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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 hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    31201
    OME    		 0 C H3 O InChI=1/CH4O/c1-2/h2H,1H3;
    OKKJLVBELUTLKV-UHFFFAOYAX    		 C[O]; OC METHOXY GROUP
    31202
    OMF    		 1 C13 H8 Cl4 O InChI=1S/C13H8Cl4O/c1-18-
    12-3-2-7(4-9(12)14)8-5-10
    (15)13(17)11(16)6-8/h2-6H
    ,1H3;
    ZPWFINDBNFLFDF-UHFFFAOYSA-N    		 COc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2; COc1
    ccc(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl    		 1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene
    31203
    OMG    		 3 C11 H16 N5 O8 P InChI=1S/C11H16N5O8P/c1-2
    2-7-6(17)4(2-23-25(19,20)
    21)24-10(7)16-3-13-5-8(16
    )14-11(12)15-9(5)18/h3-4,
    6-7,10,17H,2H2,1H3,(H2,19
    ,20,21)(H3,12,14,15,18)/t
    4-,6-,7-,10-/m1/s1;
    YPMKZCOIEXUDSS-KQYNXXCUSA-N    		 CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n
    2cnc3C(=O)NC(=Nc23)N; CO[C@@H]1[C@H](O)[
    C@@H](CO[P](O)(O)=O)O[C@H]1n2cnc3C(=O)NC
    (=Nc23)N; O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)
    C3OC)COP(=O)(O)O; COC1C(C(OC1n2cnc3c2N=C
    (NC3=O)N)COP(=O)(O)O)O; CO[C@@H]1[C@@H](
    [C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)
    (O)O)O    		 O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE
    31204
    OMH
    ZINC000058638471    		 0 C4 H10 N O6 P InChI=1S/C4H10NO6P/c1-10-
    12(8,9)11-2-3(5)4(6)7/h3H
    ,2,5H2,1H3,(H,6,7)(H,8,9)
    /t3-/m0/s1;
    OGIOVQXVFVIGHA-VKHMYHEASA-N    		 O=P(O)(OC)OCC(N)C(=O)O; CO[P@](=O)(O)OC[
    C@@H](C(=O)O)N; CO[P](O)(=O)OC[CH](N)C(O
    )=O; COP(=O)(O)OCC(C(=O)O)N; CO[P@@](O)(
    =O)OC[C@H](N)C(O)=O    		 O-[(S)-hydroxy(methoxy)phosphoryl]-L-serine
    31205
    OMI    		 1 C9 H9 N O InChI=1S/C9H9NO/c1-10-6-9
    (11)7-4-2-3-5-8(7)10/h2-5
    H,6H2,1H3;
    DYPFVQQCYZKNMK-UHFFFAOYSA-N    		 CN1CC(=O)c2ccccc12; CN1CC(=O)c2c1cccc2;
    C1N(c2c(C1=O)cccc2)C    		 1-methyl-1,2-dihydro-3H-indol-3-one
    31206
    OMJ    		 1 C21 H20 N2 O5 InChI=1S/C21H20N2O5/c1-14
    -10-18(7-4-16(14)12-22)28
    -17-5-2-15(3-6-17)11-20(2
    4)23-8-9-27-13-19(23)21(2
    5)26/h2-7,10,19H,8-9,11,1
    3H2,1H3,(H,25,26)/t19-/m0
    /s1;
    AJUGJYIFDAVOIF-IBGZPJMESA-N    		 O=C(C1COCCN1C(=O)Cc3ccc(Oc2cc(C)c(cc2)C#
    N)cc3)O; Cc1cc(Oc2ccc(CC(=O)N3CCOC[C@H]3
    C(O)=O)cc2)ccc1C#N; Cc1cc(ccc1C#N)Oc2ccc
    (cc2)CC(=O)N3CCOC[C@H]3C(=O)O; Cc1cc(Oc2
    ccc(CC(=O)N3CCOC[CH]3C(O)=O)cc2)ccc1C#N;
    Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3
    C(=O)O    		 (3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid
    31207
    OMK
    ZINC000064744163    		 2 C28 H26 Cl F2 N3 O InChI=1S/C28H26ClF2N3O/c1
    -17-7-5-6-10-23(17)33-28(
    35)26(18-8-3-2-4-9-18)34-
    25-16-22(31)21(30)15-24(2
    5)32-27(34)19-11-13-20(29
    )14-12-19/h5-7,10-16,18,2
    6H,2-4,8-9H2,1H3,(H,33,35
    )/t26-/m0/s1;
    LUMVOGPLODDMEP-SANMLTNESA-N    		 Cc1ccccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(c
    c4nc3c5ccc(cc5)Cl)F)F; Cc1ccccc1NC(=O)C(
    C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F
    ; Cc1ccccc1NC(=O)[CH](C2CCCCC2)n3c4cc(F)
    c(F)cc4nc3c5ccc(Cl)cc5; Cc1ccccc1NC(=O)[
    C@H](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(C
    l)cc5; Clc5ccc(c2nc1cc(F)c(F)cc1n2C(C(=O
    )Nc3ccccc3C)C4CCCCC4)cc5    		 (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide
    31208
    OML    		 2 C7 H11 F O5 InChI=1S/C7H11FO5/c8-3-2(
    1-9)4(10)6(12)7(13)5(3)11
    /h4-7,9-13H,1H2/t4-,5+,6+
    ,7+/m1/s1;
    SSCXFYOTIWXWGR-BWBBJGPYSA-N    		 OCC1=C(F)[CH](O)[CH](O)[CH](O)[CH]1O; C(
    C1=C([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)
    F)O; OC1C(CO)=C(F)C(O)C(O)C1O; OCC1=C(F)
    [C@H](O)[C@H](O)[C@@H](O)[C@@H]1O; C(C1=
    C(C(C(C(C1O)O)O)O)F)O    		 (1R,2S,3R,4R)-5-fluoro-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol;
    C5a-fluoro-valienide
    31209
    OMM
    CHEMBL1615152
    ZINC000064744165    		 2 C28 H23 Cl F3 N3 O3 InChI=1S/C28H23ClF3N3O3/c
    29-18-9-6-16(7-10-18)26-3
    3-23-13-19(30)20(31)14-24
    (23)35(26)25(15-4-2-1-3-5
    -15)27(36)34-22-11-8-17(2
    8(37)38)12-21(22)32/h6-15
    ,25H,1-5H2,(H,34,36)(H,37
    ,38)/t25-/m0/s1;
    DGVNGMXASUNRAO-VWLOTQADSA-N    		 c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)
    C(=O)Nc5ccc(cc5F)C(=O)O)F)F)Cl; c1cc(ccc
    1c2nc3cc(c(cc3n2C(C4CCCCC4)C(=O)Nc5ccc(c
    c5F)C(=O)O)F)F)Cl; O=C(O)c1ccc(c(F)c1)NC
    (=O)C(n3c4cc(F)c(F)cc4nc3c2ccc(Cl)cc2)C5
    CCCCC5; OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2
    )n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5)c(F)c1;
    OC(=O)c1ccc(NC(=O)[CH](C2CCCCC2)n3c4cc(
    F)c(F)cc4nc3c5ccc(Cl)cc5)c(F)c1    		 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid
    31210
    OMN
    DB03272    		 2 C12 H6 Br Cl F4 N2 O2 InChI=1S/C12H6BrClF4N2O2/
    c1-20-10(12(16,17)18)8(13
    )9(19-20)5-2-4(11(21)22)6
    (14)3-7(5)15/h2-3H,1H3,(H
    ,21,22);
    YNMHKERYELPEEF-UHFFFAOYSA-N    		 Brc1c(nn(c1C(F)(F)F)C)c2cc(C(=O)O)c(Cl)c
    c2F; Cn1c(c(c(n1)c2cc(c(cc2F)Cl)C(=O)O)B
    r)C(F)(F)F; Cn1nc(c(Br)c1C(F)(F)F)c2cc(C
    (O)=O)c(Cl)cc2F    		 4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL-PYRAZOL
    31211
    OMO
    DB04494    		 18 H2 Mo O3 InChI=1S/Mo.2H2O.O/h;2*1H
    2;/q+8;;;/p-2;
    GKDPEXRCAVYDOG-UHFFFAOYSA-L    		 O[Mo+6](=O)O; O[Mo+6](O)=O; O=[Mo+6](O)O MO(VI)(=O)(OH)2 CLUSTER
    31212
    OMP
    CHEMBL1207358
    DB02957
    ZINC000004095542    		 34 C10 H13 N2 O11 P InChI=1S/C10H13N2O11P/c13
    -5-1-3(9(16)17)12(10(18)1
    1-5)8-7(15)6(14)4(23-8)2-
    22-24(19,20)21/h1,4,6-8,1
    4-15H,2H2,(H,16,17)(H,11,
    13,18)(H2,19,20,21)/t4-,6
    -,7-,8-/m1/s1;
    KYOBSHFOBAOFBF-XVFCMESISA-N    		 C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O
    )O)O)C(=O)O; O[CH]1[CH](O)[CH](O[CH]1CO[
    P](O)(O)=O)N2C(=O)NC(=O)C=C2C(O)=O; C1=C
    (N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](
    O2)COP(=O)(O)O)O)O)C(=O)O; O[C@H]1[C@@H]
    (O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)N
    C(=O)C=C2C(O)=O; O=C(O)C=1N(C(=O)NC(=O)C
    =1)C2OC(C(O)C2O)COP(=O)(O)O    		 OROTIDINE-5'-MONOPHOSPHATE
    31213
    OMR
    ZINC000263621090    		 5 C29 H49 N5 O15 P2 InChI=1S/C29H49N5O15P2/c1
    -2-3-4-5-6-7-8-9-10-11-12
    -13-20(35)48-25-23(37)19(
    47-29(25)39)15-45-51(42,4
    3)49-50(40,41)44-14-18-22
    (36)24(38)28(46-18)34-17-
    33-21-26(30)31-16-32-27(2
    1)34/h16-19,22-25,28-29,3
    6-39H,2-15H2,1H3,(H,40,41
    )(H,42,43)(H2,30,31,32)/t
    18-,19-,22-,23-,24-,25-,2
    8-,29+/m1/s1;
    UIDOGMGTRGOBRS-FMKANDLMSA-N    		 CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O
    [C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@
    H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O;
    OC4OC(COP(=O)(O)OP(OCC3C(C(C(n2c1ncnc(N
    )c1nc2)O3)O)O)(=O)O)C(O)C4OC(=O)CCCCCCCC
    CCCCC; CCCCCCCCCCCCCC(=O)O[CH]1[CH](O)O[
    CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](
    [CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O; C
    CCCCCCCCCCCCC(=O)OC1C(C(OC1O)COP(=O)(O)O
    P(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)
    O; CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O)O[C
    @H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H
    ]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)[C@H
    ]1O    		 [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate
    31214
    OMS    		 2 C38 H50 N6 O9 S InChI=1S/C38H50N6O9S/c1-2
    3-32(40-29-19-25(51-4)13-
    14-27(29)39-23)52-26-20-3
    0-31(45)42-38(34(47)43-54
    (49,50)37(3)17-18-37)21-2
    4(38)11-8-6-5-7-9-12-28(3
    3(46)44(30)22-26)41-35(48
    )53-36(2)15-10-16-36/h8,1
    1,13-14,19,24,26,28,30H,5
    -7,9-10,12,15-18,20-22H2,
    1-4H3,(H,41,48)(H,42,45)(
    H,43,47)/b11-8-/t24-,26-,
    28+,30+,38-/m1/s1;
    PDBMENIRROXLPP-AJUMDJHNSA-N    		 COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH
    ](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)
    (=O)C6(C)CC6)NC(=O)OC7(C)CCC7)nc2c1; COc
    1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C
    @H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=O)C(=O)N
    [S](=O)(=O)C6(C)CC6)NC(=O)OC7(C)CCC7)nc2
    c1; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(
    CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6(CCC6)C)
    C(=O)NS(=O)(=O)C7(CC7)C; Cc1c(nc2cc(ccc2
    n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]
    5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CC
    C6)C)C(=O)NS(=O)(=O)C7(CC7)C; C1(C(CCCCC
    C=CC6C(NC(C2N1CC(C2)Oc4nc3c(ccc(c3)OC)nc
    4C)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6)NC(=O)
    OC7(C)CCC7)=O    		 1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate;
    P4-2 (NR02-61)
    31215
    OMT
    CHEMBL442720
    DB03790
    ZINC000001691392    		 8 C5 H11 N O4 S InChI=1S/C5H11NO4S/c1-11(
    9,10)3-2-4(6)5(7)8/h4H,2-
    3,6H2,1H3,(H,7,8)/t4-/m0/
    s1;
    UCUNFLYVYCGDHP-BYPYZUCNSA-N    		 C[S](=O)(=O)CC[CH](N)C(O)=O; O=S(=O)(C)C
    CC(C(=O)O)N; CS(=O)(=O)CCC(C(=O)O)N; CS(
    =O)(=O)CC[C@@H](C(=O)O)N; C[S](=O)(=O)CC
    [C@H](N)C(O)=O    		 S-DIOXYMETHIONINE
    31216
    OMU
    ZINC000033821450    		 0 C10 H15 N2 O9 P InChI=1S/C10H15N2O9P/c1-1
    9-8-7(14)5(4-20-22(16,17)
    18)21-9(8)12-3-2-6(13)11-
    10(12)15/h2-3,5,7-9,14H,4
    H2,1H3,(H,11,13,15)(H2,16
    ,17,18)/t5-,7-,8-,9-/m1/s
    1;
    FHMMECZNEPGJSJ-ZOQUXTDFSA-N    		 CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[
    C@H]1N2C=CC(=O)NC2=O; CO[CH]1[CH](O)[CH]
    (CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O; O=
    C1NC(=O)N(C=C1)C2OC(C(O)C2OC)COP(=O)(O)O
    ; COC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O
    )O; CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(
    =O)NC2=O)COP(=O)(O)O)O    		 O2'-METHYLURIDINE 5'-MONOPHOSPHATE
    31217
    OMV    		 1 C40 H54 N6 O9 S InChI=1S/C40H54N6O9S/c1-5
    -39(17-11-12-18-39)55-37(
    50)43-30-14-10-8-6-7-9-13
    -26-23-40(26,36(49)45-56(
    51,52)38(3)19-20-38)44-33
    (47)32-22-28(24-46(32)35(
    30)48)54-34-25(2)41-29-16
    -15-27(53-4)21-31(29)42-3
    4/h9,13,15-16,21,26,28,30
    ,32H,5-8,10-12,14,17-20,2
    2-24H2,1-4H3,(H,43,50)(H,
    44,47)(H,45,49)/b13-9-/t2
    6-,28-,30+,32+,40-/m1/s1;
    LKXFEIUKEHYFPB-MLMXUIFMSA-N    		 C4(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O
    )NC6(C(C=CCCCCCC4NC(=O)OC5(CC)CCCC5)C6)C
    (NS(C7(CC7)C)(=O)=O)=O)=O; CCC1(CCCC1)OC
    (=O)N[C@H]2CCCCC\C=C/[C@@H]3C[C@]3(NC(=O
    )[C@@H]4C[C@H](CN4C2=O)Oc5nc6cc(OC)ccc6n
    c5C)C(=O)N[S](=O)(=O)C7(C)CC7; CCC1(CCCC
    1)OC(=O)N[CH]2CCCCCC=C[CH]3C[C]3(NC(=O)[
    CH]4C[CH](CN4C2=O)Oc5nc6cc(OC)ccc6nc5C)C
    (=O)N[S](=O)(=O)C7(C)CC7; CCC1(CCCC1)OC(
    =O)NC2CCCCCC=CC3CC3(NC(=O)C4CC(CN4C2=O)O
    c5c(nc6ccc(cc6n5)OC)C)C(=O)NS(=O)(=O)C7(
    CC7)C; CCC1(CCCC1)OC(=O)N[C@H]2CCCCC/C=C
    \[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2
    =O)Oc5c(nc6ccc(cc6n5)OC)C)C(=O)NS(=O)(=O
    )C7(CC7)C    		 1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate;
    P4-5 (NR01-97)
    31218
    OMW
    CHEMBL5080731    		 1 C15 H10 F5 N O2 InChI=1S/C15H10F5NO2/c16-
    10-4-5-11(13(17)12(10)14(
    21)22)23-7-8-2-1-3-9(6-8)
    15(18,19)20/h1-6H,7H2,(H2
    ,21,22);
    LRFNHIJSGVXHPW-UHFFFAOYSA-N    		 NC(=O)c1c(F)ccc(OCc2cccc(c2)C(F)(F)F)c1F
    ; c1cc(cc(c1)C(F)(F)F)COc2ccc(c(c2F)C(=O
    )N)F    		 2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
    31219
    OMX    		 0 C9 H11 N O4 InChI=1S/C9H11NO4/c10-7(9
    (13)14)8(12)5-1-3-6(11)4-
    2-5/h1-4,7-8,11-12H,10H2,
    (H,13,14)/t7-,8+/m0/s1;
    RKCRKDKQUDBXAU-JGVFFNPUSA-N    		 O=C(O)C(N)C(O)c1ccc(O)cc1; c1cc(ccc1[C@H
    ]([C@@H](C(=O)O)N)O)O; N[C@@H]([C@H](O)c
    1ccc(O)cc1)C(O)=O; c1cc(ccc1C(C(C(=O)O)N
    )O)O; N[CH]([CH](O)c1ccc(O)cc1)C(O)=O    		 (betaR)-beta-hydroxy-L-Tyrosine
    31220
    OMY    		 0 C9 H10 Cl N O4 InChI=1S/C9H10ClNO4/c10-5
    -3-4(1-2-6(5)12)8(13)7(11
    )9(14)15/h1-3,7-8,12-13H,
    11H2,(H,14,15)/t7-,8+/m0/
    s1;
    BACZBJKOFPGENQ-JGVFFNPUSA-N    		 N[C@@H]([C@H](O)c1ccc(O)c(Cl)c1)C(O)=O;
    c1cc(c(cc1[C@H]([C@@H](C(=O)O)N)O)Cl)O;
    c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O; Clc1cc(cc
    c1O)C(O)C(C(=O)O)N; N[CH]([CH](O)c1ccc(O
    )c(Cl)c1)C(O)=O    		 (betaR)-3-chloro-beta-hydroxy-L-tyrosine
    31221
    OMZ    		 0 C9 H10 Cl N O4 InChI=1S/C9H10ClNO4/c10-5
    -3-4(1-2-6(5)12)8(13)7(11
    )9(14)15/h1-3,7-8,12-13H,
    11H2,(H,14,15)/t7-,8-/m1/
    s1;
    BACZBJKOFPGENQ-HTQZYQBOSA-N    		 c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O; Clc1cc(cc
    c1O)C(O)C(C(=O)O)N; N[C@H]([C@H](O)c1ccc
    (O)c(Cl)c1)C(O)=O; c1cc(c(cc1[C@H]([C@H]
    (C(=O)O)N)O)Cl)O; N[CH]([CH](O)c1ccc(O)c
    (Cl)c1)C(O)=O    		 (betaR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE
    31222
    ON0
    ZINC000098209266    		 0 C30 H49 N5 O14 InChI=1S/C30H49N5O14/c31-
    7-13-19(38)20(39)16(34)28
    (43-13)48-24-14(8-36)44-3
    0(22(24)41)49-26-18(37)11
    (32)6-12(33)23(26)46-29-1
    7(35)21(40)25-15(45-29)9-
    42-27(47-25)10-4-2-1-3-5-
    10/h1-5,11-30,36-41H,6-9,
    31-35H2/t11-,12+,13+,14-,
    15-,16-,17-,18+,19-,20-,2
    1-,22-,23-,24-,25-,26-,27
    -,28-,29-,30+/m1/s1;
    BJNRNAHKVYQUCR-CQXNUXSXSA-N    		 c1ccc(cc1)C2OCC3C(O2)C(C(C(O3)OC4C(CC(C(
    C4OC5C(C(C(O5)CO)OC6C(C(C(C(O6)CN)O)O)N)
    O)O)N)N)N)O; c1ccc(cc1)[C@@H]2OC[C@@H]3[
    C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[
    C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([
    C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([
    C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O; NC
    [C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](
