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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    26601 KXC 0 C13 H18 N4 InChI=1S/C13H18N4/c1-17(2
    )8-7-14-10-11-3-4-12-13(9
    -11)16-6-5-15-12/h3-6,9,1
    4H,7-8,10H2,1-2H3;
    OZUJBFNDMZPDCX-UHFFFAOYSA-N    		 CN(C)CCNCc1ccc2nccnc2c1; CN(C)CCNCc1cc2n
    ccnc2cc1; CN(C)CCNCc1ccc2c(c1)nccn2    		 6-methylquinoxaline
    26602 KXD
    CHEMBL5172826    		 2 C38 H37 N9 O14 P2 InChI=1S/C38H37N9O14P2/c3
    9-32-26-22(20-10-8-18(9-1
    1-20)13-55-23-7-3-5-19-4-
    1-2-6-21(19)23)12-46(33(2
    6)42-16-41-32)36-29(49)30
    -25(59-36)15-57-63(53,54)
    61-31-28(48)24(14-56-62(5
    1,52)60-30)58-37(31)47-17
    -43-27-34(47)44-38(40)45-
    35(27)50/h1-12,16-17,24-2
    5,28-31,36-37,48-49H,13-1
    5H2,(H,51,52)(H,53,54)(H2
    ,39,41,42)(H3,40,44,45,50
    )/t24-,25-,28-,29-,30-,31
    -,36-,37-/m1/s1;
    DBFLURMMWIAUJW-DANBCEJISA-N    		 c1ccc2c(c1)cccc2OCc3ccc(cc3)c4cn(c5c4c(n
    cn5)N)[C@H]6[C@@H]([C@H]7[C@H](O6)COP(=O
    )(O[C@@H]8[C@@H]([C@@H](COP(=O)(O7)O)O[C
    @H]8n9cnc1c9NC(=NC1=O)N)O)O)O; NC1=NC(=O
    )c2ncn([C@@H]3O[C@@H]4CO[P](O)(=O)O[C@H]
    5[C@@H](O)[C@@H](O[C@@H]5CO[P](O)(=O)O[C
    @@H]3[C@@H]4O)n6cc(c7ccc(COc8cccc9ccccc8
    9)cc7)c%10c(N)ncnc6%10)c2N1; c1ccc2c(c1)
    cccc2OCc3ccc(cc3)c4cn(c5c4c(ncn5)N)C6C(C
    7C(O6)COP(=O)(OC8C(C(COP(=O)(O7)O)OC8n9c
    nc1c9NC(=NC1=O)N)O)O)O; NC1=NC(=O)c2ncn(
    [CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH]
    (O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7c
    cc(COc8cccc9ccccc89)cc7)c%10c(N)ncnc6%10
    )c2N1    		 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one
    26603 KXE
    CHEMBL5082276    		 1 C20 H17 Cl2 N3 O3 InChI=1S/C20H17Cl2N3O3/c2
    1-16-7-6-14(10-17(16)22)1
    9-15(12-25(24-19)9-8-18(2
    6)27)20(28)23-11-13-4-2-1
    -3-5-13/h1-7,10,12H,8-9,1
    1H2,(H,23,28)(H,26,27);
    CUCOXONJQDYURW-UHFFFAOYSA-N    		 OC(=O)CCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(
    Cl)c(Cl)c3; c1ccc(cc1)CNC(=O)c2cn(nc2c3c
    cc(c(c3)Cl)Cl)CCC(=O)O    		 3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid
    26604 KXF 1 C14 H14 N2 O2 InChI=1S/C14H14N2O2/c1-10
    -5-6-15-9-13(10)16-14(18)
    8-11-3-2-4-12(17)7-11/h2-
    7,9,17H,8H2,1H3,(H,16,18);
    JOMCPDPKDFHNEK-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cccc(c2)O; O=C(Nc1cncc
    c1C)Cc1cccc(O)c1; Cc1ccncc1NC(=O)Cc2cccc
    (O)c2    		 2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide
    26605 KXG 2 C15 H23 N5 O13 P2 S InChI=1S/C15H23N5O13P2S/c
    16-12-7-13(18-3-17-12)20(
    4-19-7)14-10(23)8(21)5(31
    -14)1-29-34(25,26)33-35(2
    7,28)30-2-6-9(22)11(24)15
    (36)32-6/h3-6,8-11,14-15,
    21-24,36H,1-2H2,(H,25,26)
    (H,27,28)(H2,16,17,18)/t5
    -,6-,8-,9-,10-,11-,14-,15
    -/m1/s1;
    AIFODOLMLYAQQN-KEOHHSTQSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COP(=O)(O)OP(=O)(O)OCC4[C@H]([C@H
    ]([C@H](O4)S)O)O)O)O)N; c1nc(c2c(n1)n(cn
    2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(
    C(O4)S)O)O)O)O)N; Nc1ncnc2n(cnc12)[C@@H]
    3O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]4O
    [C@H](S)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3
    O; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=
    O)O[P](O)(=O)OC[CH]4O[CH](S)[CH](O)[CH]4
    O)[CH](O)[CH]3O; C2(C(C(C(COP(=O)(O)OP(=
    O)(O)OCC1C(C(C(O1)S)O)O)O2)O)O)n4c3c(c(n
    cn3)N)nc4    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate
    26606 KXH
    CHEMBL5090029    		 1 C16 H19 Cl2 N3 O2 InChI=1S/C16H19Cl2N3O2/c1
    -2-23-16(22)12-10-21(8-4-
    3-7-19)20-15(12)11-5-6-13
    (17)14(18)9-11/h5-6,9-10H
    ,2-4,7-8,19H2,1H3;
    XOCDXRVHDVXMSJ-UHFFFAOYSA-N    		 CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN;
    CCOC(=O)c1cn(CCCCN)nc1c2ccc(Cl)c(Cl)c2    		 ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate
    26607 KXJ 2 C31 H53 N3 O4 S InChI=1S/C31H53N3O4S/c1-2
    -3-4-5-6-7-8-9-10-11-15-2
    1-30(39)32-23-17-16-20-28
    (34-29(36)22-25-38-26-24-
    35)31(37)33-27-18-13-12-1
    4-19-27/h12-14,18-19,28,3
    5H,2-11,15-17,20-26H2,1H3
    ,(H,32,39)(H,33,37)(H,34,
    36)/t28-/m0/s1;
    IGGXAEJVAQDTLQ-NDEPHWFRSA-N    		 CCCCCCCCCCCCCC(=S)NCCCC[C@@H](C(=O)Nc1cc
    ccc1)NC(=O)CCOCCO; CCCCCCCCCCCCCC(=S)NCC
    CC[CH](NC(=O)CCOCCO)C(=O)Nc1ccccc1; C(Nc
    1ccccc1)(=O)C(CCCCNC(CCCCCCCCCCCCC)=S)NC
    (=O)CCOCCO; CCCCCCCCCCCCCC(=S)NCCCCC(C(=
    O)Nc1ccccc1)NC(=O)CCOCCO; CCCCCCCCCCCCCC
    (=S)NCCCC[C@H](NC(=O)CCOCCO)C(=O)Nc1cccc
    c1    		 N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide
    26608 KXK
    CHEMBL4778822    		 1 C24 H31 N3 O5 S InChI=1S/C24H31N3O5S/c1-1
    6-22-18(9-5-6-10-20(22)28
    )23(25-16)24(29)26-19-15-
    17(11-12-21(19)32-2)33(30
    ,31)27-13-7-3-4-8-14-27/h
    11-12,15,25H,3-10,13-14H2
    ,1-2H3,(H,26,29);
    DDRHNLQKGDBMGK-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc2
    3)[S](=O)(=O)N4CCCCCC4; Cc1c2c(c([nH]1)C
    (=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCCC4)CCCC
    C2=O    		 ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
    26609 KXL 4 C22 H28 N4 O4 InChI=1S/C22H28N4O4/c1-26
    (2)22(30)18(14-16-8-4-3-5
    -9-16)25-21(29)19(27)15-2
    0(28)24-13-11-17-10-6-7-1
    2-23-17/h3-10,12,18-19,27
    H,11,13-15H2,1-2H3,(H,24,
    28)(H,25,29)/t18-,19-/m0/
    s1;
    WUIQDGGROZLMJW-OALUTQOASA-N    		 CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)[CH](O)CC
    (=O)NCCc2ccccn2; CN(C)C(=O)[C@H](Cc1cccc
    c1)NC(=O)[C@H](CC(=O)NCCc2ccccn2)O; CN(C
    )C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)CC(
    =O)NCCc2ccccn2; CN(C)C(=O)C(Cc1ccccc1)NC
    (=O)C(CC(=O)NCCc2ccccn2)O    		 (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide
    26610 KXM 1 C35 H43 N9 O15 P2 InChI=1S/C35H43N9O15P2/c1
    -17-10-20-21(11-18(17)2)4
    3(32-26(33(50)41-35(51)40
    -32)42(20)9-8-19-6-4-3-5-
    7-19)12-22(45)27(47)23(46
    )13-56-60(52,53)59-61(54,
    55)57-14-24-28(48)29(49)3
    4(58-24)44-16-39-25-30(36
    )37-15-38-31(25)44/h3-7,1
    0-11,15-16,22-24,26-29,34
    ,45-49H,8-9,12-14H2,1-2H3
    ,(H,52,53)(H,54,55)(H2,36
    ,37,38)(H,41,50,51)/t22-,
    23-,24-,26-,27-,28-,29-,3
    4-/m1/s1;
    IGCDLEVMDDLVJB-TUIVOLRASA-N    		 Cc1cc2N(CCc3ccccc3)[C@H]4C(=O)NC(=O)N=C4
    N(C[C@@H](O)[C@@H](O)[C@H](O)CO[P](O)(=O
    )O[P](O)(=O)OC[C@H]5O[C@H]([C@H](O)[C@@H
    ]5O)n6cnc7c(N)ncnc67)c2cc1C; Cc1cc2c(cc1
    C)N(C3=NC(=O)NC(=O)C3N2CCc4ccccc4)CC(C(C
    (COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c
    6ncnc7N)O)O)O)O)O; c14cc(c(cc1N(CCc2cccc
    c2)C3C(NC(N=C3N4CC(O)C(C(O)COP(O)(=O)OP(
    =O)(O)OCC7C(C(C(n6cnc5c(ncnc56)N)O7)O)O)
    O)=O)=O)C)C; Cc1cc2c(cc1C)N(C3=NC(=O)NC(
    =O)[C@@H]3N2CCc4ccccc4)C[C@H]([C@H]([C@@
    H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@
    H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O; C
    c1cc2N(CCc3ccccc3)[CH]4C(=O)NC(=O)N=C4N(
    C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O
    )(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(
    N)ncnc67)c2cc1C    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R)-5-[(4aR)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
    26611 KXN
    CHEMBL311498
    DB14086
    ZINC000000119983    		 7 C15 H14 O6 InChI=1S/C15H14O6/c16-8-4
    -11(18)9-6-13(20)15(21-14
    (9)5-8)7-1-2-10(17)12(19)
    3-7/h1-5,13,15-20H,6H2/t1
    3-,15+/m0/s1;
    PFTAWBLQPZVEMU-DZGCQCFKSA-N    		 c1cc(c(cc1C2C(Cc3c(cc(cc3O2)O)O)O)O)O; c
    1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)
    O)O)O; Oc1ccc(cc1O)C3Oc2cc(O)cc(O)c2CC3O
    ; O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)
    c(O)c3; O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3ccc
    (O)c(O)c3    		 (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
    26612 KXO
    CHEMBL1233897
    ZINC000058649826    		 2 C19 H19 F4 N3 O InChI=1S/C19H19F4N3O/c20-
    15-3-1-2-13(10-15)17-5-4-
    14(11-24-17)18(27)25-16-6
    -8-26(9-7-16)12-19(21,22)
    23/h1-5,10-11,16H,6-9,12H
    2,(H,25,27);
    LPUCBGGXXIUBAZ-UHFFFAOYSA-N    		 c1cc(cc(c1)F)c2ccc(cn2)C(=O)NC3CCN(CC3)C
    C(F)(F)F; Fc1cccc(c1)c2ccc(cn2)C(=O)NC3C
    CN(CC3)CC(F)(F)F    		 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
    26613 KXP 8 C47 H85 O19 P3 InChI=1S/C47H85O19P3/c1-3
    -5-7-9-11-13-15-17-19-20-
    22-24-26-28-30-32-34-36-4
    1(49)63-39(37-61-40(48)35
    -33-31-29-27-25-23-21-18-
    16-14-12-10-8-6-4-2)38-62
    -69(59,60)66-45-42(50)43(
    51)46(64-67(53,54)55)47(4
    4(45)52)65-68(56,57)58/h1
    1,13,17,19,22,24,28,30,39
    ,42-47,50-52H,3-10,12,14-
    16,18,20-21,23,25-27,29,3
    1-38H2,1-2H3,(H,59,60)(H2
    ,53,54,55)(H2,56,57,58)/t
    39-,42+,43-,44-,45+,46+,4
    7+/m0/s1;
    CNWINRVXAYPOMW-AUBJPSKUSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O
    )O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[
    CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=C
    CC=CCC=CCCCCC; CCCCCCCCCCCCCCCCCC(=O)OC[
    C@@H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](
    O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O
    )[C@H]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;
    CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C
    (C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(
    =O)CCCC=CCC=CCC=CCC=CCCCCC; C(OC(CCCCCCC
    CCCCCCCCCC)=O)C(COP(=O)(O)OC1C(O)C(C(C(C
    1O)OP(O)(O)=O)OP(O)(O)=O)O)OC(=O)CCC\C=C
    \C\C=C\C\C=C\C\C=C\CCCCC; CCCCCCCCCCCCCC
    CCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H
    ]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O
    )OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=C
    CCCCC    		 (2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate
    26614 KXQ
    CHEMBL2018159
    ZINC000000158095    		 1 C9 H7 N O2 InChI=1S/C9H7NO2/c11-9(12
    )7-3-1-2-6-4-5-10-8(6)7/h
    1-5,10H,(H,11,12);
    IPDOBVFESNNYEE-UHFFFAOYSA-N    		 OC(=O)c1cccc2cc[nH]c12; c1cc2cc[nH]c2c(c
    1)C(=O)O    		 1~{H}-indole-7-carboxylic acid
    26615 KXR 1 C15 H13 F N4 O3 InChI=1S/C15H13FN4O3/c16-
    10-2-11(4-12(3-10)23-15-5
    -14(22)20-15)19-13(21)1-9
    -6-17-8-18-7-9/h2-4,6-8,1
    5H,1,5H2,(H,19,21)(H,20,2
    2)/t15-/m0/s1;
    SFHHIQYDZORTHQ-HNNXBMFYSA-N    		 Fc1cc(NC(=O)Cc2cncnc2)cc(O[CH]3CC(=O)N3)
    c1; Fc1cc(cc(OC2CC(=O)N2)c1)NC(=O)Cc1cnc
    nc1; c1c(cc(cc1OC2CC(=O)N2)F)NC(=O)Cc3cn
    cnc3; c1c(cc(cc1O[C@H]2CC(=O)N2)F)NC(=O)
    Cc3cncnc3; Fc1cc(NC(=O)Cc2cncnc2)cc(O[C@
    H]3CC(=O)N3)c1    		 N-(3-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
    26616 KXS
    CHEMBL2441929
    ZINC000034499085    		 4 C18 H27 N O2 InChI=1S/C18H27NO2/c1-12(
    2)16-10-5-13(3)11-17(16)1
    8(20)19-14-6-8-15(21-4)9-
    7-14/h6-9,12-13,16-17H,5,
    10-11H2,1-4H3,(H,19,20)/t
    13-,16+,17-/m1/s1;
    HNSGVPAAXJJOPQ-XOKHGSTOSA-N    		 COc1ccc(NC(=O)[CH]2C[CH](C)CC[CH]2C(C)C)
    cc1; c1c(ccc(c1)OC)NC(C2C(CCC(C)C2)C(C)C
    )=O; COc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@
    H]2C(C)C)cc1; C[C@@H]1CC[C@H]([C@@H](C1)
    C(=O)Nc2ccc(cc2)OC)C(C)C; CC1CCC(C(C1)C(
    =O)Nc2ccc(cc2)OC)C(C)C    		 (1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide
    26617 KXT
    CHEMBL4456676    		 1 C19 H14 N2 InChI=1S/C19H14N2/c1-3-7-
    15(8-4-1)17-11-12-19-20-1
    8(14-21(19)13-17)16-9-5-2
    -6-10-16/h1-14H;
    LETMYYZWCFHZLY-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc3nc(cn3c2)c4ccccc4 2,6-diphenylimidazo[1,2-a]pyridine
    26618 KXU
    ZINC000263620428    		 4 C18 H19 N5 O2 S InChI=1S/C18H19N5O2S/c1-1
    1-7-14(4-5-19-11)9-20-17(
    24)16-8-15(25-23-16)10-26
    -18-21-12(2)6-13(3)22-18/
    h4-8H,9-10H2,1-3H3,(H,20,
    24);
    FPLTYHWZNYWMJS-UHFFFAOYSA-N    		 Cc1cc(nc(n1)SCc2cc(no2)C(=O)NCc3ccnc(c3)
    C)C; O=C(c1noc(c1)CSc2nc(cc(n2)C)C)NCc3c
    cnc(c3)C; Cc1cc(CNC(=O)c2cc(CSc3nc(C)cc(
    C)n3)on2)ccn1    		 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide
    26619 KXV 0 C15 H17 N3 O5 S InChI=1S/C15H17N3O5S/c1-2
    3-12-5-8(2-3-11(12)19)4-1
    0-15(22)18(6-13(20)21)14(
    17-10)9(16)7-24/h2-5,9,19
    ,24H,6-7,16H2,1H3,(H,20,2
    1)/b10-4-/t9-/m0/s1;
    FYVOFWNKVHJCRZ-SGRPLGENSA-N    		 COc1cc(ccc1O)C=C2C(=O)N(C(=N2)C(CS)N)CC(
    =O)O; COc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[
    C@H](CS)N)CC(=O)O; NC(CS)C=1N(CC(=O)O)C(
    =O)C(N=1)=[C@H]c2ccc(c(c2)OC)O; COc1cc(c
    cc1O)C=C2N=C([CH](N)CS)N(CC(O)=O)C2=O; C
    Oc1cc(ccc1O)\C=C2/N=C([C@@H](N)CS)N(CC(O
    )=O)C2=O    		 {(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ac etic acid;
    CHROMOPHORE (CYS-TYR-GLY)-3-OMeY
    26620 KXW 8 C22 H31 N9 O5 InChI=1S/C22H31N9O5/c23-1
    3(22(34)35)5-9-30(8-3-7-2
    6-15-4-1-2-6-25-15)10-14-
    17(32)18(33)21(36-14)31-1
    2-29-16-19(24)27-11-28-20
    (16)31/h1-2,4,6,11-14,17-
    18,21,32-33H,3,5,7-10,23H
    2,(H,25,26)(H,34,35)(H2,2
    4,27,28)/t13-,14+,17+,18+
    ,21+/m0/s1;
    BVWHRNNLXISVCS-YWYKXHLWSA-N    		 N[CH](CCN(CCCNc1ccccn1)C[CH]2O[CH]([CH](
    O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O; c1ccnc
    (c1)NCCCN(CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc
    4c3ncnc4N)O)O; c1ccnc(c1)NCCCN(CC[C@@H](
    C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n
    3cnc4c3ncnc4N)O)O; N[C@@H](CCN(CCCNc1ccc
    cn1)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc
    4c(N)ncnc34)C(O)=O    		 (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid
    26621 KXX
    CHEMBL8597
    ZINC000169289416    		 6 C43 H69 N O12 InChI=1S/C43H69NO12/c1-10
    -30-18-24(2)17-25(3)19-36
    (53-8)39-37(54-9)21-27(5)
    43(51,56-39)40(48)41(49)4
    4-16-12-11-13-31(44)42(50
    )55-38(28(6)33(46)23-34(3
    0)47)26(4)20-29-14-15-32(
    45)35(22-29)52-7/h18,20,2
    5,27-33,35-39,45-46,51H,1
    0-17,19,21-23H2,1-9H3/b24
    -18+,26-20+/t25-,27+,28+,
    29-,30+,31-,32+,33-,35+,3
    6-,37-,38+,39+,43+/m0/s1;
    ZDQSOHOQTUFQEM-NURRSENYSA-N    		 CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H
    ]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)
    N3CCCC[C@H]3C(=O)O[C@@H]([C@H](C)[C@@H](
    O)CC1=O)\C(C)=C\[C@@H]4CC[C@@H](O)[C@@H]
    (C4)OC; CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([
    C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N
    3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1
    =O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC
    )O)/C)O)C)OC)OC)C)\C; OC1CCC(CC1OC)\C=C(
    /C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(C(C
    C(C)CC(C)=CC(CC)C(=O)CC(O)C1C)OC)C(CC2C)
    OC; CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O
    )N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC
    (C(C4)OC)O)C)O)C)OC)OC)C)C; CC[CH]1C=C(C
    )C[CH](C)C[CH](OC)[CH]2O[C](O)([CH](C)C[
    CH]2OC)C(=O)C(=O)N3CCCC[CH]3C(=O)O[CH]([
    CH](C)[CH](O)CC1=O)C(C)=C[CH]4CC[CH](O)[
    CH](C4)OC    		 (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone
    26622 KXY 1 C37 H37 F2 N7 O2 S InChI=1S/C37H37F2N7O2S/c1
    -23-27(7-6-24-2-4-25(5-3-
    24)19-44-15-9-26(21-47)10
    -16-44)18-28(34(38)39)29-
    20-46(43-31(23)29)33(35(4
    8)42-36-40-14-17-49-36)32
    -30-8-11-37(12-13-37)45(3
    0)22-41-32/h2-5,14,17-18,
    20,22,26,33-34,47H,8-13,1
    5-16,19,21H2,1H3,(H,40,42
    ,48)/t33-/m1/s1;
    XGCQKFFIRIFVIZ-MGBGTMOVSA-N    		 Cc1c(cc(c2c1nn(c2)C(c3c4n(cn3)C5(CC4)CC5
    )C(=O)Nc6nccs6)C(F)F)C#Cc7ccc(cc7)CN8CCC
    (CC8)CO; Cc1c(cc(c2c1nn(c2)[C@H](c3c4n(c
    n3)C5(CC4)CC5)C(=O)Nc6nccs6)C(F)F)C#Cc7c
    cc(cc7)CN8CCC(CC8)CO; Cc1c(cc(C(F)F)c2cn
    (nc12)[CH](C(=O)Nc3sccn3)c4ncn5c4CCC56CC
    6)C#Cc7ccc(CN8CCC(CO)CC8)cc7; Cc1c(cc(C(
    F)F)c2cn(nc12)[C@@H](C(=O)Nc3sccn3)c4ncn
    5c4CCC56CC6)C#Cc7ccc(CN8CCC(CO)CC8)cc7    		 (2R)-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)ethanamide
    26623 KXZ
    CHEMBL4104331    		 1 C19 H21 Cl N2 O3 InChI=1S/C19H21ClN2O3/c20
    -17-11-14(7-8-16(17)15-5-
    2-1-3-6-15)13-21-9-4-10-2
    2-18(23)12-19(24)25/h1-3,
    5-8,11,21H,4,9-10,12-13H2
    ,(H,22,23)(H,24,25);
    LNPJVQJSMPETNE-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)O
    ; OC(=O)CC(=O)NCCCNCc1ccc(c(Cl)c1)c2cccc
    c2    		 3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid
