1)c1ccccc1; Clc1ccc(NCC2=CC(=O)n3nc(nc3N
    2)c4ccccc4)cc1    		 (8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
    27183 LE6
    CHEMBL429910
    DB06292
    ZINC000003819138    		 1 C21 H25 Cl O6 InChI=1S/C21H25ClO6/c1-2-
    27-15-6-3-12(4-7-15)9-14-
    10-13(5-8-16(14)22)21-20(
    26)19(25)18(24)17(11-23)2
    8-21/h3-8,10,17-21,23-26H
    ,2,9,11H2,1H3/t17-,18-,19
    +,20-,21+/m1/s1;
    JVHXJTBJCFBINQ-ADAARDCZSA-N    		 CCOc1ccc(cc1)Cc2cc(ccc2Cl)[C@H]3[C@@H]([
    C@H]([C@@H]([C@H](O3)CO)O)O)O; CCOc1ccc(
    Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[
    C@H](O)[C@H]3O)cc1; CCOc1ccc(Cc2cc(ccc2C
    l)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc1
    ; CCOc1ccc(cc1)Cc2cc(ccc2Cl)C3C(C(C(C(O3
    )CO)O)O)O    		 (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;
    Dapagliflozin
    27184 LE7 1 C14 H16 F N3 O InChI=1S/C14H16FN3O/c1-2-
    3-12-8-13(18-17-12)14(19)
    16-9-10-4-6-11(15)7-5-10/
    h4-8H,2-3,9H2,1H3,(H,16,1
    9)(H,17,18);
    KKFBJVYZUOHAJE-UHFFFAOYSA-N    		 CCCc1cc([nH]n1)C(=O)NCc2ccc(F)cc2; n1c(c
    c(CCC)n1)C(NCc2ccc(cc2)F)=O; CCCc1cc([nH
    ]n1)C(=O)NCc2ccc(cc2)F    		 N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide
    27185 LE8
    CHEMBL1089776
    ZINC000049067135    		 1 C17 H10 Cl F2 N3 O InChI=1S/C17H10ClF2N3O/c1
    8-14-6-11(5-4-10(14)8-21)
    23-17-22-9-12(24-17)7-13-
    15(19)2-1-3-16(13)20/h1-6
    ,9H,7H2,(H,22,23);
    XMNGPECGUKASMW-UHFFFAOYSA-N    		 c1cc(c(c(c1)F)Cc2cnc(o2)Nc3ccc(c(c3)Cl)C
    #N)F; Fc1cccc(F)c1Cc2oc(Nc3ccc(C#N)c(Cl)
    c3)nc2; Fc1cccc(F)c1Cc1cnc(Nc2cc(Cl)c(C#
    N)cc2)o1    		 2-chloro-4-({5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl}amino)benzonitrile
    27186 LE9
    CHEMBL5183297
    ZINC000012395922    		 2 C4 H3 Br F3 N3 InChI=1S/C4H3BrF3N3/c5-1-
    2(4(6,7)8)10-11-3(1)9/h(H
    3,9,10,11);
    ZHAMWMKUYVFDJH-UHFFFAOYSA-N    		 Nc1n[nH]c(c1Br)C(F)(F)F; c1(c([nH]nc1N)C
    (F)(F)F)Br    		 4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine;
    4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine
    27187 LEA
    CHEMBL268736
    DB02406
    ZINC000031500905    		 11 C5 H10 O2 InChI=1S/C5H10O2/c1-2-3-4
    -5(6)7/h2-4H2,1H3,(H,6,7);
    NQPDZGIKBAWPEJ-UHFFFAOYSA-N    		 O=C(O)CCCC; CCCCC(=O)O; CCCCC(O)=O PENTANOIC ACID;
    VALERIC ACID
    27188 LEB 2 C16 H14 Br F3 N2 InChI=1S/C16H14BrF3N2/c1-
    21-8-10-2-5-14-13(6-10)12
    -4-3-11(17)7-15(12)22(14)
    9-16(18,19)20/h2-7,21H,8-
    9H2,1H3;
    CSLYGNIMFCLAJX-UHFFFAOYSA-N    		 CNCc1ccc2n(CC(F)(F)F)c3cc(Br)ccc3c2c1; C
    NCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br    		 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine
    27189 LEC