    O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3
    O[C@H]4O[C@@H]5CO[C@H](O[C@H]5[C@H](O)[C
    @H]4N)c6ccccc6)[C@@H]2O)[C@H](N)[C@@H](O
    )[C@@H]1O; NC[CH]1O[CH](O[CH]2[CH](CO)O[
    CH](O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[C
    H]4O[CH]5CO[CH](O[CH]5[CH](O)[CH]4N)c6cc
    ccc6)[CH]2O)[CH](N)[CH](O)[CH]1O; O4C(OC
    3C(N)CC(N)C(O)C3OC2OC(CO)C(OC1OC(CN)C(O)
    C(O)C1N)C2O)C(N)C(O)C5OC(OCC45)c6ccccc6    		 (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside
    31223
    ON1
    CHEMBL551212
    ZINC000042920129    		 1 C12 H8 Cl2 N2 O4 InChI=1S/C12H8Cl2N2O4/c13
    -6-2-1-5(3-7(6)14)4-8-15-
    9(12(19)20)10(17)11(18)16
    -8/h1-3,17H,4H2,(H,19,20)
    (H,15,16,18);
    OZDSTVKQUHMIRA-UHFFFAOYSA-N    		 OC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)nc(O)c1O; c
    1cc(c(cc1Cc2nc(c(c(n2)O)O)C(=O)O)Cl)Cl;
    O=C(O)c1nc(nc(O)c1O)Cc2cc(Cl)c(Cl)cc2    		 2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
    31224
    ON2
    CHEMBL4803858    		 1 C16 H15 Cl2 N5 O2 S InChI=1S/C16H15Cl2N5O2S/c
    1-7-12(17)13(18)14(20-7)1
    5(25)23-16-22-9-3-2-8(6-1
    0(9)26-16)21-11(24)4-5-19
    /h2-3,6,20H,4-5,19H2,1H3,
    (H,21,24)(H,22,23,25);
    RVKKBUSSKLNKTC-UHFFFAOYSA-N    		 Cc1c(c(c([nH]1)C(=O)Nc2nc3ccc(cc3s2)NC(=
    O)CCN)Cl)Cl; Cc1[nH]c(C(=O)Nc2sc3cc(NC(=
    O)CCN)ccc3n2)c(Cl)c1Cl    		 N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide
    31225
    ON3
    ZINC000230520713    		 1 C31 H34 O7 InChI=1S/C31H34O7/c1-19-2
    6(35-2)16-22(17-27(19)36-
    3)29(32)28(38-25-14-20-6-
    4-5-7-21(20)15-25)18-37-2
    4-10-8-23(9-11-24)31(12-1
    3-31)30(33)34/h4-11,16-17
    ,25,28-29,32H,12-15,18H2,
    1-3H3,(H,33,34)/t28-,29+/
    m0/s1;
    FVESDCZDESZGHA-URLMMPGGSA-N    		 Cc1c(cc(cc1OC)C(C(COc2ccc(cc2)C3(CC3)C(=
    O)O)OC4Cc5ccccc5C4)O)OC; COc1cc(cc(OC)c1
    C)[C@@H](O)[C@H](COc2ccc(cc2)C3(CC3)C(O)
    =O)OC4Cc5ccccc5C4; Cc1c(cc(cc1OC)[C@H]([
    C@H](COc2ccc(cc2)C3(CC3)C(=O)O)OC4Cc5ccc
    cc5C4)O)OC; COc1cc(cc(OC)c1C)[CH](O)[CH]
    (COc2ccc(cc2)C3(CC3)C(O)=O)OC4Cc5ccccc5C
    4; c1(cc(c(c(c1)OC)C)OC)C(C(COc2ccc(cc2)
    C3(C(O)=O)CC3)OC4Cc5c(C4)cccc5)O    		 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan ecarboxylic acid;
    ONO-3080573
    31226
    ON4    		 1 C37 H48 N6 O9 S InChI=1S/C37H48N6O9S/c1-2
    2-31(39-28-18-24(50-4)12-
    13-26(28)38-22)51-25-19-2
    9-30(44)41-37(33(46)42-53
    (48,49)36(3)16-17-36)20-2
    3(37)10-8-6-5-7-9-11-27(3
    2(45)43(29)21-25)40-34(47
    )52-35(2)14-15-35/h8,10,1
    2-13,18,23,25,27,29H,5-7,
    9,11,14-17,19-21H2,1-4H3,
    (H,40,47)(H,41,44)(H,42,4
    6)/b10-8-/t23-,25-,27+,29
    +,37-/m1/s1;
    NZMACXRFJSDAOU-DHXLEGBSSA-N    		 Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O
    )N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4
    C3)NC(=O)OC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7
    )C; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(
    CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6(CC6)C)C
    (=O)NS(=O)(=O)C7(CC7)C; C5(N1C(CC(C1)Oc3
    nc2cc(OC)ccc2nc3C)C(=O)NC7(C(NS(C4(CC4)C
    )(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6(C)CC6)C
    7)=O; COc1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C
    3)C(=O)[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4
    =O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7(C
    )CC7)nc2c1; COc1ccc2nc(C)c(O[CH]3C[CH]4N
    (C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C
    (=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7(C)CC7
    )nc2c1    		 1-methylcyclopropyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate;
    P4-1 (NR02-24)
    31227
    ON5
    ZINC000013836534    		 2 C20 H33 Cl O4 InChI=1S/C20H33ClO4/c1-2-
    3-6-9-15(22)12-13-17-16(1
    8(21)14-19(17)23)10-7-4-5
    -8-11-20(24)25/h4,7,12-13
    ,15-19,22-23H,2-3,5-6,8-1
    1,14H2,1H3,(H,24,25)/b7-4
    -,13-12+/t15-,16+,17+,18+
    ,19+/m0/s1;
    RDZUDQFNGNUIKH-JZFBHDEDSA-N    		 CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]([C@
    @H]1C/C=C\CCCC(=O)O)Cl)O)O; CCCCC[CH](O)
    C=C[CH]1[CH](O)C[CH](Cl)[CH]1CC=CCCCC(O)
    =O; ClC1CC(O)C(/C=C/C(O)CCCCC)C1C\C=C/CC
    CC(=O)O; CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)
    O)Cl)O)O; CCCCC[C@H](O)\C=C\[C@H]1[C@H](
    O)C[C@@H](Cl)[C@@H]1C\C=C/CCCC(O)=O    		 (Z)-7-[(1R,2R,3R,5R)-5-chloranyl-3-oxidanyl-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
    31228
    ON6    		 1 C22 H15 Cl2 N2 O6 S2 InChI=1S/C22H15Cl2N2O6S2/
    c23-15-2-1-3-16(24)14(15)
    11-34(31,32)13-5-7-20-17(
    10-13)25-22(28)21(33-20)9
    -12-4-6-19(27)18(8-12)26(
    29)30/h1-10,27H,11H2,(H,2
    5,28)(H,29,30)/b21-9-;
    VUSCGLBHGBXFCC-NKVSQWTQSA-N    		 Oc1ccc(C=C2Sc3ccc(cc3NC2=O)[S](=O)(=O)Cc
    4c(Cl)cccc4Cl)cc1[N](O)=O; Oc1ccc(\C=C2/
    Sc3ccc(cc3NC2=O)[S](=O)(=O)Cc4c(Cl)cccc4
    Cl)cc1[N](O)=O; c1cc(c(c(c1)Cl)CS(=O)(=O
    )c2ccc3c(c2)NC(=O)C(=Cc4ccc(c(c4)[N](=O)
    O)O)S3)Cl; c1cc(c(c(c1)Cl)CS(=O)(=O)c2cc
    c3c(c2)NC(=O)/C(=C/c4ccc(c(c4)[N](=O)O)O
    )/S3)Cl    		 (2~{Z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{H}-1,4-benzothiazin-3-one
    31229
    ON7
    ZINC000036436532    		 1 C30 H35 N O7 InChI=1S/C30H35NO7/c1-18-
    26(36-2)12-22(13-27(18)37
    -3)29(34)24(11-19-9-20-7-
    5-6-8-21(20)10-19)16-31-1
    5-23(14-28(32)33)25(17-31
    )30(35)38-4/h5-8,12-13,15
    ,17,19,24,29,34H,9-11,14,
    16H2,1-4H3,(H,32,33)/t24-
    ,29+/m0/s1;
    PMPFDANPLYTSTM-PWUYWRBVSA-N    		 COC(=O)c1cn(C[CH](CC2Cc3ccccc3C2)[CH](O)
    c4cc(OC)c(C)c(OC)c4)cc1CC(O)=O; Cc1c(cc(
    cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(
    c(c4)C(=O)OC)CC(=O)O)O)OC; COC(=O)c1cn(C
    [C@H](CC2Cc3ccccc3C2)[C@H](O)c4cc(OC)c(C
    )c(OC)c4)cc1CC(O)=O; O=C(c1c(cn(c1)CC(C(
    O)c2cc(OC)c(C)c(c2)OC)CC4Cc3ccccc3C4)CC(
    =O)O)OC; Cc1c(cc(cc1OC)C(C(CC2Cc3ccccc3C
    2)Cn4cc(c(c4)C(=O)OC)CC(=O)O)O)OC    		 {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1 H-pyrrol-3-yl}acetic acid;
    ONO9780307
    31230
    ON8    		 0 C5 H12 N4 O2 InChI=1S/C5H12N4O2/c6-4(3
    -10)1-2-11-9-5(7)8/h3-4H,
    1-2,6H2,(H4,7,8,9)/t4-/m0
    /s1;
    UPVLEVGRMHPBJM-BYPYZUCNSA-N    		 [H]/N=C(/N)\NOCC[C@@H](C=O)N; N[C@@H](CC
    ONC(N)=N)C=O; N[CH](CCONC(N)=N)C=O; C(CO
    NC(=N)N)C(C=O)N    		 1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine
    31231
    ON9
    ZINC000230520661    		 1 C32 H37 N O8 InChI=1S/C32H37NO8/c1-19(
    34)30-27(39-2)14-24(15-28
    (30)40-3)31(37)25(13-20-1
    1-21-7-5-6-8-22(21)12-20)
    17-33-16-23(9-10-29(35)36
    )26(18-33)32(38)41-4/h5-8
    ,14-16,18,20,25,31,37H,9-
    13,17H2,1-4H3,(H,35,36)/t
    25-,31+/m0/s1;
    URHZQBASTULQKJ-VVFBEHOQSA-N    		 COC(=O)c1cn(C[CH](CC2Cc3ccccc3C2)[CH](O)
    c4cc(OC)c(C(C)=O)c(OC)c4)cc1CCC(O)=O; CC
    (=O)c1c(cc(cc1OC)C(C(CC2Cc3ccccc3C2)Cn4c
    c(c(c4)C(=O)OC)CCC(=O)O)O)OC; CC(c1c(cc(
    cc1OC)C(C(CC2Cc3c(C2)cccc3)Cn4cc(CCC(=O)
    O)c(C(=O)OC)c4)O)OC)=O; COC(=O)c1cn(C[C@
    H](CC2Cc3ccccc3C2)[C@H](O)c4cc(OC)c(C(C)
    =O)c(OC)c4)cc1CCC(O)=O; CC(=O)c1c(cc(cc1
    OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c
    4)C(=O)OC)CCC(=O)O)O)OC    		 3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid;
    ONO-9910539
    31232
    ONA
    CHEMBL254869
    ZINC000049952164    		 3 C18 H23 N6 O14 P3 InChI=1S/C18H23N6O14P3/c1
    -20-10-5-3-2-4-9(10)18(26
    )36-14-11(6-34-40(30,31)3
    8-41(32,33)37-39(27,28)29
    )35-17(13(14)25)24-8-23-1
    2-15(19)21-7-22-16(12)24/
    h2-5,7-8,11,13-14,17,20,2
    5H,6H2,1H3,(H,30,31)(H,32
    ,33)(H2,19,21,22)(H2,27,2
    8,29)/t11-,13-,14-,17-/m1
    /s1;
    YAPJXKKTHXODSV-LSCFUAHRSA-N    		 O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1
    c(ncnc12)N)C(O)C4OC(=O)c3ccccc3NC; CNc1c
    cccc1C(=O)OC2C(OC(C2O)n3cnc4c3ncnc4N)COP
    (=O)(O)OP(=O)(O)OP(=O)(O)O; CNc1ccccc1C(
    =O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O
    [P](O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34;
    CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@
    @H]2O)n3cnc4c3ncnc4N)CO[P@@](=O)(O)O[P@]
    (=O)(O)OP(=O)(O)O; CNc1ccccc1C(=O)O[C@H]
    2[C@@H](O)[C@@H](O[C@@H]2CO[P](O)(=O)O[P
    ](O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34    		 3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE);
    2'(3')-O-(N-METHYLANTHRANILOYL)-ADENOSINE 5'-TRIPHOSPHATE
    31233
    ONB
    CHEMBL243596
    ZINC000001036792    		 1 C14 H11 N InChI=1S/C14H11N/c1-3-7-1
    3-11(5-1)9-10-12-6-2-4-8-
    14(12)15-13/h1-10,15H;
    LCGTWRLJTMHIQZ-UHFFFAOYSA-N    		 c1ccc2c(c1)C=Cc3ccccc3N2; N1c2ccccc2C=Cc
    3ccccc13; c3cc2c(C=Cc1c(cccc1)N2)cc3    		 5H-dibenzo[b,f]azepine
    31234
    ONC    		 14 C24 H24 N4 O InChI=1S/C24H24N4O/c1-18-
    7-5-6-10-20(18)16-28-23(2
    9)21-17-26(15-19-8-3-2-4-
    9-19)13-11-22(21)27-14-12
    -25-24(27)28/h2-10,12,14H
    ,11,13,15-17H2,1H3;
    AWBSLIQRVCVMFU-UHFFFAOYSA-N    		 Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5c
    cccc5; Cc1c(cccc1)CN4C(C=2CN(CCC=2n3c4nc
    c3)Cc5ccccc5)=O; Cc1ccccc1CN2C(=O)C3=C(C
    CN(Cc4ccccc4)C3)n5ccnc25    		 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one
    31235
    OND
    CHEMBL5186861    		 1 C21 H17 N3 O2 S2 InChI=1S/C21H17N3O2S2/c22
    -15-6-2-1-4-12(15)11-24-2
    1(26)18-9-8-17(27-18)13-5
    -3-7-16-14(13)10-19(28-16
    )20(23)25/h1-10H,11,22H2,
    (H2,23,25)(H,24,26);
    UQZFCZAYARDQIK-UHFFFAOYSA-N    		 NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NCc4ccccc4
    N)c2c1; C(N)(c4cc3c(c1ccc(s1)C(NCc2c(ccc
    c2)N)=O)cccc3s4)=O; c1ccc(c(c1)CNC(=O)c2
    ccc(s2)c3cccc4c3cc(s4)C(=O)N)N    		 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
    31236
    ONE
    ZINC000013516551    		 0 C10 H14 N O8 P InChI=1S/C10H14NO8P/c12-6
    -1-3-11(4-2-6)10-9(14)8(1
    3)7(19-10)5-18-20(15,16)1
    7/h1-4,7-10,13-14H,5H2,(H
    2,15,16,17)/t7-,8-,9-,10-
    /m1/s1;
    SMHHXNJIRLTYFN-ZYUZMQFOSA-N    		 O=C1C=CN(C=C1)C2OC(C(O)C2O)COP(=O)(O)O;
    C1=CN(C=CC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
    ; C1=CN(C=CC1=O)[C@H]2[C@@H]([C@@H]([C@H
    ](O2)COP(=O)(O)O)O)O; O[C@H]1[C@@H](O)[C
    @@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)C=C
    2; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O
    )N2C=CC(=O)C=C2    		 1-(BETA-D-RIBOFURANOSYL)-PYRIDIN-4-ONE-5'-PHOSPHATE
    31237
    ONF    		 3 C15 H23 N O3 InChI=1S/C15H23NO3/c17-14
    (13-9-8-12-16-13)10-6-4-2
    -1-3-5-7-11-15(18)19/h8-9
    ,12,16H,1-7,10-11H2,(H,18
    ,19);
    LRVUVJYTRUNASO-UHFFFAOYSA-N    		 OC(=O)CCCCCCCCCC(=O)c1[nH]ccc1; c1cc([nH
    ]c1)C(=O)CCCCCCCCCC(=O)O    		 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid
    31238
    ONG
    CHEMBL5220579    		 1 C23 H19 N O4 S InChI=1S/C23H19NO4S/c25-1
    9-7-5-15(23(26)24-13-16-3
    -1-2-4-17(16)14-24)11-22(
    19)29-18-6-8-20-21(12-18)
    28-10-9-27-20/h1-8,11-12,
    25H,9-10,13-14H2;
    GNTZGEZCMHJEGG-UHFFFAOYSA-N    		 c54CN(C(c1cc(c(cc1)O)Sc2cc3c(cc2)OCCO3)=
    O)Cc4cccc5; c1ccc2c(c1)CN(C2)C(=O)c3ccc(
    c(c3)Sc4ccc5c(c4)OCCO5)O; Oc1ccc(cc1Sc2c
    cc3OCCOc3c2)C(=O)N4Cc5ccccc5C4    		 {3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone
    31239
    ONH
    ZINC000005113879    		 2 C5 H12 N2 O3 InChI=1S/C5H12N2O3/c6-4(5
    (8)9)2-1-3-7-10/h4,7,10H,
    1-3,6H2,(H,8,9)/t4-/m0/s1;
    OZMJDTPATROLQC-BYPYZUCNSA-N    		 C(CC(C(=O)O)N)CNO; N[CH](CCCNO)C(O)=O; N
    [C@@H](CCCNO)C(O)=O; C(C[C@@H](C(=O)O)N)
    CNO; O=C(O)C(N)CCCNO    		 N~5~-hydroxy-L-ornithine
    31240
    ONJ
    CHEMBL5273198    		 1 C23 H21 N O2 S InChI=1S/C23H21NO2S/c1-15
    -7-9-20(11-16(15)2)27-22-
    12-17(8-10-21(22)25)23(26
    )24-13-18-5-3-4-6-19(18)1
    4-24/h3-12,25H,13-14H2,1-
    2H3;
    AXEQZLWHIYQNKM-UHFFFAOYSA-N    		 Cc1ccc(Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3)cc
    1C; c1(cc(c(cc1)O)Sc2cc(c(cc2)C)C)C(N3Cc
    4c(C3)cccc4)=O; Cc1ccc(cc1C)Sc2cc(ccc2O)
    C(=O)N3Cc4ccccc4C3    		 (1,3-dihydro-2H-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone
    31241
    ONK
    ZINC000098209267    		 2 C27 H50 N4 O5 InChI=1S/C27H50N4O5/c1-10
    -11-12-13-22(32)30-24(18(
    4)5)27(36)28-20(14-15-23(
    33)31(8)9)26(35)29-21(16-
    17(2)3)25(34)19(6)7/h17-1
    8,20-21,24-25,34H,6,10-16
    H2,1-5,7-9H3,(H,28,36)(H,
    29,35)(H,30,32)/t20-,21-,
    24-,25-/m0/s1;
    KBKIHHNRHOTMRE-NBMBROAQSA-N    		 CCCCCC(=O)NC(C(C)C)C(=O)NC(CCC(=O)N(C)C)
    C(=O)NC(CC(C)C)C(C(=C)C)O; CCCCCC(=O)N[C
    @@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=
    O)N[C@@H](CC(C)C)[C@H](C(=C)C)O; CCCCCC(
    =O)N[CH](C(C)C)C(=O)N[CH](CCC(=O)N(C)C)C
    (=O)N[CH](CC(C)C)[CH](O)C(C)=C; CCCCCC(=
    O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)
    C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C(C)=C; O
    =C(NC(CC(C)C)C(O)C(=C)\C)C(NC(=O)C(NC(=O
    )CCCCC)C(C)C)CCC(=O)N(C)C    		 N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide;
    vinylketone carmaphycin analogue VNK1, single bound form
    31242
    ONL
    DB04296
    ZINC000000895890    		 24 C6 H11 N O3 InChI=1S/C6H11NO3/c1-4(8)
    2-3-5(7)6(9)10/h5H,2-3,7H
    2,1H3,(H,9,10)/t5-/m0/s1;
    KSIJECNNZVKMJG-YFKPBYRVSA-N    		 CC(=O)CC[C@@H](C(=O)O)N; O=C(CCC(N)C(=O)
    O)C; CC(=O)CCC(C(=O)O)N; CC(=O)CC[CH](N)
    C(O)=O; CC(=O)CC[C@H](N)C(O)=O    		 5-OXO-L-NORLEUCINE
    31243
    ONM
    CHEMBL403351
    ZINC000049792258    		 56 C18 H23 N6 O15 P3 InChI=1S/C18H23N6O15P3/c1
    -20-9-5-3-2-4-8(9)17(27)3
    7-13-10(6-35-41(31,32)39-
    42(33,34)38-40(28,29)30)3
    6-16(12(13)25)24-7-21-11-
    14(24)22-18(19)23-15(11)2
    6/h2-5,7,10,12-13,16,20,2
    5H,6H2,1H3,(H,31,32)(H,33
    ,34)(H2,28,29,30)(H3,19,2
    2,23,26)/t10-,12-,13-,16-
    /m1/s1;
    DSPRYHPLXXUNHS-XNIJJKJLSA-N    		 CNc1ccccc1C(=O)O[C@H]2[C@@H](O)[C@@H](O[