    26624 KY0 1 C16 H15 Cl N2 O InChI=1S/C16H15ClN2O/c1-1
    1-5-8-18-10-14(11)19-15(2
    0)16(6-7-16)12-3-2-4-13(1
    7)9-12/h2-5,8-10H,6-7H2,1
    H3,(H,19,20);
    AIYYCYBWGZIFKY-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)C2(CC2)c3cccc(c3)Cl; Cc1c
    cncc1NC(=O)C2(CC2)c3cccc(Cl)c3; O=C(Nc1c
    nccc1C)C1(CC1)c1cccc(Cl)c1    		 1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide
    26625 KY1
    CHEMBL1233898
    DB08060
    ZINC000013356580    		 8 C10 H11 N O3 InChI=1S/C10H11NO3/c11-8-
    4-2-1-3-7(8)9(12)5-6-10(1
    3)14/h1-4H,5-6,11H2,(H,13
    ,14);
    BIASMBPERGWEBX-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)CCC(=O)O)N; Nc1ccccc1C(=
    O)CCC(O)=O; O=C(c1ccccc1N)CCC(=O)O    		 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID
    26626 KY2 4 C17 H30 N10 O3 InChI=1S/C17H30N10O3/c18-
    3-1-5-26(6-2-4-22-17(20)2
    1)7-10-12(28)13(29)16(30-
    10)27-9-25-11-14(19)23-8-
    24-15(11)27/h8-10,12-13,1
    6,28-29H,1-7,18H2,(H2,19,
    23,24)(H4,20,21,22)/t10-,
    12-,13-,16-/m1/s1;
    ALBPVVFHRWZNEG-XNIJJKJLSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCN)CCC
    NC(=N)N)O)O)N; NCCCN(CCCNC(N)=N)C[C@H]1O
    [C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23;
    NCCCN(CCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH
    ]1O)n2cnc3c(N)ncnc23; [H]/N=C(\N)/NCCCN(
    CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc
    3c2ncnc3N)O)O    		 1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine
    26627 KY3 1 C13 H18 O4 S InChI=1S/C13H18O4S/c1-16-
    10-7-11(17-2)9(13(14)15)6
    -8(10)12-4-3-5-18-12/h3-5
    ,8-11H,6-7H2,1-2H3,(H,14,
    15)/t8-,9+,10+,11+/m1/s1;
    RFIIEINMNPNZEZ-RCWTZXSCSA-N    		 CO[CH]1C[CH](OC)[CH](C[CH]1C(O)=O)c2sccc
    2; CO[C@H]1C[C@@H]([C@H](C[C@H]1c2cccs2)
    C(=O)O)OC; CO[C@H]1C[C@H](OC)[C@@H](C[C@
    @H]1C(O)=O)c2sccc2; COC1CC(C(CC1c2cccs2)
    C(=O)O)OC    		 (1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid
    26628 KY4 0 C14 H13 F2 N3 O4 S InChI=1S/C14H13F2N3O4S/c1
    5-11-6(1-2-9(20)12(11)16)
    3-8-14(23)19(4-10(21)22)1
    3(18-8)7(17)5-24/h1-3,7,2
    0,24H,4-5,17H2,(H,21,22)/
    b8-3-/t7-/m0/s1;
    AYDHXKGHIMQYFI-UGWYQVJNSA-N    		 c1cc(c(c(c1/C=C\2/C(=O)N(C(=N2)[C@H](CS)
    N)CC(=O)O)F)F)O; c1cc(c(c(c1C=C2C(=O)N(C
    (=N2)C(CS)N)CC(=O)O)F)F)O; N[CH](CS)C1=N
    C(=Cc2ccc(O)c(F)c2F)C(=O)N1CC(O)=O; N[C@
    @H](CS)C1=N\C(=C/c2ccc(O)c(F)c2F)C(=O)N1
    CC(O)=O; NC(CS)C1=N/C(C(N1CC(O)=O)=O)=C\
    c2c(F)c(F)c(cc2)O    		 {(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (CYS-TYR-GLY)-2,3-F
    26629 KY5 4 C21 H31 N9 O3 InChI=1S/C21H31N9O3/c22-6
    -3-9-29(10-4-8-25-15-5-1-
    2-7-24-15)11-14-17(31)18(
    32)21(33-14)30-13-28-16-1
    9(23)26-12-27-20(16)30/h1
    -2,5,7,12-14,17-18,21,31-
    32H,3-4,6,8-11,22H2,(H,24
    ,25)(H2,23,26,27)/t14-,17
    -,18-,21-/m1/s1;
    YWUJVBSQHYBLFQ-HAXDFEGKSA-N    		 NCCCN(CCCNc1ccccn1)C[C@H]2O[C@H]([C@H](O
    )[C@@H]2O)n3cnc4c(N)ncnc34; NCCCN(CCCNc1
    ccccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c
    (N)ncnc34; c1ccnc(c1)NCCCN(CCCN)CC2C(C(C
    (O2)n3cnc4c3ncnc4N)O)O; c1ccnc(c1)NCCCN(
    CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc
    4c3ncnc4N)O)O    		 (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
    26630 KY6 0 C21 H17 N3 O S InChI=1S/C21H17N3OS/c1-24
    (8-9-25)19-7-6-17-10-20(2
    6-21(17)12-19)11-18(14-23
    )16-4-2-15(13-22)3-5-16/h
    2-7,10-12,25H,8-9H2,1H3/b
    18-11+;
    WXTHEUULEXARCU-WOJGMQOQSA-N    		 CN(CCO)c1ccc2cc(sc2c1)/C=C(\C#N)/c3ccc(c
    c3)C#N; OCCN(C)c1ccc2cc(\C=C(/C#N)c3ccc(
    C#N)cc3)sc2c1; CN(CCO)c1ccc2cc(sc2c1)\C=
    C(/C#N)c3ccc(cc3)C#N; CN(CCO)c1ccc2cc(sc
    2c1)C=C(C#N)c3ccc(cc3)C#N    		 4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile
    26631 KY7 0 C14 H14 N4 O6 S InChI=1S/C14H14N4O6S/c15-
    8(6-25)13-16-9(14(22)17(1
    3)5-12(20)21)3-7-1-2-11(1
    9)10(4-7)18(23)24/h1-4,8,
    19,25H,5-6,15H2,(H,20,21)
    /b9-3-/t8-/m1/s1;
    KQMHCDZTMFZTFX-MMEMACFNSA-N    		 N[CH](CS)C1=NC(=Cc2ccc(O)c(c2)[N+]([O-])
    =O)C(=O)N1CC(O)=O; c1cc(c(cc1/C=C\2/C(=O
    )N(C(=N2)[C@@H](CS)N)CC(=O)O)[N+](=O)[O-
    ])O; N[C@H](CS)C1=N\C(=C/c2ccc(O)c(c2)[N
    +]([O-])=O)C(=O)N1CC(O)=O; NC(CS)C1=N/C(
    C(N1CC(=O)O)=O)=C\c2cc(c(cc2)O)[N+](=O)[
    O-]; c1cc(c(cc1C=C2C(=O)N(C(=N2)C(CS)N)C
    C(=O)O)[N+](=O)[O-])O    		 {(4Z)-2-[(1S)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (CYS-TYR-GLY)-3-NO2
    26632 KY8 4 C20 H30 N10 O3 InChI=1S/C20H30N10O3/c21-
    4-1-8-29(9-3-7-25-20-23-5
    -2-6-24-20)10-13-15(31)16
    (32)19(33-13)30-12-28-14-
    17(22)26-11-27-18(14)30/h
    2,5-6,11-13,15-16,19,31-3
    2H,1,3-4,7-10,21H2,(H2,22
    ,26,27)(H,23,24,25)/t13-,
    15-,16-,19-/m1/s1;
    WJNNCQSJBOESHI-NVQRDWNXSA-N    		 c1cnc(nc1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]
    ([C@@H](O2)n3cnc4c3ncnc4N)O)O; NCCCN(CCC
    Nc1ncccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cn
    c4c(N)ncnc34; NCCCN(CCCNc1ncccn1)C[C@H]2
    O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34
    ; c1cnc(nc1)NCCCN(CCCN)CC2C(C(C(O2)n3cnc
    4c3ncnc4N)O)O    		 (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
    26633 KY9 3 C35 H33 F3 N6 O3 S InChI=1S/C35H33F3N6O3S/c3
    6-35(37,38)28-17-25(8-5-2
    2-3-6-23(7-4-22)18-42-13-
    9-24(20-45)10-14-42)16-26
    -27(28)19-44(33(26)47)31(
    32(46)41-34-39-11-15-48-3
    4)30-29-2-1-12-43(29)21-4
    0-30/h3-4,6-7,11,15-17,21
    ,24,31,45H,1-2,9-10,12-14
    ,18-20H2,(H,39,41,46)/t31
    -/m1/s1;
    PPUARJAODGRSLP-WJOKGBTCSA-N    		 c1cc(ccc1CN2CCC(CC2)CO)C#Cc3cc4c(c(c3)C(
    F)(F)F)CN(C4=O)[C@H](c5c6n(cn5)CCC6)C(=O
    )Nc7nccs7; OCC1CCN(CC1)Cc2ccc(cc2)C#Cc3c
    c4C(=O)N(Cc4c(c3)C(F)(F)F)[C@@H](C(=O)Nc
    5sccn5)c6ncn7CCCc67; c1cc(ccc1CN2CCC(CC2
    )CO)C#Cc3cc4c(c(c3)C(F)(F)F)CN(C4=O)C(c5
    c6n(cn5)CCC6)C(=O)Nc7nccs7; OCC1CCN(CC1)
    Cc2ccc(cc2)C#Cc3cc4C(=O)N(Cc4c(c3)C(F)(F
    )F)[CH](C(=O)Nc5sccn5)c6ncn7CCCc67    		 (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide
    26634 KYA
    CHEMBL299155
    DB11937
    ZINC000008584773    		 7 C10 H7 N O3 InChI=1S/C10H7NO3/c12-9-5
    -8(10(13)14)11-7-4-2-1-3-
    6(7)9/h1-5H,(H,11,12)(H,1
    3,14);
    HCZHHEIFKROPDY-UHFFFAOYSA-N    		 OC(=O)c1cc(O)c2ccccc2n1; O=C(O)c1nc2cccc
    c2c(O)c1; c1ccc2c(c1)c(cc(n2)C(=O)O)O    		 4-hydroxyquinoline-2-carboxylic acid;
    Kynurenic acid
    26635 KYB 4 C19 H34 N10 O3 InChI=1S/C19H34N10O3/c20-
    5-4-8-28(7-3-1-2-6-24-19(
    22)23)9-12-14(30)15(31)18
    (32-12)29-11-27-13-16(21)
    25-10-26-17(13)29/h10-12,
    14-15,18,30-31H,1-9,20H2,
    (H2,21,25,26)(H4,22,23,24
    )/t12-,14-,15-,18-/m1/s1;
    DDMCCWMSVOANNB-SCFUHWHPSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCCCNC(
    =N)N)CCCN)O)O)N; NCCCN(CCCCCNC(N)=N)C[C@
    H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncn
    c23; [H]/N=C(/N)\NCCCCCN(CCCN)C[C@@H]1[C
    @H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O;
    NCCCN(CCCCCNC(N)=N)C[CH]1O[CH]([CH](O)[C
    H]1O)n2cnc3c(N)ncnc23    		 1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine
    26636 KYC 1 C16 H18 Cl N3 O InChI=1S/C16H18ClN3O/c1-1
    1-7-8-18-10-14(11)19-16(2
    1)15(20(2)3)12-5-4-6-13(1
    7)9-12/h4-10,15H,1-3H3,(H
    ,19,21)/t15-/m0/s1;
    XRWOUNDNLXZKFZ-HNNXBMFYSA-N    		 Cc1ccncc1NC(=O)[C@H](c2cccc(c2)Cl)N(C)C;
    Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)N(C)C; O=
    C(Nc1cnccc1C)C(c1cccc(Cl)c1)N(C)C; CN(C)
    [CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2; CN(C)
    [C@H](C(=O)Nc1cnccc1C)c2cccc(Cl)c2    		 (2S)-2-(3-chlorophenyl)-2-(dimethylamino)-N-(4-methylpyridin-3-yl)acetamide
    26637 KYD
    ZINC000000158520    		 4 C6 H8 N2 O2 InChI=1S/C6H8N2O2/c1-3-5(
    6(9)10)4(2)8-7-3/h1-2H3,(
    H,7,8)(H,9,10);
    IOOWDXMXZBYKLR-UHFFFAOYSA-N    		 Cc1c(c(n[nH]1)C)C(=O)O; Cc1[nH]nc(C)c1C(
    O)=O    		 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
    26638 KYE
    CHEMBL1199038
    ZINC000049070963    		 4 C20 H34 N10 O5 InChI=1S/C20H34N10O5/c21-
    11(19(33)34)4-7-29(6-3-1-
    2-5-25-20(23)24)8-12-14(3
    1)15(32)18(35-12)30-10-28
    -13-16(22)26-9-27-17(13)3
    0/h9-12,14-15,18,31-32H,1
    -8,21H2,(H,33,34)(H2,22,2
    6,27)(H4,23,24,25)/t11-,1
    2+,14+,15+,18+/m0/s1;
    GXIQEXLEUJCLEV-URQYDQELSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCCCNC(
    =N)N)CCC(C(=O)O)N)O)O)N; N[C@@H](CCN(CCC
    CCNC(N)=N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O
    )n2cnc3c(N)ncnc23)C(O)=O; [H]/N=C(/N)\NC
    CCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C
    @H]([C@@H](O1)n2cnc3c2ncnc3N)O)O; N[CH](
    CCN(CCCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]
    1O)n2cnc3c(N)ncnc23)C(O)=O    		 (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid
    26639 KYF
    CHEMBL4297611
    DB14966
    ZINC000202143443    		 2 C20 H24 F N3 O2 S InChI=1S/C20H24FN3O2S/c1-
    20(2,17-12-27-18(22-17)14
    -3-5-15(21)6-4-14)23-19(2
    5)26-16-11-24-9-7-13(16)8
    -10-24/h3-6,12-13,16H,7-1
    1H2,1-2H3,(H,23,25)/t16-/
    m1/s1;
    YFHRCLAKZBDRHN-MRXNPFEDSA-N    		 CC(C)(c1csc(n1)c2ccc(cc2)F)NC(=O)OC3CN4C
    CC3CC4; CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c
    3csc(n3)c4ccc(F)cc4; CC(C)(c1csc(n1)c2cc
    c(cc2)F)NC(=O)O[C@@H]3CN4CCC3CC4; O=C(OC
    1CN2CCC1CC2)NC(C)(C)c1csc(n1)c1ccc(F)cc1
    ; CC(C)(NC(=O)O[CH]1CN2CCC1CC2)c3csc(n3)
    c4ccc(F)cc4    		 (1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate
    26640 KYG
    ZINC000031394708    		 1 C9 H21 O17 P3 InChI=1S/C9H21O17P3/c10-1
    -3(11)2-23-29(21,22)26-7-
    4(12)5(13)8(24-27(15,16)1
    7)9(6(7)14)25-28(18,19)20
    /h3-14H,1-2H2,(H,21,22)(H
    2,15,16,17)(H2,18,19,20)/
    t3-,4+,5-,6-,7+,8+,9+/m0/
    s1;
    VQSJAWPFQCXIOB-BYMOGYCESA-N    		 C(C(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)
    OP(=O)(O)O)O)O)O)O; OC[C@H](O)CO[P](O)(=
    O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)
    (O)=O)[C@H](O[P](O)(O)=O)[C@H]1O; C([C@@
    H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]
    ([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)
    O)O)O; OP(OCC(CO)O)(=O)OC1C(O)C(C(C(C1O)
    O)OP(O)(O)=O)OP(=O)(O)O; OC[CH](O)CO[P](
    O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O
    )=O)[CH](O[P](O)(O)=O)[CH]1O    		 (1R,2R,3S,4R,5R,6S)-4-{[(S)-[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-3,5,6-trihydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)]
    26641 KYH 4 C18 H32 N10 O3 InChI=1S/C18H32N10O3/c19-
    4-3-7-27(6-2-1-5-23-18(21
    )22)8-11-13(29)14(30)17(3
    1-11)28-10-26-12-15(20)24
    -9-25-16(12)28/h9-11,13-1
    4,17,29-30H,1-8,19H2,(H2,
    20,24,25)(H4,21,22,23)/t1
    1-,13-,14-,17-/m1/s1;
    BKVNLNYAEXQZIR-LSCFUAHRSA-N    		 [H]/N=C(\N)/NCCCCN(CCCN)C[C@@H]1[C@H]([C
    @H]([C@@H](O1)n2cnc3c2ncnc3N)O)O; NCCCN(
    CCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2
    cnc3c(N)ncnc23; c1nc(c2c(n1)n(cn2)C3C(C(
    C(O3)CN(CCCCNC(=N)N)CCCN)O)O)N; NCCCN(CC
    CCNC(N)=N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O
    )n2cnc3c(N)ncnc23    		 1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine
    26642 KYI
    ZINC000067743651    		 2 C16 H12 N2 O2 InChI=1S/C16H12N2O2/c19-1
    5-14(10-17-16(20)18-15)13
    -9-5-4-8-12(13)11-6-2-1-3
    -7-11/h1-10H,(H2,17,18,19
    ,20);
    KRZFUPKUAGIREV-UHFFFAOYSA-N    		 O=C1NC=C(C(=O)N1)c2ccccc2c3ccccc3; c1ccc
    (cc1)c2ccccc2C3=CNC(=O)NC3=O    		 5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione
    26643 KYJ
    CHEMBL4515830    		 1 C26 H20 N4 O4 InChI=1S/C26H20N4O4/c27-2
    5(32)18-5-3-4-17-23(31)21
    (34-24(17)18)14-15-8-10-1
    6(11-9-15)26(33)28-13-12-
    22-29-19-6-1-2-7-20(19)30
    -22/h1-11,14H,12-13H2,(H2
    ,27,32)(H,28,33)(H,29,30)
    /b21-14-;
    UNPLREWLHBUEMG-STZFKDTASA-N    		 NC(=O)c1cccc2C(=O)C(Oc12)=Cc3ccc(cc3)C(=
    O)NCCc4[nH]c5ccccc5n4; c1ccc2c(c1)[nH]c(
    n2)CCNC(=O)c3ccc(cc3)C=C4C(=O)c5cccc(c5O
    4)C(=O)N; c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3
    ccc(cc3)/C=C\4/C(=O)c5cccc(c5O4)C(=O)N;
    NC(=O)c1cccc2C(=O)/C(Oc12)=C/c3ccc(cc3)C
    (=O)NCCc4[nH]c5ccccc5n4; NC(=O)c1cccc2c1
    OC(C2=O)=[C@H]c5ccc(C(=O)NCCc4nc3c(cccc3
    )n4)cc5    		 (2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
    26644 KYK
    CHEMBL4755577    		 1 C18 H23 N5 O9 P2 InChI=1S/C18H23N5O9P2/c24
    -14-12(7-31-34(29,30)10-3
    3(26,27)28)32-18(15(14)25
    )23-9-22-13-16(20-8-21-17
    (13)23)19-6-11-4-2-1-3-5-
    11/h1-5,8-9,12,14-15,18,2
    4-25H,6-7,10H2,(H,29,30)(
    H,19,20,21)(H2,26,27,28)/
    t12-,14-,15-,18-/m1/s1;
    DMBYYIJBPDWQFF-SCFUHWHPSA-N    		 c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H
    ]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O
    )O; O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P]
    (O)(=O)C[P](O)(O)=O)n2cnc3c(NCc4ccccc4)n
    cnc23; c1ccc(cc1)CNc2c3c(ncn2)n(cn3)C4C(
    C(C(O4)COP(=O)(CP(=O)(O)O)O)O)O; O[CH]1[
    CH](O)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=
    O)n2cnc3c(NCc4ccccc4)ncnc23    		 N6-benzyl-(alpha,beta)-methylene-ADP
    26645 KYL
    CHEMBL501861
    ZINC000042805235    		 3 C39 H46 N2 O6 InChI=1S/C39H46N2O6/c1-40
    -16-14-27-21-35(43-4)37(4
    5-6)23-30(27)32(40)18-25-
    8-11-29(12-9-25)47-39-20-
    26(10-13-34(39)42-3)19-33
    -31-24-38(46-7)36(44-5)22
    -28(31)15-17-41(33)2/h8-1
    3,20-24,32-33H,14-19H2,1-
    7H3/t32-,33-/m1/s1;
    UHYCXSGUNAWVBW-CZNDPXEESA-N    		 CN1CCc2cc(c(cc2[C@H]1Cc3ccc(cc3)Oc4cc(cc
    c4OC)C[C@@H]5c6cc(c(cc6CCN5C)OC)OC)OC)OC
    ; CN1CCc2cc(c(cc2C1Cc3ccc(cc3)Oc4cc(ccc4
    OC)CC5c6cc(c(cc6CCN5C)OC)OC)OC)OC; COc1c
    cc(C[C@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1Oc4
    ccc(C[C@H]5N(C)CCc6cc(OC)c(OC)cc56)cc4;
    COc1ccc(C[CH]2N(C)CCc3cc(OC)c(OC)cc23)cc
    1Oc4ccc(C[CH]5N(C)CCc6cc(OC)c(OC)cc56)cc
    4    		 (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline
    26646 KYM
    CHEMBL4575227    		 1 C25 H21 N5 O4 InChI=1S/C25H21N5O4/c26-2
    3(32)18-3-1-2-17-21(31)19
    (34-22(17)18)12-14-4-6-16
    (7-5-14)25(33)29-10-11-30
    -20(13-29)27-28-24(30)15-
    8-9-15/h1-7,12,15H,8-11,1
    3H2,(H2,26,32)/b19-12-;
    JJCAYWVTBMMQMQ-UNOMPAQXSA-N    		 NC(=O)c1cccc2C(=O)C(Oc12)=Cc3ccc(cc3)C(=
    O)N4CCn5c(C4)nnc5C6CC6; c1cc2c(c(c1)C(=O
    )N)O/C(=C\c3ccc(cc3)C(=O)N4CCn5c(nnc5C6C
    C6)C4)/C2=O; NC(=O)c1cccc2C(=O)/C(Oc12)=
    C/c3ccc(cc3)C(=O)N4CCn5c(C4)nnc5C6CC6; O
    =C(c1ccc(cc1)\C=C2/Oc3c(cccc3C2=O)C(=O)N
    )N6Cc5nnc(C4CC4)n5CC6; c1cc2c(c(c1)C(=O)
    N)OC(=Cc3ccc(cc3)C(=O)N4CCn5c(nnc5C6CC6)
    C4)C2=O    		 (2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
    26647 KYN
    CHEMBL498416
    DB02070
    ZINC000000895186    		 35 C10 H12 N2 O3 InChI=1S/C10H12N2O3/c11-7
    -4-2-1-3-6(7)9(13)5-8(12)
    10(14)15/h1-4,8H,5,11-12H
    2,(H,14,15)/t8-/m0/s1;
    YGPSJZOEDVAXAB-QMMMGPOBSA-N    		 c1ccc(c(c1)C(=O)CC(C(=O)O)N)N; N[C@@H](C
    C(=O)c1ccccc1N)C(O)=O; O=C(c1ccccc1N)CC(
    C(=O)O)N; N[CH](CC(=O)c1ccccc1N)C(O)=O;
    c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N    		 (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid;
    L-KYNURENINE
    26648 KYO 1 C51 H72 N4 O11 InChI=1S/C51H72N4O11/c1-2
    6(2)25-55-22-20-51(21-23-
    55)53-38-35-36-43(58)32(8
    )46-37(35)47(60)50(9,66-4
    6)64-24-19-34(63-10)29(5)
    45(65-49(62)33-17-12-11-1
    3-18-33)31(7)42(57)30(6)4
    1(56)27(3)15-14-16-28(4)4
    8(61)52-40(44(36)59)39(38
    )54-51/h11-13,17-18,26-31
    ,34,41-42,45,53-54,56-59H
    ,14-16,19-25H2,1-10H3,(H,
    52,61)/t27-,28+,29+,30+,3
    1+,34-,41-,42+,45+,50-/m0
    /s1;
    MCRVPMWRSBLOPF-ZGLABKAESA-N    		 CO[CH]1CCO[C]2(C)Oc3c(C)c(O)c4c(O)c(NC(=
    O)[CH](C)CCC[CH](C)[CH](O)[CH](C)[CH](O)
    [CH](C)[CH](OC(=O)c5ccccc5)[CH]1C)c6NC7(
    CCN(CC7)CC(C)C)Nc6c4c3C2=O; Cc1c(c2c3c4c
    1OC(C4=O)(OCCC(C(C(C(C(C(C(C(CCCC(C(=O)N
    c(c2O)c5c3NC6(N5)CCN(CC6)CC(C)C)C)C)O)C)
    O)C)OC(=O)c7ccccc7)C)OC)C)O; Cc1c(c2c3c4
    c1O[C@@](C4=O)(OCC[C@@H]([C@H]([C@H]([C@
    @H]([C@@H]([C@@H]([C@H]([C@H](CCC[C@H](C
    (=O)Nc(c2O)c5c3NC6(N5)CCN(CC6)CC(C)C)C)C
    )O)C)O)C)OC(=O)c7ccccc7)C)OC)C)O; CO[C@H