    CHEMBL595014
    DB18294
    ZINC000002150875    		 14 C14 H18 N2 O8 InChI=1S/C14H18N2O8/c1-7(
    18)15-11-13(20)12(19)10(6
    -17)24-14(11)23-9-4-2-8(3
    -5-9)16(21)22/h2-5,10-14,
    17,19-20H,6H2,1H3,(H,15,1
    8)/t10-,11-,12-,13-,14-/m
    1/s1;
    OMRLTNCLYHKQCK-DHGKCCLASA-N    		 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1
    Oc2ccc(cc2)[N+]([O-])=O; CC(=O)N[C@@H]1[
    C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc(
    cc2)[N+]([O-])=O; CC(=O)NC1C(C(C(OC1Oc2c
    cc(cc2)[N+](=O)[O-])CO)O)O; CC(=O)N[C@@H
    ]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[
    N+](=O)[O-])CO)O)O; [O-][N+](=O)c2ccc(OC
    1OC(C(O)C(O)C1NC(=O)C)CO)cc2    		 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside;
    N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]ethanamide;
    4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucoside;
    4-nitrophenyl 2-acetamido-2-deoxy-D-glucoside;
    4-nitrophenyl 2-acetamido-2-deoxy-glucoside
    27190 LED
    ZINC000034870132    		 0 C6 H11 N O3 InChI=1S/C6H11NO3/c1-4(3-
    8)2-5(7)6(9)10/h3-5H,2,7H
    2,1H3,(H,9,10)/t4-,5+/m1/
    s1;
    ALVALNHXAQAJAM-UHNVWZDZSA-N    		 C[CH](C[CH](N)C(O)=O)C=O; CC(CC(C(=O)O)N
    )C=O; C[C@H](C[C@@H](C(=O)O)N)C=O; C[C@H
    ](C[C@H](N)C(O)=O)C=O; O=CC(C)CC(N)C(=O)
    O    		 (4R)-5-OXO-L-LEUCINE
    27191 LEE
    CHEMBL345292
    DB04132
    ZINC000003874923    		 2 C16 H29 N3 O6 S InChI=1S/C16H29N3O6S/c1-2
    -3-4-5-8-26-10-12(15(23)1
    8-9-14(21)22)19-13(20)7-6
    -11(17)16(24)25/h11-12H,2
    -10,17H2,1H3,(H,18,23)(H,
    19,20)(H,21,22)(H,24,25)/
    t11-,12-/m0/s1;
    HXJDWCWJDCOHDG-RYUDHWBXSA-N    		 CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O
    )N; O=C(NC(C(=O)NCC(=O)O)CSCCCCCC)CCC(C(
    =O)O)N; CCCCCCSC[CH](NC(=O)CC[CH](N)C(O)
    =O)C(=O)NCC(O)=O; CCCCCCSC[C@H](NC(=O)CC
    [C@H](N)C(O)=O)C(=O)NCC(O)=O; CCCCCCSC[C
    @@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O
    )N    		 L-gamma-glutamyl-S-hexyl-L-cysteinylglycine
    27192 LEF
    DB02542    		 0 C6 H12 F N O2 InChI=1S/C6H12FNO2/c1-4(3
    -7)2-5(8)6(9)10/h4-5H,2-3
    ,8H2,1H3,(H,9,10)/t4-,5-/
    m0/s1;
    FHOARJRQRXAPOF-WHFBIAKZSA-N    		 C[C@@H](C[C@@H](C(=O)O)N)CF; CC(CC(C(=O)
    O)N)CF; C[CH](CF)C[CH](N)C(O)=O; FCC(CC(
    N)C(=O)O)C; C[C@H](CF)C[C@H](N)C(O)=O    		 (4S)-5-FLUORO-L-LEUCINE
    27193 LEG
    CHEMBL237600
    DB08085
    ZINC000013829389    		 2 C15 H20 O InChI=1S/C15H20O/c1-3-5-6
    -7-8-13-9-11-14(12-10-13)
    15(16)4-2/h4,9-12H,2-3,5-
    8H2,1H3;
    IINHTEWASPUCMH-UHFFFAOYSA-N    		 O=C(c1ccc(cc1)CCCCCC)\C=C; CCCCCCc1ccc(c
    c1)C(=O)C=C    		 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE
    27194 LEH