    C@@H]2CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(
    O)=O)n3cnc4C(=O)NC(=Nc34)N; O=P(O)(O)OP(
    =O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=
    O)C(O)C4OC(=O)c3ccccc3NC; CNc1ccccc1C(=O
    )O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P
    ](O)(=O)O[P](O)(O)=O)n3cnc4C(=O)NC(=Nc34
    )N; CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3N
    =C(NC4=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
    ; CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C
    @@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O
    )O[P@](=O)(O)OP(=O)(O)O    		 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE
    31244
    ONN
    CHEMBL1277623
    ZINC000064447539    		 2 C26 H32 N4 O6 S2 InChI=1S/C26H32N4O6S2/c27
    -21-9-10-37-38-15-22(26(3
    6)28-14-18-4-2-1-3-17(18)
    12-24(33)34)30-23(32)13-1
    9(29-25(21)35)11-16-5-7-2
    0(31)8-6-16/h1-8,19,21-22
    ,31H,9-15,27H2,(H,28,36)(
    H,29,35)(H,30,32)(H,33,34
    )/t19-,21-,22-/m0/s1;
    VZYRMNZEFCZSER-BVSLBCMMSA-N    		 c1ccc(c(c1)CC(=O)O)CNC(=O)[C@@H]2CSSCC[C
    @@H](C(=O)N[C@H](CC(=O)N2)Cc3ccc(cc3)O)N
    ; N[CH]1CCSSC[CH](NC(=O)C[CH](Cc2ccc(O)c
    c2)NC1=O)C(=O)NCc3ccccc3CC(O)=O; N[C@H]1
    CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1
    =O)C(=O)NCc3ccccc3CC(O)=O; c1ccc(c(c1)CC
    (=O)O)CNC(=O)C2CSSCCC(C(=O)NC(CC(=O)N2)C
    c3ccc(cc3)O)N    		 2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid
    31245
    ONO
    ZINC000058638519    		 2 C28 H31 N5 O6 InChI=1S/C28H31N5O6/c1-28
    (2,3)21(14-34)32-25(35)16
    -7-10-18(20(13-16)27(37)3
    8)19-11-12-22(39-4)33-23(
    19)26(36)31-17-8-5-15(6-9
    -17)24(29)30/h5-14,21,24H
    ,29-30H2,1-4H3,(H,31,36)(
    H,32,35)(H,37,38)/t21-/m1
    /s1;
    XTFRBCPDFSHPBF-OAQYLSRUSA-N    		 COc1ccc(c2ccc(cc2C(O)=O)C(=O)N[CH](C=O)C
    (C)(C)C)c(n1)C(=O)Nc3ccc(cc3)C(N)N; O=CC
    (NC(=O)c3ccc(c1c(nc(OC)cc1)C(=O)Nc2ccc(c
    c2)C(N)N)c(C(=O)O)c3)C(C)(C)C; CC(C)(C)C
    (C=O)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(
    =O)Nc3ccc(cc3)C(N)N)OC; CC(C)(C)[C@@H](C
    =O)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O
    )Nc3ccc(cc3)C(N)N)OC; COc1ccc(c2ccc(cc2C
    (O)=O)C(=O)N[C@H](C=O)C(C)(C)C)c(n1)C(=O
    )Nc3ccc(cc3)C(N)N    		 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
    31246
    ONP    		 1 C8 H11 Be F3 N2 O9 P2 InChI=1S/C8H12N2O9P2.Be.3
    FH/c11-10(12)8-4-2-1-3-7(
    8)9-5-6-18-21(16,17)19-20
    (13,14)15;;;;/h1-4,9H,5-6
    H2,(H,16,17)(H2,13,14,15)
    ;;3*1H/q;+3;;;/p-4;
    REAYVLUAJKGPLT-UHFFFAOYSA-J    		 [Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc
    cc1[N+](=O)[O-])(F)(F)F; O[P](=O)(OCCNc1
    ccccc1[N+]([O-])=O)O[P](O)(=O)O[Be-](F)(
    F)F; O[P@](=O)(OCCNc1ccccc1[N+]([O-])=O)
    O[P@@](O)(=O)O[Be-](F)(F)F; [Be-](OP(=O)
    (O)OP(=O)(O)OCCNc1ccccc1[N+](=O)[O-])(F)
    (F)F    		 O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
    31247
    ONQ
    ZINC000000040120    		 7 C10 H12 N2 O3 InChI=1S/C10H12N2O3/c1-15
    -8-4-2-7(3-5-8)10(14)12-6
    -9(11)13/h2-5H,6H2,1H3,(H
    2,11,13)(H,12,14);
    ZKADLOGPYJUFCB-UHFFFAOYSA-N    		 COc1ccc(cc1)C(=O)NCC(=O)N; COc1ccc(cc1)C
    (=O)NCC(N)=O    		 ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide
    31248
    ONR
    CHEMBL4541308
    ZINC000100002813    		 1 C9 H6 Cl N O2 InChI=1S/C9H6ClNO2/c10-6-
    1-2-8(12)7(5-6)9-3-4-11-1
    3-9/h1-5,12H;
    AAJXJLYUWKMQNO-UHFFFAOYSA-N    		 Oc1ccc(Cl)cc1c2oncc2; c1cc(c(cc1Cl)c2ccn
    o2)O    		 4-chloro-2-isoxazol-5-yl-phenol
    31249
    ONS    		 8 C26 H21 Cl2 N3 O4 InChI=1S/C26H21Cl2N3O4/c1
    -31-20-9-8-19(27)23(28)18
    (20)11-21(31)24(32)30-26(
    13-35-14-26)17-6-4-15(5-7
    -17)22(25(33)34)16-3-2-10
    -29-12-16/h2-12,22H,13-14
    H2,1H3,(H,30,32)(H,33,34)
    /t22-/m0/s1;
    LHTXTAIWLHZCIX-QFIPXVFZSA-N    		 Cn1c2ccc(c(c2cc1C(=O)NC3(COC3)c4ccc(cc4)
    [C@@H](c5cccnc5)C(=O)O)Cl)Cl; Cn1c(cc2c(
    Cl)c(Cl)ccc12)C(=O)NC3(COC3)c4ccc(cc4)[C
    @H](C(O)=O)c5cccnc5; Cn1c(cc2c(Cl)c(Cl)c
    cc12)C(=O)NC3(COC3)c4ccc(cc4)[CH](C(O)=O
    )c5cccnc5; OC(=O)C(c1cccnc1)c2ccc(cc2)C5
    (NC(c3cc4c(n3C)ccc(c4Cl)Cl)=O)COC5; Cn1c
    2ccc(c(c2cc1C(=O)NC3(COC3)c4ccc(cc4)C(c5
    cccnc5)C(=O)O)Cl)Cl    		 (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid
    31250
    ONT
    ZINC000019395126    		 8 C6 H15 N O2 InChI=1S/C6H15NO2/c1-6(7)
    5-9-4-3-8-2/h6H,3-5,7H2,1
    -2H3/t6-/m0/s1;
    CMXIILNXYHCYPP-LURJTMIESA-N    		 C[C@@H](COCCOC)N; CC(COCCOC)N; COCCOC[CH
    ](C)N; COCCOC[C@H](C)N    		 (2~{S})-1-(2-methoxyethoxy)propan-2-amine;
    Jeffamine
    31251
    ONU    		 2 C20 H19 N3 O3 InChI=1S/C20H19N3O3/c1-26
    -18-9-5-4-8-17(18)21-13-1
    1-23(12-13)20(25)15-10-19
    (24)22-16-7-3-2-6-14(15)1
    6/h2-10,13,21H,11-12H2,1H
    3,(H,22,24);
    DFIJRDVINKLDBU-UHFFFAOYSA-N    		 COc1ccccc1NC2CN(C2)C(=O)C3=CC(=O)Nc4cccc
    c34; O=C(C1=CC(=O)Nc2ccccc21)N1CC(Nc2ccc
    cc2OC)C1; COc1ccccc1NC2CN(C2)C(=O)C3=CC(
    =O)Nc4c3cccc4    		 4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one
    31252
    ONV
    CHEMBL4554985    		 2 C22 H20 Cl N3 O7 InChI=1S/C22H20ClN3O7/c23
    -15-5-13-6-17(25-16(13)7-
    19(15)32-10-14-8-24-22(31
    )33-14)20(28)26-18(9-27)1
    1-1-3-12(4-2-11)21(29)30/
    h1-7,14,18,25,27H,8-10H2,
    (H,24,31)(H,26,28)(H,29,3
    0)/t14-,18+/m0/s1;
    HSLVBDMYOQHSSR-KBXCAEBGSA-N    		 c1cc(ccc1C(CO)NC(=O)c2cc3cc(c(cc3[nH]2)O
    CC4CNC(=O)O4)Cl)C(=O)O; OC[CH](NC(=O)c1[
    nH]c2cc(OC[CH]3CNC(=O)O3)c(Cl)cc2c1)c4cc
    c(cc4)C(O)=O; OC[C@@H](NC(=O)c1[nH]c2cc(
    OC[C@@H]3CNC(=O)O3)c(Cl)cc2c1)c4ccc(cc4)
    C(O)=O; c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc
    (c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O
    ; C4(COc1c(Cl)cc3c(c1)nc(C(NC(c2ccc(C(=O
    )O)cc2)CO)=O)c3)CNC(O4)=O    		 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid
    31253
    ONW    		 2 C9 H21 N O3 InChI=1S/C9H21NO3/c1-8(10
    )6-13-9(2)7-12-5-4-11-3/h
    8-9H,4-7,10H2,1-3H3/t8-,9
    -/m1/s1;
    JKCPHDAMWZLSSR-RKDXNWHRSA-N    		 COCCOC[CH](C)OC[CH](C)N; CC(COC(C)COCCOC
    )N; COCCOC[C@@H](C)OC[C@@H](C)N; C[C@H](
    CO[C@H](C)COCCOC)N    		 (2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine;
    Jeffamine
    31254
    ONX
    ZINC000584905681    		 0 C40 H79 N O2 InChI=1S/C40H79NO2/c1-4-6
    -8-10-12-14-16-18-20-21-2
    3-25-27-29-31-33-35-37-40
    (43)41-38(3)39(42)36-34-3
    2-30-28-26-24-22-19-17-15
    -13-11-9-7-5-2/h34,36,38-
    39,42H,4-33,35,37H2,1-3H3
    ,(H,41,43)/b36-34+/t38-,3
    9+/m1/s1;
    OIYVZQWNTPVTQS-XWHBQUFFSA-N    		 CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](C
    =CCCCCCCCCCCCCCCC)O; CCCCCCCCCCCCCCCCCCC
    C(=O)N[CH](C)[CH](O)C=CCCCCCCCCCCCCCCC;
    CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@@H](
    O)/C=C/CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC
    CCCC(=O)NC(C)C(C=CCCCCCCCCCCCCCCC)O    		 N-[(2R,3S)-3-oxidanylicos-4-en-2-yl]icosanamide
    31255
    ONY
    CHEMBL4640751    		 1 C22 H22 N4 O3 InChI=1S/C22H22N4O3/c1-15
    -12-20(9-6-18(15)14-23)28
    -19-7-4-17(5-8-19)13-22(2
    7)26(3)11-10-21-24-16(2)2
    9-25-21/h4-9,12H,10-11,13
    H2,1-3H3;
    IRHPSNSMVQKDNH-UHFFFAOYSA-N    		 CN(CCc1noc(C)n1)C(=O)Cc2ccc(Oc3ccc(C#N)c
    (C)c3)cc2; Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=
    O)N(C)CCc3nc(on3)C; CN(CCc1noc(n1)C)C(=O
    )Cc2ccc(cc2)Oc3cc(c(cc3)C#N)C    		 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
    31256
    ONZ    		 4 C10 H9 N O5 InChI=1S/C10H9NO5/c12-8(1
    3)4-11-10(14)6-2-1-3-7-9(
    6)16-5-15-7/h1-3H,4-5H2,(
    H,11,14)(H,12,13);
    YDSBLSGGADRARS-UHFFFAOYSA-N    		 c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O; OC(=O)CN
    C(=O)c1cccc2OCOc12; O=C(O)CNC(=O)c1cccc2
    OCOc12    		 2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid
    31257
    OO1    		 0 C8 H9 N O2 InChI=1S/C8H9NO2/c1-6-2-4
    -7(5-3-6)9-8(10)11/h2-5,9
    H,1H3,(H,10,11);
    RHNSSYGTJAAVCR-UHFFFAOYSA-N    		 C(O)(=O)Nc1ccc(cc1)C; Cc1ccc(cc1)NC(=O)O
    ; Cc1ccc(NC(O)=O)cc1    		 (4-methylphenyl)carbamic acid
    31258
    OO2
    CHEMBL4791637    		 2 C16 H23 Cl N5 O7 P InChI=1S/C16H23ClN5O7P/c1
    7-16-20-13(19-8-3-1-2-4-8
    )10-14(21-16)22(6-18-10)1
    5-12(24)11(23)9(29-15)5-2
    8-7-30(25,26)27/h6,8-9,11
    -12,15,23-24H,1-5,7H2,(H,
    19,20,21)(H2,25,26,27)/t9
    -,11-,12-,15-/m1/s1;
    ALDWNWOVOJESRL-SDBHATRESA-N    		 c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H]
    (O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4; c1nc2c
    (nc(nc2n1C3C(C(C(O3)COCP(=O)(O)O)O)O)Cl)
    NC4CCCC4; O[CH]1[CH](O)[CH](O[CH]1COC[P]
    (O)(O)=O)n2cnc3c(NC4CCCC4)nc(Cl)nc23; O[
    C@H]1[C@@H](O)[C@@H](O[C@@H]1COC[P](O)(O
    )=O)n2cnc3c(NC4CCCC4)nc(Cl)nc23    		 [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid
    31259
    OO4
    CHEMBL4646603    		 2 C32 H41 N3 O8 InChI=1S/C32H41N3O8/c1-40
    -31(38)35-28(22-12-13-22)
    29(37)34-25(17-21-10-6-3-
    7-11-21)26(36)18-23(16-20
    -8-4-2-5-9-20)33-32(39)43
    -27-19-42-30-24(27)14-15-
    41-30/h2-11,22-28,30,36H,
    12-19H2,1H3,(H,33,39)(H,3
    4,37)(H,35,38)/t23-,24-,2
    5-,26-,27-,28-,30+/m0/s1;
    UAUIISPUXGSUCV-DMVQEWIISA-N    		 COC(=O)N[C@@H](C1CC1)C(=O)N[C@@H](Cc2ccc
    cc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4
    CO[C@@H]5[C@H]4CCO5)O; COC(=O)N[C@@H](C1
    CC1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@
    H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@H]5OCC[C@
    @H]45; COC(=O)NC(C1CC1)C(=O)NC(Cc2ccccc2
    )C(CC(Cc3ccccc3)NC(=O)OC4COC5C4CCO5)O; c
    1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)C
    c4ccccc4)O)NC(=O)C(C5CC5)NC(OC)=O; COC(=
    O)N[CH](C1CC1)C(=O)N[CH](Cc2ccccc2)[CH](
    O)C[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH]5OCC
    [CH]45    		 methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
    31260
    OO5
    CHEMBL4745473    		 2 C16 H23 Cl N5 O7 P InChI=1S/C16H23ClN5O7P/c1
    7-16-20-13(19-8-3-1-2-4-8
    )9-5-18-22(14(9)21-16)15-
    12(24)11(23)10(29-15)6-28
    -7-30(25,26)27/h5,8,10-12
    ,15,23-24H,1-4,6-7H2,(H,1
    9,20,21)(H2,25,26,27)/t10
    -,11-,12-,15-/m1/s1;
    IVHVIBKVJIZKOC-RTWAVKEYSA-N    		 c1c2c(nc(nc2n(n1)C3C(C(C(O3)COCP(=O)(O)O
    )O)O)Cl)NC4CCCC4; c1c2c(nc(nc2n(n1)[C@H]
    3[C@@H]([C@@H]([C@H](O3)COCP(=O)(O)O)O)O
    )Cl)NC4CCCC4; O[CH]1[CH](O)[CH](O[CH]1CO
    C[P](O)(O)=O)n2ncc3c(NC4CCCC4)nc(Cl)nc23
    ; O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COC[P](
    O)(O)=O)n2ncc3c(NC4CCCC4)nc(Cl)nc23    		 [(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid
    31261
    OO6    		 1 C20 H17 Cl N2 O2 InChI=1S/C20H17ClN2O2/c1-
    12-11-25-18-7-6-14(21)8-1
    6(18)19(12)20(24)23-17-10
    -22-9-13-4-2-3-5-15(13)17
    /h2-10,12,19H,11H2,1H3,(H
    ,23,24)/t12-,19-/m1/s1;
    SGXOKACJPFKOBB-CWTRNNRKSA-N    		 C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c
    3cccc4)Cl; Clc1ccc2OCC(C)C(c2c1)C(=O)Nc1
    cncc2ccccc21; C[CH]1COc2ccc(Cl)cc2[CH]1C
    (=O)Nc3cncc4ccccc34; C[C@@H]1COc2ccc(Cl)
    cc2[C@@H]1C(=O)Nc3cncc4ccccc34; CC1COc2c
    cc(cc2C1C(=O)Nc3cncc4c3cccc4)Cl    		 (3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    31262
    OO7
    CHEMBL4861572    		 1 C24 H22 F3 N5 O3 InChI=1S/C24H22F3N5O3/c1-
    15-21-30-20(17-6-4-3-5-7-
    17)22(32(21)11-10-28-15)3
    1-23(33)29-13-18-12-16(14
    -34-2)8-9-19(18)35-24(25,
    26)27/h3-12H,13-14H2,1-2H
    3,(H2,29,31,33);
    KNZNJSNITSGMNY-UHFFFAOYSA-N    		 Cc1c2nc(c(n2ccn1)NC(=O)NCc3cc(ccc3OC(F)(
    F)F)COC)c4ccccc4; C(F)(F)(F)Oc4c(CNC(Nc2
    c(c1ccccc1)nc3n2ccnc3C)=O)cc(cc4)COC; CO
    Cc1ccc(OC(F)(F)F)c(CNC(=O)Nc2n3ccnc(C)c3
    nc2c4ccccc4)c1    		 N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
    31263
    OO8    		 1 C15 H16 N O5 P InChI=1S/C15H16NO5P/c17-1
    5(16-10-12-6-2-1-3-7-12)1
    1-21-13-8-4-5-9-14(13)22(
    18,19)20/h1-9H,10-11H2,(H
    ,16,17)(H2,18,19,20);
    LOUYKKOJKVDPIE-UHFFFAOYSA-N    		 c1ccc(cc1)CNC(=O)COc2ccccc2P(=O)(O)O; O[
    P](O)(=O)c1ccccc1OCC(=O)NCc2ccccc2    		 [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid
    31264
    OO9
    CHEMBL1162310    		 1 H3 O5 P InChI=1S/H3O5P/c1-5-6(2,3
    )4/h1H,(H2,2,3,4);
    MPNNOLHYOHFJKL-UHFFFAOYSA-N    		 OOP(=O)(O)O; OO[P](O)(O)=O oxidanyl dihydrogen phosphate
    31265
    OOA    		 4 C8 H14 O3 InChI=1S/C8H14O3/c1-2-3-4
    -5-7(9)6-8(10)11/h2-6H2,1
    H3,(H,10,11);
    FWNRRWJFOZIGQZ-UHFFFAOYSA-N    		 O=C(O)CC(=O)CCCCC; CCCCCC(=O)CC(=O)O; CC
    CCCC(=O)CC(O)=O    		 3-OXOOCTANOIC ACID
    31266
    OOB
    ZINC000004097115    		 3 C17 H18 N5 O8 P InChI=1S/C17H18N5O8P/c18-
    14-11-15(20-7-19-14)22(8-
    21-11)16-13(24)12(23)10(2
    9-16)6-28-31(26,27)30-17(
    25)9-4-2-1-3-5-9/h1-5,7-8
    ,10,12-13,16,23-24H,6H2,(
    H,26,27)(H2,18,19,20)/t10
    -,12-,13-,16-/m1/s1;
    PTJTVELTWZMHPG-XNIJJKJLSA-N    		 c1ccc(cc1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([
    C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O; c1ccc
    (cc1)C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3
    ncnc4N)O)O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H
    ](CO[P](O)(=O)OC(=O)c4ccccc4)[C@@H](O)[C
    @H]3O; C(=O)(OP(=O)(O)OCC1C(O)C(O)C(O1)n
    3c2ncnc(c2nc3)N)c4ccccc4; Nc1ncnc2n(cnc1
    2)[CH]3O[CH](CO[P](O)(=O)OC(=O)c4ccccc4)
    [CH](O)[CH]3O    		 5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine
    31267
    OOC
    ZINC000219974503    		 0 C20 H38 O10 S InChI=1S/C20H38O10S/c1-2-
    3-4-5-6-7-8-31-20-17(27)1
    5(25)18(12(10-22)29-20)30
    -19-16(26)14(24)13(23)11(
    9-21)28-19/h11-27H,2-10H2
    ,1H3/t11-,12-,13-,14-,15+
    ,16-,17+,18-,19+,20+/m1/s
    1;
    JHBBNAKIOKQRJS-AIIAIXEESA-N    		 CCCCCCCCSC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)C
    O)O)O)O)O)O; CCCCCCCCS[C@H]1[C@H]([C@@H]