    ]1CCO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)[
    C@H](C)CCC[C@H](C)[C@H](O)[C@@H](C)[C@@H
    ](O)[C@@H](C)[C@H](OC(=O)c5ccccc5)[C@@H]
    1C)c6NC7(CCN(CC7)CC(C)C)Nc6c4c3C2=O; CC(
    C)CN1CCC2(CC1)Nc1c(N2)c2c3C(=O)C4(C)Oc3c
    (C)c(O)c2c(O)c1NC(=O)C(C)CCCC(C)C(O)C(C)
    C(O)C(C)C(OC(=O)c1ccccc1)C(C)C(OC)CCO4    		 (9S,14S,15R,16S,17R,18R,19R,20S,21S,25R)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-10,26-dioxo-1,3,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl benzoate
    26649 KYP 1 C25 H23 N5 O4 InChI=1S/C25H23N5O4/c26-2
    3(32)19-4-1-3-18-21(31)20
    (34-22(18)19)15-16-5-7-17
    (8-6-16)24(33)29-11-13-30
    (14-12-29)25-27-9-2-10-28
    -25/h1-10,31H,11-15H2,(H2
    ,26,32);
    IJBHYCMXWUDWRG-UHFFFAOYSA-N    		 c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(cc3)C(=O)
    N4CCN(CC4)c5ncccn5)O; NC(=O)c1cccc2c(O)c
    (Cc3ccc(cc3)C(=O)N4CCN(CC4)c5ncccn5)oc12
    ; O=C(c1ccc(cc1)Cc2oc3c(cccc3c2O)C(=O)N)
    N4CCN(CC4)c5ncccn5    		 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide
    26650 KYQ
    ZINC000058649887    		 0 C9 H16 N2 O5 InChI=1S/C9H16N2O5/c10-6(
    8(13)14)3-1-2-4-11-7(5-12
    )9(15)16/h6,12H,1-5,10H2,
    (H,13,14)(H,15,16)/b11-7+
    /t6-/m0/s1;
    KPQVRBQSBOCTRG-BYPFVBTMSA-N    		 C(CCN=C(CO)C(=O)O)CC(C(=O)O)N; C(CC/N=C(
    \CO)/C(=O)O)C[C@@H](C(=O)O)N; N[CH](CCCC
    N=C(CO)C(O)=O)C(O)=O; O=C(O)C(N)CCCC/N=C
    (/C(=O)O)CO; N[C@@H](CCCCN=C(CO)C(O)=O)C
    (O)=O    		 (E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine
    26651 KYR
    CHEMBL1409169
    ZINC000011617355    		 1 C15 H12 N2 O InChI=1S/C15H12N2O/c1-10-
    6-8-11(9-7-10)14-12-4-2-3
    -5-13(12)16-15(18)17-14/h
    2-9H,1H3,(H,16,17,18);
    LPCDEMFDWKLSBL-UHFFFAOYSA-N    		 Cc1ccc(cc1)C2=NC(=O)Nc3c2cccc3; Cc1ccc(c
    c1)C2=NC(=O)Nc3ccccc23    		 4-(4-methylphenyl)-1~{H}-quinazolin-2-one
    26652 KYS 1 C24 H31 Cl N5 O4 Ru S2 InChI=1S/C18H25N5O4S2.C6H
    6.ClH.Ru/c19-9-10-20-29(2
    6,27)13-7-5-12(6-8-13)21-
    16(24)4-2-1-3-15-17-14(11
    -28-15)22-18(25)23-17;1-2
    -4-6-5-3-1;;/h5-8,14-15,1
    7,19H,1-4,9-11H2,(H,21,24
    )(H2,22,23,25);1-6H;1H;/q
    -2;;;+3/p-1/t14-,15-,17-;
    ;;/m0.../s1;
    SBEKQEIQNPKQAM-CRZSKOOBSA-M    		 c1cc(ccc1NC(=O)CCCCC2C3C(CS2)NC(=O)N3)S(
    =O)(=O)N4CCN[Ru]456789([CH]1=[CH]5[CH]6=
    [CH]7[CH]8=[CH]91)Cl; Cl[Ru]1|2|3|4|5|6(
    NCCN1[S](=O)(=O)c7ccc(NC(=O)CCCC[CH]8SC[
    CH]9NC(=O)N[CH]89)cc7)|C%10=C|2C|3=C|4C|
    5=C|6%10; Cl[Ru]1|2|3|4|5|6(NCCN1[S](=O)
    (=O)c7ccc(NC(=O)CCCC[C@@H]8SC[C@@H]9NC(=
    O)N[C@H]89)cc7)|C%10=C|2C|3=C|4C|5=C|6%1
    0; c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H]
    (CS2)NC(=O)N3)S(=O)(=O)[N@@]4CCN[Ru]4567
    89([CH]1=[CH]5[CH]6=[CH]7[CH]8=[CH]91)Cl    		 N-(4-{[(2-AMINOETHYL)AMINO]SULFONYL}PHENYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE-(1,2,3,4,5,6-ETA)-BENZENE-CHLORO-RUTHENIUM(III)
    26653 KYT 1 C24 H39 Cl N5 O2 Ru S InChI=1S/C14H25N5O2S.C10H
    14.ClH.Ru/c15-8-5-19(6-9(
    8)16)12(20)4-2-1-3-11-13-
    10(7-22-11)17-14(21)18-13
    ;1-8(2)10-6-4-9(3)5-7-10;
    ;/h8-11,13H,1-7,15-16H2,(
    H2,17,18,21);4-8H,1-3H3;1
    H;/q;;;+2/p-1/t8-,9-,10+,
    11+,13+;;;/m1.../s1;
    OJIBJWGHGYGDGX-SNKMZJELSA-M    		 CC(C)C1|2=CC|3=C(C)C(=C1)|[Ru+]|4|2|3(|N
    [C@@H]5CN(C[C@H]5N|4)C(=O)CCCC[C@@H]6SC[
    C@@H]7NC(=O)N[C@H]67)Cl; O=C1NC2C(SCC2N1
    )CCCCC(=O)N7CC6N[Ru+]45(Cl)(C3=CC5(=CC4=
    C3C)C(C)C)NC6C7; CC(C)C1|2=CC|3=C(C)C(=C
    1)|[Ru+]|4|2|3(|N[CH]5CN(C[CH]5N|4)C(=O)
    CCCC[CH]6SC[CH]7NC(=O)N[CH]67)Cl; CC1=[C
    H]2C=C3([Ru+]24([CH]1=C3)([NH2]C5CN(CC5[
    NH2]4)C(=O)CCCCC6C7C(CS6)NC(=O)N7)Cl)C(C
    )C; CC1=[CH]2C=C3([Ru+]24([CH]1=C3)([NH2
    ][C@@H]5CN(C[C@H]5[NH2]4)C(=O)CCCC[C@H]6
    [C@@H]7[C@H](CS6)NC(=O)N7)Cl)C(C)C    		 (3AS,4S,6AR)-4-(5-((3R,4R)-3,4-DIAMINOPYRROLIDIN-1-YL)-5-OXOPENTYL)TETRAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-2(3H)-ONE-P-CYMENE-CHLORO-RUTHENIUM(III)
    26654 KYU 1 C14 H11 Cl F2 N2 O InChI=1S/C14H11ClF2N2O/c1
    -9-5-6-18-8-12(9)19-13(20
    )14(16,17)10-3-2-4-11(15)
    7-10/h2-8H,1H3,(H,19,20);
    IIKFZOGWCHXLNB-UHFFFAOYSA-N    		 O=C(Nc1cnccc1C)C(F)(F)c1cccc(Cl)c1; Cc1c
    cncc1NC(=O)C(c2cccc(c2)Cl)(F)F; Cc1ccncc
    1NC(=O)C(F)(F)c2cccc(Cl)c2    		 2-(3-chlorophenyl)-2,2-difluoro-N-(4-methylpyridin-3-yl)acetamide
    26655 KYV 1 C28 H25 N5 O4 InChI=1S/C28H25N5O4/c29-2
    6(35)20-5-3-4-19-24(34)23
    (37-25(19)20)16-17-8-10-1
    8(11-9-17)27(36)32-12-14-
    33(15-13-32)28-30-21-6-1-
    2-7-22(21)31-28/h1-11,34H
    ,12-16H2,(H2,29,35)(H,30,
    31);
    FHGOQDSWXMEGJF-UHFFFAOYSA-N    		 NC(=O)c1cccc2c(O)c(Cc3ccc(cc3)C(=O)N4CCN
    (CC4)c5[nH]c6ccccc6n5)oc12; c1ccc2c(c1)[
    nH]c(n2)N3CCN(CC3)C(=O)c4ccc(cc4)Cc5c(c6
    cccc(c6o5)C(=O)N)O; N3(CCN(c1nc2c(n1)ccc
    c2)CC3)C(c6ccc(Cc5c(O)c4cccc(C(=O)N)c4o5
    )cc6)=O    		 2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide
    26656 KYW
    CHEMBL4452072    		 1 C19 H24 Cl N5 O9 P2 InChI=1S/C19H24ClN5O9P2/c
    1-24(7-11-5-3-2-4-6-11)16
    -13-17(23-19(20)22-16)25(
    9-21-13)18-15(27)14(26)12
    (34-18)8-33-36(31,32)10-3
    5(28,29)30/h2-6,9,12,14-1
    5,18,26-27H,7-8,10H2,1H3,
    (H,31,32)(H2,28,29,30)/t1
    2-,14-,15-,18-/m1/s1;
    NRCRRUYZIFHEBT-SCFUHWHPSA-N    		 CN(Cc1ccccc1)c2nc(Cl)nc3n(cnc23)[CH]4O[C
    H](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]4
    O; CN(Cc1ccccc1)c2nc(Cl)nc3n(cnc23)[C@@H
    ]4O[C@H](CO[P](O)(=O)C[P](O)(O)=O)[C@@H]
    (O)[C@H]4O; CN(Cc1ccccc1)c2c3c(nc(n2)Cl)
    n(cn3)C4C(C(C(O4)COP(=O)(CP(=O)(O)O)O)O)
    O; CN(Cc1ccccc1)c2c3c(nc(n2)Cl)n(cn3)[C@
    H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)
    (O)O)O)O)O    		 (N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP
    26657 KYX 1 C20 H23 N5 O2 InChI=1S/C20H23N5O2/c1-20
    (2,3)12-21-19(27)24-15-9-
    7-14(8-10-15)23-18(26)16-
    6-4-5-13-11-22-25-17(13)1
    6/h4-11H,12H2,1-3H3,(H,22
    ,25)(H,23,26)(H2,21,24,27
    );
    RKYDKVAEPCHCFH-UHFFFAOYSA-N    		 CC(C)(C)CNC(=O)Nc1ccc(NC(=O)c2cccc3cn[nH
    ]c23)cc1; CC(C)(C)CNC(=O)Nc1ccc(cc1)NC(=
    O)c2cccc3c2[nH]nc3; CC(C)(C)CNC(=O)Nc1cc
    c(cc1)NC(=O)c1cccc2cn[NH]c12    		 N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide
    26658 KYY 1 C17 H12 F N5 O3 InChI=1S/C17H12FN5O3/c18-
    12-6-8(4-5-9(12)17-20-22-
    23-21-17)7-13-14(24)10-2-
    1-3-11(16(19)25)15(10)26-
    13/h1-6,24H,7H2,(H2,19,25
    )(H,20,21,22,23);
    QEAANEIMWKHZNN-UHFFFAOYSA-N    		 NC(=O)c1cccc2c(O)c(Cc3ccc(c(F)c3)c4[nH]n
    nn4)oc12; c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc
    (c(c3)F)c4[nH]nnn4)O; c1cc(c(cc1Cc3oc2c(
    cccc2c3O)C(=O)N)F)c4nnnn4    		 2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide
    26659 KYZ
    CHEMBL4464573    		 4 C18 H18 N4 O5 S InChI=1S/C18H18N4O5S/c1-1
    9-28(25,26)11-7-8-16(27-2
    )15(9-11)20-17(23)10-14-1
    2-5-3-4-6-13(12)18(24)22-
    21-14/h3-9,19H,10H2,1-2H3
    ,(H,20,23)(H,22,24);
    GSAOPHWPZFNUCK-UHFFFAOYSA-N    		 CN[S](=O)(=O)c1ccc(OC)c(NC(=O)CC2=NNC(=O
    )c3ccccc23)c1; CNS(=O)(=O)c1ccc(c(c1)NC(
    =O)CC2=NNC(=O)c3c2cccc3)OC    		 ~{N}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide
    26660 KZ0
    ZINC000000269425    		 0 C6 H6 Cl3 N3 InChI=1S/C6H6Cl3N3/c7-1-4
    -10-5(2-8)12-6(3-9)11-4/h
    1-3H2;
    RICRAVHJCLFPFF-UHFFFAOYSA-N    		 C(c1nc(nc(n1)CCl)CCl)Cl; ClCc1nc(CCl)nc(
    CCl)n1    		 2,4,6-tris(chloromethyl)-1,3,5-triazine;
    Chemical crosslinker
    26661 KZ1 0 C14 H12 F3 N3 O4 S InChI=1S/C14H12F3N3O4S/c1
    5-6-1-5(10(16)11(17)12(6)
    23)2-8-14(24)20(3-9(21)22
    )13(19-8)7(18)4-25/h1-2,7
    ,23,25H,3-4,18H2,(H,21,22
    )/b8-2-/t7-/m0/s1;
    VDIXBRGMPGKZJS-CRCMBFRGSA-N    		 NC(CS)C1=N/C(C(N1CC(=O)O)=O)=C\c2c(c(c(c
    (c2)F)O)F)F; c1c(c(c(c(c1F)O)F)F)C=C2C(=
    O)N(C(=N2)C(CS)N)CC(=O)O; c1c(c(c(c(c1F)
    O)F)F)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(
    =O)O; N[CH](CS)C1=NC(=Cc2cc(F)c(O)c(F)c2
    F)C(=O)N1CC(O)=O; N[C@@H](CS)C1=N\C(=C/c
    2cc(F)c(O)c(F)c2F)C(=O)N1CC(O)=O    		 {(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (CYS-TYR-GLY)-(2,3,5-F3Y)
    26662 KZ2
    ZINC000012370194    		 6 C9 H6 O2 S InChI=1S/C9H6O2S/c10-9(11
    )7-3-1-2-6-4-5-12-8(6)7/h
    1-5H,(H,10,11);
    LJPSRTWIAXVPIS-UHFFFAOYSA-N    		 c1cc2ccsc2c(c1)C(=O)O; OC(=O)c1cccc2ccsc
    12    		 1-benzothiophene-7-carboxylic acid
    26663 KZ3
    CHEMBL1782369    		 1 C24 H26 F N O5 InChI=1S/C24H26FNO5/c25-1
    7-2-1-3-18-20(17)16(10-13
    -4-6-14(7-5-13)15-8-9-15)
    11-26(18)24-23(30)22(29)2
    1(28)19(12-27)31-24/h1-7,
    11,15,19,21-24,27-30H,8-1
    0,12H2/t19-,21-,22+,23-,2
    4-/m1/s1;
    PXRGAWZIQZMHTH-PFKOEMKTSA-N    		 OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2cc(C
    c3ccc(cc3)C4CC4)c5c(F)cccc25; c1cc2c(c(c
    1)F)c(cn2[C@H]3[C@@H]([C@H]([C@@H]([C@H]
    (O3)CO)O)O)O)Cc4ccc(cc4)C5CC5; c1cc2c(c(
    c1)F)c(cn2C3C(C(C(C(O3)CO)O)O)O)Cc4ccc(c
    c4)C5CC5; OC[C@H]1O[C@H]([C@H](O)[C@@H](
    O)[C@@H]1O)n2cc(Cc3ccc(cc3)C4CC4)c5c(F)c
    ccc25    		 (2R,3R,4S,5S,6R)-2-[3-[(4-cyclopropylphenyl)methyl]-4-fluoranyl-indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
    26664 KZ4 0 C14 H14 Br N3 O4 S InChI=1S/C14H14BrN3O4S/c1
    5-8-3-7(1-2-11(8)19)4-10-
    14(22)18(5-12(20)21)13(17
    -10)9(16)6-23/h1-4,9,19,2
    3H,5-6,16H2,(H,20,21)/b10
    -4-/t9-/m0/s1;
    TUXBTSGJXNQHMJ-SGRPLGENSA-N    		 N[C@@H](CS)C1=N\C(=C/c2ccc(O)c(Br)c2)C(=
    O)N1CC(O)=O; c1cc(c(cc1/C=C\2/C(=O)N(C(=
    N2)[C@H](CS)N)CC(=O)O)Br)O; c1cc(c(cc1C=
    C2C(=O)N(C(=N2)C(CS)N)CC(=O)O)Br)O; N[CH
    ](CS)C1=NC(=Cc2ccc(O)c(Br)c2)C(=O)N1CC(O
    )=O; NC(CS)C=1N(C(=O)C(N=1)=[C@H]c2cc(c(
    cc2)O)Br)CC(=O)O    		 {(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (CYS-TYR-GLY)3-Br
    26665 KZ5 16 C8 H13 N3 O5 S InChI=1S/C8H13N3O5S/c1-11
    (2)6(7(12)13)3-5-4-9-8(10
    -5)17(14,15)16/h4,6H,3H2,
    1-2H3,(H,9,10)(H,12,13)(H
    ,14,15,16)/t6-/m0/s1;
    OQJDKDQHBPCLDD-LURJTMIESA-N    		 CN(C)[C@@H](Cc1c[nH]c(n1)[S](O)(=O)=O)C(
    O)=O; CN(C)[C@@H](Cc1c[nH]c(n1)S(=O)(=O)
    O)C(=O)O; CN(C)[CH](Cc1c[nH]c(n1)[S](O)(
    =O)=O)C(O)=O; CN(C)C(Cc1c[nH]c(n1)S(=O)(
    =O)O)C(=O)O    		 (2~{S})-2-(dimethylamino)-3-(2-sulfo-1~{H}-imidazol-4-yl)propanoic acid
    26666 KZ6
    CHEMBL101265
    ZINC000000167246    		 1 C7 H5 I O2 InChI=1S/C7H5IO2/c8-6-3-1
    -5(2-4-6)7(9)10/h1-4H,(H,
    9,10);
    GHICCUXQJBDNRN-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)O)I; OC(=O)c1ccc(I)cc1 4-iodobenzoic acid
    26667 KZ7 0 C14 H14 Cl N3 O4 S InChI=1S/C14H14ClN3O4S/c1
    5-8-3-7(1-2-11(8)19)4-10-
    14(22)18(5-12(20)21)13(17
    -10)9(16)6-23/h1-4,9,19,2
    3H,5-6,16H2,(H,20,21)/t9-
    /m0/s1;
    BIXSGMYMNORNHX-VIFPVBQESA-N    		 N[C@@H](CS)C1=N\C(=C/c2ccc(O)c(Cl)c2)C(=
    O)N1CC(O)=O; N[CH](CS)C1=NC(=Cc2ccc(O)c(
    Cl)c2)C(=O)N1CC(O)=O; NC(CS)C=1N(CC(=O)O
    )C(=O)C(N=1)=[C@H]c2ccc(c(c2)Cl)O; c1cc(
    c(cc1C=C2C(=O)N(C(=N2)C(CS)N)CC(=O)O)Cl)
    O; c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](C
    S)N)CC(=O)O)Cl)O    		 {(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (CYS-TYR-GLY)3-Cl
    26668 KZ8
    CHEMBL4451424    		 4 C23 H20 N4 O5 S InChI=1S/C23H20N4O5S/c1-3
    2-21-12-11-16(33(30,31)27
    -15-7-3-2-4-8-15)13-20(21
    )24-22(28)14-19-17-9-5-6-
    10-18(17)23(29)26-25-19/h
    2-13,27H,14H2,1H3,(H,24,2
    8)(H,26,29);
    XJTPZDXOGCHWMM-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)CC2=NNC(=O)c3ccccc23)[S
    ](=O)(=O)Nc4ccccc4; COc1ccc(cc1NC(=O)CC2
    =NNC(=O)c3c2cccc3)S(=O)(=O)Nc4ccccc4    		 ~{N}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide
    26669 KZ9
    CHEMBL1213954
    ZINC000002601603    		 2 C14 H14 N2 O2 S InChI=1S/C14H14N2O2S/c17-
    9-4-1-3-8(7-9)13-12-10(15
    -14(19)16-13)5-2-6-11(12)
    18/h1,3-4,7,13,17H,2,5-6H
    2,(H2,15,16,19)/t13-/m0/s
    1;
    BJTGVSGWTIUCSM-ZDUSSCGKSA-N    		 Oc1cccc(c1)[CH]2NC(=S)NC3=C2C(=O)CCC3; c
    1cc(cc(c1)O)C2C3=C(CCCC3=O)NC(=S)N2; c1c
    c(cc(c1)O)[C@H]2C3=C(CCCC3=O)NC(=S)N2; O
    =C3C1=C(NC(=S)NC1c2cccc(O)c2)CCC3; Oc1cc
    cc(c1)[C@@H]2NC(=S)NC3=C2C(=O)CCC3    		 (S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE;
    (4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one
    26670 KZA 1 C21 H24 F2 N10 O7 P2 S2 InChI=1S/C21H24F2N10O7P2S
    2/c22-11-9(32-6-30-13-17(
    24)26-4-28-19(13)32)1-8-2
    -36-41(34,43)40-16-10(3-3
    7-42(35,44)39-15(8)11)38-
    21(12(16)23)33-7-31-14-18
    (25)27-5-29-20(14)33/h4-1
    2,15-16,21H,1-3H2,(H,34,4
    3)(H,35,44)(H2,24,26,28)(
    H2,25,27,29)/t8-,9-,10-,1
    1+,12-,15-,16-,21-,41-,42
    -/m1/s1;
    TYYDPOXHOPCCQR-SWACTAJXSA-N    		 c1nc(c2c(n1)n(cn2)C3CC4COP(=O)(OC5C(COP(
    =O)(OC4C3F)S)OC(C5F)n6cnc7c6ncnc7N)S)N;
    c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]4CO[P@](
    =O)(O[C@@H]5[C@@H](CO[P@](=O)(O[C@H]4[C@
    H]3F)S)O[C@H]([C@@H]5F)n6cnc7c6ncnc7N)S)
    N; Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](S)(=
    O)O[CH]5[CH](F)[CH](O[CH]5CO[P](S)(=O)O[
    CH]4[CH]3F)n6cnc7c(N)ncnc67; Nc1ncnc2n(c
    nc12)[C@@H]3C[C@@H]4CO[P@](S)(=O)O[C@H]5
    [C@@H](F)[C@@H](O[C@@H]5CO[P@](S)(=O)O[C
    @H]4[C@H]3F)n6cnc7c(N)ncnc67    		 9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine
    26671 KZB 29 C33 H54 O10 InChI=1S/C33H54O10/c1-15-
    7-10-33(40-14-15)16(2)23-
    29(43-33)26(37)24-18-6-5-
    17-11-21(41-30-28(39)27(3
    8)25(36)22(13-34)42-30)20
    (35)12-32(17,4)19(18)8-9-
    31(23,24)3/h15-30,34-39H,
    5-14H2,1-4H3/t15-,16+,17+
    ,18-,19+,20-,21-,22-,23+,
    24-,25-,26+,27+,28-,29+,3
    0-,31-,32+,33-/m0/s1;
    PDUIOILJOMOEIH-KWMFFDLQSA-N    		 C[C@H]1CC[C@]2([C@@H]([C@@H]3[C@@H](O2)[
    C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H
    ]6[C@]5(C[C@@H]([C@H](C6)O[C@@H]7[C@H]([
    C@@H]([C@H]([C@@H](O7)CO)O)O)O)O)C)C)O)C
    )OC1; C[C@H]1CC[C@]2(OC1)O[C@H]3[C@H](O)
    [C@@H]4[C@H]5CC[C@@H]6C[C@H](O[C@H]7O[C@
    @H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](
    O)C[C@@]6(C)[C@@H]5CC[C@@]4(C)[C@@H]3[C@
    H]2C; CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6
    C5(CC(C(C6)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)
    O)C)OC1; C[CH]1CC[C]2(OC1)O[CH]3[CH](O)[
    CH]4[CH]5CC[CH]6C[CH](O[CH]7O[CH](CO)[CH
    ](O)[CH](O)[CH]7O)[CH](O)C[C]6(C)[CH]5CC
    [C]4(C)[CH]3[CH]2C    		 (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol
    26672 KZC 1 C18 H17 N3 O2 InChI=1S/C18H17N3O2/c22-1
    7-12-15(14-8-4-5-9-16(14)
    21-17)18(23)20-11-10-19-1
    3-6-2-1-3-7-13/h1-9,12,19
    H,10-11H2,(H,20,23)(H,21,
    22);
    FTMBCXQGAOJUAX-UHFFFAOYSA-N    		 O=C1Nc2ccccc2C(=C1)C(=O)NCCNc3ccccc3; c1
    ccc(cc1)NCCNC(=O)C2=CC(=O)Nc3c2cccc3; O=
    C(NCCNc1ccccc1)C1=CC(=O)Nc2ccccc21    		 N-(2-anilinoethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide
    26673 KZD
    CHEMBL5174467    		 1 C36 H44 F N3 O4 InChI=1S/C36H44FN3O4/c1-2
    3-22-40-24(2)29(32(34(41)
    42)44-35(3,4)5)31(39-19-1
    7-36(6,7)18-20-39)30(33(4
    0)38-23)26-10-14-28(15-11
    -26)43-21-16-25-8-12-27(3
    7)13-9-25/h8-15,22,32H,16
    -21H2,1-7H3,(H,41,42)/t32
    -/m0/s1;
    ZXUYTEAXOFIVGG-YTTGMZPUSA-N    		 Cc1cn2c(c(c(c(c2n1)c3ccc(cc3)OCCc4ccc(cc
    4)F)N5CCC(CC5)(C)C)[C@@H](C(=O)O)OC(C)(C
    )C)C; Cc1cn2c(c(c(c(c2n1)c3ccc(cc3)OCCc4
    ccc(cc4)F)N5CCC(CC5)(C)C)C(C(=O)O)OC(C)(
    C)C)C; Cc1cn2c(C)c([CH](OC(C)(C)C)C(O)=O
    )c(N3CCC(C)(C)CC3)c(c4ccc(OCCc5ccc(F)cc5
    )cc4)c2n1; O=C(O)C(OC(C)(C)C)c1c(c(c2nc(
    C)cn2c1C)c1ccc(OCCc2ccc(F)cc2)cc1)N1CCC(
    C)(C)CC1; Cc1cn2c(C)c([C@H](OC(C)(C)C)C(
    O)=O)c(N3CCC(C)(C)CC3)c(c4ccc(OCCc5ccc(F
    )cc5)cc4)c2n1    		 (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid
    26674 KZE 1 C30 H53 O4 P InChI=1S/C30H53O4P/c1-25(
    2)13-8-14-26(3)15-9-16-27
    (4)17-10-18-28(5)19-11-20
    -29(6)21-12-22-30(7)23-24
    -34-35(31,32)33/h13,15,17
    ,19,21,30H,8-12,14,16,18,
    20,22-24H2,1-7H3,(H2,31,3
    2,33)/b26-15-,27-17-,28-1
    9-,29-21-/t30-/m1/s1;
    QHBZVPDZRJSJAI-IFQOQNDLSA-N    		 CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C
    (C)C)CCOP(=O)(O)O; C[C@@H](CCO[P](O)(O)=
    O)CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C
    )/CCC=C(C)C; C[C@H](CC/C=C(/C)\CC/C=C(/C