    DB08086
    ZINC000053683360    		 2 C21 H37 N3 O3 InChI=1S/C21H37N3O3/c1-18
    (2)16-19(21(26)27)23-20(2
    5)12-10-8-6-4-3-5-7-9-11-
    14-24-15-13-22-17-24/h13,
    15,17-19H,3-12,14,16H2,1-
    2H3,(H,23,25)(H,26,27)/t1
    9-/m0/s1;
    PSJOKLGFODYIHJ-IBGZPJMESA-N    		 O=C(O)C(NC(=O)CCCCCCCCCCCn1ccnc1)CC(C)C;
    CC(C)CC(C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1
    ; CC(C)C[CH](NC(=O)CCCCCCCCCCCn1ccnc1)C(
    O)=O; CC(C)C[C@@H](C(=O)O)NC(=O)CCCCCCCC
    CCCn1ccnc1; CC(C)C[C@H](NC(=O)CCCCCCCCCC
    Cn1ccnc1)C(O)=O    		 N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine
    27195 LEI
    CHEMBL1430
    DB00859
    ZINC000000114127    		 0 C5 H11 N O2 S InChI=1S/C5H11NO2S/c1-5(2
    ,9)3(6)4(7)8/h3,9H,6H2,1-
    2H3,(H,7,8)/t3-/m0/s1;
    VVNCNSJFMMFHPL-VKHMYHEASA-N    		 O=C(O)C(N)C(S)(C)C; CC(C)([C@H](C(=O)O)N
    )S; CC(C)(S)[CH](N)C(O)=O; CC(C)(S)[C@@H
    ](N)C(O)=O; CC(C)(C(C(=O)O)N)S    		 3-sulfanyl-D-valine;
    D-PENICILLAMINE
    27196 LEJ 1 C12 H10 F3 N3 O InChI=1S/C12H10F3N3O/c13-
    9-3-1-8(2-4-9)7-16-11(19)
    10-5-6-18(17-10)12(14)15/
    h1-6,12H,7H2,(H,16,19);
    VWUCCGXVOAIBBR-UHFFFAOYSA-N    		 n2(ccc(C(NCc1ccc(F)cc1)=O)n2)C(F)F; c1cc
    (ccc1CNC(=O)c2ccn(n2)C(F)F)F; FC(F)n1ccc
    (n1)C(=O)NCc2ccc(F)cc2    		 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide
    27197 LEK 4 C19 H19 N3 S InChI=1S/C19H19N3S/c1-3-2
    2-18-7-4-13(10-20-2)8-16(
    18)15-6-5-14(9-19(15)22)1
    7-11-23-12-21-17/h4-9,11-
    12,20H,3,10H2,1-2H3;
    BYZRRANZUUJGLQ-UHFFFAOYSA-N    		 CCn1c2ccc(CNC)cc2c3ccc(cc13)c4cscn4; CCn
    1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC    		 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine
    27198 LEL
    CHEMBL3621851
    ZINC000230584273    		 2 C8 H6 N4 O2 InChI=1S/C8H6N4O2/c13-8(1
    4)5-1-2-9-6(3-5)7-4-10-12
    -11-7/h1-4H,(H,13,14)(H,1
    0,11,12);
    XGBRXPYFGYDEMS-UHFFFAOYSA-N    		 O=C(O)c2ccnc(c1nnnc1)c2; c1cnc(cc1C(=O)O
    )c2cn[nH]n2; OC(=O)c1ccnc(c1)c2cn[nH]n2    		 2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid
    27199 LEM 0 C7 H15 N O InChI=1S/C7H15NO/c1-5(2)4
    -7(8)6(3)9/h5,7H,4,8H2,1-
    3H3/t7-/m0/s1;
    RVCJZAGFTBLSSU-ZETCQYMHSA-N    		 CC(C)C[CH](N)C(C)=O; CC(C)CC(C(=O)C)N; O
    =C(C)C(N)CC(C)C; CC(C)C[C@@H](C(=O)C)N;
    CC(C)C[C@H](N)C(C)=O    		 (3S)-3-amino-5-methylhexan-2-one;
    Deoxy-methyl-leucine
    27200 LEN
    CHEMBL42003
    ZINC000004658584    		 2 C5 H13 N InChI=1S/C5H13N/c1-5(2)3-
    4-6/h5H,3-4,6H2,1-2H3;
    BMFVGAAISNGQNM-UHFFFAOYSA-N    		 CC(C)CCN; NCCC(C)C 3-METHYLBUTAN-1-AMINE
    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).

    • yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218