    ([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@@H]
    ([C@@H]([C@H](O2)CO)O)O)O)O)O; CCCCCCCCS
    [C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C
    O)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@
    @H]1O; CCCCCCCCS[CH]1O[CH](CO)[CH](O[CH]
    2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[C
    H]1O; S(CCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O
    )C1O)C(O)C2O)CO    		 octyl 4-O-beta-D-allopyranosyl-1-thio-beta-D-altropyranoside;
    N-BETA-OCTYL-THIO-MALTOSIDE
    31268
    OOD
    CHEMBL4447685
    ZINC000013097356    		 1 C23 H23 N7 O3 InChI=1S/C23H23N7O3/c1-23
    (2,3)19-13-20(30(26-19)18
    -7-5-4-6-8-18)25-21(31)14
    -33-22(32)16-9-11-17(12-1
    0-16)29-15-24-27-28-29/h4
    -13,15H,14H2,1-3H3,(H,25,
    31);
    PRZQRZSCFWKYBL-UHFFFAOYSA-N    		 CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)COC(=O)
    c3ccc(cc3)n4cnnn4; C(=O)(OCC(Nc1n(nc(C(C
    )(C)C)c1)c2ccccc2)=O)c3ccc(cc3)n4cnnn4;
    CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(cc2)n3cn
    nn3)n(n1)c4ccccc4    		 2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate
    31269
    OOE    		 1 C20 H22 F2 N10 O11 P2 InChI=1S/C20H22F2N10O11P2
    /c21-8-12-6(40-18(8)31-4-
    27-10-14(23)25-3-26-15(10
    )31)1-38-45(36,37)43-13-7
    (2-39-44(34,35)42-12)41-1
    9(9(13)22)32-5-28-11-16(3
    2)29-20(24)30-17(11)33/h3
    -9,12-13,18-19H,1-2H2,(H,
    34,35)(H,36,37)(H2,23,25,
    26)(H3,24,29,30,33)/t6-,7
    -,8-,9-,12-,13-,18-,19-/m
    1/s1;
    BFQVZDRNJPTWKS-ZVCHIEIFSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P
    ](O)(=O)O[C@H]5[C@@H](F)[C@@H](O[C@@H]5C
    O[P](O)(=O)O[C@H]4[C@H]3F)n6cnc7c(N)ncnc
    67; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]
    4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)
    (O4)O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)
    N)O)F)N; c1nc(c2c(n1)n(cn2)C3C(C4C(O3)CO
    P(=O)(OC5C(COP(=O)(O4)O)OC(C5F)n6cnc7c6N
    =C(NC7=O)N)O)F)N; NC1=Nc2n(cnc2C(=O)N1)[
    CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](
    O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N
    )ncnc67    		 2',2'-difluoro-3',3'-cGAMP;
    9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)- 3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-2-azan yl-1~{H}-purin-6-one
    31270
    OOF
    CHEMBL1615153
    ZINC000064746593    		 2 C28 H24 Cl F2 N3 O3 InChI=1S/C28H24ClF2N3O3/c
    29-19-10-6-17(7-11-19)26-
    33-23-14-21(30)22(31)15-2
    4(23)34(26)25(16-4-2-1-3-
    5-16)27(35)32-20-12-8-18(
    9-13-20)28(36)37/h6-16,25
    H,1-5H2,(H,32,35)(H,36,37
    )/t25-/m0/s1;
    OZGKPOZAIWDSQB-VWLOTQADSA-N    		 c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)
    C(=O)Nc5ccc(cc5)C(=O)O)F)F)Cl; OC(=O)c1c
    cc(NC(=O)[C@H](C2CCCCC2)n3c4cc(F)c(F)cc4
    nc3c5ccc(Cl)cc5)cc1; c1cc(ccc1c2nc3cc(c(
    cc3n2C(C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F
    )F)Cl; O=C(O)c1ccc(cc1)NC(=O)C(n3c4cc(F)
    c(F)cc4nc3c2ccc(Cl)cc2)C5CCCCC5; OC(=O)c
    1ccc(NC(=O)[CH](C2CCCCC2)n3c4cc(F)c(F)cc
    4nc3c5ccc(Cl)cc5)cc1    		 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
    31271
    OOG
    ZINC000001532613    		 18 C6 H8 O5 InChI=1S/C6H8O5/c7-4(6(10
    )11)2-1-3-5(8)9/h1-3H2,(H
    ,8,9)(H,10,11);
    FGSBNBBHOZHUBO-UHFFFAOYSA-N    		 C(CC(=O)C(=O)O)CC(=O)O; O=C(C(=O)O)CCCC(
    =O)O; OC(=O)CCCC(=O)C(O)=O    		 2-OXOADIPIC ACID
    31272
    OOH
    CHEMBL4779818    		 1 C15 H14 O7 InChI=1S/C15H14O7/c1-2-3-
    4-6(16)10-13(20)9-7(17)5-
    8(18)12(19)11(9)15(22)14(
    10)21/h5,17-19,21H,2-4H2,
    1H3;
    GSEGHWAXDYOZNU-UHFFFAOYSA-N    		 CCCCC(=O)C1=C(C(=O)c2c(c(cc(c2O)O)O)C1=O
    )O; CCCCC(=O)C1=C(O)C(=O)c2c(O)c(O)cc(O)
    c2C1=O    		 3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione
    31273
    OOJ
    CHEMBL4458913
    ZINC000041086324    		 1 C20 H15 F3 N6 O2 S2 InChI=1S/C20H15F3N6O2S2/c
    1-11-5-6-15-24-14(8-16(30
    )29(15)9-11)10-32-19-28-2
    7-18(33-19)26-17(31)25-13
    -4-2-3-12(7-13)20(21,22)2
    3/h2-9H,10H2,1H3,(H2,25,2
    6,27,31);
    OQDBRNRNKHKMSL-UHFFFAOYSA-N    		 CC1=CN2C(=O)C=C(CSc3sc(NC(=O)Nc4cccc(c4)
    C(F)(F)F)nn3)N=C2C=C1; C(F)(F)(c4cc(NC(N
    c3nnc(SCC=2N=C1C=CC(C)=CN1C(=O)C=2)s3)=O
    )ccc4)F; CC1=CN2C(=NC(=CC2=O)CSc3nnc(s3)
    NC(=O)Nc4cccc(c4)C(F)(F)F)C=C1    		 N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea
    31274
    OOK
    CHEMBL1615154
    ZINC000043206468    		 2 C28 H22 Cl F4 N3 O3 InChI=1S/C28H22ClF4N3O3/c
    29-17-8-6-15(7-9-17)26-34
    -22-12-18(30)19(31)13-23(
    22)36(26)25(14-4-2-1-3-5-
    14)27(37)35-24-20(32)10-1
    6(28(38)39)11-21(24)33/h6
    -14,25H,1-5H2,(H,35,37)(H
    ,38,39)/t25-/m0/s1;
    MRVUTCGFXDGVGC-VWLOTQADSA-N    		 c1cc(ccc1c2nc3cc(c(cc3n2C(C4CCCCC4)C(=O)
    Nc5c(cc(cc5F)C(=O)O)F)F)F)Cl; c1cc(ccc1c
    2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5c(
    cc(cc5F)C(=O)O)F)F)F)Cl; O=C(O)c1cc(F)c(
    c(F)c1)NC(=O)C(n3c4cc(F)c(F)cc4nc3c2ccc(
    Cl)cc2)C5CCCCC5; OC(=O)c1cc(F)c(NC(=O)[C
    H](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)
    cc5)c(F)c1; OC(=O)c1cc(F)c(NC(=O)[C@H](C
    2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5)
    c(F)c1    		 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid
    31275
    OOL    		 1 C7 H9 N3 O2 InChI=1S/C7H9N3O2/c1-11-6
    -3-7(12-2)10-5(4-8)9-6/h3
    -4,8H,1-2H3/b8-4+;
    ZNXPLNWUFWZUFS-XBXARRHUSA-N    		 N=Cc1nc(OC)cc(OC)n1; COc1cc(nc(n1)C=N)OC
    ; [H]/N=C/c1nc(cc(n1)OC)OC; COc1cc(OC)nc
    (C=N)n1    		 (E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine
    31276
    OOM
    ZINC000008861311    		 1 C22 H23 N7 O2 S InChI=1S/C22H23N7O2S/c1-2
    2(2,3)18-13-19(28(25-18)1
    5-7-5-4-6-8-15)23-20(31)1
    4-32-21-24-26-27-29(21)16
    -9-11-17(30)12-10-16/h4-1
    3,30H,14H2,1-3H3,(H,23,31
    );
    MLPOPBODRFYIRV-UHFFFAOYSA-N    		 CC(C)(C)c1cc(NC(=O)CSc2nnnn2c3ccc(O)cc3)
    n(n1)c4ccccc4; CC(C)(C)c1cc(n(n1)c2ccccc
    2)NC(=O)CSc3nnnn3c4ccc(cc4)O; CC(C)(C)c1
    nn(c(c1)NC(CSc3nnnn3c2ccc(cc2)O)=O)c4ccc
    cc4    		 N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
    31277
    OOO    		 1 C32 H39 N5 O3 InChI=1S/C32H39N5O3/c1-4-
    39-32(38)28(18-21(2)3)36-
    23-12-14-24(15-13-23)37-1
    9-27(29-30(33)34-20-35-31
    (29)37)22-10-16-26(17-11-
    22)40-25-8-6-5-7-9-25/h5-
    11,16-17,19-21,23-24,28,3
    6H,4,12-15,18H2,1-3H3,(H2
    ,33,34,35)/t23-,24+,28-/m
    0/s1;
    YPZOCKHNHHMXDI-JPYHZWLXSA-N    		 CCOC(=O)C(CC(C)C)NC1CCC(CC1)n2cc(c3c2ncn
    c3N)c4ccc(cc4)Oc5ccccc5; CCOC(=O)[C@H](C
    C(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(c
    c4)Oc5ccccc5; CCOC(=O)[CH](CC(C)C)N[CH]1
    CC[CH](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(
    N)ncnc25; CCOC(=O)[C@H](CC(C)C)N[C@H]1CC
    [C@H](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N
    )ncnc25    		 ethyl (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate
    31278
    OOP
    ZINC000098209268    		 4 C23 H35 N4 O17 P3 InChI=1S/C23H35N4O17P3/c1
    -11(4-5-42-47(40,41)44-46
    (37,38)39)14(9-28)23-20(2
    4-22(33)25-21(23)32)27(16
    -7-13(3)12(2)6-15(16)26-2
    3)8-17(29)19(31)18(30)10-
    43-45(34,35)36/h6-7,14,17
    -19,26,28-31H,1,4-5,8-10H
    2,2-3H3,(H,40,41)(H,25,32
    ,33)(H2,34,35,36)(H2,37,3
    8,39)/t14-,17+,18-,19+,23
    -/m1/s1;
    KSKIGIXASYOSHG-TUUFUFLPSA-N    		 Cc1cc2N[C@@]3([C@H](CO)C(=C)CCO[P](O)(=O
    )O[P](O)(O)=O)C(=O)NC(=O)N=C3N(C[C@H](O)
    [C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C; Cc
    1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)C(CO)C
    (=C)CCOP(=O)(O)OP(=O)(O)O)CC(C(C(COP(=O)
    (O)O)O)O)O; O=P(O)(O)OCC(O)C(O)C(O)CN2C3
    =NC(=O)NC(=O)C3(Nc1cc(c(cc12)C)C)C(C(=C)
    /CCOP(=O)(O)OP(=O)(O)O)CO; Cc1cc2c(cc1C)
    N(C3=NC(=O)NC(=O)[C@@]3(N2)[C@H](CO)C(=C
    )CCO[P@](=O)(O)OP(=O)(O)O)C[C@@H]([C@@H]
    ([C@@H](COP(=O)(O)O)O)O)O; Cc1cc2N[C]3([
    CH](CO)C(=C)CCO[P](O)(=O)O[P](O)(O)=O)C(
    =O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[
    P](O)(O)=O)c2cc1C    		 1-deoxy-1-[(4aR)-4a-[(2R)-1-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol
    31279
    OOQ
    CHEMBL4208669    		 1 C30 H35 N5 O3 InChI=1S/C30H35N5O3/c1-19
    (2)16-26(30(36)37)34-21-1
    0-12-22(13-11-21)35-17-25
    (27-28(31)32-18-33-29(27)
    35)20-8-14-24(15-9-20)38-
    23-6-4-3-5-7-23/h3-9,14-1
    5,17-19,21-22,26,34H,10-1
    3,16H2,1-2H3,(H,36,37)(H2
    ,31,32,33)/t21-,22+,26-/m
    0/s1;
    KUUPATHXUAIQFZ-VRUMLPLGSA-N    		 CC(C)CC(C(=O)[O-])[NH2+]C1CCC(CC1)n2cc(c
    3c2ncnc3N)c4ccc(cc4)Oc5ccccc5; CC(C)C[C@
    @H](C(=O)[O-])[NH2+]C1CCC(CC1)n2cc(c3c2n
    cnc3N)c4ccc(cc4)Oc5ccccc5; CC(C)C[CH]([N
    H2+][CH]1CC[CH](CC1)n2cc(c3ccc(Oc4ccccc4
    )cc3)c5c(N)ncnc25)C([O-])=O; CC(C)C[C@H]
    ([NH2+][C@@H]1CC[C@@H](CC1)n2cc(c3ccc(Oc
    4ccccc4)cc3)c5c(N)ncnc25)C([O-])=O    		 (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate
    31280
    OOS
    CHEMBL4065334    		 1 C30 H36 N6 O2 InChI=1S/C30H36N6O2/c1-19
    (2)16-26(29(32)37)35-21-1
    0-12-22(13-11-21)36-17-25
    (27-28(31)33-18-34-30(27)
    36)20-8-14-24(15-9-20)38-
    23-6-4-3-5-7-23/h3-9,14-1
    5,17-19,21-22,26,35H,10-1
    3,16H2,1-2H3,(H2,32,37)(H
    2,31,33,34)/t21-,22-,26-/
    m0/s1;
    HHDXSZQPSZPOBP-MCEYFSPLSA-N    		 CC(C)C[C@@H](C(=O)N)NC1CCC(CC1)n2cc(c3c2
    ncnc3N)c4ccc(cc4)Oc5ccccc5; CC(C)CC(C(=O
    )N)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)
    Oc5ccccc5; CC(C)C[C@H](N[C@H]1CC[C@@H](C
    C1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25
    )C(N)=O; CC(C)C[CH](N[CH]1CC[CH](CC1)n2c
    c(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25)C(N)=
    O    		 (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide
    31281
    OOU
    CHEMBL4085262    		 1 C31 H38 N6 O2 InChI=1S/C31H38N6O2/c1-20
    (2)17-27(31(38)33-3)36-22
    -11-13-23(14-12-22)37-18-
    26(28-29(32)34-19-35-30(2
    8)37)21-9-15-25(16-10-21)
    39-24-7-5-4-6-8-24/h4-10,
    15-16,18-20,22-23,27,36H,
    11-14,17H2,1-3H3,(H,33,38
    )(H2,32,34,35)/t22-,23-,2
    7-/m0/s1;
    QWSTVNCCNITNGB-WCYRKSIYSA-N    		 CC(C)CC(C(=O)NC)NC1CCC(CC1)n2cc(c3c2ncnc
    3N)c4ccc(cc4)Oc5ccccc5; CC(C)C[C@@H](C(=
    O)NC)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc
    4)Oc5ccccc5; CNC(=O)[C@H](CC(C)C)N[C@H]1
    CC[C@@H](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5
    c(N)ncnc25; CNC(=O)[CH](CC(C)C)N[CH]1CC[
    CH](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)n
    cnc25    		 (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide
    31282
    OOV
    CHEMBL4103186    		 1 C32 H40 N6 O2 InChI=1S/C32H40N6O2/c1-21
    (2)18-28(32(39)37(3)4)36-
    23-12-14-24(15-13-23)38-1
    9-27(29-30(33)34-20-35-31
    (29)38)22-10-16-26(17-11-
    22)40-25-8-6-5-7-9-25/h5-
    11,16-17,19-21,23-24,28,3
    6H,12-15,18H2,1-4H3,(H2,3
    3,34,35)/t23-,24-,28-/m0/
    s1;
    KOBNNQXCSZBAFN-QONNDPFASA-N    		 CC(C)CC(C(=O)N(C)C)NC1CCC(CC1)n2cc(c3c2n
    cnc3N)c4ccc(cc4)Oc5ccccc5; CC(C)C[C@@H](
    C(=O)N(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4
    ccc(cc4)Oc5ccccc5; CC(C)C[CH](N[CH]1CC[C
    H](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)nc
    nc25)C(=O)N(C)C; CC(C)C[C@H](N[C@H]1CC[C
    @@H](CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)
    ncnc25)C(=O)N(C)C    		 (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide
    31283
    OOW    		 6 C10 H19 N O13 P2 InChI=1S/C10H19NO13P2/c1-
    4(12)11-7-9(22-5(2)13)8(1
    4)6(3-21-25(15,16)17)23-1
    0(7)24-26(18,19)20/h6-10,
    14H,3H2,1-2H3,(H,11,12)(H
    2,15,16,17)(H2,18,19,20)/
    t6-,7+,8-,9-,10-/m1/s1;
    WZRFFNAOXAJBLK-JDDHQFAOSA-N    		 CC(=O)N[CH]1[CH](O[CH](CO[P](O)(O)=O)[CH
    ](O)[CH]1OC(C)=O)O[P](O)(O)=O; CC(=O)N[C
    @@H]1[C@H](O[C@H](CO[P](O)(O)=O)[C@@H](O
    )[C@@H]1OC(C)=O)O[P](O)(O)=O; CC(=O)NC1C
    (C(C(OC1OP(=O)(O)O)COP(=O)(O)O)O)OC(=O)C
    ; CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H
    ]1OP(=O)(O)O)COP(=O)(O)O)O)OC(=O)C    		 {[(2R,3S,4R,5S,6R)-5-acetamido-3-hydroxy-4-(2-oxopropyl)-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid
    31284
    OOX
    CHEMBL656
    DB00497
    ZINC000000403533    		 6 C18 H21 N O4 InChI=1S/C18H21NO4/c1-19-
    8-7-17-14-10-3-4-12(22-2)
    15(14)23-16(17)11(20)5-6-
    18(17,21)13(19)9-10/h3-4,
    13,16,21H,5-9H2,1-2H3/t13
    -,16+,17+,18-/m1/s1;
    BRUQQQPBMZOVGD-XFKAJCMBSA-N    		 CN1CCC23c4c5ccc(c4OC2C(=O)CCC3(C1C5)O)OC
    ; CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@
    ]3([C@H]1C5)O)OC; COc1ccc2C[C@H]3N(C)CC[
    C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O; O=C
    1CCC2(O)C3Cc4ccc(OC)c5OC1C2(CCN3C)c54; C
    Oc1ccc2C[CH]3N(C)CC[C]45[CH](Oc1c24)C(=O
    )CC[C]35O    		 14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one;
    Oxycodone
    31285
    OOY
    CHEMBL4793897
    ZINC000009642990    		 3 C27 H29 N3 O4 InChI=1S/C27H29N3O4/c31-2
    7(21-5-4-8-24(19-21)34-23
    -6-2-1-3-7-23)28-25-10-9-
    22(29-11-15-32-16-12-29)2
    0-26(25)30-13-17-33-18-14
    -30/h1-10,19-20H,11-18H2,
    (H,28,31);
    NPIWJUNMCKXNKZ-UHFFFAOYSA-N    		 O=C(Nc1ccc(cc1N2CCOCC2)N3CCOCC3)c4cccc(O
    c5ccccc5)c4; c2cc(c(N1CCOCC1)cc2N3CCOCC3
    )NC(=O)c4cc(ccc4)Oc5ccccc5; c1ccc(cc1)Oc
    2cccc(c2)C(=O)Nc3ccc(cc3N4CCOCC4)N5CCOCC
    5    		 N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide
    31286
    OOZ    		 1 C42 H67 N O12 InChI=1S/C42H67NO12/c1-9-
    29-17-23(2)16-24(3)18-34(
    47)38-36(53-8)20-26(5)42(
    51,55-38)39(48)40(49)43-1
    5-11-10-12-30(43)41(50)54
    -37(27(6)32(45)22-33(29)4
    6)25(4)19-28-13-14-31(44)
    35(21-28)52-7/h17,19,24,2
    6-32,34-38,44-45,47,51H,9
    -16,18,20-22H2,1-8H3/b23-
    17+,25-19+/t24-,26+,27+,2
    8-,29+,30-,31+,32-,34-,35
    +,36-,37+,38+,42+/m0/s1;