    )\CC/C=C(/C)\CC/C=C(/C)\CCC=C(C)C)CCOP(=
    O)(O)O; C[CH](CCO[P](O)(O)=O)CCC=C(C)CCC
    =C(C)CCC=C(C)CCC=C(C)CCC=C(C)C    		 [(3~{R},6~{Z},10~{Z},14~{Z},18~{Z})-3,7,11,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaenyl] dihydrogen phosphate
    26675 KZF
    DB03309
    ZINC000001710230    		 3 C8 H17 N O3 S InChI=1S/C8H17NO3S/c10-13
    (11,12)7-6-9-8-4-2-1-3-5-
    8/h8-9H,1-7H2,(H,10,11,12
    );
    MKWKNSIESPFAQN-UHFFFAOYSA-N    		 C1CCC(CC1)[NH2+]CCS(=O)(=O)[O-]; [O-][S]
    (=O)(=O)CC[NH2+]C1CCCCC1    		 2-(cyclohexylazaniumyl)ethanesulfonate
    26676 KZG 0 C14 H14 I N3 O4 S InChI=1S/C14H14IN3O4S/c15
    -8-3-7(1-2-11(8)19)4-10-1
    4(22)18(5-12(20)21)13(17-
    10)9(16)6-23/h1-4,9,19,23
    H,5-6,16H2,(H,20,21)/b10-
    4-/t9-/m0/s1;
    UESGSZPXJWVZOG-SGRPLGENSA-N    		 c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N
    )CC(=O)O)I)O; N[CH](CS)C1=NC(=Cc2ccc(O)c
    (I)c2)C(=O)N1CC(O)=O; c1cc(c(cc1C=C2C(=O
    )N(C(=N2)C(CS)N)CC(=O)O)I)O; NC(CS)C1=N/
    C(C(N1CC(O)=O)=O)=C\c2cc(c(cc2)O)I; N[C@
    @H](CS)C1=N\C(=C/c2ccc(O)c(I)c2)C(=O)N1C
    C(O)=O    		 {(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}aceti c acid;
    CHROMOPHORE (CYS-TYR-GLY)3-I
    26677 KZH 26 C18 H28 O3 InChI=1S/C18H28O3/c1-2-3-
    11-14-17(19)15-12-9-7-5-4
    -6-8-10-13-16-18(20)21/h3
    ,7,9,11-12,15H,2,4-6,8,10
    ,13-14,16H2,1H3,(H,20,21)
    /b9-7?,11-3?,15-12+;
    BNMYUQILBYIYOG-GLVBUJDASA-N    		 CC\C=C/CC(=O)\C=C\C=C\CCCCCCCC(O)=O; CCC
    =CCC(=O)C=CC=CCCCCCCCC(=O)O; CCC=CCC(=O)
    C=CC=CCCCCCCCC(O)=O    		 (13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid)
    26678 KZI
    ZINC000003994671    		 1 C19 H26 N6 O3 InChI=1S/C19H26N6O3/c1-27
    -12-7-11(8-13(9-12)28-2)2
    3-19-17(18(21)26)22-10-16
    (25-19)24-15-6-4-3-5-14(1
    5)20/h7-10,14-15H,3-6,20H
    2,1-2H3,(H2,21,26)(H2,23,
    24,25)/t14-,15+/m0/s1;
    QWHIZRAQVGLTOV-LSDHHAIUSA-N    		 COc1cc(cc(c1)OC)Nc2c(ncc(n2)N[C@@H]3CCCC
    [C@@H]3N)C(=O)N; COc1cc(Nc2nc(N[C@@H]3CC
    CC[C@@H]3N)cnc2C(N)=O)cc(OC)c1; COc1cc(N
    c2nc(N[CH]3CCCC[CH]3N)cnc2C(N)=O)cc(OC)c
    1; COc1cc(cc(c1)OC)Nc2c(ncc(n2)NC3CCCCC3
    N)C(=O)N    		 5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide
    26679 KZJ
    CHEMBL4453441    		 2 C23 H20 N8 O2 InChI=1S/C23H20N8O2/c1-25
    -18-11-20(29-31-19(13-26-
    21(18)31)22(32)27-15-6-7-
    15)28-17-3-2-10-30(23(17)
    33)16-8-4-14(12-24)5-9-16
    /h2-5,8-11,13,15,25H,6-7H
    2,1H3,(H,27,32)(H,28,29);
    LMOIQLXOGZDGRD-UHFFFAOYSA-N    		 CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4
    =O)c5ccc(cc5)C#N; CNc1cc(NC2=CC=CN(C2=O)
    c3ccc(cc3)C#N)nn4c(cnc14)C(=O)NC5CC5; N1
    (C(=O)C(=CC=C1)Nc2cc(c4n(n2)c(C(=O)NC3CC
    3)cn4)NC)c5ccc(cc5)C#N    		 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
    26680 KZK
    CHEMBL4591066
    ZINC000016097357    		 4 C23 H27 N3 O4 S InChI=1S/C23H27N3O4S/c1-3
    0-22-11-10-18(31(28,29)26
    -12-6-2-3-7-13-26)15-21(2
    2)25-23(27)14-17-16-24-20
    -9-5-4-8-19(17)20/h4-5,8-
    11,15-16,24H,2-3,6-7,12-1
    4H2,1H3,(H,25,27);
    WUSKETSOXMZDPT-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)
    (=O)N4CCCCCC4; COc1ccc(cc1NC(=O)Cc2c[nH]
    c3ccccc23)[S](=O)(=O)N4CCCCCC4    		 ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1~{H}-indol-3-yl)ethanamide
    26681 KZL
    ZINC000058660900    		 1 C18 H24 N8 O3 InChI=1S/C18H24N8O3/c1-18
    (2,8-19)24-17-23-15(13(14
    (20)27)16-25-21-9-26(16)1
    7)22-10-5-11(28-3)7-12(6-
    10)29-4/h5-7,9,22H,8,19H2
    ,1-4H3,(H2,20,27)(H,23,24
    );
    AEEITZXNPLOKQJ-UHFFFAOYSA-N    		 CC(C)(CN)Nc1nc(c(c2n1cnn2)C(=O)N)Nc3cc(c
    c(c3)OC)OC; COc1cc(Nc2nc(NC(C)(C)CN)n3cn
    nc3c2C(N)=O)cc(OC)c1    		 5-[(2-amino-1,1-dimethylethyl)amino]-7-[(3,5-dimethoxyphenyl)amino][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide
    26682 KZM
    ZINC000038517410    		 1 C26 H30 N8 O4 InChI=1S/C26H30N8O4/c1-37
    -17-11-15(12-18(13-17)38-
    2)29-24-21(22(28)36)25-31
    -23(14-6-5-7-16(35)10-14)
    33-34(25)26(32-24)30-20-9
    -4-3-8-19(20)27/h5-7,10-1
    3,19-20,29,35H,3-4,8-9,27
    H2,1-2H3,(H2,28,36)(H,30,
    32)/t19-,20+/m0/s1;
    JQVIBYQWWUOARA-VQTJNVASSA-N    		 COc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)n4nc(n
    c4c2C(N)=O)c5cccc(O)c5)cc(OC)c1; COc1cc(
    cc(c1)OC)Nc2c(c3nc(nn3c(n2)N[C@@H]4CCCC[
    C@@H]4N)c5cccc(c5)O)C(=O)N; COc1cc(Nc2nc
    (N[CH]3CCCC[CH]3N)n4nc(nc4c2C(N)=O)c5ccc
    c(O)c5)cc(OC)c1; COc1cc(cc(c1)OC)Nc2c(c3
    nc(nn3c(n2)NC4CCCCC4N)c5cccc(c5)O)C(=O)N    		 5-{[(1R,2S)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
    26683 KZN
    CHEMBL4462271    		 4 C26 H24 N4 O5 S InChI=1S/C26H24N4O5S/c1-3
    5-24-11-10-19(36(33,34)30
    -13-12-17-6-2-3-7-18(17)1
    6-30)14-23(24)27-25(31)15
    -22-20-8-4-5-9-21(20)26(3
    2)29-28-22/h2-11,14H,12-1
    3,15-16H2,1H3,(H,27,31)(H
    ,29,32);
    OBCUZJPWFQZKTN-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)CC2=NNC(=O)c3ccccc23)[S
    ](=O)(=O)N4CCc5ccccc5C4; COc1ccc(cc1NC(=
    O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5cc
    ccc5C4    		 ~{N}-[5-(3,4-dihydro-1~{H}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide
    26684 KZO 2 C41 H68 O14 InChI=1S/C41H68O14/c1-35(
    2)24(54-33-29(48)26(45)20
    (44)17-51-33)9-11-41-18-4
    0(41)13-12-37(5)31(39(7)1
    0-8-25(55-39)36(3,4)50)19
    (43)15-38(37,6)23(40)14-2
    1(32(35)41)52-34-30(49)28
    (47)27(46)22(16-42)53-34/
    h19-34,42-50H,8-18H2,1-7H
    3/t19-,20-,21+,22-,23+,24
    +,25-,26+,27-,28+,29-,30-
    ,31+,32+,33+,34-,37-,38+,
    39-,40+,41-/m1/s1;
    QMNWISYXSJWHRY-RDWDXCDVSA-N    		 CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(
    CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO
    )O)O)O)OC8C(C(C(CO8)O)O)O)C; C[C@]12CC[C
    @@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C
    @H]4[C@@]1(C[C@H]([C@@H]2[C@]6(CC[C@@H](
    O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C
    @@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H
    ]([C@H]([C@@H](CO8)O)O)O; CC(C)(O)[CH]1C
    C[C](C)(O1)[CH]2[CH](O)C[C]3(C)[CH]4C[CH
    ](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[C
    H]6C(C)(C)[CH](CC[C]67C[C]47CC[C]23C)O[C
    H]8OC[CH](O)[CH](O)[CH]8O; CC(C)(O)[C@H]
    1CC[C@@](C)(O1)[C@H]2[C@H](O)C[C@@]3(C)[
    C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)
    [C@H](O)[C@H]5O)[C@H]6C(C)(C)[C@H](CC[C@
    @]67C[C@@]47CC[C@]23C)O[C@@H]8OC[C@@H](O
    )[C@H](O)[C@H]8O    		 Astragaloside IV
    26685 KZP
    CHEMBL4593051    		 2 C25 H20 Cl N7 InChI=1S/C25H20ClN7/c1-3-
    33-25-22(23(27)29-14-30-2
    5)21(32-33)11-10-18-15(2)
    4-9-20-19(18)12-13-28-24(
    20)31-17-7-5-16(26)6-8-17
    /h4-9,12-14H,3H2,1-2H3,(H
    ,28,31)(H2,27,29,30);
    AZFFXPMHTGBCGM-UHFFFAOYSA-N    		 CCn1c2c(c(n1)C#Cc3c(ccc4c3ccnc4Nc5ccc(cc
    5)Cl)C)c(ncn2)N; c2cnc(Nc1ccc(Cl)cc1)c5c
    2c(C#Cc4c3c(N)ncnc3n(CC)n4)c(cc5)C; CCn1
    nc(C#Cc2c(C)ccc3c(Nc4ccc(Cl)cc4)nccc23)c
    5c(N)ncnc15    		 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine
    26686 KZQ
    ZINC000014954344    		 1 C19 H16 F N5 O2 InChI=1S/C19H16FN5O2/c1-1
    0-16(17(24-19(27)22-10)11
    -2-4-13(20)5-3-11)18(26)2
    3-14-6-7-15-12(8-14)9-21-
    25-15/h2-9,17H,1H3,(H,21,
    25)(H,23,26)(H2,22,24,27)
    /t17-/m0/s1;
    HEAIGWIZTYAQTC-KRWDZBQOSA-N    		 CC1=C(C(NC(=O)N1)c2ccc(cc2)F)C(=O)Nc3ccc
    4c(c3)c[nH]n4; Fc1ccc(cc1)C4NC(=O)NC(=C4
    C(=O)Nc2cc3cnnc3cc2)C; CC1=C([C@@H](NC(=
    O)N1)c2ccc(F)cc2)C(=O)Nc3ccc4n[nH]cc4c3;
    CC1=C([C@@H](NC(=O)N1)c2ccc(cc2)F)C(=O)
    Nc3ccc4c(c3)c[nH]n4; CC1=C([CH](NC(=O)N1
    )c2ccc(F)cc2)C(=O)Nc3ccc4n[nH]cc4c3    		 (4S)-4-(4-fluorophenyl)-N-(2H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
    26687 KZR
    CHEMBL147044
    ZINC000013588987    		 1 C23 H39 N5 O InChI=1S/C23H39N5O/c1-2-2
    2(29)28(16-9-4-3-8-15-26-
    23(24)25)21-13-18-27(19-1
    4-21)17-12-20-10-6-5-7-11
    -20/h5-7,10-11,21H,2-4,8-
    9,12-19H2,1H3,(H4,24,25,2
    6);
    DFIQEYNYBQJLCL-UHFFFAOYSA-N    		 [H]/N=C(\N)/NCCCCCCN(C1CCN(CC1)CCc2ccccc
    2)C(=O)CC; CCC(=O)N(CCCCCCNC(=N)N)C1CCN(
    CCc2ccccc2)CC1; CCC(=O)N(CCCCCCNC(=N)N)C
    1CCN(CC1)CCc2ccccc2; CCC(=O)N(CCCCCCNC(N
    )=N)C1CCN(CC1)CCc2ccccc2    		 N-(6-carbamimidamidohexyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
    26688 KZS 4 C20 H38 N4 O2 InChI=1S/C20H38N4O2/c1-5-
    25-15-20(16-26-6-2)9-7-17
    (8-10-20)19-18(13-22-23-1
    9)14-24(4)12-11-21-3/h13,
    17,21H,5-12,14-16H2,1-4H3
    ,(H,22,23);
    SPEGERVLTUWZPA-UHFFFAOYSA-N    		 CCOCC1(CCC(CC1)c2[nH]ncc2CN(C)CCNC)COCC;
    CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)CO
    CC; CCOCC1(CCC(CC1)c2nncc2CN(C)CCNC)COCC    		 N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine;
    GSK3368715
    26689 KZT
    CHEMBL4549287    		 4 C24 H27 N3 O4 S InChI=1S/C24H27N3O4S/c1-3
    1-23-11-10-19(32(29,30)27
    -14-6-2-3-7-15-27)17-22(2
    3)26-24(28)16-18-12-13-25
    -21-9-5-4-8-20(18)21/h4-5
    ,8-13,17H,2-3,6-7,14-16H2
    ,1H3,(H,26,28);
    NMFIWQRACOVPFY-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)Cc2ccnc3c2cccc3)S(=O)(=
    O)N4CCCCCC4; COc1ccc(cc1NC(=O)Cc2ccnc3cc
    ccc23)[S](=O)(=O)N4CCCCCC4    		 ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide
    26690 KZU
    CHEMBL4227437    		 1 C24 H27 N7 O3 S2 InChI=1S/C24H27N7O3S2/c1-
    16-9-17(2)27-24(26-16)35-
    15-22(32)28-23-25-12-21(3
    6-23)11-18-5-4-6-20(10-18
    )34-14-19-13-31(30-29-19)
    7-8-33-3/h4-6,9-10,12-13H
    ,7-8,11,14-15H2,1-3H3,(H,
    25,28,32);
    MAUGCLAAQLDMTD-UHFFFAOYSA-N    		 COCCn1cc(COc2cccc(Cc3sc(NC(=O)CSc4nc(C)c
    c(C)n4)nc3)c2)nn1; Cc1cc(nc(n1)SCC(=O)Nc
    2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)CCOC)C    		 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide;
    triazole-based sirtuin-rearranging ligand (SirReal)
    26691 KZV 0 C14 H14 F N3 O4 S InChI=1S/C14H14FN3O4S/c15
    -8-3-7(1-2-11(8)19)4-10-1
    4(22)18(5-12(20)21)13(17-
    10)9(16)6-23/h1-4,9,19,23
    H,5-6,16H2,(H,20,21)/t9-/
    m0/s1;
    VLHZURFNMGSQIL-VIFPVBQESA-N    		 NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2cc
    (F)c(cc2)O; c1cc(c(cc1C=C2C(=O)N(C(=N2)C
    (CS)N)CC(=O)O)F)O; N[CH](CS)C1=NC(=Cc2cc
    c(O)c(F)c2)C(=O)N1CC(O)=O; c1cc(c(cc1/C=
    C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)F)O;
    N[C@@H](CS)C1=N\C(=C/c2ccc(O)c(F)c2)C(=
    O)N1CC(O)=O    		 {(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ace tic acid;
    CHROMOPHORE (CYS-TYR-GLY)-3F
    26692 KZX 1 C14 H13 F N2 O InChI=1S/C14H13FN2O/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);
    MLLQAKCWQMHQOK-UHFFFAOYSA-N    		 O=C(Nc1cnccc1C)Cc1cccc(F)c1; Cc1ccncc1NC
    (=O)Cc2cccc(c2)F; Cc1ccncc1NC(=O)Cc2cccc
    (F)c2    		 2-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)acetamide
    26693 KZY 0 C15 H17 N3 O4 S InChI=1S/C15H17N3O4S/c1-8
    -4-9(2-3-12(8)19)5-11-15(
    22)18(6-13(20)21)14(17-11
    )10(16)7-23/h2-5,10,19,23
    H,6-7,16H2,1H3,(H,20,21)/
    b11-5-/t10-/m0/s1;
    BJLXCEQLOHEWMA-QIMWGGGBSA-N    		 NC(CS)C1=N/C(C(N1CC(=O)O)=O)=C\c2cc(c(cc
    2)O)C; Cc1cc(ccc1O)C=C2N=C([CH](N)CS)N(C
    C(O)=O)C2=O; Cc1cc(ccc1O)/C=C\2/C(=O)N(C
    (=N2)[C@H](CS)N)CC(=O)O; Cc1cc(ccc1O)C=C
    2C(=O)N(C(=N2)C(CS)N)CC(=O)O; Cc1cc(ccc1
    O)\C=C2/N=C([C@@H](N)CS)N(CC(O)=O)C2=O    		 {(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (CYS-TYR-GLY)3-CH3
    26694 KZZ
    CHEMBL4453158    		 4 C32 H33 N5 O2 InChI=1S/C32H33N5O2/c1-39
    -30-14-13-24(26-11-4-5-12
    -27(26)30)20-36-17-15-29-
    28(21-36)31(35-37(29)18-1
    6-33)32(38)34-19-23-9-6-8
    -22-7-2-3-10-25(22)23/h2-
    14H,15-21,33H2,1H3,(H,34,
    38);
    WADXPVUOGGMXPD-UHFFFAOYSA-N    		 COc1ccc(CN2CCc3n(CCN)nc(C(=O)NCc4cccc5cc
    ccc45)c3C2)c6ccccc16; COc1ccc(c2c1cccc2)
    CN3CCc4c(c(nn4CCN)C(=O)NCc5cccc6c5cccc6)
    C3    		 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide
    26695 L00
    CHEMBL1088070
    ZINC000016052258    		 1 C26 H35 Cl N6 O4 S InChI=1S/C26H35ClN6O4S/c1
    -17-13-19(17)16-33(11-12-
    36-4)21-14-20(22(27)23(29
    -21)32(3)38(5,34)35)24-30
    -31-25(37-24)26(2,28)15-1
    8-9-7-6-8-10-18/h6-10,14,
    17,19H,11-13,15-16,28H2,1
    -5H3/t17-,19+,26+/m0/s1;
    NIFMMESJJLKLHP-BNJIMDBKSA-N    		 CC1CC1CN(CCOC)c2cc(c(c(n2)N(C)S(=O)(=O)C
    )Cl)c3nnc(o3)C(C)(Cc4ccccc4)N; O=S(=O)(N
    (c2nc(N(CC1CC1C)CCOC)cc(c2Cl)c3nnc(o3)C(
    N)(C)Cc4ccccc4)C)C; C[C@H]1C[C@@H]1CN(CC
    OC)c2cc(c(c(n2)[N@](C)S(=O)(=O)C)Cl)c3nn
    c(o3)[C@@](C)(Cc4ccccc4)N; COCCN(C[C@H]1
    C[C@@H]1C)c2cc(c(Cl)c(n2)N(C)[S](C)(=O)=
    O)c3oc(nn3)[C@](C)(N)Cc4ccccc4; COCCN(C[
    CH]1C[CH]1C)c2cc(c(Cl)c(n2)N(C)[S](C)(=O
    )=O)c3oc(nn3)[C](C)(N)Cc4ccccc4    		 (2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine;
    N-(4-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-3-CHLORO-6-[(2-METHOXYETHYL){[(1S,2S)-2-METHYLCYCLO PROPYL]METHYL}AMINO]PYRIDIN-2-YL)-N-METHYLMETHANESULFONAMIDE
    26696 L01
    CHEMBL443239
    ZINC000028968529    		 1 C32 H41 N3 O4 InChI=1S/C32H41N3O4/c1-4-
    17-35(18-5-2)32(38)27-15-
    10-14-26(21-27)31(37)34-2
    9(20-24-11-7-6-8-12-24)30
    (36)23-33-22-25-13-9-16-2
    8(19-25)39-3/h6-16,19,21,
    29-30,33,36H,4-5,17-18,20
    ,22-23H2,1-3H3,(H,34,37)/
    t29-,30+/m0/s1;
    WPRACYICKOKGTO-XZWHSSHBSA-N    		 CCCN(CCC)C(=O)c1cccc(c1)C(=O)NC(Cc2ccccc
    2)C(CNCc3cccc(c3)OC)O; CCCN(CCC)C(=O)c1c
    ccc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CNCc3
    cccc(OC)c3; CCCN(CCC)C(=O)c1cccc(c1)C(=O
    )N[C@@H](Cc2ccccc2)[C@@H](CNCc3cccc(c3)O
    C)O; O=C(N(CCC)CCC)c1cccc(c1)C(=O)NC(Cc2
    ccccc2)C(O)CNCc3cc(OC)ccc3; CCCN(CCC)C(=
    O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H]
    (O)CNCc3cccc(OC)c3    		 3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE;
    HYDROXYETHYLAMINE BACE INHIBITOR
    26697 L02
    CHEMBL75691
    DB08061
    ZINC000005974200    		 1 C14 H16 Cl N3 InChI=1S/C14H16ClN3/c15-1
    2-3-1-10(2-4-12)13-9-14(1
    8-17-13)11-5-7-16-8-6-11/
    h1-4,9,11,16H,5-8H2,(H,17
    ,18);
    GELALLNTKKLQLM-UHFFFAOYSA-N    		 Clc1ccc(cc1)c2nnc(c2)C3CCNCC3; c1cc(ccc1
    c2cc([nH]n2)C3CCNCC3)Cl; Clc1ccc(cc1)c2c
    c([nH]n2)C3CCNCC3    		 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE
    26698 L03
    CHEMBL225664
    DB08062
    ZINC000018004728    		 1 C9 H8 Cl N3 S InChI=1S/C9H8ClN3S/c1-14-
    9-11-8(12-13-9)6-2-4-7(10
    )5-3-6/h2-5H,1H3,(H,11,12
    ,13);
    YXVAYMRODBYXIQ-UHFFFAOYSA-N    		 CSc1[nH]c(nn1)c2ccc(Cl)cc2; CSc1[nH]c(nn
    1)c2ccc(cc2)Cl; Clc1ccc(cc1)c2nnc(SC)n2    		 3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE
    26699 L04
    CHEMBL8933
    ZINC000024608115    		 1 C43 H48 F N3 O5 InChI=1S/C43H48FN3O5/c1-2
    9(2)26-39(41(49)45-37-12-
    4-3-5-13-37)46-40(48)33(2
    0-17-30-15-18-31(19-16-30
    )32-21-23-36(44)24-22-32)
    27-34(43(51)52)10-8-9-25-
    47-28-35-11-6-7-14-38(35)
    42(47)50/h3-7,11-16,18-19
    ,21-24,29,33-34,39H,8-10,
    17,20,25-28H2,1-2H3,(H,45
    ,49)(H,46,48)(H,51,52)/t3
    3-,34+,39+/m1/s1;
    WSHMSPGZDPZGRV-GZYXPWJKSA-N    		 CC(C)CC(C(=O)Nc1ccccc1)NC(=O)C(CCc2ccc(c
    c2)c3ccc(cc3)F)CC(CCCCN4Cc5ccccc5C4=O)C(
    =O)O; CC(C)C[CH](NC(=O)[CH](CCc1ccc(cc1)
    c2ccc(F)cc2)C[CH](CCCCN3Cc4ccccc4C3=O)C(
    O)=O)C(=O)Nc5ccccc5; CC(C)C[C@H](NC(=O)[
    C@H](CCc1ccc(cc1)c2ccc(F)cc2)C[C@H](CCCC
    N3Cc4ccccc4C3=O)C(O)=O)C(=O)Nc5ccccc5; O
    =C(Nc1ccccc1)C(NC(=O)C(CCc3ccc(c2ccc(F)c
    c2)cc3)CC(C(=O)O)CCCCN5C(=O)c4ccccc4C5)C
    C(C)C; CC(C)C[C@@H](C(=O)Nc1ccccc1)NC(=O
    )[C@H](CCc2ccc(cc2)c3ccc(cc3)F)C[C@H](CC
    CCN4Cc5ccccc5C4=O)C(=O)O    		 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID;
    L004
    26700 L05
    CHEMBL189938
    DB08063    		 4 C24 H20 N2 O3 InChI=1S/C24H20N2O3/c1-29
    -20-14-12-19(13-15-20)25-
    22-21(18-10-6-3-7-11-18)2
    3(27)26(24(22)28)16-17-8-
    4-2-5-9-17/h2-15,25H,16H2
    ,1H3;
    HLZMYWLMBBLASX-UHFFFAOYSA-N    		 O=C1C(=C(C(=O)N1Cc2ccccc2)Nc3ccc(OC)cc3)
    c4ccccc4; COc1ccc(cc1)NC2=C(C(=O)N(C2=O)
    Cc3ccccc3)c4ccccc4; COc1ccc(NC2=C(C(=O)N
    (Cc3ccccc3)C2=O)c4ccccc4)cc1    		 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE
    26701 L06 3 C7 H15 N3 O2 S InChI=1S/C7H15N3O2S/c8-7(
    9)10-3-1-2-5(4-13)6(11)12
    /h5,13H,1-4H2,(H,11,12)(H
    4,8,9,10)/t5-/m0/s1;
    JOVIPJZDTSYNNW-YFKPBYRVSA-N    		 O=C(O)C(CCCNC(=[N@H])N)CS; C(C[C@@H](CS)
    C(=O)O)CNC(=N)N; NC(=N)NCCC[C@@H](CS)C(O
    )=O; C(CC(CS)C(=O)O)CNC(=N)N; NC(=N)NCCC
    [CH](CS)C(O)=O    		 5-{[AMINO(IMINO)METHYL]AMINO}-2-(SULFANYLMETHYL)PENTANOIC ACID
    26702 L07
    CHEMBL512901
    ZINC000040843022    		 8 C13 H13 N3 S InChI=1S/C13H13N3S/c1-2-5
    -10-16-11-12(17-10)8-6-3-
    4-7-9(8)15-13(11)14/h3-4,
    6-7H,2,5H2,1H3,(H2,14,15);
    NFYMGJSUKCDVJR-UHFFFAOYSA-N    		 CCCc1sc2c3ccccc3nc(N)c2n1; n2c1ccccc1c3s
    c(nc3c2N)CCC; CCCc1nc2c(s1)c3ccccc3nc2N    		 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine;
    CL075;
    3M-002
    26703 L08
    CHEMBL1233907
    DB02177
    ZINC000016051394    		 4 C25 H26 N4 O4 S InChI=1S/C25H26N4O4S/c1-3
    -33-22-6-4-5-7-24(22)34-2
    3-9-8-19(16-21(23)29(31)3
    2)20-10-11-26-25(17-20)28
    -14-12-27(13-15-28)18(2)3
    0/h4-11,16-17H,3,12-15H2,
    1-2H3;
    GKGJFUXSTSUKPB-UHFFFAOYSA-N    		 CCOc1ccccc1Sc2ccc(cc2[N+](=O)[O-])c3ccnc
    (c3)N4CCN(CC4)C(=O)C; [O-][N+](=O)c2c(Sc
    1ccccc1OCC)ccc(c2)c3cc(ncc3)N4CCN(C(=O)C
    )CC4; CCOc1ccccc1Sc2ccc(cc2[N+]([O-])=O)
    c3ccnc(c3)N4CCN(CC4)C(C)=O    		 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE
    26704 L09
    CHEMBL191598
    DB08064
    ZINC000016051617    		 1 C20 H22 Cl N5 O2 InChI=1S/C20H22ClN5O2/c1-
    20(2,3)17-10-18(26-25-17)
    24-19(27)23-14-6-7-16(21)
    13(9-14)12-28-15-5-4-8-22
    -11-15/h4-11H,12H2,1-3H3,
    (H3,23,24,25,26,27);
    NTMADESEDXKNFZ-UHFFFAOYSA-N    		 O=C(Nc1cc(nn1)C(C)(C)C)Nc2cc(c(Cl)cc2)CO
    c3cccnc3; CC(C)(C)c1cc([nH]n1)NC(=O)Nc2c
    cc(Cl)c(COc3cccnc3)c2; CC(C)(C)c1cc([nH]
    n1)NC(=O)Nc2ccc(c(c2)COc3cccnc3)Cl    		 N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
    26705 L0A 0 C56 H92 O29 InChI=1S/C56H92O29/c1-19-
    7-10-56(75-17-19)20(2)31-
    45(85-56)37(67)32-22-6-5-
    21-11-26(24(61)12-55(21,4
    )23(22)8-9-54(31,32)3)76-
    50-42(72)39(69)44(30(16-6
    0)80-50)81-53-48(47(36(66
    )29(15-59)79-53)83-49-40(
    70)33(63)25(62)18-74-49)8
    4-52-43(73)46(35(65)28(14
    -58)78-52)82-51-41(71)38(
    68)34(64)27(13-57)77-51/h
    19-53,57-73H,5-18H2,1-4H3
    /t19-,20-,21-,22+,23+,24+
    ,25-,26+,27-,28+,29+,30-,
    31-,32+,33-,34+,35+,36-,3
    7+,38-,39-,40-,41+,42-,43
    +,44+,45+,46-,47+,48-,49+
    ,50-,51+,52-,53-,54+,55+,
    56+/m1/s1;
    UVYVLBIGDKGWPX-WARWRJHWSA-N    		 C[CH]1CC[C]2(OC1)O[CH]3[CH](O)[CH]4[CH]5
    CC[CH]6C[CH](O[CH]7O[CH](CO)[CH](O[CH]8O
    [CH](CO)[CH](O)[CH](O[CH]9OC[CH](O)[CH](
    O)[CH]9O)[CH]8O[CH]%10O[CH](CO)[CH](O)[C
    H](O[CH]%11O[CH](CO)[CH](O)[CH](O)[CH]%1
    1O)[CH]%10O)[CH](O)[CH]7O)[CH](O)C[C]6(C
    )[CH]5CC[C]4(C)[CH]3[CH]2C; CC1CCC2(C(C3
    C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(
    C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO
    9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2
    )CO)O)O)O)O)O)O)O)C)C)O)C)OC1; C[C@@H]1C
    C[C@]2(OC1)O[C@@H]3[C@@H](O)[C@@H]4[C@H]
    5CC[C@@H]6C[C@H](O[C@@H]7O[C@H](CO)[C@H]
    (O[C@H]8O[C@@H](CO)[C@@H](O)[C@H](O[C@@H
    ]9OC[C@@H](O)[C@@H](O)[C@H]9O)[C@H]8O[C@
    H]%10O[C@@H](CO)[C@H](O)[C@@H](O[C@@H]%1
    1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]%11O)[
    C@@H]%10O)[C@H](O)[C@H]7O)[C@@H](O)C[C@]
    6(C)[C@H]5CC[C@@]4(C)[C@@H]3[C@H]2C; C[C
    @@H]1CC[C@]2([C@@H]([C@@H]3[C@H](O2)[C@H
    ]([C@H]4[C@]3(CC[C@H]5[C@@H]4CC[C@H]6[C@
    @]5(C[C@@H]([C@H](C6)O[C@H]7[C@@H]([C@H]
    ([C@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H](
    [C@@H]([C@@H](O8)CO)O)O[C@H]9[C@@H]([C@@
    H]([C@@H](CO9)O)O)O)O[C@@H]2[C@H]([C@@H]
    ([C@H]([C@@H](O2)CO)O)O[C@H]2[C@H]([C@@H
    ]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)
    C)OC1; CC%11CCC1(C(C2C(O1)C(C3C4C(CCC23C
    )C5(C(CC4)CC(C(C5)O)OC6C(C(C(C(O6)CO)OC7
    C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(
    C(C(C(O9)CO)O)OC%10C(C(C(C(O%10)CO)O)O)O
    )O)O)O)C)O)C)OC%11    		 Digitonin;
    (2S,3S,4aR,5'R,6aR,8S,8aS,10S,11S,11aS,12R,14aS,14bS)-2,8-dihydroxy-5',11,12,14b-tetramethyloctadecahydrospiro[naphtho[1',2':6,7]cyclonona[1,2-b]furan-10,2'-oxan]-3-yl beta-D-idopyranosyl-(1->
    3)-beta-L-glucopyranosyl-(1->
    2)-[alpha-D-lyxopyranosyl-(1->
    3)]-alpha-L-gulopyranosyl-(1->
    4)-beta-D-glucopyranoside
    26706 L0B
    CHEMBL122270
    DB05137
    ZINC000000001624    		 90 C22 H27 N O2 InChI=1S/C22H27NO2/c1-23-
    19(15-21(24)17-9-4-2-5-10
    -17)13-8-14-20(23)16-22(2
    5)18-11-6-3-7-12-18/h2-7,
    9-12,19-21,24H,8,13-16H2,
    1H3/t19-,20+,21-/m0/s1;
    MXYUKLILVYORSK-HBMCJLEFSA-N    		 CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@H
    ](O)c3ccccc3; CN1[C@@H](CCC[C@@H]1CC(=O)
    c2ccccc2)C[C@@H](c3ccccc3)O; O=C(c1ccccc
    1)CC3N(C)C(CC(O)c2ccccc2)CCC3; CN1C(CCCC
    1CC(=O)c2ccccc2)CC(c3ccccc3)O; CN1[CH](C
    CC[CH]1CC(=O)c2ccccc2)C[CH](O)c3ccccc3    		 Alpha-Lobeline
    26707 L0C 1 C22 H22 F N6 O2 InChI=1S/C22H21FN6O2/c23-
    16-4-2-15(3-5-16)22(30)27
    -19-12-24-28-20(19)21-25-
    17-6-1-14(11-18(17)26-21)
    13-29-7-9-31-10-8-29/h1-6
    ,11-12H,7-10,13H2,(H,24,2
    8)(H,25,26)(H,27,30)/p+1;
    AKIIIZOJWRPEPQ-UHFFFAOYSA-O    		 c1cc(ccc1C(=O)Nc2c[nH]nc2c3[nH]c4cc(ccc4
    n3)C[NH]5CCOCC5)F; Fc1ccc(cc1)C(=O)Nc2c[
    nH]nc2c3[nH]c4cc(C[NH]5CCOCC5)ccc4n3    		 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM
    26708 L0D
    CHEMBL495758
    DB08065
    ZINC000005687459    		 1 C10 H8 N4 InChI=1S/C10H8N4/c1-2-4-8
    -7(3-1)12-10(13-8)9-5-6-1
    1-14-9/h1-6H,(H,11,14)(H,
    12,13);
    IYTGPPNUOLLGBE-UHFFFAOYSA-N    		 n2c1c(cccc1)nc2c3nncc3; [nH]1ccc(n1)c2[n
    H]c3ccccc3n2; c1ccc2c(c1)[nH]c(n2)c3cc[n
    H]n3    		 2-(1H-pyrazol-3-yl)-1H-benzimidazole
    26709 L0E 1 C22 H24 N7 O2 InChI=1S/C22H23N7O2/c30-2
    2(24-16-4-2-1-3-5-16)27-1
    9-13-23-28-20(19)21-25-17
    -7-6-15(12-18(17)26-21)14
    -29-8-10-31-11-9-29/h1-7,
    12-13H,8-11,14H2,(H,23,28
    )(H,25,26)(H2,24,27,30)/p
    +1;
    SOTHNRIRXPUQEZ-UHFFFAOYSA-O    		 O=C(Nc1ccccc1)Nc2c[nH]nc2c3[nH]c4ccc(C[N
    H]5CCOCC5)cc4n3; c1ccc(cc1)NC(=O)Nc2c[nH
    ]nc2c3[nH]c4ccc(cc4n3)C[NH]5CCOCC5    		 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM
    26710 L0F
    CHEMBL522891
    DB08066    		 2 C17 H13 N5 O InChI=1S/C17H13N5O/c23-17
    (11-6-2-1-3-7-11)21-14-10
    -18-22-15(14)16-19-12-8-4
    -5-9-13(12)20-16/h1-10H,(
    H,18,22)(H,19,20)(H,21,23
    );
    FPKSFXFWECAIBR-UHFFFAOYSA-N    		 O=C(Nc1c[nH]nc1c2[nH]c3ccccc3n2)c4ccccc4
    ; c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4cccc
    c4n3; O=C(Nc1c(nnc1)c2nc3ccccc3n2)c4cccc
    c4    		 N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE
    26711 L0G 1 C19 H25 N7 O2 InChI=1S/C19H23N7O2/c27-1
    9(21-13-2-3-13)24-16-10-2
    0-25-17(16)18-22-14-4-1-1
    2(9-15(14)23-18)11-26-5-7
    -28-8-6-26/h1,4,9-10,13H,
    2-3,5-8,11H2,(H,20,25)(H,
    22,23)(H2,21,24,27)/p+2;
    LOLPPWBBNUVNQZ-UHFFFAOYSA-P    		 c1cc2c(cc1C[NH+]3CCOCC3)[nH]c([nH+]2)c4c
    (c[nH]n4)NC(=O)NC5CC5; O=C(NC1CC1)Nc2c[n
    H]nc2c3[nH]c4cc(C[NH+]5CCOCC5)ccc4[nH+]3
    ; O=C(NC1CC1)Nc2cnnc2c4[nH+]c3ccc(cc3n4)
    C[NH+]5CCOCC5    		 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM
    26712 L0H 0 C17 H13 N5 O InChI=1S/C17H13N5O/c23-17
    (11-6-2-1-3-7-11)21-14-10
    -18-22-15(14)16-19-12-8-4
    -5-9-13(12)20-16/h1-10H,(
    H,18,22)(H,19,20)(H,21,23
    );
    FPKSFXFWECAIBR-UHFFFAOYSA-N    		 O=C(Nc1c[nH]nc1c2[nH]c3ccccc3n2)c4ccccc4
    ; c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4cccc
    c4n3; O=C(c1ccccc1)Nc4cnnc4c2nc3c(n2)ccc
    c3    		 N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE
    26713 L0I
    DB08067    		 1 C19 H24 N7 O2 InChI=1S/C19H23N7O2/c27-1
    9(21-13-2-3-13)24-16-10-2
    0-25-17(16)18-22-14-4-1-1
    2(9-15(14)23-18)11-26-5-7
    -28-8-6-26/h1,4,9-10,13H,
    2-3,5-8,11H2,(H,20,25)(H,
    22,23)(H2,21,24,27)/p+1;
    LOLPPWBBNUVNQZ-UHFFFAOYSA-O    		 O=C(NC1CC1)Nc2cnnc2c4nc3ccc(cc3n4)C[NH+]
    5CCOCC5; c1cc2c(cc1C[NH+]3CCOCC3)[nH]c(n
    2)c4c(c[nH]n4)NC(=O)NC5CC5; O=C(NC1CC1)N
    c2c[nH]nc2c3[nH]c4cc(C[NH+]5CCOCC5)ccc4n
    3    		 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM
    26714 L0J
    CHEMBL4467253    		 1 C14 H22 N4 O4 S InChI=1S/C14H22N4O4S/c15-
    5-8-23(20,21)18-6-3-11(4-
    7-18)16-14(19)12-9-13(22-
    17-12)10-1-2-10/h9-11H,1-
    8,15H2,(H,16,19);
    AMCHZZBLDUVCGF-UHFFFAOYSA-N    		 c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3C
    C3; C1CN(CCC1NC(=O)c3cc(C2CC2)on3)S(CCN)
    (=O)=O; NCC[S](=O)(=O)N1CCC(CC1)NC(=O)c2
    cc(on2)C3CC3    		 N-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
    26715 L0K
    CHEMBL4451178    		 4 C27 H26 N4 O5 S InChI=1S/C27H26N4O5S/c1-3
    6-25-11-10-20(37(34,35)31
    -14-12-18-6-2-3-7-19(18)1
    3-15-31)16-24(25)28-26(32
    )17-23-21-8-4-5-9-22(21)2
    7(33)30-29-23/h2-11,16H,1
    2-15,17H2,1H3,(H,28,32)(H
    ,30,33);
    QNCBSZJYYJGVGP-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)CC2=NNC(=O)c3ccccc23)[S
    ](=O)(=O)N4CCc5ccccc5CC4; COc1ccc(cc1NC(
    =O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5c
    cccc5CC4    		 ~{N}-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide
    26716 L0M 1 C27 H21 N5 O2 InChI=1S/C27H21N5O2/c1-18
    -26-30-25(19-9-3-2-4-10-1
    9)27(31(26)16-15-28-18)29
    -24(33)17-32-20-11-5-7-13
    -22(20)34-23-14-8-6-12-21
    (23)32/h2-16H,17H2,1H3,(H
    ,29,33);
    YQDHGEPNDQLBRG-UHFFFAOYSA-N    		 Cc1nccn2c(NC(=O)CN3c4ccccc4Oc5ccccc35)c(
    nc12)c6ccccc6; Cc1c2nc(c(n2ccn1)NC(=O)CN
    3c4ccccc4Oc5c3cccc5)c6ccccc6; Cc1nccn2c1
    nc(c2NC(=O)CN4c5ccccc5Oc3c4cccc3)c6ccccc
    6    		 N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide
    26717 L0N
    CHEMBL5220529    		 1 C30 H36 N6 O2 InChI=1S/C30H36N6O2/c1-5-
    25(37)33-23-8-6-7-22(17-2
    3)26-27-29(31-19-32-30(27
    )38-18-20(2)3)34-28(26)21
    -9-11-24(12-10-21)36-15-1
    3-35(4)14-16-36/h6-12,17,
    19-20H,5,13-16,18H2,1-4H3
    ,(H,33,37)(H,31,32,34);
    GYFHWHMKICJOJM-UHFFFAOYSA-N    		 CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)
    N5CCN(CC5)C)ncnc3OCC(C)C; CCC(=O)Nc1cccc
    (c1)c2c([nH]c3ncnc(OCC(C)C)c23)c4ccc(cc4
    )N5CCN(C)CC5    		 ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
    26718 L0P
    ZINC000025737525    		 1 C24 H20 N4 O2 S InChI=1S/C24H20N4O2S/c1-1
    6-8-7-13-27-23(16)26-22(1
    7-9-3-2-4-10-17)24(27)25-
    20(29)14-28-18-11-5-6-12-
    19(18)31-15-21(28)30/h2-1
    3H,14-15H2,1H3,(H,25,29);
    MSTWIUSEUCGNEI-UHFFFAOYSA-N    		 Cc1cccn2c1nc(c2NC(=O)CN3c4ccccc4SCC3=O)c
    5ccccc5; Cc1cccn2c(NC(=O)CN3C(=O)CSc4ccc
    cc34)c(nc12)c5ccccc5; Cc1cccn2c1nc(c2NC(
    =O)CN4C(CSc3c4cccc3)=O)c5ccccc5    		 N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
    26719 L0Q
    CHEMBL5220645    		 1 C29 H34 N6 O2 InChI=1S/C29H34N6O2/c1-5-
    24(36)32-22-8-6-7-21(17-2
    2)25-26-28(30-18-31-29(26
    )37-19(2)3)33-27(25)20-9-
    11-23(12-10-20)35-15-13-3
    4(4)14-16-35/h6-12,17-19H
    ,5,13-16H2,1-4H3,(H,32,36
    )(H,30,31,33);
    WLQUQTHWWMACGB-UHFFFAOYSA-N    		 CCC(=O)Nc1cccc(c1)c2c([nH]c3ncnc(OC(C)C)
    c23)c4ccc(cc4)N5CCN(C)CC5; CCC(=O)Nc1ccc
    c(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)n
    cnc3OC(C)C    		 ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
    26720 L0R
    CHEMBL3431692
    ZINC000095920878    		 2 C23 H26 N2 O3 InChI=1S/C23H26N2O3/c26-2
    2(17-28-20-10-2-1-3-11-20
    )25-14-7-6-12-21(25)23(27
    )24-15-13-18-8-4-5-9-19(1
    8)16-24/h1-5,8-11,21H,6-7
    ,12-17H2/t21-/m1/s1;
    CJQMUNJPWNNVDR-OAQYLSRUSA-N    		 O=C(COc1ccccc1)N2CCCC[CH]2C(=O)N3CCc4ccc
    cc4C3; c1ccc(cc1)OCC(=O)N2CCCC[C@@H]2C(=
    O)N3CCc4ccccc4C3; O=C(COc1ccccc1)N2CCCC[
    C@@H]2C(=O)N3CCc4ccccc4C3; c1ccc(cc1)OCC
    (=O)N2CCCCC2C(=O)N3CCc4ccccc4C3; O=C(N3C
    (C(=O)N2Cc1ccccc1CC2)CCCC3)COc4ccccc4    		 1-[(2R)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone
    26721 L0S 6 C8 H19 N2 O2 P InChI=1S/C8H19N2O2P/c1-6-
    10(7-2)8(3)9-13(5,11)12-4
    /h6-7H2,1-5H3/b9-8+/t13-/
    m1/s1;
    YYUQHVXOVGFZEM-MMQHEFTJSA-N    		 CCN(CC)C(=NP(=O)(C)OC)C; CCN(CC)/C(=N/[P
    @@](=O)(C)OC)/C; CCN(CC)C(C)=N[P](C)(=O)
    OC; COP(/N=C(/N(CC)CC)C)(=O)C; CCN(CC)C(
    C)=N[P@](C)(=O)OC    		 methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate;
    A-232
    26722 L0T 1 C82 H44 N16 O34 S8 InChI=1S/C82H52N16O34S8/c
    1-34(99)83-43-18-2-10-35-
    59(133(109,110)111)26-51(
    84-67(35)43)75(100)92-44-
    19-3-11-36-60(134(112,113
    )114)27-52(85-68(36)44)76
    (101)93-45-20-4-12-37-61(
    135(115,116)117)28-53(86-
    69(37)45)77(102)94-46-21-
    5-13-38-62(136(118,119)12
    0)29-54(87-70(38)46)78(10
    3)95-47-22-6-14-39-63(137
    (121,122)123)30-55(88-71(
    39)47)79(104)96-48-23-7-1
    5-40-64(138(124,125)126)3
    1-56(89-72(40)48)80(105)9
    7-49-24-8-16-41-65(139(12
    7,128)129)32-57(90-73(41)
    49)81(106)98-50-25-9-17-4
    2-66(140(130,131)132)33-5
    8(82(107)108)91-74(42)50/
    h2-33H,1H3,(H,83,99)(H,92
    ,100)(H,93,101)(H,94,102)
    (H,95,103)(H,96,104)(H,97
    ,105)(H,98,106)(H,107,108
    )(H,109,110,111)(H,112,11
    3,114)(H,115,116,117)(H,1
    18,119,120)(H,121,122,123
    )(H,124,125,126)(H,127,12
    8,129)(H,130,131,132)/p-8;
    IHZXKZSCEKIUSH-UHFFFAOYSA-F    		 CC(=O)Nc1cccc2c(cc(nc12)C(=O)Nc3cccc4c(c
    c(nc34)C(=O)Nc5cccc6c(cc(nc56)C(=O)Nc7cc
    cc8c(cc(nc78)C(=O)Nc9cccc%10c(cc(nc9%10)
    C(=O)Nc%11cccc%12c(cc(nc%11%12)C(=O)Nc%1
    3cccc%14c(cc(nc%13%14)C(=O)Nc%15cccc%16c
    (cc(nc%15%16)C(O)=O)[S]([O-])(=O)=O)[S](
    [O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O
    )=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S](
    [O-])(=O)=O)[S]([O-])(=O)=O; CC(=O)Nc1cc
    cc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc3cccc4c3
    nc(cc4S(=O)(=O)[O-])C(=O)Nc5cccc6c5nc(cc
    6S(=O)(=O)[O-])C(=O)Nc7cccc8c7nc(cc8S(=O
    )(=O)[O-])C(=O)Nc9cccc1c9nc(cc1S(=O)(=O)
    [O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])
    C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)
    Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)O    		 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate
    26723 L0W 2 C95 H182 N2 O25 P2 InChI=1S/C95H182N2O25P2/c
    1-8-14-20-26-32-38-39-45-
    51-57-63-69-88(104)117-81
    (67-61-55-49-43-36-30-24-
    18-12-5)73-90(106)120-93-
    91(97-86(102)72-80(66-60-
    54-48-42-35-29-23-17-11-4
    )116-87(103)68-62-56-50-4
    4-37-31-25-19-13-6)95(119
    -84(77-113-7)92(93)121-12
    3(107,108)109)115-75-82(7
    4-98)118-94(122-124(110,1
    11)112)83(96-85(101)70-78
    (99)64-58-52-46-40-33-27-
    21-15-9-2)76-114-89(105)7
    1-79(100)65-59-53-47-41-3
    4-28-22-16-10-3/h78-84,91
    -95,98-100H,8-77H2,1-7H3,
    (H,96,101)(H,97,102)(H2,1
    07,108,109)(H2,110,111,11
    2)/t78-,79-,80-,81-,82+,8
    3-,84-,91-,92-,93-,94-,95
    -/m1/s1;
    WFPYFXOOZWPZCO-PICFCIIGSA-N    		 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(
    =O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP
    (=O)(O)O)COC)OC[C@H](CO)O[C@@H]([C@@H](C
    OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H
    ](CCCCCCCCCCC)O)OP(=O)(O)O)NC(=O)C[C@@H]
    (CCCCCCCCCCC)OC(=O)CCCCCCCCCCC; CCCCCCCC
    CCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=O)O[CH]1
    [CH](NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCC
    CCCCCC)[CH](OC[CH](CO)O[CH](O[P](O)(O)=O
    )[CH](COC(=O)C[CH](O)CCCCCCCCCCC)NC(=O)C
    [CH](O)CCCCCCCCCCC)O[CH](COC)[CH]1O[P](O
    )(O)=O; CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC
    )CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC)OCC(CO
    )OC(C(COC(=O)CC(CCCCCCCCCCC)O)NC(=O)CC(C
    CCCCCCCCCC)O)OP(=O)(O)O)NC(=O)CC(CCCCCCC
    CCCC)OC(=O)CCCCCCCCCCC; CCCCCCCCCCCCCC(=
    O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H
    ](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCC
    CCCCC)[C@H](OC[C@H](CO)O[C@H](O[P](O)(O)
    =O)[C@@H](COC(=O)C[C@H](O)CCCCCCCCCCC)NC
    (=O)C[C@H](O)CCCCCCCCCCC)O[C@H](COC)[C@H