    GORPFHTVXJBJQH-XJYRRQLNSA-N    		 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)N3CCCC[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)O)C)\C; 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)O)C)C; CC[C
    H]1C=C(C)C[CH](C)C[CH](O)[CH]2O[C](O)([C
    H](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; CC[C@@H]1/C=C(C)/C[C@H
    ](C)C[C@H](O)[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]4
    CC[C@@H](O)[C@@H](C4)OC    		 (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
    31287
    OP0
    ZINC000263621307    		 6 C9 H18 N4 O7 S InChI=1S/C9H18N4O7S/c10-3
    -4-19-12-9(15)8-2-1-7(5-1
    3(8)6-14)11-20-21(16,17)1
    8/h6-8,11H,1-5,10H2,(H,12
    ,15)(H,16,17,18)/t7-,8+/m
    1/s1;
    YTAWXXHGLPATIN-SFYZADRCSA-N    		 O=CN1C(C(=O)NOCCN)CCC(NOS(=O)(=O)O)C1; C
    1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)
    NOCCN; C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)N
    OCCN; NCCONC(=O)[CH]1CC[CH](CN1C=O)NO[S]
    (O)(=O)=O; NCCONC(=O)[C@@H]1CC[C@H](CN1C
    =O)NO[S](O)(=O)=O    		 (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
    31288
    OP1    		 4 C11 H18 N4 O5 InChI=1S/C11H18N4O5/c12-1
    1(13)14-5-1-2-6(9(17)18)1
    5-7(10(19)20)3-4-8(15)16/
    h6-7H,1-5H2,(H,17,18)(H,1
    9,20)(H4,12,13,14)/t6-,7+
    /m0/s1;
    GTRMYGUJZGMZEF-NKWVEPMBSA-N    		 NC(=N)NCCC[CH](N1[CH](CCC1=O)C(O)=O)C(O)
    =O; C1CC(=O)N(C1C(=O)O)C(CCCNC(=N)N)C(=O
    )O; [H]/N=C(\N)/NCCC[C@@H](C(=O)O)N1[C@H
    ](CCC1=O)C(=O)O; O=C(O)C(N1C(=O)CCC1C(=O
    )O)CCCNC(=[N@H])N; NC(=N)NCCC[C@H](N1[C@
    H](CCC1=O)C(O)=O)C(O)=O    		 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline;
    Pyronopaline
    31289
    OP2
    ZINC000095920522    		 1 C12 H24 O8 InChI=1S/C12H24O8/c13-1-2
    -16-3-4-17-5-6-18-7-8-19-
    9-10-20-11-12(14)15/h13H,
    1-11H2,(H,14,15);
    SXGGZTBEWZFLBZ-UHFFFAOYSA-N    		 C(COCCOCCOCCOCCOCC(=O)O)O; OCCOCCOCCOCCO
    CCOCC(O)=O; O=C(O)COCCOCCOCCOCCOCCO    		 2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid
    31290
    OP3    		 12 C8 H14 O4 InChI=1S/C8H14O4/c1-12-8(
    11)6-4-2-3-5-7(9)10/h2-6H
    2,1H3,(H,9,10);
    YOLQOHRXBGFZED-UHFFFAOYSA-N    		 COC(=O)CCCCCC(=O)O; COC(=O)CCCCCC(O)=O 7-methoxy-7-oxidanylidene-heptanoic acid
    31291
    OP4
    CHEMBL5267644    		 2 C32 H47 F N6 O4 S InChI=1S/C32H47FN6O4S/c1-
    22(2)39(23(3)4)31(40)27-1
    6-25(33)8-11-28(27)43-29-
    17-34-21-35-30(29)38-19-3
    2(20-38)12-14-37(15-13-32
    )18-24-6-9-26(10-7-24)36-
    44(5,41)42/h8,11,16-17,21
    -24,26,36H,6-7,9-10,12-15
    ,18-20H2,1-5H3/t24-,26-;
    ADHHOUXZPBYYSU-YOCNBXQISA-N    		 CC(C)N(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC
    4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)F; F
    c1ccc(c(c1)C(=O)N(C(C)C)C(C)C)Oc5c(N2CC3
    (C2)CCN(CC3)CC4CCC(CC4)NS(=O)(C)=O)ncnc5
    ; CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc2cncnc2
    N3CC4(CCN(CC4)C[CH]5CC[CH](CC5)N[S](C)(=
    O)=O)C3; CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc
    2cncnc2N3CC4(CCN(CC4)C[C@@H]5CC[C@H](CC5
    )N[S](C)(=O)=O)C3    		 5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N,N-di(propan-2-yl)benzamide
    31292
    OP5    		 1 C44 H69 N O13 InChI=1S/C44H69NO13/c1-24
    -16-25(2)18-37(55-8)40-38
    (56-9)20-27(4)44(53,58-40
    )41(50)42(51)45-15-11-10-
    12-32(45)43(52)57-39(26(3
    )19-30-13-14-33(47)36(22-
    30)54-7)29(6)34(48)23-35(
    49)31(17-24)21-28(5)46/h1
    7,19,25,27,29-34,36-40,47
    -48,53H,10-16,18,20-23H2,
    1-9H3/b24-17+,26-19+/t25-
    ,27+,29+,30-,31-,32-,33+,
    34-,36+,37-,38-,39+,40+,4
    4+/m0/s1;
    DHEMNTLAGYUASY-BABZEESQSA-N    		 CO[CH]1C[CH](CC[CH]1O)C=C(C)[CH]2OC(=O)[
    CH]3CCCCN3C(=O)C(=O)[C]4(O)O[CH]([CH](C[
    CH](C)CC(=C[CH](CC(C)=O)C(=O)C[CH](O)[CH
    ]2C)C)OC)[CH](C[CH]4C)OC; CC1CC(C2C(CC(C
    (O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O
    )C(C=C(C1)C)CC(=O)C)O)C)C(=CC4CCC(C(C4)O
    C)O)C)O)C)OC)OC; C[C@@H]1C[C@@H]([C@@H]2
    [C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[
    C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@
    @H](/C=C(/C1)\C)CC(=O)C)O)C)/C(=C/[C@@H]
    4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC; CO
    [C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]2O
    C(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@
    H]([C@H](C[C@@H](C)C\C(=C\[C@@H](CC(C)=O
    )C(=O)C[C@H](O)[C@H]2C)C)OC)[C@H](C[C@H]
    4C)OC    		 (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
    31293
    OP6    		 1 C26 H33 N2 O3 InChI=1S/C26H33N2O3/c1-27
    (2)26-9-8-24-20-23(6-7-25
    (24)21-26)5-4-22-10-12-28
    (13-11-22)14-15-30-18-19-
    31-17-16-29-3/h4-13,20-21
    H,14-19H2,1-3H3/q+1;
    WKTJDXGTTJINPQ-UHFFFAOYSA-N    		 CN(C)c1ccc2cc(ccc2c1)/C=C/c3cc[n+](cc3)C
    COCCOCCOC; COCCOCCOCC[n+]1ccc(/C=C/c2ccc
    3cc(ccc3c2)N(C)C)cc1; CN(C)c1ccc2cc(ccc2
    c1)C=Cc3cc[n+](cc3)CCOCCOCCOC; COCCOCCOC
    C[n+]1ccc(C=Cc2ccc3cc(ccc3c2)N(C)C)cc1    		 6-[(~{E})-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-naphthalen-2-amine
    31294
    OP7
    CHEMBL4648875    		 2 C34 H45 N3 O8 InChI=1S/C34H45N3O8/c1-42
    -33(40)37-30(24-14-8-9-15
    -24)31(39)36-27(19-23-12-
    6-3-7-13-23)28(38)20-25(1
    8-22-10-4-2-5-11-22)35-34
    (41)45-29-21-44-32-26(29)
    16-17-43-32/h2-7,10-13,24
    -30,32,38H,8-9,14-21H2,1H
    3,(H,35,41)(H,36,39)(H,37
    ,40)/t25-,26-,27-,28-,29-
    ,30-,32+/m0/s1;
    ZRLPHWQOZNLOMW-NNDBWJOKSA-N    		 COC(=O)NC(C1CCCC1)C(=O)NC(Cc2ccccc2)C(CC
    (Cc3ccccc3)NC(=O)OC4COC5C4CCO5)O; COC(=O
    )N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)
    [C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C
    @@H]5[C@H]4CCO5)O; COC(=O)N[CH](C1CCCC1)
    C(=O)N[CH](Cc2ccccc2)[CH](O)C[CH](Cc3ccc
    cc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45; c5c(CC
    (C(CC(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)NC
    (C(C4CCCC4)NC(OC)=O)=O)cccc5; COC(=O)N[C
    @@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@@
    H](O)C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@
    H]5OCC[C@@H]45    		 methyl [(1S)-1-cyclopentyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
    31295
    OP8    		 1 C43 H69 N O13 InChI=1S/C43H69NO13/c1-10
    -28-32(47)21-31(46)26(5)3
    6(24(3)18-27-14-15-30(45)
    33(20-27)52-7)55-41(50)29
    -13-11-12-16-44(29)40(49)
    38(48)43(51)25(4)19-35(54
    -9)37(56-43)34(53-8)17-23
    (2)22-42(6)39(28)57-42/h1
    8,23,25-31,33-37,39,45-46
    ,51H,10-17,19-22H2,1-9H3/
    b24-18+/t23-,25-,26-,27+,
    28+,29+,30-,31+,33-,34+,3
    5+,36-,37-,39-,42-,43-/m1
    /s1;
    AENOGGYTSDNCLT-IEPMLCQJSA-N    		 CC[CH]1[CH]2O[C]2(C)C[CH](C)C[CH](OC)[CH
    ]3O[C](O)([CH](C)C[CH]3OC)C(=O)C(=O)N4CC
    CC[CH]4C(=O)O[CH]([CH](C)[CH](O)CC1=O)C(
    C)=C[CH]5CC[CH](O)[CH](C5)OC; CCC1C2C(O2
    )(CC(CC(C3C(CC(C(O3)(C(=O)C(=O)N4CCCCC4C
    (=O)OC(C(C(CC1=O)O)C)C(=CC5CCC(C(C5)OC)O
    )C)O)C)OC)OC)C)C; CC[C@@H]1[C@H]2O[C@]2(
    C)C[C@H](C)C[C@H](OC)[C@H]3O[C@](O)([C@H
    ](C)C[C@@H]3OC)C(=O)C(=O)N4CCCC[C@H]4C(=
    O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(/C)=C
    /[C@@H]5CC[C@@H](O)[C@@H](C5)OC; CC[C@@H
    ]1[C@@H]2[C@](O2)(C[C@@H](C[C@@H]([C@@H]
    3[C@H](C[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC
    [C@H]4C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)
    C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C
    )O)C)OC)OC)C)C    		 (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone
    31296
    OP9    		 1 C35 H36 N6 O5 InChI=1S/C35H36N6O5/c1-21
    -12-23(13-27-20-37-40-30(
    21)27)15-29-33(43)41(2)7-
    9-46-11-10-45-8-3-4-22-14
    -28-31(36-19-22)39-34(44)
    35(28)17-25-6-5-24(32(42)
    38-29)16-26(25)18-35/h3-6
    ,12-14,16,19-20,29H,7-11,
    15,17-18H2,1-2H3,(H,37,40
    )(H,38,42)(H,36,39,44)/b4
    -3+/t29-,35+/m1/s1;
    LJMGRDULDLZQAJ-MYUYIAROSA-N    		 CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5ccc(cc5
    C4)C(=O)N[CH](Cc6cc(C)c7n[nH]cc7c6)C1=O)
    c3c2; CN1CCOCCOC/C=C/c2cnc3NC(=O)[C@]4(C
    c5ccc(cc5C4)C(=O)N[C@H](Cc6cc(C)c7n[nH]c
    c7c6)C1=O)c3c2; Cc1cc(cc2c1n[nH]c2)C[C@@
    H]3C(=O)N(CCOCCOC/C=C/c4cc5c(nc4)NC(=O)[
    C@]56Cc7ccc(cc7C6)C(=O)N3)C; Cc1cc(cc2c1
    n[nH]c2)CC3C(=O)N(CCOCCOCC=Cc4cc5c(nc4)N
    C(=O)C56Cc7ccc(cc7C6)C(=O)N3)C    		 (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione
    31297
    OPA
    CHEMBL138806
    DB03102
    ZINC000002047294    		 2 C10 H9 N O6 S InChI=1S/C10H9NO6S/c12-7(
    10(15)16)11-8-6(9(13)14)4
    -1-2-17-3-5(4)18-8/h1-3H2
    ,(H,11,12)(H,13,14)(H,15,
    16);
    SNNOZMNTPOIDSI-UHFFFAOYSA-N    		 OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O; C1COCc2
    c1c(c(s2)NC(=O)C(=O)O)C(=O)O; O=C(O)C(=O
    )Nc1sc2c(c1C(=O)O)CCOC2    		 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID
    31298
    OPB
    CHEMBL1235001
    ZINC000001606505    		 5 C19 H20 N2 O3 InChI=1S/C19H20N2O3/c1-2-
    3-9-17-18(23)20(14-7-5-4-
    6-8-14)21(19(17)24)15-10-
    12-16(22)13-11-15/h4-8,10
    -13,17,22H,2-3,9H2,1H3/t1
    7-/m0/s1;
    HFHZKZSRXITVMK-KRWDZBQOSA-N    		 CCCCC1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3
    ; CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(cc2)O)c3
    ccccc3; CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(O)
    cc2)c3ccccc3; CCCC[CH]1C(=O)N(N(C1=O)c2c
    cc(O)cc2)c3ccccc3; O=C2N(c1ccc(O)cc1)N(C
    (=O)C2CCCC)c3ccccc3    		 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE;
    OXYPHENBUTAZONE
    31299
    OPC
    ZINC000098209269    		 0 C45 H87 N O8 P InChI=1S/C45H86NO8P/c1-7-
    9-11-13-15-17-19-21-23-25
    -27-29-31-33-35-37-43(47)
    51-41-45(3,42-53-55(49,50
    )52-40-39-46(4,5)6)54-44(
    48)38-36-34-32-30-28-26-2
    4-22-20-18-16-14-12-10-8-
    2/h23-26H,7-22,27-42H2,1-
    6H3/p+1/b25-23-,26-24+/t4
    5-/m1/s1;
    CTQFGTDUPDRLRZ-CNMUNUSJSA-O    		 CCCCCCCCCC=CCCCCCCC(=O)OCC(C)(COP(=O)(O)
    OCC[N+](C)(C)C)OC(=O)CCCCCCC=CCCCCCCCCC;
    CCCCCCCCC\C=C/CCCCCCC(=O)OC[C@](C)(CO[P
    @@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=
    C\CCCCCCCCC; CCCCCCCCCC=CCCCCCCC(=O)OC[C
    ](C)(CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC
    CCCCC=CCCCCCCCCC; O=C(OC(COP(=O)(OCC[N+]
    (C)(C)C)O)(C)COC(=O)CCCCCC\C=C/CCCCCCCCC
    )CCCCCC/C=C/CCCCCCCCC; CCCCCCCCC\C=C/CCC
    CCCC(=O)OC[C@](C)(CO[P@](O)(=O)OCC[N+](C
    )(C)C)OC(=O)CCCCCC/C=C/CCCCCCCCC    		 (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE;
    DIOLEOYL-PHOSPHATIDYLCHOLINE
    31300
    OPD
    DB03007    		 2 C18 H28 O3 InChI=1S/C18H28O3/c1-2-3-
    7-11-16-15(13-14-17(16)19
    )10-8-5-4-6-9-12-18(20)21
    /h3,7,13-16H,2,4-6,8-12H2
    ,1H3,(H,20,21)/t15-,16-/m
    1/s1;
    PMTMAFAPLCGXGK-HZPDHXFCSA-N    		 CCC=CC[CH]1[CH](CCCCCCCC(O)=O)C=CC1=O; C
    CC=CC[C@@H]1[C@@H](C=CC1=O)CCCCCCCC(=O)O
    ; CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)O; O=C1C
    =CC(CCCCCCCC(=O)O)C1C/C=C/CC; CCC=CC[C@@
    H]1[C@H](CCCCCCCC(O)=O)C=CC1=O    		 9R,13R-12-OXOPHYTODIENOIC ACID;
    9R,13R-OPDA
    31301
    OPE
    CHEMBL146972
    DB01738
    ZINC000003870166    		 71 C2 H8 N O4 P InChI=1S/C2H8NO4P/c3-1-2-
    7-8(4,5)6/h1-3H2,(H2,4,5,
    6);
    SUHOOTKUPISOBE-UHFFFAOYSA-N    		 C(COP(=O)(O)O)N; O=P(O)(O)OCCN; NCCO[P](
    O)(O)=O    		 PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER;
    COLAMINE PHOSPHORIC ACID
    31302
    OPF    		 2 C21 H30 N2 O4 InChI=1S/C21H30N2O4/c1-2-
    3-4-8-13-19(24)23-14-9-12
    -18(23)20(25)22-17(21(26)
    27)15-16-10-6-5-7-11-16/h
    5-7,10-11,17-18H,2-4,8-9,
    12-15H2,1H3,(H,22,25)(H,2
    6,27)/t17-,18-/m0/s1;
    KCUINPWAPBBNCA-ROUUACIJSA-N    		 CCCCCCC(=O)N1CCCC1C(=O)NC(Cc2ccccc2)C(=O
    )O; CCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C
    c2ccccc2)C(=O)O; CCCCCCC(=O)N1CCC[CH]1C(
    =O)N[CH](Cc2ccccc2)C(O)=O; CCCCCCC(=O)N1
    CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(O)=O    		 (2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid;
    N-enanthoyl-L-prolyl-L-phenylalanine
    31303
    OPG
    DB02394
    ZINC000033821452    		 1 C7 H12 O5 InChI=1S/C7H12O5/c8-2-7-4
    (12-7)1-3(9)5(10)6(7)11/h
    3-6,8-11H,1-2H2/t3-,4+,5+
    ,6-,7+/m0/s1;
    BDIDRHMZXLEMIZ-CXNFULCWSA-N    		 OCC12OC2CC(O)C(O)C1O; C1[C@@H]([C@H]([C@
    @H]([C@]2([C@@H]1O2)CO)O)O)O; C1C(C(C(C2
    (C1O2)CO)O)O)O; OC[C@@]12O[C@@H]1C[C@H](
    O)[C@@H](O)[C@@H]2O; OC[C]12O[CH]1C[CH](
    O)[CH](O)[CH]2O    		 OXIRANPSEUDOGLUCOSE
    31304
    OPH    		 0 C10 H12 O3 InChI=1S/C10H12O3/c1-13-1
    0(12)9(11)7-8-5-3-2-4-6-8
    /h2-6,9,11H,7H2,1H3/t9-/m
    0/s1;
    NMPPJJIBQQCOOI-VIFPVBQESA-N    		 COC(=O)[CH](O)Cc1ccccc1; COC(=O)[C@H](Cc
    1ccccc1)O; O=C(OC)C(O)Cc1ccccc1; COC(=O)
    C(Cc1ccccc1)O; COC(=O)[C@@H](O)Cc1ccccc1    		 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER
    31305
    OPI
    DB08328
    ZINC000053683082    		 2 C16 H30 N2 O6 InChI=1S/C16H30N2O6/c1-15
    (2,3)14(23)24-10-16(4,5)1
    2(21)13(22)18-7-6-11(20)1
    7-8-9-19/h12,19,21H,6-10H
    2,1-5H3,(H,17,20)(H,18,22
    )/t12-/m0/s1;
    BUEKNBNKVUKNIB-LBPRGKRZSA-N    		 CC(C)(C)C(=O)OCC(C)(C)[CH](O)C(=O)NCCC(=
    O)NCCO; CC(C)(C)C(=O)OCC(C)(C)[C@@H](O)C
    (=O)NCCC(=O)NCCO; CC(C)(C)C(=O)OCC(C)(C)
    [C@H](C(=O)NCCC(=O)NCCO)O; CC(C)(C)C(=O)
    OCC(C)(C)C(C(=O)NCCC(=O)NCCO)O; O=C(NCCC
    (=O)NCCO)C(O)C(COC(=O)C(C)(C)C)(C)C    		 PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID
    31306
    OPJ
    CHEMBL4646600    		 2 C33 H43 N3 O8 InChI=1S/C33H43N3O8/c1-41
    -32(40)36-33(15-8-9-16-33
    )30(38)35-26(19-23-12-6-3
    -7-13-23)27(37)20-24(18-2
    2-10-4-2-5-11-22)34-31(39
    )44-28-21-43-29-25(28)14-
    17-42-29/h2-7,10-13,24-29
    ,37H,8-9,14-21H2,1H3,(H,3
    4,39)(H,35,38)(H,36,40)/t
    24-,25-,26-,27-,28-,29+/m
    0/s1;