    ]1O[P](O)(O)=O    		 lipopolysaccharide fragment
    26724 L0X 1 C22 H37 N5 O InChI=1S/C22H37N5O/c1-2-2
    1(28)27(15-8-4-7-14-25-22
    (23)24)20-12-17-26(18-13-
    20)16-11-19-9-5-3-6-10-19
    /h3,5-6,9-10,20H,2,4,7-8,
    11-18H2,1H3,(H4,23,24,25);
    GYNGGXVVNBPKPG-UHFFFAOYSA-N    		 [H]/N=C(/N)\NCCCCCN(C1CCN(CC1)CCc2ccccc2
    )C(=O)CC; CCC(=O)N(CCCCCNC(=N)N)C1CCN(CC
    c2ccccc2)CC1; CCC(=O)N(CCCCCNC(=N)N)C1CC
    N(CC1)CCc2ccccc2; CCC(=O)N(CCCCCNC(N)=N)
    C1CCN(CC1)CCc2ccccc2    		 N-(5-carbamimidamidopentyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
    26725 L0Y 2 C26 H32 N2 O5 InChI=1S/C26H32N2O5/c1-28
    (17-20-11-12-22-24(23(20)
    26(30)31)33-14-13-32-22)1
    6-19-9-5-6-10-21(19)25(29
    )27-15-1-7-3-2-4-8-18/h5-
    6,9-12,18H,2-4,7-8,13-17H
    2,1H3,(H,27,29)(H,30,31);
    XSHGFHPQUOIBPT-UHFFFAOYSA-N    		 CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4OCCOc
    4c3C(O)=O; O=C(NCC1CCCCC1)c2ccccc2CN(C)C
    c4ccc3OCCOc3c4C(=O)O; CN(Cc1ccccc1C(=O)N
    CC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCCO4    		 6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
    26726 L0Z
    CHEMBL4566818    		 2 C36 H38 N6 O2 InChI=1S/C36H38N6O2/c1-23
    -28(7-6-8-30(23)40-34(43)
    25-13-15-27(16-14-25)36(2
    ,3)4)32-29-21-31(39-33(29
    )38-22-37-32)24-9-11-26(1
    2-10-24)35(44)42-19-17-41
    (5)18-20-42/h6-16,21-22H,
    17-20H2,1-5H3,(H,40,43)(H
    ,37,38,39);
    IGVLLOMIUXKXBM-UHFFFAOYSA-N    		 CN1CCN(CC1)C(=O)c2ccc(cc2)c3[nH]c4ncnc(c
    5cccc(NC(=O)c6ccc(cc6)C(C)(C)C)c5C)c4c3;
    Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3c4
    cc([nH]c4ncn3)c5ccc(cc5)C(=O)N6CCN(CC6)C    		 4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide
    26727 L10 1 C20 H21 Cl N4 O InChI=1S/C20H21ClN4O/c1-2
    0(2,3)17-13-18(25(24-17)1
    6-7-5-4-6-8-16)23-19(26)2
    2-15-11-9-14(21)10-12-15/
    h4-13,24H,1-3H3,(H,22,26)
    /b23-18+;
    PEGHHVFLTANTIZ-PTGBLXJZSA-N    		 CC(C)(C)C1=CC(=NC(=O)Nc2ccc(Cl)cc2)N(N1)
    c3ccccc3; CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc
    2)Cl)N(N1)c3ccccc3; Clc1ccc(cc1)NC(=O)/N
    =C3\C=C(NN3c2ccccc2)C(C)(C)C    		 N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA
    26728 L11
    DB08068
    ZINC000033295973    		 1 C23 H25 Cl F N3 O3 InChI=1S/C23H25ClFN3O3/c2
    4-22-4-3-19(11-17(22)15-3
    1-21-2-1-5-26-14-21)27-23
    (29)16-10-18(25)13-20(12-
    16)28-6-8-30-9-7-28/h1-5,
    10-11,14,18,20H,6-9,12-13
    ,15H2,(H,27,29)/t18-,20-/
    m0/s1;
    YQJVDUKATDECHF-ICSRJNTNSA-N    		 Clc1ccc(cc1COc2cccnc2)NC(=O)C4=CC(F)CC(N
    3CCOCC3)C4; F[CH]1C[CH](CC(=C1)C(=O)Nc2c
    cc(Cl)c(COc3cccnc3)c2)N4CCOCC4; F[C@@H]1
    C[C@H](CC(=C1)C(=O)Nc2ccc(Cl)c(COc3cccnc
    3)c2)N4CCOCC4; c1cc(cnc1)OCc2cc(ccc2Cl)N
    C(=O)C3=CC(CC(C3)N4CCOCC4)F    		 N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-
    26729 L12
    CHEMBL193156
    DB01953
    ZINC000000094256    		 1 C15 H14 N2 InChI=1S/C15H14N2/c1-2-4-
    15-14(3-1)13(11-17-15)6-5
    -12-7-9-16-10-8-12/h1-4,7
    -11,17H,5-6H2;
    UUEYCHLWAOBOHG-UHFFFAOYSA-N    		 n1ccc(cc1)CCc3c2ccccc2nc3; c1ccc2c(c1)c(
    c[nH]2)CCc3ccncc3; C(Cc1c[nH]c2ccccc12)c
    3ccncc3    		 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE;
    INHIBITOR OF P38 KINASE
    26730 L13
    DB08069
    ZINC000006812656    		 2 C9 H10 N4 S InChI=1S/C9H10N4S/c1-6-4-
    2-3-5-7(6)8-11-12-9(14)13
    (8)10/h2-5H,10H2,1H3,(H,1
    2,14);
    CUEYNOAJNUCBAP-UHFFFAOYSA-N    		 Cc1ccccc1C2=NNC(=S)N2N; S=C1N(N)C(=NN1)c
    2c(cccc2)C    		 4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
    26731 L14
    ZINC000100020651    		 2 C8 H12 O4 InChI=1S/C8H12O4/c9-7(10)
    5-1-2-6(4-3-5)8(11)12/h5-
    6H,1-4H2,(H,9,10)(H,11,12
    )/t5-,6-;
    PXGZQGDTEZPERC-IZLXSQMJSA-N    		 C1CC(CCC1C(=O)O)C(=O)O; OC(=O)[CH]1CC[CH
    ](CC1)C(O)=O; O=C(O)C1CCC(C(=O)O)CC1; OC
    (=O)[C@@H]1CC[C@H](CC1)C(O)=O    		 trans-cyclohexane-1,4-dicarboxylic acid
    26732 L15
    CHEMBL228224
    DB08070
    ZINC000016052554    		 1 C12 H15 N3 InChI=1S/C12H15N3/c1-9-12
    (8-14-15-9)11-4-2-10(3-5-
    11)6-7-13/h2-5,8H,6-7,13H
    2,1H3,(H,14,15);
    ILTOXASLQDKYJW-UHFFFAOYSA-N    		 n2c(c(c1ccc(cc1)CCN)cn2)C; Cc1n[nH]cc1c2
    ccc(CCN)cc2; Cc1c(c[nH]n1)c2ccc(cc2)CCN    		 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE
    26733 L17
    ZINC000016051725    		 1 C22 H20 Cl2 F2 N4 O3 InChI=1S/C22H20Cl2F2N4O3/
    c1-14(15-5-4-6-16(23)11-1
    5)28-21(31)12-18-17(24)8-
    9-20(30(18)33)27-13-22(25
    ,26)19-7-2-3-10-29(19)32/
    h2-11,14,27H,12-13H2,1H3,
    (H,28,31)/t14-/m1/s1;
    ISTCYDGUBPNUDF-CQSZACIVSA-N    		 Clc1cccc(c1)C(NC(=O)Cc3[n+]([O-])c(NCC(F
    )(F)c2[n+]([O-])cccc2)ccc3Cl)C; C[C@H](c
    1cccc(c1)Cl)NC(=O)Cc2c(ccc([n+]2[O-])NCC
    (c3cccc[n+]3[O-])(F)F)Cl; CC(c1cccc(c1)C
    l)NC(=O)Cc2c(ccc([n+]2[O-])NCC(c3cccc[n+
    ]3[O-])(F)F)Cl; C[CH](NC(=O)Cc1c(Cl)ccc(
    NCC(F)(F)c2cccc[n+]2[O-])[n+]1[O-])c3ccc
    c(Cl)c3; C[C@@H](NC(=O)Cc1c(Cl)ccc(NCC(F
    )(F)c2cccc[n+]2[O-])[n+]1[O-])c3cccc(Cl)
    c3    		 L17;
    2-(3-CHLORO-6-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-1-OXIDOPYRIDIN-2-YL)-N-[1-(3-CHLOROPHENYL)ETHYL]ACETAMIDE
    26734 L18
    DB08071
    ZINC000053683354    		 1 C18 H29 N InChI=1S/C18H29N/c1-15(14
    -18-11-7-8-12-19(18)3)13-
    16(2)17-9-5-4-6-10-17/h4-
    6,9-10,15-16,18H,7-8,11-1
    4H2,1-3H3/t15-,16+,18-/m0
    /s1;
    UEEAJOUBQAEABH-JZXOWHBKSA-N    		 C[CH](C[CH](C)c1ccccc1)C[CH]2CCCCN2C; C[
    C@H](C[C@@H]1CCCC[N@]1C)C[C@@H](C)c2cccc
    c2; CC(CC1CCCCN1C)CC(C)c2ccccc2; C[C@@H]
    (C[C@@H](C)c1ccccc1)C[C@@H]2CCCCN2C; c1c
    cccc1C(C)CC(CC2N(C)CCCC2)C    		 (2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine
    26735 L19
    CHEMBL3813892
    ZINC000211275802    		 1 C26 H24 N2 O3 InChI=1S/C26H24N2O3/c1-31
    -23-16-27-13-11-20(23)25-
    21-15-19(17-7-8-17)9-10-2
    2(21)28(14-12-24(29)30)26
    (25)18-5-3-2-4-6-18/h2-6,
    9-11,13,15-17H,7-8,12,14H
    2,1H3,(H,29,30);
    XQDGPJKJSHQJFB-UHFFFAOYSA-N    		 COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O
    )O)C5CC5; COc1cnccc1c2c3cc(ccc3n(CCC(O)=
    O)c2c4ccccc4)C5CC5; O=C(O)CCn1c5c(c(c1c2
    ccccc2)c3c(cncc3)OC)cc(C4CC4)cc5    		 3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl]propanoic acid
    26736 L1A
    ZINC000024801066    		 2 C33 H50 N6 O7 S2 InChI=1S/C33H50N6O7S2/c1-
    22(2)17-29(40)30(41)26(18
    -23-9-5-3-6-10-23)36-31(4
    2)27(20-25-21-47-33(34)35
    -25)37-32(43)28(19-24-11-
    7-4-8-12-24)38-48(44,45)3
    9-13-15-46-16-14-39/h3-5,
    7-8,11-12,21-23,26-30,38,
    40-41H,6,9-10,13-20H2,1-2
    H3,(H2,34,35)(H,36,42)(H,
    37,43)/t23-,26+,27-,28-,2
    9-,30+/m0/s1;
    NZCOCZHRRKSGSQ-LUFJSDQJSA-N    		 CC(C)C[C@@H]([C@@H]([C@@H](C[C@@H]1CCC=C
    C1)NC(=O)[C@H](Cc2csc(n2)N)NC(=O)[C@H](C
    c3ccccc3)NS(=O)(=O)N4CCOCC4)O)O; O=S(=O)
    (N1CCOCC1)NC(C(=O)NC(C(=O)NC(CC2CC=CCC2)
    C(O)C(O)CC(C)C)Cc3nc(sc3)N)Cc4ccccc4; CC
    (C)CC(C(C(CC1CCC=CC1)NC(=O)C(Cc2csc(n2)N
    )NC(=O)C(Cc3ccccc3)NS(=O)(=O)N4CCOCC4)O)
    O; CC(C)C[CH](O)[CH](O)[CH](C[CH]1CCC=CC
    1)NC(=O)[CH](Cc2csc(N)n2)NC(=O)[CH](Cc3c
    cccc3)N[S](=O)(=O)N4CCOCC4; CC(C)C[C@H](
    O)[C@H](O)[C@@H](C[C@@H]1CCC=CC1)NC(=O)[
    C@H](Cc2csc(N)n2)NC(=O)[C@H](Cc3ccccc3)N
    [S](=O)(=O)N4CCOCC4    		 N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE
    26737 L1B
    ZINC000024800772    		 2 C19 H24 N5 O InChI=1S/C19H23N5O/c1-3-1
    5-17(18(20)23-19(21)22-15
    )14-8-7-13-6-4-9-24(16(13
    )12-14)10-5-11-25-2/h4,6-
    9,12H,3,5,10-11H2,1-2H3,(
    H3,20,21,23)/p+1;
    AKHGQFJJDOXYFM-UHFFFAOYSA-O    		 CCc1nc(N)nc(N)c1c2ccc3ccc[n+](CCCOC)c3c2
    ; CCc1c(c(nc(n1)N)N)c2ccc3ccc[n+](c3c2)C
    CCOC; n1c(c(c(nc1N)N)c3cc2[n+](cccc2cc3)
    CCCOC)CC    		 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM
    26738 L1C
    CHEMBL474678
    ZINC000038995989    		 1 C28 H22 Cl F2 N5 O4 InChI=1S/C28H22ClF2N5O4/c
    29-17-4-7-19(8-5-17)33-27
    (39)36-16-28(40,21-10-6-1
    8(30)13-22(21)31)14-23(36
    )26(38)34-24-11-9-20(15-3
    2-24)35-12-2-1-3-25(35)37
    /h1-13,15,23,40H,14,16H2,
    (H,33,39)(H,32,34,38)/t23
    -,28-/m1/s1;
    BGECSWGTDIXGJY-QDPGVEIFSA-N    		 c1cc(ccc1NC(=O)N2CC(CC2C(=O)Nc3ccc(cn3)N
    4C=CC=CC4=O)(c5ccc(cc5F)F)O)Cl; Clc1ccc(
    cc1)NC(=O)N3CC(O)(c2ccc(F)cc2F)CC3C(=O)N
    c4ncc(cc4)N5C=CC=CC5=O; O[C@@]1(C[C@@H](
    N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cn3)
    N4C=CC=CC4=O)c5ccc(F)cc5F; O[C]1(C[CH](N
    (C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cn3)N
    4C=CC=CC4=O)c5ccc(F)cc5F; c1cc(ccc1NC(=O
    )N2C[C@](C[C@@H]2C(=O)Nc3ccc(cn3)N4C=CC=
    CC4=O)(c5ccc(cc5F)F)O)Cl    		 (2R,4S)-N^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N^2^-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide
    26739 L1D
    CHEMBL515107
    ZINC000038995990    		 1 C29 H24 Cl F N4 O4 InChI=1S/C29H24ClFN4O4/c3
    0-20-9-11-21(12-10-20)32-
    28(38)35-18-29(39,19-6-2-
    1-3-7-19)17-25(35)27(37)3
    3-24-14-13-22(16-23(24)31
    )34-15-5-4-8-26(34)36/h1-
    16,25,39H,17-18H2,(H,32,3
    8)(H,33,37)/t25-,29-/m1/s
    1;
    ZFOBYPBSJINJKI-VAVYLYDRSA-N    		 c1ccc(cc1)C2(CC(N(C2)C(=O)Nc3ccc(cc3)Cl)
    C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O; c1ccc(c
    c1)[C@]2(C[C@@H](N(C2)C(=O)Nc3ccc(cc3)Cl
    )C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O; O[C]1(
    C[CH](N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3cc
    c(cc3F)N4C=CC=CC4=O)c5ccccc5; Clc1ccc(cc
    1)NC(=O)N3CC(O)(c2ccccc2)CC3C(=O)Nc4c(F)
    cc(cc4)N5C=CC=CC5=O; O[C@@]1(C[C@@H](N(C
    1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cc3F)N4
    C=CC=CC4=O)c5ccccc5    		 (2R,4S)-N^1^-(4-chlorophenyl)-N^2^-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide
    26740 L1E
    CHEMBL1197798
    ZINC000039300628    		 2 C26 H19 Cl N8 InChI=1S/C26H19ClN8/c1-15
    -4-9-19-18(10-12-29-24(19
    )34-17-7-5-16(27)6-8-17)2
    1(15)35-25-20(3-2-11-28-2
    5)22-23-26(32-13-30-22)33
    -14-31-23/h2-14H,1H3,(H,2
    8,35)(H,29,34)(H,30,31,32
    ,33);
    KKVYYGGCHJGEFJ-UHFFFAOYSA-N    		 Cc1ccc2c(c1Nc3c(cccn3)c4c5c(nc[nH]5)ncn4
    )ccnc2Nc6ccc(cc6)Cl; Clc1ccc(cc1)Nc2nccc
    3c2ccc(c3Nc6ncccc6c4ncnc5ncnc45)C; Cc1cc
    c2c(Nc3ccc(Cl)cc3)nccc2c1Nc4ncccc4c5ncnc
    6nc[nH]c56    		 N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine;
    N5-(3-(9H-purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine
    26741 L1F 1 C20 H20 N2 O4 InChI=1S/C20H20N2O4/c1-22
    (11-12-26-18-10-6-5-9-17(
    18)25-2)20(24)15-13-19(23
    )21-16-8-4-3-7-14(15)16/h
    3-10,13H,11-12H2,1-2H3,(H
    ,21,23);
    BIHUQYISOBUTJB-UHFFFAOYSA-N    		 COc1ccccc1OCCN(C)C(=O)C1=CC(=O)Nc2ccccc2
    1; COc1ccccc1OCCN(C)C(=O)C2=CC(=O)Nc3ccc
    cc23; CN(CCOc1ccccc1OC)C(=O)C2=CC(=O)Nc3
    c2cccc3    		 N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
    26742 L1G
    CHEMBL314627    		 2 C33 H39 N9 O2 InChI=1S/C33H39N9O2/c1-39
    -14-16-41(17-15-39)23-9-1
    1-24(12-10-23)42-32-29(31
    (34)35-20-36-32)30(38-42)
    22-8-13-25(28(19-22)44-3)
    37-33(43)27-18-21-6-4-5-7
    -26(21)40(27)2/h4-8,13,18
    -20,23-24H,9-12,14-17H2,1
    -3H3,(H,37,43)(H2,34,35,3
    6)/t23-,24-;
    STVKLDUINKMZFE-RQNOJGIXSA-N    		 Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(nc
    nc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N; COc1cc(
    ccc1NC(=O)c2cc3ccccc3n2C)c4nn([CH]5CC[CH
    ](CC5)N6CCN(C)CC6)c7ncnc(N)c47; O=C(c2cc
    1ccccc1n2C)Nc3ccc(cc3OC)c5nn(c4ncnc(N)c4
    5)C7CCC(N6CCN(CC6)C)CC7; COc1cc(ccc1NC(=
    O)c2cc3ccccc3n2C)c4nn([C@H]5CC[C@@H](CC5
    )N6CCN(C)CC6)c7ncnc(N)c47    		 N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE
    26743 L1H
    CHEMBL4591327    		 1 C23 H21 F N4 O2 InChI=1S/C23H21FN4O2/c1-2
    3(2,30)14-28-20-8-4-3-7-1
    9(20)26-22(28)27-21(29)17
    -10-16(11-18(24)12-17)15-
    6-5-9-25-13-15/h3-13,30H,
    14H2,1-2H3,(H,26,27,29);
    DJZWMTBYRCKZMQ-UHFFFAOYSA-N    		 CC(C)(Cn1c2ccccc2nc1NC(=O)c3cc(cc(c3)F)c
    4cccnc4)O; CC(C)(O)Cn1c(NC(=O)c2cc(F)cc(
    c2)c3cccnc3)nc4ccccc14    		 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide
    26744 L1J
    CHEMBL68908
    ZINC000000404256    		 0 C10 H13 N5 O4 InChI=1S/C10H13N5O4/c11-1
    0-13-8-7(9(18)14-10)12-3-
    15(8)6-1-4(17)5(2-16)19-6
    /h3-6,16-17H,1-2H2,(H3,11
    ,13,14,18)/t4-,5+,6+/m0/s
    1;
    YKBGVTZYEHREMT-KVQBGUIXSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](C
    O)O3; c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO
    )O)N=C(NC2=O)N; c1nc2c(n1C3CC(C(O3)CO)O)
    N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3
    C[C@H](O)[C@@H](CO)O3    		 2-azanyl-9-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one
    26745 L1K
    CHEMBL4434788    		 1 C23 H22 N4 O2 InChI=1S/C23H22N4O2/c1-23
    (2,29)15-27-20-11-7-6-10-
    18(20)25-22(27)26-21(28)1
    7-12-13-24-19(14-17)16-8-
    4-3-5-9-16/h3-14,29H,15H2
    ,1-2H3,(H,25,26,28);
    UDMIRQWCOXFLHS-UHFFFAOYSA-N    		 CC(C)(O)Cn1c(NC(=O)c2ccnc(c2)c3ccccc3)nc
    4ccccc14; CC(C)(Cn1c2ccccc2nc1NC(=O)c3cc
    nc(c3)c4ccccc4)O    		 ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide
    26746 L1L 0 C6 H14 N O8 P InChI=1S/C6H14NO8P/c7-3-5
    (10)4(9)2(1-8)14-6(3)15-1
    6(11,12)13/h2-6,8-10H,1,7
    H2,(H2,11,12,13)/t2-,3-,4
    -,5-,6-/m1/s1;
    YMJBYRVFGYXULK-QZABAPFNSA-N    		 N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O
    )(O)=O; N[C@@H]1[C@@H](O)[C@H](O)[C@@H](
    CO)O[C@@H]1O[P](O)(O)=O; C([C@@H]1[C@H](
    [C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O
    ; C(C1C(C(C(C(O1)OP(=O)(O)O)N)O)O)O    		 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose;
    [(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate;
    2-amino-2-deoxy-1-O-phosphono-alpha-D-glucose;
    2-amino-2-deoxy-1-O-phosphono-D-glucose;
    2-amino-2-deoxy-1-O-phosphono-glucose
    26747 L1M 4 C8 H19 N2 O2 P InChI=1S/C8H19N2O2P/c1-5-
    10(6-2)8(4)9-13(11)12-7-3
    /h13H,5-7H2,1-4H3/b9-8+;
    OJNAFPOCQGTUIK-CMDGGOBGSA-N    		 CCO[PH](=O)N=C(C)N(CC)CC; C(C)N(/C(C)=N/
    P(OCC)=O)CC; CCN(CC)C(=NP(=O)OCC)C; CCN(
    CC)/C(=N/[P@H](=O)OCC)/C; CCO[P@@H](=O)N
    =C(C)N(CC)CC    		 ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate
    26748 L1N
    ZINC000100992764    		 2 C21 H15 N5 O3 S2 InChI=1S/C21H15N5O3S2/c27
    -21-15(19-16(25-21)8-9-17
    -20(19)30-12-24-17)11-23-
    13-4-6-14(7-5-13)31(28,29
    )26-18-3-1-2-10-22-18/h1-
    12,25,27H,(H,22,26)/b23-1
    1+;
    CDNIYBIKHDLGMT-FOKLQQMPSA-N    		 c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Cc3c4c(c
    cc5c4scn5)[nH]c3O; Oc1[nH]c2ccc3ncsc3c2c
    1C=Nc4ccc(cc4)[S](=O)(=O)Nc5ccccn5; c1cc
    nc(c1)NS(=O)(=O)c2ccc(cc2)/N=C/c3c4c(ccc
    5c4scn5)[nH]c3O    		 4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide
    26749 L1O
    CHEMBL401484
    ZINC000016052609    		 1 C9 H9 Cl2 N O3 InChI=1S/C9H9Cl2NO3/c10-6
    -3-5(9(13)14)4-7(11)8(6)1
    5-2-1-12/h3-4H,1-2,12H2,(
    H,13,14);
    BCUWXCINVFOVDJ-UHFFFAOYSA-N    		 c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O; NCCOc1c(Cl
    )cc(cc1Cl)C(O)=O; Clc1cc(cc(Cl)c1OCCN)C(
    =O)O    		 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid
    26750 L1P
    DB03402
    ZINC000058638721    		 0 C43 H89 O6 P InChI=1S/C43H89O6P/c1-35(
    2)17-11-19-37(5)21-13-23-
    39(7)25-15-27-41(9)29-31-
    47-33-43(34-49-50(44,45)4
    6)48-32-30-42(10)28-16-26
    -40(8)24-14-22-38(6)20-12
    -18-36(3)4/h35-43H,11-34H
    2,1-10H3,(H2,44,45,46)/t3
    7-,38-,39-,40-,41-,42-,43
    +/m1/s1;
    UKQGAMWGTOTQPC-ALOLAALWSA-N    		 CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(
    O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C; O=P(O
    )(O)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)CO
    CCC(C)CCCC(C)CCCC(C)CCCC(C)C; CC(C)CCC[C
    H](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](
    O)(O)=O)OCC[CH](C)CCC[CH](C)CCC[CH](C)CC
    CC(C)C; CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC
    [C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H]
    (C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C; CC(C)
    CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC
    [C@@H](CO[P](O)(O)=O)OCC[C@H](C)CCC[C@H]
    (C)CCC[C@H](C)CCCC(C)C    		 3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL;
    1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCERO-3-PHOSPHATE
    26751 L1Q 2 C9 H9 F4 N O2 S InChI=1S/C9H9F4NO2S/c1-2-
    3-4-5(10)7(12)9(17(14,15)
    16)8(13)6(4)11/h2-3H2,1H3
    ,(H2,14,15,16);
    QCRSPYSAXKPYLP-UHFFFAOYSA-N    		 CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F; CCCc1
    c(F)c(F)c(c(F)c1F)[S](N)(=O)=O    		 2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide
    26752 L1R
    CHEMBL398428
    DB08072
    ZINC000028966930    		 1 C18 H20 Cl2 N2 O3 InChI=1S/C18H20Cl2N2O3/c1
    -11(2)25-14-5-3-4-13(10-1
    4)22-18(23)12-8-15(19)17(
    16(20)9-12)24-7-6-21/h3-5
    ,8-11H,6-7,21H2,1-2H3,(H,
    22,23);
    AYKUIRSGEMLIFT-UHFFFAOYSA-N    		 CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCC
    N)Cl; CC(C)Oc1cccc(NC(=O)c2cc(Cl)c(OCCN)
    c(Cl)c2)c1; Clc1cc(cc(Cl)c1OCCN)C(=O)Nc2
    cccc(OC(C)C)c2    		 4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE
    26753 L1S 5 C25 H23 N7 O4 InChI=1S/C25H23N7O4/c1-36
    -24(35)17-13-27-25(28-14-
    17)32-11-9-31(10-12-32)23
    (34)16-7-5-15(6-8-16)22-2
    9-19-4-2-3-18(21(26)33)20
    (19)30-22/h2-8,13-14H,9-1
    2H2,1H3,(H2,26,33)(H,29,3
    0);
    ASPUHGRKEUIGTD-UHFFFAOYSA-N    		 O=C(c5c4nc(c3ccc(C(N2CCN(c1ncc(cn1)C(OC)
    =O)CC2)=O)cc3)nc4ccc5)N; COC(=O)c1cnc(nc
    1)N2CCN(CC2)C(=O)c3ccc(cc3)c4[nH]c5c(ccc
    c5n4)C(=O)N; COC(=O)c1cnc(nc1)N2CCN(CC2)
    C(=O)c3ccc(cc3)c4[nH]c5c(cccc5C(N)=O)n4    		 methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate
    26754 L1T 5 C12 H12 N2 S InChI=1S/C12H12N2S/c1-8-7
    -10(12(13)14)15-11(8)9-5-
    3-2-4-6-9/h2-7H,1H3,(H3,1
    3,14);
    ZXOKKHBVRCNRTH-UHFFFAOYSA-N    		 Cc1cc(sc1c2ccccc2)C(=N)N; Cc1cc(sc1c2ccc
    cc2)C(N)=N; [H]/N=C(\c1cc(c(s1)c2ccccc2)
    C)/N    		 4-methyl-5-phenyl-thiophene-2-carboximidamide
    26755 L1U 4 C12 H15 As N6 O S2 InChI=1S/C12H15AsN6OS2/c1
    4-10-17-11(15)19-12(18-10
    )16-8-3-1-7(2-4-8)13-21-6
    -9(5-20)22-13/h1-4,9,20H,
    5-6H2,(H5,14,15,16,17,18,
    19)/t9-,13+/m1/s1;
    JCYZMTMYPZHVBF-RNCFNFMXSA-N    		 c1cc(ccc1Nc2nc(nc(n2)N)N)[As]3SC[C@H](S3
    )CO; Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH](C
    O)S3)n1; c1cc(ccc1Nc2nc(nc(n2)N)N)[As]3S
    CC(S3)CO; Nc1nc(N)nc(Nc2ccc(cc2)[As@]3SC
    [C@@H](CO)S3)n1    		 [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
    26756 L1V 8 C15 H16 O5 InChI=1S/C15H16O5/c16-13(
    17)8-11-2-1-3-12(11)14(18
    )9-4-6-10(7-5-9)15(19)20/
    h4-7,11-12H,1-3,8H2,(H,16
    ,17)(H,19,20)/t11-,12+/m0
    /s1;
    AIBKYDBZFDNIIN-NWDGAFQWSA-N    		 c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2CC(=O)O)C(
    =O)O; OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(cc2
    )C(O)=O; c1cc(ccc1C(=O)C2CCCC2CC(=O)O)C(
    =O)O; OC(=O)C[C@@H]1CCC[C@H]1C(=O)c2ccc(
    cc2)C(O)=O; C1CC(C(CC(=O)O)C1)C(c2ccc(cc
    2)C(O)=O)=O    		 4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
    26757 L1W 1 C39 H38 N6 O4 InChI=1S/C39H38N6O4/c1-2-
    35(47)40-29-14-17-32-34(2
    3-29)45(39(49)42-32)30-18
    -20-44(21-19-30)24-26-8-1
    2-28(13-9-26)36-37(27-6-4
    -3-5-7-27)43-38(48)33(41-
    36)22-25-10-15-31(46)16-1
    1-25/h3-17,23,30,46H,2,18
    -22,24H2,1H3,(H,40,47)(H,
    42,49)(H,43,48);
    LMPCSGMPKCSYTR-UHFFFAOYSA-N    		 CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)C
    c4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(cc6)O)
    c7ccccc7; CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC
    3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(O)c
    c6)c7ccccc7)c2c1    		 ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
    26758 L1X
    CHEMBL3545307
    DB12381
    ZINC000095926668    		 2 C30 H22 F2 N6 O3 InChI=1S/C30H22F2N6O3/c1-
    17-3-9-23(30(40)38(17)22-
    7-4-20(31)5-8-22)29(39)36
    -21-6-10-27(25(32)12-21)4
    1-28-11-18-16-35-37(2)26(
    18)13-24(28)19-14-33-34-1
    5-19/h3-16H,1-2H3,(H,33,3
    4)(H,36,39);
    QHADVLVFMKEIIP-UHFFFAOYSA-N    		 CC1=CC=C(C(=O)N1c2ccc(cc2)F)C(=O)Nc3ccc(
    c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C; Cn1n
    cc2cc(Oc3ccc(NC(=O)C4=CC=C(C)N(C4=O)c5cc
    c(F)cc5)cc3F)c(cc12)c6c[nH]nc6; Fc1ccc(c
    c1)N2C(=CC=C(C2=O)C(=O)Nc6ccc(Oc3cc5c(cc
    3c4cnnc4)n(nc5)C)c(F)c6)C    		 N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
    26759 L1Y 8 C15 H16 O5 InChI=1S/C15H16O5/c16-13(
    17)8-11-2-1-3-12(11)14(18
    )9-4-6-10(7-5-9)15(19)20/
    h4-7,11-12H,1-3,8H2,(H,16
    ,17)(H,19,20)/t11-,12+/m1
    /s1;
    AIBKYDBZFDNIIN-NEPJUHHUSA-N    		 OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(cc2)C(O)=
    O; c1cc(ccc1C(=O)[C@H]2CCC[C@@H]2CC(=O)O
    )C(=O)O; OC(=O)C[C@H]1CCC[C@@H]1C(=O)c2c
    cc(cc2)C(O)=O; c1cc(ccc1C(=O)C2CCCC2CC(=
    O)O)C(=O)O; C1(C(CCC1)CC(=O)O)C(c2ccc(cc
    2)C(O)=O)=O    		 4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
    26760 L1Z 1 C33 H34 N6 O3 InChI=1S/C33H34N6O3/c1-3-
    29(40)35-25-13-14-27-28(1
    9-25)39(33(42)36-27)26-15
    -17-38(18-16-26)20-22-9-1
    1-24(12-10-22)31-30(23-7-
    5-4-6-8-23)34-21(2)32(41)
    37-31/h4-14,19,26H,3,15-1
    8,20H2,1-2H3,(H,35,40)(H,
    36,42)(H,37,41);
    HCHZPUXPCDNSSQ-UHFFFAOYSA-N    		 CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(c
    c4)C5=C(N=C(C)C(=O)N5)c6ccccc6)c2c1; CCC
    (=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4c
    cc(cc4)C5=C(N=C(C(=O)N5)C)c6ccccc6    		 ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
    26761 L20
    CHEMBL379300
    DB08073
    ZINC000016052239    		 5 C24 H23 N5 O InChI=1S/C24H23N5O/c1-15-
    22-10-16(6-7-24(22)29-28-
    15)17-9-20(13-26-11-17)30
    -14-19(25)8-18-12-27-23-5
    -3-2-4-21(18)23/h2-7,9-13
    ,19,27H,8,14,25H2,1H3,(H,
    28,29)/t19-/m0/s1;
    YWTBGJGMTBHQTM-IBGZPJMESA-N    		 Cc1n[nH]c2ccc(cc12)c3cncc(OC[CH](N)Cc4c[
    nH]c5ccccc45)c3; Cc1c2cc(ccc2[nH]n1)c3cc
    (cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N; Cc1n[
    nH]c2ccc(cc12)c3cncc(OC[C@@H](N)Cc4c[nH]
    c5ccccc45)c3; Cc1c2cc(ccc2[nH]n1)c3cc(cn
    c3)OCC(Cc4c[nH]c5c4cccc5)N; n2c(c1cc(ccc
    1n2)c5cc(OCC(N)Cc4c3ccccc3nc4)cnc5)C    		 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
    26762 L21
    DB08074
    ZINC000000002209    		 1 C10 H13 N5 InChI=1S/C10H13N5/c1-7(2)
    3-4-15-6-14-9(11)8-10(15)
    13-5-12-8/h3,5-6H,4,11H2,
    1-2H3;
    BEPGTHDUUROBHM-UHFFFAOYSA-N    		 CC(=CCn1cnc(c-2ncnc12)N)C; CC(C)=CCn1cnc
    (N)c2ncnc12; N=1C2=C(N=CN(C2=NC=1)C\C=C(
    /C)C)N    		 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine
    26763 L22
    DB08075
    ZINC000034099696    		 2 C7 H7 N5 S InChI=1S/C7H7N5S/c8-6-10-
    2-1-4(11-6)5-3-13-7(9)12-
    5/h1-3H,(H2,9,12)(H2,8,10
    ,11);
    FHERIFNAOMUFRM-UHFFFAOYSA-N    		 n1c(nccc1c2nc(sc2)N)N; c1cnc(nc1c2csc(n2
    )N)N; Nc1scc(n1)c2ccnc(N)n2    		 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine
    26764 L23
    CHEMBL1233922
    DB08076
    ZINC000002557486    		 2 C15 H13 Cl2 N5 InChI=1S/C15H13Cl2N5/c1-9
    -20-14(13-5-6-19-15(18)21
    -13)8-22(9)7-10-11(16)3-2
    -4-12(10)17/h2-6,8H,7H2,1
    H3,(H2,18,19,21);
    CKSSZTMRRVJNNG-UHFFFAOYSA-N    		 Clc1c(c(Cl)ccc1)Cn2cc(nc2C)c3nc(ncc3)N;
    Cc1nc(cn1Cc2c(Cl)cccc2Cl)c3ccnc(N)n3; Cc
    1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N    		 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
    26765 L24
    DB04322
    ZINC000001637602    		 1 C21 H25 N5 O6 InChI=1S/C21H25N5O6/c22-2
    1-25-17-14(19(30)26-21)9-
    12(10-23-17)2-1-11-3-5-13
    (6-4-11)18(29)24-15(20(31
    )32)7-8-16(27)28/h3-6,12,
    15H,1-2,7-10H2,(H,24,29)(
    H,27,28)(H,31,32)(H4,22,2
    3,25,26,30)/t12-,15-/m0/s
    1;
    ZUQBAQVRAURMCL-WFASDCNBSA-N    		 c1cc(ccc1CCC2Cc3c(nc(nc3O)N)NC2)C(=O)NC(
    CCC(=O)O)C(=O)O; O=C(O)C(NC(=O)c1ccc(cc1
    )CCC3Cc2c(nc(nc2NC3)N)O)CCC(=O)O; Nc1nc(
    O)c2C[CH](CCc3ccc(cc3)C(=O)N[CH](CCC(O)=
    O)C(O)=O)CNc2n1; Nc1nc(O)c2C[C@H](CCc3cc
    c(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2n
    1; c1cc(ccc1CC[C@H]2Cc3c(nc(nc3O)N)NC2)C
    (=O)N[C@@H](CCC(=O)O)C(=O)O    		 [[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID;
    LY249543
    26766 L25
    CHEMBL4762147    		 1 C22 H27 N3 O6 S InChI=1S/C22H27N3O6S/c1-1
    4-20-16(5-3-4-6-18(20)26)
    21(23-14)22(27)24-17-13-1
    5(7-8-19(17)30-2)32(28,29
    )25-9-11-31-12-10-25/h7-8
    ,13,23H,3-6,9-12H2,1-2H3,
    (H,24,27);
    DDHSJBNVVYBOFE-UHFFFAOYSA-N    		 Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=
    O)N4CCOCC4)CCCCC2=O; COc1ccc(cc1NC(=O)c2
    [nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCOC
    C4    		 ~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
    26767 L26
    CHEMBL3786260
    ZINC000076516618    		 1 C18 H21 N3 O4 InChI=1S/C18H21N3O4/c1-4-
    14-16(11(3)22)10(2)20-17(
    14)18(24)21-12-6-5-7-13(8
    -12)25-9-15(19)23/h5-8,20
    H,4,9H2,1-3H3,(H2,19,23)(
    H,21,24);
    CSXFLOZZMPSMKL-UHFFFAOYSA-N    		 CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C
    )C(=O)C; CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2
    cccc(OCC(N)=O)c2; c1(cc(ccc1)NC(c2c(c(C(
    C)=O)c(C)n2)CC)=O)OCC(N)=O    		 4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
    26768 L27
    ZINC000100361354    		 2 C35 H37 N3 O6 InChI=1S/C35H37N3O6/c39-3
    1(30(17-23-9-3-1-4-10-23)
    38-34(42)44-25-15-16-43-2
    2-25)19-35(18-24-11-5-2-6
    -12-24)32(40)29(21-37-35)
    28-20-36-33(41)27-14-8-7-
    13-26(27)28/h1-14,21,25,2
    8,30-31,37,39H,15-20,22H2
    ,(H,36,41)(H,38,42)/t25-,
    28+,30-,31-,35-/m0/s1;
    BFWPVLSACSESSM-VHGZSVTHSA-N    		 O[C@@H](C[C@]1(Cc2ccccc2)NC=C([C@@H]3CNC
    (=O)c4ccccc34)C1=O)[C@H](Cc5ccccc5)NC(=O
    )O[C@H]6CCOC6; c1ccc(cc1)C[C@@H]([C@H](C
    [C@]2(C(=O)C(=CN2)[C@@H]3CNC(=O)c4c3cccc
    4)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6; c1ccc(
    cc1)CC(C(CC2(C(=O)C(=CN2)C3CNC(=O)c4c3cc
    cc4)Cc5ccccc5)O)NC(=O)OC6CCOC6; O[CH](C[
    C]1(Cc2ccccc2)NC=C([CH]3CNC(=O)c4ccccc34
    )C1=O)[CH](Cc5ccccc5)NC(=O)O[CH]6CCOC6;
    O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C
    (=CN3)C5c4ccccc4C(=O)NC5)Cc6ccccc6    		 {1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2- HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER;
    LDC271 INHIBITOR
    26769 L28
    CHEMBL3785713
    ZINC000263620293    		 1 C19 H26 N4 O5 S InChI=1S/C19H26N4O5S/c1-5
    -13-16(18(20)25)11(4)21-1
    7(13)19(26)22-14-10-12(8-
    9-15(14)24)29(27,28)23(6-
    2)7-3/h8-10,21,24H,5-7H2,
    1-4H3,(H2,20,25)(H,22,26);
    BXFSSYQFFSWQEA-UHFFFAOYSA-N    		 CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]
    c(C)c(C(N)=O)c2CC)c1; CCc1c(c([nH]c1C(=O
    )Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N;
    c1cc(cc(c1O)NC(c2c(c(C(N)=O)c(C)n2)CC)=O
    )S(N(CC)CC)(=O)=O    		 N~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxamide
    26770 L29
    CHEMBL3891386
    ZINC000150344349    		 8 C46 H52 N6 O10 S2 InChI=1S/C46H52N6O10S2/c1
    -31(2)41(45(55)49-57)51(6
    3(59,60)39-22-18-35(19-23
    -39)33-12-7-5-8-13-33)28-
    26-47-43(53)37-16-11-17-3
    8(30-37)44(54)48-27-29-52
    (42(32(3)4)46(56)50-58)64
    (61,62)40-24-20-36(21-25-
    40)34-14-9-6-10-15-34/h5-
    25,30-32,41-42,57-58H,26-
    29H2,1-4H3,(H,47,53)(H,48
    ,54)(H,49,55)(H,50,56)/t4
    1-,42-/m1/s1;
    JPMXJRBHCOULJI-NCRNUEESSA-N    		 O=S(=O)(N(C(C(=O)NO)C(C)C)CCNC(=O)c3cccc
    (C(=O)NCCN(C(C(=O)NO)C(C)C)S(=O)(=O)c2cc
    c(c1ccccc1)cc2)c3)c5ccc(c4ccccc4)cc5; CC
    (C)[CH](N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C
    H](C(C)C)C(=O)NO)[S](=O)(=O)c2ccc(cc2)c3
    ccccc3)[S](=O)(=O)c4ccc(cc4)c5ccccc5)C(=
    O)NO; CC(C)C(C(=O)NO)N(CCNC(=O)c1cccc(c1
    )C(=O)NCCN(C(C(C)C)C(=O)NO)S(=O)(=O)c2cc
    c(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5cccc
    c5; CC(C)[C@H](C(=O)NO)N(CCNC(=O)c1cccc(
    c1)C(=O)NCCN([C@H](C(C)C)C(=O)NO)S(=O)(=
    O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)
    c5ccccc5; CC(C)[C@@H](N(CCNC(=O)c1cccc(c
    1)C(=O)NCCN([C@H](C(C)C)C(=O)NO)[S](=O)(
    =O)c2ccc(cc2)c3ccccc3)[S](=O)(=O)c4ccc(c
    c4)c5ccccc5)C(=O)NO    		 N,N'-bis(2-{(biphenyl-4-ylsulfonyl)[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name)
    26771 L2A
    ZINC000058638722    		 0 C30 H51 N5 O8 InChI=1S/C30H51N5O8/c1-18
    (2)15-20-24(38)33-21(16-1
    9(3)4)26(40)35-30(6,28(42
    )43)14-12-10-8-7-9-11-13-
    29(5,31)27(41)34-22(17-23
    (36)37)25(39)32-20/h7-8,1
    8-22H,9-17,31H2,1-6H3,(H,
    32,39)(H,33,38)(H,34,41)(
    H,35,40)(H,36,37)(H,42,43
    )/b8-7+/t20-,21-,22-,29-,
    30-/m0/s1;
    LHANMAUMFDZWEI-WDKISMIESA-N    		 O=C(O)C1(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C
    (N)(C)CCCC=CCCC1)CC(=O)O)CC(C)C)CC(C)C)C
    ; CC(C)C[CH]1NC(=O)[CH](CC(O)=O)NC(=O)[C
    ](C)(N)CCCC=CCCC[C](C)(NC(=O)[CH](CC(C)C
    )NC1=O)C(O)=O; CC(C)CC1C(=O)NC(CCCC=CCCC
    C(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CC(=O)O
    )(C)N)(C)C(=O)O; CC(C)C[C@@H]1NC(=O)[C@H
    ](CC(O)=O)NC(=O)[C@@](C)(N)CCC\C=C\CCC[C
    @](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(O)=O; C
    C(C)C[C@H]1C(=O)N[C@](CCC\C=C\CCC[C@](C(
    =O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(
    =O)O)(C)N)(C)C(=O)O    		 (2S,5S,8S,11S,15E,20S)-20-amino-2-(carboxymethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxylic acid
    26772 L2B 2 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c12-6
    -3-5(4-18-20(15,16)17)19-
    8(6)11-2-1-7(13)10-9(11)1
    4/h1-2,5-6,8,12H,3-4H2,(H
    ,10,13,14)(H2,15,16,17)/t
    5-,6+,8+/m0/s1;
    SEOHEWZQAGEAGZ-SHYZEUOFSA-N    		 C1C(OC(C1O)N2C=CC(=O)NC2=O)COP(=O)(O)O;
    O[C@@H]1C[C@@H](CO[P](O)(O)=O)O[C@H]1N2C
    =CC(=O)NC2=O; C1[C@H](O[C@H]([C@@H]1O)N2
    C=CC(=O)NC2=O)COP(=O)(O)O; O[CH]1C[CH](C
    O[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O    		 3'-DEOXYURIDINE-5'-MONOPHOSPHATE;
    [(2~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
    26773 L2C
    ZINC000058638724    		 0 C24 H46 O5 InChI=1S/C24H46O5/c1-3-5-
    7-9-11-12-13-15-16-18-23(
    26)28-21-22(20-25)29-24(2
    7)19-17-14-10-8-6-4-2/h22
    ,25H,3-21H2,1-2H3/t22-/m0
    /s1;
    MYFVXYUACRBWGD-QFIPXVFZSA-N    		 CCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCC
    ; CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC;
    O=C(OC(COC(=O)CCCCCCCCCCC)CO)CCCCCCCC;
    CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
    C    		 (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE
    26774 L2D 2 C22 H26 Fe N4 O4 InChI=1S/C22H28N4O4.Fe/c2
    7-21(28)15-25(13-17-7-3-5
    -11-23-17)19-9-1-2-10-20(
    19)26(16-22(29)30)14-18-8
    -4-6-12-24-18;/h3-8,11-12
    ,19-20H,1-2,9-10,13-16H2,
    (H,27,28)(H,29,30);/q;+2/
    p-2/t19-,20-;/m1./s1;
    RHFVCFXUQWXGET-GZJHNZOKSA-L    		 C1CC[C@@H]2[C@@H](C1)[N]34CC5=[N]([Fe]36
    7([N]2(CC8=CC=CC=[N]68)CC(=O)O7)OC(=O)C4
    )C=CC=C5; C1CCC2C(C1)[N]34CC5=[N]([Fe]36
    7([N]2(CC8=CC=CC=[N]68)CC(=O)O7)OC(=O)C4
    )C=CC=C5; O=C1CN|23Cc4ccccn4|[Fe]|5|6|2(
    O1)OC(=O)CN|5(Cc7ccccn|67)[C@@H]8CCCC[C@
    @H]38; O=C6O[Fe]2587OC(=O)CN8(Cc1n2cccc1
    )C3CCCCC3N7(Cc4ccccn45)C6; O=C1CN|23Cc4c
    cccn4|[Fe]|5|6|2(O1)OC(=O)CN|5(Cc7ccccn|
    67)[CH]8CCCC[CH]38    		 {2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron;
    Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine
    26775 L2E
    CHEMBL223256    		 0 C25 H28 O6 InChI=1S/C25H28O6/c1-14(2
    )5-4-6-15(3)7-9-17-19(27)
    12-23-24(25(17)30)21(29)1
    3-22(31-23)16-8-10-18(26)
    20(28)11-16/h5,7-8,10-12,
    22,26-28,30H,4,6,9,13H2,1
    -3H3/b15-7+/t22-/m0/s1;
    XCYSQFHYFNWYFP-CEMXSPGASA-N    		 CC(C)=CCCC(C)=CCc1c(O)cc2O[CH](CC(=O)c2c
    1O)c3ccc(O)c(O)c3; CC(=CCCC(=CCc1c(cc2c(
    c1O)C(=O)CC(O2)c3ccc(c(c3)O)O)O)C)C; CC(
    =CCC/C(=C/Cc1c(cc2c(c1O)C(=O)C[C@H](O2)c
    3ccc(c(c3)O)O)O)/C)C; CC(C)=CCC\C(C)=C\C
    c1c(O)cc2O[C@@H](CC(=O)c2c1O)c3ccc(O)c(O
    )c3; O=C2c3c(O)c(c(O)cc3OC(c1ccc(O)c(O)c
    1)C2)C\C=C(/C)CC\C=C(/C)C    		 (2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one
    26776 L2F 4 C27 H31 N3 O4 S InChI=1S/C27H31N3O4S/c1-3
    -18(2)26(30-35(33,34)25-1