    YTBBVCQPJXFQBH-VEIVPZTASA-N    		 COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)
    [C@@H](O)C[C@H](Cc3ccccc3)NC(=O)O[C@H]4C
    O[C@H]5OCC[C@@H]45; COC(=O)NC1(CCCC1)C(=
    O)N[CH](Cc2ccccc2)[CH](O)C[CH](Cc3ccccc3
    )NC(=O)O[CH]4CO[CH]5OCC[CH]45; c1(ccccc1
    )CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4
    )O)NC(=O)C5(CCCC5)NC(=O)OC; COC(=O)NC1(C
    CCC1)C(=O)NC(Cc2ccccc2)C(CC(Cc3ccccc3)NC
    (=O)OC4COC5C4CCO5)O; COC(=O)NC1(CCCC1)C(
    =O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccc
    cc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate
    31307
    OPK    		 1 C19 H28 N4 O7 InChI=1S/C19H28N4O7/c1-12
    (2)16(18(25)26)22-17(24)1
    5(20)5-3-4-10-21-19(27)30
    -11-13-6-8-14(9-7-13)23(2
    8)29/h6-9,12,15-16H,3-5,1
    0-11,20H2,1-2H3,(H,21,27)
    (H,22,24)(H,25,26)/t15-,1
    6-/m0/s1;
    TZRRFQDYTMZNQR-HOTGVXAUSA-N    		 CC(C)[C@H](NC(=O)[C@@H](N)CCCCNC(=O)OCc1
    ccc(cc1)[N+]([O-])=O)C(O)=O; CC(C)[CH](N
    C(=O)[CH](N)CCCCNC(=O)OCc1ccc(cc1)[N+]([
    O-])=O)C(O)=O; CC(C)C(C(=O)O)NC(=O)C(CCC
    CNC(=O)OCc1ccc(cc1)[N+](=O)[O-])N; CC(C)
    [C@@H](C(=O)O)NC(=O)[C@H](CCCCNC(=O)OCc1
    ccc(cc1)[N+](=O)[O-])N    		 (2~{S})-2-[[(2~{S})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid
    31308
    OPL
    ZINC000098209270    		 2 C5 H10 O4 InChI=1S/C5H10O4/c1-3(5(8
    )9)4(7)2-6/h2-5,7-9H,1H3/
    t3-,4+/m1/s1;
    NTSABUYTFOFFJR-DMTCNVIQSA-N    		 CC(C(C=O)O)C(O)O; C[C@@H](C(O)O)[C@@H](O
    )C=O; O=CC(O)C(C)C(O)O; C[C@H]([C@H](C=O
    )O)C(O)O; C[CH](C(O)O)[CH](O)C=O    		 (2R,3R)-2,4,4-trihydroxy-3-methylbutanal
    31309
    OPM
    DB02695
    ZINC000005973254    		 1 C11 H22 O6 InChI=1S/C11H22O6/c1-2-3-
    4-5-16-11-10(15)9(14)8(13
    )7(6-12)17-11/h7-15H,2-6H
    2,1H3/t7-,8-,9+,10+,11+/m
    1/s1;
    RYIWDDCNJPSPRA-UVOCVTCTSA-N    		 O(CCCCC)C1OC(C(O)C(O)C1O)CO; CCCCCO[C@H]
    1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O; CC
    CCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O;
    CCCCCOC1C(C(C(C(O1)CO)O)O)O; CCCCCO[C@@H
    ]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O    		 pentyl alpha-D-mannopyranoside;
    O1-PENTYL-MANNOSE;
    pentyl alpha-D-mannoside;
    pentyl D-mannoside;
    pentyl mannoside
    31310
    OPN    		 0 C14 H17 N4 O4 InChI=1S/C14H16N4O4/c15-3
    -5-18(8-12(20)21)11(19)7-
    10-6-9-2-1-4-16-13(9)17-1
    4(10)22/h1-2,4,6H,3,5,7-8
    ,15H2,(H,20,21)(H,16,17,2
    2)/p+1;
    GHLDQLGYESXNRF-UHFFFAOYSA-O    		 [NH3+]CCN(CC(O)=O)C(=O)CC1=Cc2cccnc2NC1=
    O; c1cc2c(nc1)NC(=O)C(=C2)CC(=O)N(CC[NH3
    +])CC(=O)O; O=C(O)CN(C(=O)CC2=Cc1c(nccc1
    )NC2=O)CC[NH3+]    		 {(2-AMINO-ETHYL)-[2-(2-OXO-1,2-DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACETYL]-AMINO}-ACETIC ACID
    31311
    OPO
    CHEMBL14205
    ZINC000034719541    		 3 C6 H5 N O3 InChI=1S/C6H5NO3/c8-6-4-2
    -1-3-5(6)7(9)10/h1-4,8H;
    IQUPABOKLQSFBK-UHFFFAOYSA-N    		 c1ccc(c(c1)[N+](=O)[O-])O; Oc1ccccc1[N+]
    ([O-])=O; O=[N+]([O-])c1ccccc1O    		 O-NITROPHENOL
    31312
    OPP
    DB04085
    ZINC000002384689    		 0 C10 H8 N2 O5 InChI=1S/C10H8N2O5/c13-7-
    1-2-8(14)11(7)5-17-6-12-9
    (15)3-4-10(12)16/h1-4H,5-
    6H2;
    UTRLJOWPWILGSB-UHFFFAOYSA-N    		 O=C1C=CC(=O)N1COCN2C(=O)C=CC2=O; C1=CC(=
    O)N(C1=O)COCN2C(=O)C=CC2=O; O=C1N(C(=O)C
    =C1)COCN2C(=O)C=CC2=O    		 1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE
    31313
    OPQ
    ZINC000014945936    		 0 C30 H45 N3 O4 InChI=1S/C30H45N3O4/c1-6-
    8-15-31-27(35)19-26(34)25
    (16-20(3)4)32-30(37)29(21
    (5)7-2)33-28(36)18-22-13-
    14-23-11-9-10-12-24(23)17
    -22/h9-14,17,20-21,25-26,
    29,34H,6-8,15-16,18-19H2,
    1-5H3,(H,31,35)(H,32,37)(
    H,33,36)/t21-,25-,26-,29-
    /m0/s1;
    YHTKRGDAFFBWEU-KXDOSHFCSA-N    		 CCCCNC(=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH]
    (NC(=O)Cc1ccc2ccccc2c1)[CH](C)CC; O=C(NC
    CCC)CC(O)C(NC(=O)C(NC(=O)Cc2ccc1c(cccc1)
    c2)C(C)CC)CC(C)C; CCCCNC(=O)C[C@@H]([C@H
    ](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C
    c1ccc2ccccc2c1)O; CCCCNC(=O)CC(C(CC(C)C)
    NC(=O)C(C(C)CC)NC(=O)Cc1ccc2ccccc2c1)O;
    CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C
    @@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC    		 ((3S,4S)-4-((2S,3S)-2-(2-(NAPTHALEN-6-YL)ACETAMIDO)-3-METHYLPENTANAMIDO)-N-BUTYL-3-HYDROXY-6-METHYLHEPTANAMIDE)
    31314
    OPR
    ZINC000098209271    		 0 C9 H18 N4 O3 InChI=1S/C9H18N4O3/c10-6(
    2-1-5-13-9(11)12)7(14)3-4
    -8(15)16/h6H,1-5,10H2,(H,
    15,16)(H4,11,12,13)/t6-/m
    0/s1;
    AVCUSSJSPSVBEK-LURJTMIESA-N    		 O=C(C(N)CCCNC(=[N@H])N)CCC(=O)O; N[CH](C
    CCNC(N)=N)C(=O)CCC(O)=O; N[C@@H](CCCNC(N
    )=N)C(=O)CCC(O)=O; C(CC(C(=O)CCC(=O)O)N)
    CNC(=N)N; [H]/N=C(\N)/NCCC[C@@H](C(=O)CC
    C(=O)O)N    		 (5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid
    31315
    OPS
    DB04749    		 2 C6 H9 O2 S2 InChI=1S/C6H10O2S2/c7-3-1
    -5-10-6(8)2-4-9/h3,9H,1-2
    ,4-5H2/p-1;
    LHLHVBHXBHTTIV-UHFFFAOYSA-M    		 O=C(SCCC=O)CC[S-]; C(CSC(=O)CC[S-])C=O;
    [S-]CCC(=O)SCCC=O    		 3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPANE-1-THIOLATE;
    2-(3-OXO-PROPYLSULFANYLCARBONYL)-ETHANETHIOLATE
    31316
    OPT
    ZINC000098209272    		 2 C47 H55 N7 O5 S InChI=1S/C47H55N7O5S/c48-
    47(49)51-27-10-17-40(45(5
    8)54-41(29-34-20-24-39(55
    )25-21-34)44(57)50-28-26-
    33-11-4-1-5-12-33)53-46(5
    9)42(32-60-31-36-13-6-2-7
    -14-36)52-43(56)30-35-18-
    22-38(23-19-35)37-15-8-3-
    9-16-37/h1-9,11-16,18-25,
    40-42,47,51,55H,10,17,26-
    32,48-49H2,(H,50,57)(H,52
    ,56)(H,53,59)(H,54,58)/t4
    0-,41+,42+/m1/s1;
    IMZNRHOMBTZKJS-IWSHAHEXSA-N    		 c1ccc(cc1)CCNC(=O)[C@H](Cc2ccc(cc2)O)NC(
    =O)[C@@H](CCCNC(N)N)NC(=O)[C@H](CSCc3ccc
    cc3)NC(=O)Cc4ccc(cc4)c5ccccc5; O=C(NC(C(
    =O)NC(C(=O)NC(C(=O)NCCc1ccccc1)Cc2ccc(O)
    cc2)CCCNC(N)N)CSCc3ccccc3)Cc5ccc(c4ccccc
    4)cc5; c1ccc(cc1)CCNC(=O)C(Cc2ccc(cc2)O)
    NC(=O)C(CCCNC(N)N)NC(=O)C(CSCc3ccccc3)NC
    (=O)Cc4ccc(cc4)c5ccccc5; NC(N)NCCC[C@@H]
    (NC(=O)[C@H](CSCc1ccccc1)NC(=O)Cc2ccc(cc
    2)c3ccccc3)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=
    O)NCCc5ccccc5; NC(N)NCCC[CH](NC(=O)[CH](
    CSCc1ccccc1)NC(=O)Cc2ccc(cc2)c3ccccc3)C(
    =O)N[CH](Cc4ccc(O)cc4)C(=O)NCCc5ccccc5    		 S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide
    31317
    OPU    		 1 C17 H15 Cl N4 O2 InChI=1S/C17H15ClN4O2/c1-
    10-4-6-22-9-19-21-16(22)1
    5(10)20-17(23)12-5-7-24-1
    4-3-2-11(18)8-13(12)14/h2
    -4,6,8-9,12H,5,7H2,1H3,(H
    ,20,23)/t12-/m1/s1;
    AFDLQIMJQFTLQM-GFCCVEGCSA-N    		 Cc1ccn2cnnc2c1NC(=O)C3CCOc4c3cc(cc4)Cl;
    Cc1ccn2cnnc2c1NC(=O)[CH]3CCOc4ccc(Cl)cc3
    4; Cc1ccn2cnnc2c1NC(=O)[C@@H]3CCOc4ccc(C
    l)cc34; Cc1ccn2cnnc2c1NC(=O)[C@@H]3CCOc4
    c3cc(cc4)Cl; Cc1ccn2cnnc2c1NC(=O)C1CCOc2
    ccc(Cl)cc21    		 (4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    31318
    OPV    		 5 C16 H18 N4 O5 InChI=1S/C16H18N4O5/c1-9-
    13(19-15(23)11-3-2-4-12(2
    1)14(11)22)16(24)20(25-9)
    6-5-10-7-17-8-18-10/h2-4,
    7-9,13,21-22H,5-6H2,1H3,(
    H,17,18)(H,19,23)/t9-,13-
    /m0/s1;
    YQXURFXJBIFMOA-ZANVPECISA-N    		 C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(
    =O)c3cccc(c3O)O; C[CH]1ON(CCc2c[nH]cn2)C
    (=O)[CH]1NC(=O)c3cccc(O)c3O; CC1C(C(=O)N
    (O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O; C[C
    @@H]1ON(CCc2c[nH]cn2)C(=O)[C@H]1NC(=O)c3
    cccc(O)c3O    		 ~{N}-[(4~{S},5~{S})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide
    31319
    OPW
    CHEMBL5288595    		 4 C15 H13 N3 O2 S InChI=1S/C15H13N3O2S/c1-9
    (19)17-11-5-10(7-16-8-11)
    15-18-13-6-12(20-2)3-4-14
    (13)21-15/h3-8H,1-2H3,(H,
    17,19);
    JLUXIHDOQQZMIZ-UHFFFAOYSA-N    		 CC(=O)Nc1cc(cnc1)c2nc3cc(ccc3s2)OC; COc1
    ccc2sc(nc2c1)c3cncc(NC(C)=O)c3    		 ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide
    31320
    OPX
    ZINC000263620979    		 8 C12 H23 N O5 S InChI=1S/C12H23NO5S/c14-1
    0-6-12(7-11(10)15,19(16,1
    7)18)8-13-9-4-2-1-3-5-9/h
    9-11,13-15H,1-8H2,(H,16,1
    7,18)/t10-,11+,12-;
    RMLVAYWMDDDXFB-ZSBIGDGJSA-N    		 O[C@@H]1C[C@](CNC2CCCCC2)(C[C@@H]1O)[S](
    O)(=O)=O; C1CCC(CC1)NCC2(CC(C(C2)O)O)S(=
    O)(=O)O; C1CCC(CC1)NCC2(C[C@H]([C@H](C2)
    O)O)S(=O)(=O)O; O[CH]1C[C](CNC2CCCCC2)(C
    [CH]1O)[S](O)(=O)=O; O=S(=O)(O)C1(CC(O)C
    (O)C1)CNC2CCCCC2    		 (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid
    31321
    OPY
    CHEMBL93505
    ZINC000013529512    		 4 C9 H19 N3 O InChI=1S/C9H19N3O/c10-5-4
    -8(11)9(13)12-6-2-1-3-7-1
    2/h8H,1-7,10-11H2/t8-/m0/
    s1;
    RKBKYSFKXFKBBM-QMMMGPOBSA-N    		 NCC[C@H](N)C(=O)N1CCCCC1; O=C(N1CCCCC1)C
    (N)CCN; NCC[CH](N)C(=O)N1CCCCC1; C1CCN(C
    C1)C(=O)C(CCN)N; C1CCN(CC1)C(=O)[C@H](CC
    N)N    		 (3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine;
    GSK237826A
    31322
    OPZ    		 3 C16 H18 N4 O5 InChI=1S/C16H18N4O5/c1-9-
    13(19-15(23)11-3-2-4-12(2
    1)14(11)22)16(24)20(25-9)
    6-5-10-7-17-8-18-10/h2-4,
    7-9,13,21-22H,5-6H2,1H3,(
    H,17,18)(H,19,23)/t9-,13+
    /m1/s1;
    YQXURFXJBIFMOA-RNCFNFMXSA-N    		 C[C@@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC
    (=O)c3cccc(c3O)O; C[CH]1ON(CCc2c[nH]cn2)
    C(=O)[CH]1NC(=O)c3cccc(O)c3O; C[C@H]1ON(
    CCc2c[nH]cn2)C(=O)[C@H]1NC(=O)c3cccc(O)c
    3O; CC1C(C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3
    cccc(c3O)O    		 ~{N}-[(4~{S},5~{R})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide
    31323
    OQ1
    CHEMBL4111094    		 4 C9 H14 F2 N2 O3 S InChI=1S/C9H14F2N2O3S/c1-
    2-12-9-13-3-4(14)5(15)6(7
    (10)11)16-8(3)17-9/h3-8,1
    4-15H,2H2,1H3,(H,12,13)/t
    3-,4-,5+,6+,8-/m1/s1;
    UDQTXCHQKHIQMH-KYGLGHNPSA-N    		 CCNC1=N[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C
    @@H]2S1)C(F)F; CCNC1=NC2C(C(C(OC2S1)C(F)
    F)O)O; CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](
    O[C@@H]2S1)C(F)F)O)O; C1(O)C(C(F)F)OC2C(
    C1O)N=C(S2)NCC; CCNC1=N[CH]2[CH](O)[CH](
    O)[CH](O[CH]2S1)C(F)F    		 (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
    31324
    OQ2    		 2 C33 H40 F3 N7 O3 InChI=1S/C33H40F3N7O3/c1-
    4-30(44)43-13-11-26(21-43
    )39-32-37-12-10-29(40-32)
    46-28-18-23(7-6-22(28)3)3
    1(45)38-25-9-8-24(27(19-2
    5)33(34,35)36)20-42-16-14
    -41(5-2)15-17-42/h6-10,12
    ,18-19,26H,4-5,11,13-17,2
    0-21H2,1-3H3,(H,38,45)(H,
    37,39,40)/t26-/m1/s1;
    UGBPGPFLKSJLMW-AREMUKBSSA-N    		 CCC(=O)N1CC[C@H](C1)Nc2nccc(n2)Oc3cc(ccc
    3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)
    CC; CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(O
    c4ccnc(N[C@@H]5CCN(C5)C(=O)CC)n4)c3)cc2C
    (F)(F)F; CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(
    C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)c
    c2C(F)(F)F; CCC(=O)N1CCC(C1)Nc2nccc(n2)O
    c3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5
    CCN(CC5)CC    		 ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
    31325
    OQ3    		 2 C11 H12 Br N O2 S InChI=1S/C11H12BrNO2S/c1-
    13(2-3-16)11(15)9-4-8(7-1
    4)5-10(12)6-9/h4-7,16H,2-
    3H2,1H3;
    ICFMGGBKNVWXGF-UHFFFAOYSA-N    		 CN(CCS)C(=O)c1cc(cc(c1)Br)C=O; CN(CCS)C(
    =O)c1cc(Br)cc(C=O)c1    		 3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
    31326
    OQ4
    CHEMBL4650827
    DB18515    		 4 C32 H47 F N6 O4 S InChI=1S/C32H47FN6O4S/c1-
    5-39(23(3)4)31(40)27-17-2
    5(33)9-12-28(27)43-29-18-
    34-22-35-30(29)38-20-32(2
    1-38)13-15-37(16-14-32)19
    -24-7-10-26(11-8-24)36-44
    (41,42)6-2/h9,12,17-18,22
    -24,26,36H,5-8,10-11,13-1
    6,19-21H2,1-4H3/t24-,26-;
    FRVSRBKUQZKTOW-YOCNBXQISA-N    		 CCN(C(C)C)C(=O)c1cc(F)ccc1Oc2cncnc2N3CC4
    (CCN(CC4)C[CH]5CC[CH](CC5)N[S](=O)(=O)CC
    )C3; CCN(C(C)C)C(=O)c1cc(F)ccc1Oc2cncnc2
    N3CC4(CCN(CC4)C[C@H]5CC[C@@H](CC5)N[S](=
    O)(=O)CC)C3; CCN(C(C)C)C(=O)c1cc(ccc1Oc2
    cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)
    (=O)CC)F; CC(C)N(CC)C(=O)c1cc(F)ccc1Oc1c
    ncnc1N1CC2(CCN(CC2)CC2CCC(NS(=O)(=O)CC)C
    C2)C1    		 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide
    31327
    OQ5    		 1 C41 H76 N4 O12 InChI=1S/C41H76N4O12/c1-3
    -45(4-2)39(49)34-57-32-30
    -55-28-26-43-38(48)33-56-
    31-29-54-27-25-42-36(46)2
    4-23-35(41(52)53)44-37(47
    )21-19-17-15-13-11-9-7-5-
    6-8-10-12-14-16-18-20-22-
    40(50)51/h35H,3-34H2,1-2H
    3,(H,42,46)(H,43,48)(H,44
    ,47)(H,50,51)(H,52,53)/t3
    5-/m0/s1;
    WDVDVVCOWIIDFM-DHUJRADRSA-N    		 CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC
    [C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)C(O
    )=O; CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(
    =O)CC[CH](NC(=O)CCCCCCCCCCCCCCCCCCC(O)=O
    )C(O)=O; CCN(CC)C(=O)COCCOCCNC(=O)COCCOC
    CNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCC
    CCCCCCCC(=O)O; CCN(CC)C(=O)COCCOCCNC(=O)
    COCCOCCNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCC
    CCCCCCCCC(=O)O    		 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid
    31328
    OQ6    		 1 C28 H25 Cl N8 O3 InChI=1S/C28H25ClN8O3/c1-
    40-28(38)32-23-8-4-19(5-9
    -23)21-14-31-35(15-21)27(
    12-18-2-3-18)26-10-6-20(1
    6-37(26)39)24-13-22(29)7-
    11-25(24)36-17-30-33-34-3
    6/h4-11,13-18,27H,2-3,12H
    2,1H3,(H,32,38)/t27-/m1/s
    1;
    HRJWNRPDBZGIOP-HHHXNRCGSA-N    		 COC(=O)Nc1ccc(cc1)c2cnn(c2)C(CC3CC3)c4cc
    c(c[n+]4[O-])c5cc(ccc5n6cnnn6)Cl; COC(=O
    )Nc1ccc(cc1)c2cnn(c2)[C@H](CC3CC3)c4ccc(
    c[n+]4[O-])c5cc(Cl)ccc5n6cnnn6; COC(=O)N
    c1ccc(cc1)c2cnn(c2)[C@H](CC3CC3)c4ccc(c[
    n+]4[O-])c5cc(ccc5n6cnnn6)Cl; Clc1cc(c(c
    c1)n1cnnn1)c1c[n+]([O-])c(cc1)C(CC1CC1)n
    1cc(cn1)c1ccc(NC(=O)OC)cc1; COC(=O)Nc1cc
    c(cc1)c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+]4[
    O-])c5cc(Cl)ccc5n6cnnn6    		 methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
    31329
    OQ7
    CHEMBL4644235    		 2 C34 H45 N3 O8 InChI=1S/C34H45N3O8/c1-42
    -33(40)37-30(24-14-8-9-15
    -24)31(39)35-25(18-22-10-
    4-2-5-11-22)20-28(38)27(1
    9-23-12-6-3-7-13-23)36-34
    (41)45-29-21-44-32-26(29)
    16-17-43-32/h2-7,10-13,24
    -30,32,38H,8-9,14-21H2,1H
    3,(H,35,39)(H,36,41)(H,37
    ,40)/t25-,26-,27-,28-,29-
    ,30-,32+/m0/s1;
    PFQCUMURCZHTBY-NNDBWJOKSA-N    		 COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@H](C[C@H
    ](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@H]
    4OCC[C@@H]34)Cc5ccccc5; COC(=O)N[C@@H](C
    1CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C
    @H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H
    ]4CCO5)O; COC(=O)N[CH](C1CCCC1)C(=O)N[CH
    ](C[CH](O)[CH](Cc2ccccc2)NC(=O)O[CH]3CO[
    CH]4OCC[CH]34)Cc5ccccc5; C2C1C(COC1OC2)O
    C(=O)NC(Cc3ccccc3)C(CC(Cc4ccccc4)NC(C(C5
    CCCC5)NC(OC)=O)=O)O; COC(=O)NC(C1CCCC1)C
    (=O)NC(Cc2ccccc2)CC(C(Cc3ccccc3)NC(=O)OC
    4COC5C4CCO5)O    		 methyl [(1S)-1-cyclopentyl-2-({(2S,4S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
    31330
    OQ8    		 2 C33 H40 F3 N7 O3 InChI=1S/C33H40F3N7O3/c1-
    4-30(44)43-13-11-26(21-43
    )39-32-37-12-10-29(40-32)
    46-28-18-23(7-6-22(28)3)3
    1(45)38-25-9-8-24(27(19-2
    5)33(34,35)36)20-42-16-14
    -41(5-2)15-17-42/h6-10,12
    ,18-19,26H,4-5,11,13-17,2
    0-21H2,1-3H3,(H,38,45)(H,
    37,39,40)/t26-/m0/s1;
    UGBPGPFLKSJLMW-SANMLTNESA-N    		 CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc
    nc(N[C@H]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F
    )F; CCC(=O)N1CC[C@@H](C1)Nc2nccc(n2)Oc3c
    c(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN
    (CC5)CC; CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(
    C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)c
    c2C(F)(F)F; CCC(=O)N1CCC(C1)Nc2nccc(n2)O
    c3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5
    CCN(CC5)CC    		 ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
    31331
    OQ9    		 1 C11 H13 N O2 S InChI=1S/C11H13NO2S/c1-12
    (6-7-15)11(14)10-4-2-9(8-
    13)3-5-10/h2-5,8,15H,6-7H
    2,1H3;
    QWNZTSSYNZIANR-UHFFFAOYSA-N    		 CN(CCS)C(=O)c1ccc(cc1)C=O; CN(CCS)C(=O)c
    1ccc(C=O)cc1    		 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
    31332
    OQA
    CHEMBL4641949    		 2 C33 H45 N3 O8 InChI=1S/C33H45N3O8/c1-4-
    21(2)29(36-32(39)41-3)30(
    38)35-26(18-23-13-9-6-10-
    14-23)27(37)19-24(17-22-1
    1-7-5-8-12-22)34-33(40)44
    -28-20-43-31-25(28)15-16-
    42-31/h5-14,21,24-29,31,3
    7H,4,15-20H2,1-3H3,(H,34,
    40)(H,35,38)(H,36,39)/t21
    -,24+,25+,26+,27+,28+,29+
    ,31-/m1/s1;
    ZTHXXPRDWPPMMG-CDZRAOLRSA-N    		 CC[C@@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1
    )[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[
    C@@H]4[C@H]3CCO4)O)NC(=O)OC; CC[CH](C)[C
    H](NC(=O)OC)C(=O)N[CH](Cc1ccccc1)[CH](O)
    C[CH](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[C
    H]34; c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OC
    C3)=O)Cc4ccccc4)O)NC(=O)C(C(CC)C)NC(OC)=
    O; CCC(C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2ccc
    cc2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC; CC[C
    @@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc
    ccc1)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)O[C
    @H]3CO[C@H]4OCC[C@@H]34    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    31333
    OQB
    CHEMBL202160
    ZINC000028569328    		 2 C26 H22 N6 O5 InChI=1S/C26H22N6O5/c33-1
    5-20(11-24(34)35)31-26(37
    )17-7-10-19(27-12-17)13-2
    9-25(36)16-5-8-18(9-6-16)
    30-23-14-28-21-3-1-2-4-22
    (21)32-23/h1-10,12,14-15,
    20H,11,13H2,(H,29,36)(H,3
    0,32)(H,31,37)(H,34,35)/t
    20-/m0/s1;
    GOTFAMYWTAZALY-FQEVSTJZSA-N    		 OC(=O)C[CH](NC(=O)c1ccc(CNC(=O)c2ccc(Nc3
    cnc4ccccc4n3)cc2)nc1)C=O; c1ccc2c(c1)ncc
    (n2)Nc3ccc(cc3)C(=O)NCc4ccc(cn4)C(=O)NC(
    CC(=O)O)C=O; OC(=O)C[C@H](NC(=O)c1ccc(CN
    C(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)nc1)C=O;
    c1ccc2c(c1)ncc(n2)Nc3ccc(cc3)C(=O)NCc4cc
    c(cn4)C(=O)N[C@@H](CC(=O)O)C=O; O=C(O)CC
    (C=O)NC(=O)c1cnc(cc1)CNC(=O)c4ccc(Nc2nc3
    c(nc2)cccc3)cc4    		 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID
    31334
    OQC
    CHEMBL4116165    		 5 C11 H10 Cl N O InChI=1S/C11H10ClNO/c12-1
    1-5-8(6-13)1-2-10(11)9-3-
    4-14-7-9/h1-5,7H,6,13H2;
    QCBBLYZCXYKKFL-UHFFFAOYSA-N    		 c1cc(c(cc1CN)Cl)c2ccoc2; NCc1ccc(c(Cl)c1
    )c2cocc2    		 [3-chloranyl-4-(furan-3-yl)phenyl]methanamine
    31335
    OQD
    CHEMBL4648539    		 2 C33 H45 N3 O8 InChI=1S/C33H45N3O8/c1-4-
    21(2)29(36-32(39)41-3)30(
    38)35-26(18-23-13-9-6-10-
    14-23)27(37)19-24(17-22-1
    1-7-5-8-12-22)34-33(40)44
    -28-20-43-31-25(28)15-16-
    42-31/h5-14,21,24-29,31,3
    7H,4,15-20H2,1-3H3,(H,34,
    40)(H,35,38)(H,36,39)/t21
    -,24-,25-,26-,27-,28-,29-
    ,31+/m0/s1;
    ZTHXXPRDWPPMMG-BDOBJAQCSA-N    		 CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc
    1ccccc1)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)
    O[C@H]3CO[C@H]4OCC[C@@H]34; c1(ccccc1)CC
    (C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)
    NC(=O)C(C(C)CC)NC(OC)=O; CC[CH](C)[CH](N
    C(=O)OC)C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH
    ](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34
    ; CCC(C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2cccc
    c2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC; CC[C@
    H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]
    (C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4
    [C@H]3CCO4)O)NC(=O)OC    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    31336
    OQE
    ZINC000013629125    		 3 C16 H18 N O5 P InChI=1S/C16H18NO5P/c18-1
    6(17-11-10-13-6-2-1-3-7-1
    3)12-22-14-8-4-5-9-15(14)
    23(19,20)21/h1-9H,10-12H2
    ,(H,17,18)(H2,19,20,21);
    FRNXSTXSXYWTDK-UHFFFAOYSA-N    		 c1ccc(cc1)CCNC(=O)COc2ccccc2P(=O)(O)O; O
    [P](O)(=O)c1ccccc1OCC(=O)NCCc2ccccc2    		 [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid
    31337
    OQF    		 1 C20 H20 N6 O S InChI=1S/C20H20N6OS/c1-24
    (2)16-7-9-17(10-8-16)25(1
    1-15-13-28-14-21-15)20(27
    )12-26-19-6-4-3-5-18(19)2
    2-23-26/h3-10,13-14H,11-1
    2H2,1-2H3;
    BZTBYCRNDCQTCD-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn3c4cccc
    c4nn3; CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn
    3nnc4ccccc34; O=C(Cn1nnc2ccccc21)N(Cc1cs
    cn1)c1ccc(cc1)N(C)C    		 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide
    31338
    OQG
    CHEMBL4639819    		 2 C32 H43 N3 O8 InChI=1S/C32H43N3O8/c1-20
    (2)28(35-31(38)40-3)29(37
    )34-25(17-22-12-8-5-9-13-
    22)26(36)18-23(16-21-10-6
    -4-7-11-21)33-32(39)43-27
    -19-42-30-24(27)14-15-41-
    30/h4-13,20,23-28,30,36H,
    14-19H2,1-3H3,(H,33,39)(H
    ,34,37)(H,35,38)/t23-,24-
    ,25-,26-,27-,28-,30+/m0/s
    1;
    WVKJHIVGBANALA-DMVQEWIISA-N    		 COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc
    cc1)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)O[C@
    H]3CO[C@H]4OCC[C@@H]34; COC(=O)N[CH](C(C
    )C)C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2
    ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34; CC(
    C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2ccccc2)NC(
    =O)OC3COC4C3CCO4)O)NC(=O)OC; c1(ccccc1)C
    C(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O
    )NC(=O)C(C(C)C)NC(OC)=O; CC(C)[C@@H](C(=
    O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2cccc
    c2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC
    (=O)OC    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    31339
    OQH    		 1 C12 H15 N O2 InChI=1S/C12H15NO2/c1-2-1
    3-12(15)9-8-11(14)10-6-4-
    3-5-7-10/h3-7H,2,8-9H2,1H
    3,(H,13,15);
    DSZHWKIWJYHWTO-UHFFFAOYSA-N    		 CCNC(=O)CCC(=O)c1ccccc1 ~{N}-ethyl-4-oxidanylidene-4-phenyl-butanamide
    31340
    OQI
    CHEMBL5195600    		 1 C28 H24 Cl F N8 O3 InChI=1S/C28H24ClFN8O3/c1
    -41-28(39)33-21-7-4-18(5-
    8-21)20-13-32-36(14-20)25
    (12-17-2-3-17)23-10-6-19(
    15-38(23)40)26-24(37-16-3
    1-34-35-37)11-9-22(29)27(
    26)30/h4-11,13-17,25H,2-3
    ,12H2,1H3,(H,33,39)/t25-/
    m1/s1;
    UEZIPJPABXSKCS-RUZDIDTESA-N    		 COC(=O)Nc1ccc(cc1)c2cnn(c2)[C@H](CC3CC3)
    c4ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6;
    COC(=O)Nc1ccc(cc1)c2cnn(c2)[C@H](CC3CC3
    )c4ccc(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6
    ; Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(c
    c1)C(CC1CC1)n1cc(cn1)c1ccc(NC(=O)OC)cc1;
    COC(=O)Nc1ccc(cc1)c2cnn(c2)C(CC3CC3)c4c
    cc(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6; CO
    C(=O)Nc1ccc(cc1)c2cnn(c2)[CH](CC3CC3)c4c
    cc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6    		 methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
    31341
    OQJ
    CHEMBL4755144
    ZINC000033008219    		 1 C22 H17 Cl N4 O3 S InChI=1S/C22H17ClN4O3S/c1
    -30-18-10-7-14(23)11-17(1
    8)25-21(29)24-15-8-9-16-1
    9(12-15)31-22(26-16)27-20
    (28)13-5-3-2-4-6-13/h2-12
    H,1H3,(H2,24,25,29)(H,26,
    27,28);
    GFYCKNKAOMHFQF-UHFFFAOYSA-N    		 COc1ccc(Cl)cc1NC(=O)Nc2ccc3nc(NC(=O)c4cc
    ccc4)sc3c2; COc1ccc(cc1NC(=O)Nc2ccc3c(c2
    )sc(n3)NC(=O)c4ccccc4)Cl; c1cc(c(cc1Cl)N
    C(Nc4ccc2c(sc(n2)NC(=O)c3ccccc3)c4)=O)OC    		 N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide
    31342
    OQK    		 1 C17 H11 F3 N4 O2 S InChI=1S/C17H11F3N4O2S/c1
    8-17(19,20)12-7-5-10(6-8-
    12)14-22-23-16(27)24(14)2
    1-9-11-3-1-2-4-13(11)15(2
    5)26/h1-9H,(H,23,27)(H,25
    ,26)/b21-9+;
    XSLMCXSXQVUMLN-ZVBGSRNCSA-N    		 OC(=O)c1ccccc1C=Nn2c(S)nnc2c3ccc(cc3)C(F
    )(F)F; OC(=O)c1ccccc1/C=N/n2c(S)nnc2c3cc
    c(cc3)C(F)(F)F; c1ccc(c(c1)/C=N/n2c(nnc2
    S)c3ccc(cc3)C(F)(F)F)C(=O)O; c1ccc(c(c1)
    C=Nn2c(nnc2S)c3ccc(cc3)C(F)(F)F)C(=O)O    		 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
    31343
    OQL    		 4 C19 H16 Cl N3 O InChI=1S/C19H16ClN3O/c20-
    13-5-6-17-16(9-13)15(7-8-
    22-17)19(24)23-18-11-21-1
    0-12-3-1-2-4-14(12)18/h1-
    6,9-11,15,22H,7-8H2,(H,23
    ,24)/t15-/m1/s1;
    TUZBEGQKTWHIIP-OAHLLOKOSA-N    		 Clc1ccc2NCC[CH](C(=O)Nc3cncc4ccccc34)c2c
    1; c1ccc2c(c1)cncc2NC(=O)C3CCNc4c3cc(cc4
    )Cl; Clc1ccc2NCC[C@@H](C(=O)Nc3cncc4cccc
    c34)c2c1; Clc1ccc2NCCC(c2c1)C(=O)Nc1cncc
    2ccccc21; c1ccc2c(c1)cncc2NC(=O)[C@@H]3C
    CNc4c3cc(cc4)Cl    		 (4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
    31344
    OQM
    CHEMBL4788009
    ZINC000046023899    		 1 C21 H17 F3 N6 O InChI=1S/C21H17F3N6O/c1-1
    2-17(10-18(31)27-16-7-3-6
    -15(9-16)21(22,23)24)13(2
    )30-20(26-12)28-19(29-30)
    14-5-4-8-25-11-14/h3-9,11
    H,10H2,1-2H3,(H,27,31);
    MTJCWZPTCSKXKK-UHFFFAOYSA-N    		 Cc1c(c(n2c(n1)nc(n2)c3cccnc3)C)CC(=O)Nc4
    cccc(c4)C(F)(F)F; c3(c1cnccc1)nc2nc(c(c(
    C)n2n3)CC(=O)Nc4cc(ccc4)C(F)(F)F)C; Cc1n
    c2nc(nn2c(C)c1CC(=O)Nc3cccc(c3)C(F)(F)F)
    c4cccnc4    		 2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
    31345
    OQN    		 3 C18 H18 N6 O InChI=1S/C18H18N6O/c1-20-
    18-21-13-9-12-14(22-17(19
    )24-16(12)25)11(15(13)23-
    18)8-7-10-5-3-2-4-6-10/h2
    -6,9H,7-8H2,1H3,(H2,20,21
    ,23)(H3,19,22,24,25);
    WJCDAOMLVZDAIC-UHFFFAOYSA-N    		 CNc1[nH]c2c(CCc3ccccc3)c4N=C(N)NC(=O)c4c
    c2n1; CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N
    =C(NC3=O)N    		 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one;
    6-azanyl-2-(methylamino)-4-(2-phenylethyl)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
    31346
    OQO    		 1 C26 H23 Cl F N9 O InChI=1S/C26H23ClFN9O/c1-
    15-19(5-9-24(29)32-15)18-
    11-31-35(12-18)23(10-16-2
    -3-16)21-7-4-17(13-37(21)
    38)25-22(36-14-30-33-34-3
    6)8-6-20(27)26(25)28/h4-9
    ,11-14,16,23H,2-3,10H2,1H
    3,(H2,29,32)/t23-/m1/s1;
    LGWUJLNQWXJMJR-HSZRJFAPSA-N    		 Cc1c(ccc(n1)N)c2cnn(c2)[C@H](CC3CC3)c4cc
    c(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6; Cc1
    nc(N)ccc1c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+
    ]4[O-])c5c(F)c(Cl)ccc5n6cnnn6; Cc1c(ccc(
    n1)N)c2cnn(c2)C(CC3CC3)c4ccc(c[n+]4[O-])
    c5c(ccc(c5F)Cl)n6cnnn6; Fc1c(Cl)ccc(n2cn
    nn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(c
    n1)c1ccc(N)nc1C; Cc1nc(N)ccc1c2cnn(c2)[C
    @H](CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c(Cl)c
    cc5n6cnnn6    		 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine
    31347
    OQP
    CHEMBL4647359    		 2 C33 H43 N3 O8 InChI=1S/C33H43N3O8/c1-41
    -32(40)36-33(15-8-9-16-33
    )30(38)34-24(18-22-10-4-2
    -5-11-22)20-27(37)26(19-2
    3-12-6-3-7-13-23)35-31(39
    )44-28-21-43-29-25(28)14-
    17-42-29/h2-7,10-13,24-29
    ,37H,8-9,14-21H2,1H3,(H,3
    4,38)(H,35,39)(H,36,40)/t
    24-,25-,26-,27-,28-,29+/m
    0/s1;
    RTQWXKCFXHCIFO-VEIVPZTASA-N    		 COC(=O)NC1(CCCC1)C(=O)N[CH](C[CH](O)[CH]
    (Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34)
    Cc5ccccc5; COC(=O)NC1(CCCC1)C(=O)NC(Cc2c
    cccc2)CC(C(Cc3ccccc3)NC(=O)OC4COC5C4CCO5
    )O; COC(=O)NC1(CCCC1)C(=O)N[C@H](C[C@H](
    O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@H]4O
    CC[C@@H]34)Cc5ccccc5; C2(C1CCOC1OC2)OC(=
    O)NC(Cc3ccccc3)C(CC(Cc4ccccc4)NC(C5(CCCC
    5)NC(=O)OC)=O)O; COC(=O)NC1(CCCC1)C(=O)N
    [C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3
    )NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate
    31348
    OQQ    		 2 C19 H17 F3 N6 O InChI=1S/C19H17F3N6O/c1-2
    4-18-25-13-8-12-14(26-17(
    23)28-16(12)29)11(15(13)2
    7-18)7-4-9-2-5-10(6-3-9)1
    9(20,21)22/h2-3,5-6,8H,4,
    7H2,1H3,(H2,24,25,27)(H3,
    23,26,28,29);
    ZWUPQNLDYYEWTK-UHFFFAOYSA-N    		 CNc1[nH]c2cc3c(c(c2n1)CCc4ccc(cc4)C(F)(F