    4-8-10-19-9-4-5-12-23(19)
    25)27(32)29-21(17-31)15-2
    0-16-28-24-13-7-6-11-22(2
    0)24/h4-14,16,18,21,26,28
    ,30-31H,3,15,17H2,1-2H3,(
    H,29,32)/t18-,21-,26-/m0/
    s1;
    WGQRDHFZEVLIFE-JCWFFFCVSA-N    		 CC[CH](C)[CH](N[S](=O)(=O)c1cccc2ccccc12
    )C(=O)N[CH](CO)Cc3c[nH]c4ccccc34; CC[C@H
    ](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc
    2)CO)NS(=O)(=O)c3cccc4c3cccc4; CC[C@H](C
    )[C@H](N[S](=O)(=O)c1cccc2ccccc12)C(=O)N
    [C@H](CO)Cc3c[nH]c4ccccc34; CCC(C)C(C(=O
    )NC(Cc1c[nH]c2c1cccc2)CO)NS(=O)(=O)c3ccc
    c4c3cccc4    		 N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol;
    (2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
    26777 L2G
    CHEMBL197603    		 2 C34 H39 N9 O3 InChI=1S/C34H39N9O3/c1-21
    (44)41-14-16-42(17-15-41)
    24-9-11-25(12-10-24)43-33
    -30(32(35)36-20-37-33)31(
    39-43)23-8-13-26(29(19-23
    )46-3)38-34(45)28-18-22-6
    -4-5-7-27(22)40(28)2/h4-8
    ,13,18-20,24-25H,9-12,14-
    17H2,1-3H3,(H,38,45)(H2,3
    5,36,37)/t24-,25-;
    ZMNWFTYYYCSSTF-SOAUALDESA-N    		 COc1cc(ccc1NC(=O)c2cc3ccccc3n2C)c4nn([CH
    ]5CC[CH](CC5)N6CCN(CC6)C(C)=O)c7ncnc(N)c
    47; O=C(c2cc1ccccc1n2C)Nc3ccc(cc3OC)c5nn
    (c4ncnc(N)c45)C7CCC(N6CCN(C(=O)C)CC6)CC7
    ; CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c
    5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4
    )N; COc1cc(ccc1NC(=O)c2cc3ccccc3n2C)c4nn
    ([C@H]5CC[C@@H](CC5)N6CCN(CC6)C(C)=O)c7n
    cnc(N)c47    		 N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE
    26778 L2H
    ZINC000098209094    		 0 C32 H34 N10 O8 InChI=1S/C32H34N10O8/c1-1
    5-23-31-38-20(12-48-31)26
    (44)35-17(7-3-5-9-33)27-3
    9-22(13-46-27)29-40-21(14
    -47-29)28-37-19(11-45-28)
    25(43)36-18(8-4-6-10-34)3
    0-41-24(16(2)49-30)32(42-
    23)50-15/h11-14,17-18H,3-
    10,33-34H2,1-2H3,(H,35,44
    )(H,36,43)/t17-,18-/m0/s1;
    VFOYOVBIUSPROZ-ROUUACIJSA-N    		 Cc1oc2nc1c3oc(C)c(n3)c4occ(n4)C(=O)N[CH]
    (CCCCN)c5occ(n5)c6occ(n6)c7occ(n7)C(=O)N
    [CH]2CCCCN; Cc1oc2nc1c3oc(C)c(n3)c4occ(n
    4)C(=O)N[C@@H](CCCCN)c5occ(n5)c6occ(n6)c
    7occ(n7)C(=O)N[C@H]2CCCCN; Cc1c-2nc(o1)-
    c3c(oc(n3)[C@@H](NC(=O)c4coc(n4)-c5coc(n
    5)-c6coc(n6)[C@@H](NC(=O)c7coc2n7)CCCCN)
    CCCCN)C; Cc1c-2nc(o1)-c3c(oc(n3)C(NC(=O)
    c4coc(n4)-c5coc(n5)-c6coc(n6)C(NC(=O)c7c
    oc2n7)CCCCN)CCCCN)C; O=C5NC(c1nc(c(o1)C)
    c2oc(c(n2)c3occ(n3)C(=O)NC(c7nc(c4nc(co4
    )c6nc5co6)co7)CCCCN)C)CCCCN    		 (12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2. 1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode caene-10,25-dione;
    Telomestatin derivative
    26779 L2I 1 C16 H19 N3 O InChI=1S/C16H19N3O/c1-17-
    11-9-15(13-6-3-2-4-7-13)1
    6(20)19-14-8-5-10-18-12-1
    4/h2-8,10,12,15,17H,9,11H
    2,1H3,(H,19,20)/t15-/m0/s
    1;
    AMGHFKIRDXLNJU-HNNXBMFYSA-N    		 CNCC[CH](C(=O)Nc1cccnc1)c2ccccc2; O=C(Nc
    1cccnc1)C(CCNC)c1ccccc1; CNCC[C@@H](c1cc
    ccc1)C(=O)Nc2cccnc2; CNCCC(c1ccccc1)C(=O
    )Nc2cccnc2; CNCC[C@H](C(=O)Nc1cccnc1)c2c
    cccc2    		 (2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide
    26780 L2J
    CHEMBL4450419    		 2 C25 H23 F3 N2 O5 S InChI=1S/C25H23F3N2O5S/c2
    6-25(27,28)35-16-12-14-17
    (15-13-16)36(32,33)29-18-
    6-5-9-21(24(18)31)30-19-7
    -1-3-10-22(19)34-23-11-4-
    2-8-20(23)30/h1-4,7-8,10-
    15,18,21,24,29,31H,5-6,9H
    2/t18-,21+,24+/m1/s1;
    WGKGADVPRVLHHZ-ZHRMCQFGSA-N    		 c1ccc2c(c1)N(c3ccccc3O2)C4CCCC(C4O)NS(=O
    )(=O)c5ccc(cc5)OC(F)(F)F; O[CH]1[CH](CCC
    [CH]1N2c3ccccc3Oc4ccccc24)N[S](=O)(=O)c5
    ccc(OC(F)(F)F)cc5; c1ccc2c(c1)N(c3ccccc3
    O2)[C@H]4CCC[C@H]([C@@H]4O)NS(=O)(=O)c5c
    cc(cc5)OC(F)(F)F; O[C@H]1[C@@H](CCC[C@@H
    ]1N2c3ccccc3Oc4ccccc24)N[S](=O)(=O)c5ccc
    (OC(F)(F)F)cc5; c3cc2N(c1ccccc1Oc2cc3)C4
    CCCC(C4O)NS(c5ccc(cc5)OC(F)(F)F)(=O)=O    		 N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide
    26781 L2K
    ZINC000000092395    		 3 C11 H10 F2 N4 InChI=1S/C11H10F2N4/c12-8
    -2-1-7(5-9(8)13)10-6-17-4
    -3-14-11(17)16-15-10/h1-2
    ,5H,3-4,6H2,(H,14,16);
    HQCSFWFWWSDEFP-UHFFFAOYSA-N    		 Fc1ccc(cc1F)C2=NNC3=NCCN3C2; c1cc(c(cc1C
    2=NNC3=NCCN3C2)F)F    		 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine
    26782 L2L
    CHEMBL1741886
    ZINC000008034708    		 30 C H5 N O3 S InChI=1S/CH5NO3S/c2-1-6(3
    ,4)5/h1-2H2,(H,3,4,5);
    OBESRABRARNZJB-UHFFFAOYSA-N    		 C(N)S(=O)(=O)O; NCS(=O)(=O)O; NC[S](O)(=
    O)=O    		 aminomethanesulfonic acid
    26783 L2M 2 C21 H27 Fe N4 O2 InChI=1S/C21H28N4O2.Fe/c1
    -24(14-17-8-4-6-12-22-17)
    19-10-2-3-11-20(19)25(16-
    21(26)27)15-18-9-5-7-13-2
    3-18;/h4-9,12-13,19-20H,2
    -3,10-11,14-16H2,1H3,(H,2
    6,27);/q;+3/p-1/t19-,20-;
    /m0./s1;
    QCJUYONJTMUVGL-FKLPMGAJSA-M    		 C[N]12CC3=CC=CC=[N]3[Fe+2]145[N]6=CC=CC=
    C6C[N]4(CC(=O)O5)C7C2CCCC7; CN12|[Fe++]|
    3|4(OC(=O)CN|3(Cc5ccccn|45)[CH]6CCCC[CH]
    16)|n7ccccc7C2; C[N@]12CC3=CC=CC=[N]3[Fe
    +2]145[N]6=CC=CC=C6C[N@@]4(CC(=O)O5)[C@@
    H]7[C@@H]2CCCC7; CN12|[Fe++]|3|4(OC(=O)C
    N|3(Cc5ccccn|45)[C@H]6CCCC[C@H]16)|n7ccc
    cc7C2; O=C2O[Fe+2]576n1ccccc1CN7(C2)C3CC
    CCC3N6(C)Cc4ccccn45    		 {(R)-N-[(1S,2S)-2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}cyclohexyl]-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+)
    26784 L2N
    CHEMBL4762202    		 1 C23 H30 N4 O5 S InChI=1S/C23H30N4O5S/c1-1
    5-21-17(6-4-5-7-19(21)28)
    22(24-15)23(29)25-18-14-1
    6(8-9-20(18)32-3)33(30,31
    )27-12-10-26(2)11-13-27/h
    8-9,14,24H,4-7,10-13H2,1-
    3H3,(H,25,29);
    AFNYOROEWXANDC-UHFFFAOYSA-N    		 Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=
    O)N4CCN(CC4)C)CCCCC2=O; COc1ccc(cc1NC(=O
    )c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4C
    CN(C)CC4    		 ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
    26785 L2O
    ZINC000005760037    		 0 C7 H15 N O3 InChI=1S/C7H15NO3/c1-4(2)
    3-5(8)6(9)7(10)11/h4-6,9H
    ,3,8H2,1-2H3,(H,10,11)/t5
    -,6+/m1/s1;
    GZLMFCWSEKVVGO-RITPCOANSA-N    		 O=C(O)C(O)C(N)CC(C)C; CC(C)C[C@@H](N)[C@
    H](O)C(O)=O; CC(C)CC(C(C(=O)O)O)N; CC(C)
    C[C@H]([C@@H](C(=O)O)O)N; CC(C)C[CH](N)[
    CH](O)C(O)=O    		 (2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid
    26786 L2P
    DB03646
    ZINC000058638725    		 0 C43 H88 O3 InChI=1S/C43H88O3/c1-35(2
    )17-11-19-37(5)21-13-23-3
    9(7)25-15-27-41(9)29-31-4
    5-34-43(33-44)46-32-30-42
    (10)28-16-26-40(8)24-14-2
    2-38(6)20-12-18-36(3)4/h3
    5-44H,11-34H2,1-10H3/t37-
    ,38-,39-,40-,41-,42-,43-/
    m1/s1;
    ISDBCJSGCHUHFI-UMZPFTBHSA-N    		 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C
    )CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC
    [C@H](C)CCCC(C)C; CC(C)CCCC(C)CCCC(C)CCC
    C(C)CCOCC(CO)OCCC(C)CCCC(C)CCCC(C)CCCC(C
    )C; CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)C
    COC[CH](CO)OCC[CH](C)CCC[CH](C)CCC[CH](C
    )CCCC(C)C; OCC(OCCC(CCCC(CCCC(C)CCCC(C)C
    )C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C    		 2,3-DI-PHYTANYL-GLYCEROL;
    1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL
    26787 L2Q
    CHEMBL4588417    		 1 C40 H54 N2 O8 InChI=1S/C40H54N2O8/c1-46
    -37-18-14-28(26-38(37)47-
    2)13-17-36(29-8-7-9-30(27
    -29)49-25-22-41-20-23-48-
    24-21-41)50-40(45)34-12-5
    -6-19-42(34)39(44)33-15-1
    6-35(43)32-11-4-3-10-31(3
    2)33/h7-9,14,18,26-27,31-
    34,36H,3-6,10-13,15-17,19
    -25H2,1-2H3/t31-,32-,33-,
    34+,36-/m1/s1;
    UGIVXHVIZXJHDG-YGYPXORBSA-N    		 COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCO
    CC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCC(=
    O)[C@H]6[C@H]5CCCC6; COc1ccc(cc1OC)CCC(c
    2cccc(c2)OCCN3CCOCC3)OC(=O)C4CCCCN4C(=O)
    C5CCC(=O)C6C5CCCC6; COc1ccc(CC[C@@H](OC(
    =O)[C@@H]2CCCCN2C(=O)[C@@H]3CCC(=O)[C@@H
    ]4CCCC[C@@H]34)c5cccc(OCCN6CCOCC6)c5)cc1
    OC; COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O
    )[CH]3CCC(=O)[CH]4CCCC[CH]34)c5cccc(OCCN
    6CCOCC6)c5)cc1OC    		 [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate
    26788 L2R
    CHEMBL5272558    		 1 C21 H24 N8 O2 S InChI=1S/C21H24N8O2S/c30-
    20(31)18(28(11-16-9-22-13
    -24-16)12-17-10-23-14-25-
    17)7-4-8-29-19(26-27-21(2
    9)32)15-5-2-1-3-6-15/h1-3
    ,5-6,9-10,13-14,18H,4,7-8
    ,11-12H2,(H,22,24)(H,23,2
    5)(H,27,32)(H,30,31)/t18-
    /m0/s1;
    YWCRDRKNQRFREX-SFHVURJKSA-N    		 c1ccc(cc1)C2=NNC(=S)N2CCCC(C(=O)O)N(Cc3c
    [nH]cn3)Cc4c[nH]cn4; OC(=O)[CH](CCCN1C(=
    S)NN=C1c2ccccc2)N(Cc3c[nH]cn3)Cc4c[nH]cn
    4; c1ccc(cc1)C2=NNC(=S)N2CCC[C@@H](C(=O)
    O)N(Cc3c[nH]cn3)Cc4c[nH]cn4; OC(=O)[C@H]
    (CCCN1C(=S)NN=C1c2ccccc2)N(Cc3c[nH]cn3)C
    c4c[nH]cn4    		 (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid
    26789 L2S
    ZINC000000449964    		 1 C14 H19 N O S InChI=1S/C14H19NOS/c1-12-
    5-7-13(8-6-12)17-11-14(16
    )15-9-3-2-4-10-15/h5-8H,2
    -4,9-11H2,1H3;
    SHRAJQKNTTWFAA-UHFFFAOYSA-N    		 O=C(N1CCCCC1)CSc2ccc(cc2)C; Cc1ccc(SCC(=
    O)N2CCCCC2)cc1; Cc1ccc(cc1)SCC(=O)N2CCCC
    C2    		 1-{[(4-methylphenyl)sulfanyl]acetyl}piperidine
    26790 L2T
    ZINC000066156916    		 4 C36 H39 N3 O5 InChI=1S/C36H39N3O5/c1-25
    -11-9-10-16-30(25)23-37-3
    5(42)32(22-17-27-12-5-3-6
    -13-27)38-36(43)33(26(2)4
    0)39-34(41)29-18-20-31(21
    -19-29)44-24-28-14-7-4-8-
    15-28/h3-16,18-21,26,32-3
    3,40H,17,22-24H2,1-2H3,(H
    ,37,42)(H,38,43)(H,39,41)
    /t26-,32+,33+/m1/s1;
    PXUPYVNAOYVXDS-DJDPXSJISA-N    		 C[C@@H](O)[C@H](NC(=O)c1ccc(OCc2ccccc2)c
    c1)C(=O)N[C@@H](CCc3ccccc3)C(=O)NCc4cccc
    c4C; Cc1ccccc1CNC(=O)[C@H](CCc2ccccc2)NC
    (=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc
    4ccccc4; C[CH](O)[CH](NC(=O)c1ccc(OCc2cc
    ccc2)cc1)C(=O)N[CH](CCc3ccccc3)C(=O)NCc4
    ccccc4C; Cc1ccccc1CNC(=O)C(CCc2ccccc2)NC
    (=O)C(C(C)O)NC(=O)c3ccc(cc3)OCc4ccccc4;
    O=C(NCc1ccccc1C)C(NC(=O)C(NC(=O)c3ccc(OC
    c2ccccc2)cc3)C(O)C)CCc4ccccc4    		 4-(benzyloxy)-N-[(1S,2R)-2-hydroxy-1-({(1S)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide
    26791 L2U 2 C41 H57 N9 O13 S InChI=1S/C41H57N9O13S/c1-
    23(2)20-30(40(59)49(3)31(
    16-18-35(53)54)38(57)45-1
    9-5-4-6-33(43)51)47-39(58
    )32-21-26(42)22-50(32)34(
    52)17-15-29(41(60)61)48-6
    4(62,63)28-13-11-27(12-14
    -28)46-37(56)25-9-7-24(8-
    10-25)36(44)55/h7-14,23,2
    6,29-32,48H,4-6,15-22,42H
    2,1-3H3,(H2,43,51)(H2,44,
    55)(H,45,57)(H,46,56)(H,4
    7,58)(H,53,54)(H,60,61)/t
    26-,29+,30-,31-,32-/m0/s1;
    XGGNDAOPHPLHFW-PVNIVXITSA-N    		 CC(C)C[C@@H](C(=O)N(C)[C@@H](CCC(=O)O)C(
    =O)NCCCCC(=O)N)NC(=O)[C@@H]1C[C@@H](CN1C
    (=O)CC[C@H](C(=O)O)NS(=O)(=O)c2ccc(cc2)N
    C(=O)c3ccc(cc3)C(=O)N)N; CC(C)C[C@H](NC(
    =O)[C@@H]1C[C@H](N)CN1C(=O)CC[C@@H](N[S]
    (=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(N)=O)cc2
    )C(O)=O)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)NC
    CCCC(N)=O; CC(C)C[CH](NC(=O)[CH]1C[CH](N
    )CN1C(=O)CC[CH](N[S](=O)(=O)c2ccc(NC(=O)
    c3ccc(cc3)C(N)=O)cc2)C(O)=O)C(=O)N(C)[CH
    ](CCC(O)=O)C(=O)NCCCCC(N)=O; CC(C)CC(C(=
    O)N(C)C(CCC(=O)O)C(=O)NCCCCC(=O)N)NC(=O)
    C1CC(CN1C(=O)CCC(C(=O)O)NS(=O)(=O)c2ccc(
    cc2)NC(=O)c3ccc(cc3)C(=O)N)N    		 (2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid
    26792 L2V 1 C32 H28 N6 O2 InChI=1S/C32H28N6O2/c1-4-
    33-32(40)30(38-31(39)25-1
    1-13-27-29(19-25)37-21(3)
    20(2)36-27)18-24-7-5-6-22
    (16-24)8-9-23-10-12-26-28
    (17-23)35-15-14-34-26/h5-
    7,10-17,19,30H,4,18H2,1-3
    H3,(H,33,40)(H,38,39)/t30
    -/m1/s1;
    HHORYOJAJULUEH-SSEXGKCCSA-N    		 CCNC(=O)[C@@H](Cc1cccc(c1)C#Cc2ccc3c(c2)
    nccn3)NC(=O)c4ccc5c(c4)nc(c(n5)C)C; CCNC
    (=O)[CH](Cc1cccc(c1)C#Cc2ccc3nccnc3c2)NC
    (=O)c4ccc5nc(C)c(C)nc5c4; CCNC(=O)[C@@H]
    (Cc1cccc(c1)C#Cc2ccc3nccnc3c2)NC(=O)c4cc
    c5nc(C)c(C)nc5c4; CCNC(=O)C(Cc1cccc(c1)C
    #Cc2ccc3c(c2)nccn3)NC(=O)c4ccc5c(c4)nc(c
    (n5)C)C    		 N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide
    26793 L2W
    CHEMBL4787841    		 1 C23 H29 N3 O5 S InChI=1S/C23H29N3O5S/c1-1
    5-21-17(8-4-5-9-19(21)27)
    22(24-15)23(28)25-18-14-1
    6(10-11-20(18)31-2)32(29,
    30)26-12-6-3-7-13-26/h10-
    11,14,24H,3-9,12-13H2,1-2
    H3,(H,25,28);
    GACUWBJOGWUMHF-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc2
    3)[S](=O)(=O)N4CCCCC4; Cc1c2c(c([nH]1)C(
    =O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCC4)CCCCC2
    =O    		 ~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
    26794 L2X 4 C28 H29 N3 O5 InChI=1S/C28H29N3O5/c32-2
    2-13-11-19(12-14-22)15-16
    -29-27(34)24-25(36-24)28(
    35)31-23(17-20-7-3-1-4-8-
    20)26(33)30-18-21-9-5-2-6
    -10-21/h1-14,23-25,32H,15
    -18H2,(H,29,34)(H,30,33)(
    H,31,35)/t23-,24-,25-/m0/
    s1;
    ZMZQYVMNDRBKLO-SDHOMARFSA-N    		 c1ccc(cc1)C[C@@H](C(=O)NCc2ccccc2)NC(=O)
    [C@@H]3[C@H](O3)C(=O)NCCc4ccc(cc4)O; Oc1
    ccc(CCNC(=O)[CH]2O[CH]2C(=O)N[CH](Cc3ccc
    cc3)C(=O)NCc4ccccc4)cc1; Oc1ccc(CCNC(=O)
    [C@H]2O[C@@H]2C(=O)N[C@@H](Cc3ccccc3)C(=
    O)NCc4ccccc4)cc1; c1ccc(cc1)CC(C(=O)NCc2
    ccccc2)NC(=O)C3C(O3)C(=O)NCCc4ccc(cc4)O    		 (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide;
    (2S,3S)-2-N-[(1S)-1-(benzylcarbamoyl)-2-phenylethyl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide
    26795 L2Y 4 C7 H16 F N2 O P InChI=1S/C7H16FN2OP/c1-5-
    10(6-2)7(3)9-12(4,8)11/h5
    -6H2,1-4H3/b9-7+/t12-/m0/
    s1;
    OUJDIWHRYQBZSR-CRALRDPISA-N    		 CCN(CC)C(\C)=N\P(C)(=O)F; CCN(CC)/C(=N/[
    P@](=O)(C)F)/C; CCN(CC)C(C)=N[P](C)(F)=O
    ; CCN(CC)C(C)=N[P@](C)(F)=O; CCN(CC)C(=N
    P(=O)(C)F)C    		 (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride;
    A-230 (Nerve agent)
    26796 L2Z
    CHEMBL4776447    		 1 C23 H27 N3 O6 S InChI=1S/C23H27N3O6S/c1-1
    4-20-16(5-3-4-6-18(20)27)
    21(24-14)22(28)25-17-9-15
    (7-8-19(17)31-2)33(29,30)
    26-10-23(11-26)12-32-13-2
    3/h7-9,24H,3-6,10-13H2,1-
    2H3,(H,25,28);
    FQZLYYSRDPJOHB-UHFFFAOYSA-N    		 Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=
    O)N4CC5(C4)COC5)CCCCC2=O; COc1ccc(cc1NC(
    =O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N
    4CC5(COC5)C4    		 ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
    26797 L30
    ZINC000003157529    		 2 C16 H12 N2 O InChI=1S/C16H12N2O/c19-16
    (13-7-4-10-17-11-13)18-15
    -9-3-6-12-5-1-2-8-14(12)1
    5/h1-11H,(H,18,19);
    OZOFJVFWGZHBHV-UHFFFAOYSA-N    		 O=C(Nc1cccc2ccccc12)c3cccnc3; O=C(Nc1ccc
    c2ccccc21)c1cccnc1; c1ccc2c(c1)cccc2NC(=
    O)c3cccnc3    		 N-(naphthalen-1-yl)pyridine-3-carboxamide
    26798 L31
    ZINC000045337234    		 2 C20 H20 N2 O2 InChI=1S/C20H20N2O2/c1-12
    -6-7-18-17(10-12)16-8-9-2
    2(13(2)23)20(19(16)21-18)
    14-4-3-5-15(24)11-14/h3-7
    ,10-11,20-21,24H,8-9H2,1-
    2H3/t20-/m1/s1;
    ZNGGYWGHJZJJDR-HXUWFJFHSA-N    		 Cc1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)C)c4c
    ccc(c4)O; Cc1ccc2c(c1)c3c([nH]2)[C@H](N(
    CC3)C(=O)C)c4cccc(c4)O; O=C(N4CCc2c1cc(c
    cc1nc2C4c3cccc(O)c3)C)C; CC(=O)N1CCc2c([
    nH]c3ccc(C)cc23)[C@H]1c4cccc(O)c4; CC(=O
    )N1CCc2c([nH]c3ccc(C)cc23)[CH]1c4cccc(O)
    c4    		 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol
    26799 L32
    ZINC000584905596    		 1 C15 H9 Br2 N O3 InChI=1S/C15H9Br2NO3/c16-
    8-1-3-10-11-4-2-9(17)6-13
    (11)15(12(10)5-8)18-21-7-
    14(19)20/h1-6H,7H2,(H,19,
    20);
    SSUCUHRDWSCTFP-UHFFFAOYSA-N    		 c1cc-2c(cc1Br)C(=NOCC(=O)O)c3c2ccc(c3)Br
    ; OC(=O)CON=C1c2cc(Br)ccc2c3ccc(Br)cc13;
    Brc3ccc2c1ccc(cc1C(\c2c3)=N/OCC(O)=O)Br    		 {[(2,7-dibromo-9H-fluoren-9-ylidene)amino]oxy}acetic acid
    26800 L33
    CHEMBL3786456
    ZINC000054852589    		 1 C20 H27 N3 O4 S InChI=1S/C20H27N3O4S/c1-6
    -17-18(14(5)24)13(4)21-19
    (17)20(25)22-15-10-9-11-1
    6(12-15)28(26,27)23(7-2)8
    -3/h9-12,21H,6-8H2,1-5H3,
    (H,22,25);
    MKVQSNKXUKWRMD-UHFFFAOYSA-N    		 CCN(CC)[S](=O)(=O)c1cccc(NC(=O)c2[nH]c(C
    )c(C(C)=O)c2CC)c1; CCc1c(c([nH]c1C(=O)Nc
    2cccc(c2)S(=O)(=O)N(CC)CC)C)C(=O)C; c1cc
    (cc(c1)NC(c2c(c(C(C)=O)c(n2)C)CC)=O)S(N(
    CC)CC)(=O)=O    		 4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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