    )F)NC(=NC3=O)N; CNc1[nH]c2cc3C(=O)N=C(N)
    Nc3c(CCc4ccc(cc4)C(F)(F)F)c2n1    		 6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one;
    6-azanyl-2-(methylamino)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,5-dihydroimidazo[4,5-g]quinazolin-8-one
    31349
    OQR
    CHEMBL1403931
    ZINC000000000570    		 3 C14 H21 N3 O3 InChI=1S/C14H21N3O3/c1-9(
    2)15-7-12-4-3-10-5-11(8-1
    8)14(17(19)20)6-13(10)16-
    12/h5-6,9,12,15-16,18H,3-
    4,7-8H2,1-2H3/t12-/m1/s1;
    XCGYUJZMCCFSRP-GFCCVEGCSA-N    		 CC(C)NC[C@H]1CCc2cc(c(cc2N1)[N+](=O)[O-]
    )CO; CC(C)NCC1CCc2cc(c(cc2N1)[N+](=O)[O-
    ])CO; C2Cc1cc(CO)c(cc1NC2CNC(C)C)[N+]([O
    -])=O; CC(C)NC[CH]1CCc2cc(CO)c(cc2N1)[N+
    ]([O-])=O; CC(C)NC[C@H]1CCc2cc(CO)c(cc2N
    1)[N+]([O-])=O    		 {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol;
    oxamniquine
    31350
    OQS
    CHEMBL4739922
    ZINC000001330777    		 1 C21 H15 Cl F3 N5 O3 InChI=1S/C21H15ClF3N5O3/c
    1-33-14-5-3-13(4-6-14)30-
    19-15(9-27-30)20(32)29(11
    -26-19)10-18(31)28-17-8-1
    2(21(23,24)25)2-7-16(17)2
    2/h2-9,11H,10H2,1H3,(H,28
    ,31);
    VVMPLFOVCSRJQQ-UHFFFAOYSA-N    		 COc1ccc(cc1)n2c3c(cn2)C(=O)N(C=N3)CC(=O)
    Nc4cc(ccc4Cl)C(F)(F)F; COc1ccc(cc1)n2ncc
    3C(=O)N(CC(=O)Nc4cc(ccc4Cl)C(F)(F)F)C=Nc
    23; c4c(n3ncc2C(N(CC(Nc1c(ccc(C(F)(F)F)c
    1)Cl)=O)C=Nc23)=O)ccc(c4)OC    		 N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
    31351
    OQT    		 1 C16 H13 F3 N2 O2 S InChI=1S/C16H13F3N2O2S/c1
    7-11-8-12(18)15(16(14(11)
    19)24(20,22)23)21-13-7-3-
    5-9-4-1-2-6-10(9)13/h1-4,
    6-8,13,21H,5H2,(H2,20,22,
    23)/t13-/m0/s1;
    ILONVCLABRPQHC-ZDUSSCGKSA-N    		 N[S](=O)(=O)c1c(F)c(F)cc(F)c1N[CH]2C=CCc
    3ccccc23; N[S](=O)(=O)c1c(F)c(F)cc(F)c1N
    [C@H]2C=CCc3ccccc23; c1ccc2c(c1)CC=C[C@@
    H]2Nc3c(cc(c(c3S(=O)(=O)N)F)F)F; c1ccc2c
    (c1)CC=CC2Nc3c(cc(c(c3S(=O)(=O)N)F)F)F    		 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide;
    2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide
    31352
    OQU    		 2 C10 H6 Br F3 N4 S InChI=1S/C10H6BrF3N4S/c11
    -7-3-1-2-6(4-7)5-15-18-8(
    10(12,13)14)16-17-9(18)19
    /h1-5H,(H,17,19)/b15-5+;
    VLJIPDZUVTZJIE-PJQLUOCWSA-N    		 c1cc(cc(c1)Br)C=Nn2c(nnc2S)C(F)(F)F; FC(
    F)(F)c1nnc(S)n1/N=C/c2cccc(Br)c2; c1cc(c
    c(c1)Br)/C=N/n2c(nnc2S)C(F)(F)F; FC(F)(F
    )c1nnc(S)n1N=Cc2cccc(Br)c2    		 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol
    31353
    OQV
    CHEMBL4640533    		 2 C33 H45 N3 O8 InChI=1S/C33H45N3O8/c1-33
    (2,3)28(36-31(39)41-4)29(
    38)34-23(17-21-11-7-5-8-1
    2-21)19-26(37)25(18-22-13
    -9-6-10-14-22)35-32(40)44
    -27-20-43-30-24(27)15-16-
    42-30/h5-14,23-28,30,37H,
    15-20H2,1-4H3,(H,34,38)(H
    ,35,40)(H,36,39)/t23-,24-
    ,25-,26-,27-,28+,30+/m0/s
    1;
    LPGGYDYQUYLLOU-LGDXJAAOSA-N    		 CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[
    C@@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@
    @H]4[C@H]3CCO4)O)NC(=O)OC; COC(=O)N[CH](
    C(=O)N[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)
    O[CH]2CO[CH]3OCC[CH]23)Cc4ccccc4)C(C)(C)
    C; COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C
    @H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C
    @@H]23)Cc4ccccc4)C(C)(C)C; c1(ccccc1)CC(
    C(CC(Cc2ccccc2)NC(C(C(C)(C)C)NC(OC)=O)=O
    )O)NC(OC3C4C(OC3)OCC4)=O; CC(C)(C)C(C(=O
    )NC(Cc1ccccc1)CC(C(Cc2ccccc2)NC(=O)OC3CO
    C4C3CCO4)O)NC(=O)OC    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    31354
    OQW    		 1 C14 H19 F3 N2 O2 S InChI=1S/C14H19F3N2O2S/c1
    5-10-8-11(16)13(14(12(10)
    17)22(18,20)21)19-9-6-4-2
    -1-3-5-7-9/h8-9,19H,1-7H2
    ,(H2,18,20,21);
    CRSVSKVDNXYYQV-UHFFFAOYSA-N    		 N[S](=O)(=O)c1c(F)c(F)cc(F)c1NC2CCCCCCC2
    ; c1c(c(c(c(c1F)F)S(=O)(=O)N)NC2CCCCCCC2
    )F    		 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide;
    2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide
    31355
    OQX    		 1 C22 H19 Cl N4 O2 InChI=1S/C22H19ClN4O2/c1-
    29-19-11-9-18(10-12-19)26
    (14-16-5-4-6-17(23)13-16)
    22(28)15-27-21-8-3-2-7-20
    (21)24-25-27/h2-13H,14-15
    H2,1H3;
    RVLKWCGLMRBJIF-UHFFFAOYSA-N    		 COc1ccc(cc1)N(Cc2cccc(Cl)c2)C(=O)Cn3nnc4
    ccccc34; COc1ccc(cc1)N(Cc1cccc(Cl)c1)C(=
    O)Cn1nnc2ccccc21; COc1ccc(cc1)N(Cc2cccc(
    c2)Cl)C(=O)Cn3c4ccccc4nn3    		 2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)acetamide
    31356
    OQY
    CHEMBL4636562    		 2 C33 H45 N3 O8 InChI=1S/C33H45N3O8/c1-33
    (2,3)28(36-31(39)41-4)29(
    38)35-25(18-22-13-9-6-10-
    14-22)26(37)19-23(17-21-1
    1-7-5-8-12-21)34-32(40)44
    -27-20-43-30-24(27)15-16-
    42-30/h5-14,23-28,30,37H,
    15-20H2,1-4H3,(H,34,40)(H
    ,35,38)(H,36,39)/t23-,24-
    ,25-,26-,27-,28+,30+/m0/s
    1;
    GYVMEIFMNCTCMZ-LGDXJAAOSA-N    		 CC(C)(C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2cccc
    c2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC; COC(=
    O)N[CH](C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH
    ](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34
    )C(C)(C)C; CC(C)(C)[C@@H](C(=O)N[C@@H](C
    c1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[
    C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC; COC
    (=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]
    (O)C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@H]
    4OCC[C@@H]34)C(C)(C)C; c1(ccccc1)CC(C(CC
    (NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O
    )C(C(C)(C)C)NC(OC)=O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    31357
    OQZ    		 3 C19 H22 Cl N3 O2 S InChI=1S/C19H22ClN3O2S/c2
    0-17-9-8-14(26-17)12-22-1
    8(24)16-7-4-10-23(16)19(2
    5)15(21)11-13-5-2-1-3-6-1
    3/h1-3,5-6,8-9,15-16H,4,7
    ,10-12,21H2,(H,22,24)/t15
    -,16+/m1/s1;
    RAMUDOPEEQUPEA-CVEARBPZSA-N    		 c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NC
    c3ccc(s3)Cl)N; c1ccc(cc1)CC(C(=O)N2CCCC2
    C(=O)NCc3ccc(s3)Cl)N; N[CH](Cc1ccccc1)C(
    =O)N2CCC[CH]2C(=O)NCc3sc(Cl)cc3; N[C@H](
    Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCc3sc(Cl
    )cc3    		 (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
    31358
    OR0    		 1 C25 H20 Cl F2 N9 O InChI=1S/C25H20ClF2N9O/c2
    6-18-5-7-20(36-13-30-33-3
    4-36)23(24(18)27)15-3-6-1
    9(37(38)12-15)21(9-14-1-2
    -14)35-11-16(10-31-35)17-
    4-8-22(29)32-25(17)28/h3-
    8,10-14,21H,1-2,9H2,(H2,2
    9,32)/t21-/m1/s1;
    QBLULMRFSPWMPT-OAQYLSRUSA-N    		 c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-]
    )[C@@H](CC4CC4)n5cc(cn5)c6ccc(nc6F)N; Nc
    1ccc(c(F)n1)c2cnn(c2)[C@H](CC3CC3)c4ccc(
    c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6; Fc1c(
    Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC
    1CC1)n1cc(cn1)c1ccc(N)nc1F; c1cc([n+](cc
    1c2c(ccc(c2F)Cl)n3cnnn3)[O-])C(CC4CC4)n5
    cc(cn5)c6ccc(nc6F)N; Nc1ccc(c(F)n1)c2cnn
    (c2)[CH](CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c
    (Cl)ccc5n6cnnn6    		 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine
    31359
    OR1
    CHEMBL4642725
    ZINC000003930784    		 4 C35 H42 N2 O7 InChI=1S/C35H42N2O7/c1-23
    -10-9-11-24(2)33(23)42-22
    -32(39)37-29(19-26-14-7-4
    -8-15-26)30(38)20-27(18-2
    5-12-5-3-6-13-25)36-35(40
    )44-31-21-43-34-28(31)16-
    17-41-34/h3-15,27-31,34,3
    8H,16-22H2,1-2H3,(H,36,40
    )(H,37,39)/t27-,28-,29-,3
    0-,31-,34+/m0/s1;
    GRHZLQBPAJAHDM-SPRQWYLLSA-N    		 Cc1cccc(c1OCC(=O)NC(Cc2ccccc2)C(CC(Cc3cc
    ccc3)NC(=O)OC4COC5C4CCO5)O)C; Cc1cccc(C)
    c1OCC(=O)N[CH](Cc2ccccc2)[CH](O)C[CH](Cc
    3ccccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45; C(
    C(C(CC(NC(OC1C2C(OC1)OCC2)=O)Cc3ccccc3)O
    )NC(=O)COc4c(cccc4C)C)c5ccccc5; Cc1cccc(
    c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](
    Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CC
    O5)O)C; Cc1cccc(C)c1OCC(=O)N[C@@H](Cc2cc
    ccc2)[C@@H](O)C[C@H](Cc3ccccc3)NC(=O)O[C
    @H]4CO[C@H]5OCC[C@@H]45    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
    31360
    OR4    		 2 C17 H14 O4 InChI=1S/C17H14O4/c18-17(
    19)8-13-11-21-16-9-14(6-7
    -15(13)16)20-10-12-4-2-1-
    3-5-12/h1-7,9,11H,8,10H2,
    (H,18,19);
    VJEZHKLENQLLAZ-UHFFFAOYSA-N    		 c1ccc(cc1)COc2ccc3c(c2)occ3CC(=O)O; OC(=
    O)Cc1coc2cc(OCc3ccccc3)ccc12; C(O)(Cc1c3
    c(oc1)cc(OCc2ccccc2)cc3)=O    		 [6-(benzyloxy)-1-benzofuran-3-yl]acetic acid
    31361
    OR5    		 0 C5 H13 O8 P InChI=1/C5H13O8P/c6-1-3(7
    )5(9)4(8)2-13-14(10,11)12
    /h3-9H,1-2H2,(H2,10,11,12
    )/t3-,4+,5-/m0/s1/f/h10-1
    1H;
    VJDOAZKNBQCAGE-UYXRDBCVDP    		 C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
    )O; OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O
    )=O; C(C(C(C(COP(=O)(O)O)O)O)O)O; OC[CH]
    (O)[CH](O)[CH](O)CO[P](O)(O)=O; O=P(O)(O
    )OCC(O)C(O)C(O)CO    		 OPEN FORM OF RIBOFURANOSE-5'-PHOSPHATE
    31362
    OR6
    CHEMBL3359155
    ZINC000034202661    		 1 C9 H14 O4 InChI=1S/C9H14O4/c1-3-4-5
    -7(9(12)13)6(2)8(10)11/h7
    H,2-5H2,1H3,(H,10,11)(H,1
    2,13)/t7-/m0/s1;
    ULDVOPUXMRCBDH-ZETCQYMHSA-N    		 CCCCC(C(=C)C(=O)O)C(=O)O; CCCC[C@@H](C(=
    C)C(=O)O)C(=O)O; CCCC[CH](C(O)=O)C(=C)C(
    O)=O; CCCC[C@H](C(O)=O)C(=C)C(O)=O    		 (2~{S})-2-butyl-3-methylidene-butanedioic acid
    31363
    OR7
    CHEMBL4458365    		 1 C12 H16 Cl2 N2 O4 S InChI=1S/C12H16Cl2N2O4S/c
    1-16(5-6-20-2)21(18,19)11
    -7-9(3-4-10(11)14)15-12(1
    7)8-13/h3-4,7H,5-6,8H2,1-
    2H3,(H,15,17);
    ADUIOJAMEFYIGZ-UHFFFAOYSA-N    		 COCCN(C)[S](=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
    ; CN(CCOC)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl
    ; C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)N(C)CCOC)=
    O)Cl    		 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide
    31364
    OR8
    ZINC000098209273    		 4 C17 H19 Cl N4 O3 S InChI=1S/C17H19ClN4O3S/c1
    -10-15(12(3)25-21-10)14-7
    -5-13(6-8-14)9-19-26(23,2
    4)16-11(2)20-22(4)17(16)1
    8/h5-8,19H,9H2,1-4H3;
    XNTNHEPWXKNVBH-UHFFFAOYSA-N    		 Clc1n(nc(c1S(=O)(=O)NCc3ccc(c2c(onc2C)C)
    cc3)C)C; Cn1nc(C)c(c1Cl)[S](=O)(=O)NCc2c
    cc(cc2)c3c(C)onc3C; Cc1c(c(on1)C)c2ccc(c
    c2)CNS(=O)(=O)c3c(nn(c3Cl)C)C    		 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE
    31365
    OR9
    CHEMBL53
    DB00714
    ZINC000000009073    		 1 C17 H17 N O2 InChI=1S/C17H17NO2/c1-18-
    8-7-10-3-2-4-12-15(10)13(
    18)9-11-5-6-14(19)17(20)1
    6(11)12/h2-6,13,19-20H,7-
    9H2,1H3/t13-/m1/s1;
    VMWNQDUVQKEIOC-CYBMUJFWSA-N    		 CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O; C
    N1CCc2cccc3c2[CH]1Cc4ccc(O)c(O)c34; CN1C
    Cc2cccc-3c2C1Cc4c3c(c(cc4)O)O; CN1CCc2cc
    cc3c2[C@H]1Cc4ccc(O)c(O)c34; C12Cc4ccc(c
    (c4c3c1c(CCN2C)ccc3)O)O    		 (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
    31366
    ORA
    CHEMBL1615565
    ZINC000004261935    		 0 C16 H12 N2 O7 S2 InChI=1S/C16H12N2O7S2/c19
    -13-7-6-10-8-12(26(20,21)
    22)9-14(27(23,24)25)15(10
    )16(13)18-17-11-4-2-1-3-5
    -11/h1-9,19H,(H,20,21,22)
    (H,23,24,25)/b18-17+;
    MPVDXIMFBOLMNW-ISLYRVAYSA-N    		 Oc1ccc2cc(cc(c2c1N=Nc3ccccc3)[S](O)(=O)=
    O)[S](O)(=O)=O; c1ccc(cc1)/N=N/c2c(ccc3c
    2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O; c1ccc(
    cc1)N=Nc2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O
    )(=O)O)O; O=S(=O)(O)c3c2c(ccc(O)c2/N=N/c
    1ccccc1)cc(c3)S(=O)(=O)O    		 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid;
    Orange G
    31367
    ORB
    ZINC000098209274    		 2 C18 H17 Cl F N3 O3 S InChI=1S/C18H17ClFN3O3S/c
    1-10(23-27(24,25)17-11(2)
    22-26-12(17)3)13-4-6-14(7
    -5-13)16-8-15(20)9-21-18(
    16)19/h4-10,23H,1-3H3/t10
    -/m1/s1;
    UOZIRTCHSJAAOG-SNVBAGLBSA-N    		 Cc1c(c(on1)C)S(=O)(=O)NC(C)c2ccc(cc2)c3c
    c(cnc3Cl)F; Cc1c(c(on1)C)S(=O)(=O)N[C@H]
    (C)c2ccc(cc2)c3cc(cnc3Cl)F; C[CH](N[S](=
    O)(=O)c1c(C)onc1C)c2ccc(cc2)c3cc(F)cnc3C
    l; O=S(=O)(c1c(onc1C)C)NC(c3ccc(c2cc(F)c
    nc2Cl)cc3)C; C[C@@H](N[S](=O)(=O)c1c(C)o
    nc1C)c2ccc(cc2)c3cc(F)cnc3Cl    		 N-{(1R)-1-[4-(2-CHLORO-5-FLUOROPYRIDIN-3-YL)PHENYL]ETHYL}-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE
    31368
    ORC
    ZINC000098209275    		 1 C18 H21 N3 O4 S InChI=1S/C18H21N3O4S/c1-1
    0(21-26(22,23)18-12(3)20-
    25-14(18)5)15-6-8-16(9-7-
    15)17-11(2)19-24-13(17)4/
    h6-10,21H,1-5H3/t10-/m1/s
    1;
    QXPXDFCURRGQGI-SNVBAGLBSA-N    		 C[C@@H](N[S](=O)(=O)c1c(C)onc1C)c2ccc(cc
    2)c3c(C)onc3C; C[CH](N[S](=O)(=O)c1c(C)o
    nc1C)c2ccc(cc2)c3c(C)onc3C; Cc1c(c(on1)C
    )c2ccc(cc2)[C@@H](C)NS(=O)(=O)c3c(noc3C)
    C; Cc1c(c(on1)C)c2ccc(cc2)C(C)NS(=O)(=O)
    c3c(noc3C)C; O=S(=O)(c1c(onc1C)C)NC(c3cc
    c(c2c(onc2C)C)cc3)C    		 (R)-N-[1-[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]ETHYL]-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE
    31369
    ORD
    CHEMBL103686
    ZINC000001532678    		 7 C5 H12 N2 O2 InChI=1S/C5H12N2O2/c6-3-1
    -2-4(7)5(8)9/h4H,1-3,6-7H
    2,(H,8,9)/t4-/m1/s1;
    AHLPHDHHMVZTML-SCSAIBSYSA-N    		 C(C[C@H](C(=O)O)N)CN; NCCC[CH](N)C(O)=O;
    O=C(O)C(N)CCCN; NCCC[C@@H](N)C(O)=O; C(
    CC(C(=O)O)N)CN    		 D-ORNITHINE
    31370
    ORE
    DB04750
    ZINC000012504493    		 3 C21 H10 F2 O7 InChI=1S/C21H10F2O7/c22-1
    3-4-11-17(6-15(13)24)30-1
    8-7-16(25)14(23)5-12(18)1
    9(11)9-2-1-8(20(26)27)3-1
    0(9)21(28)29/h1-7,24H,(H,
    26,27)(H,28,29);
    BRJCLSQFZSHLRL-UHFFFAOYSA-N    		 c1cc(c(cc1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=
    C3Oc4c2cc(c(c4)O)F)F; O=C(O)c4ccc(C=1c3c
    (OC=2C=1C=C(F)C(=O)C=2)cc(O)c(F)c3)c(C(=
    O)O)c4; OC(=O)c1ccc(c(c1)C(O)=O)C2=C3C=C
    (F)C(=O)C=C3Oc4cc(O)c(F)cc24    		 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)ISOPHTHALIC ACID;
    OREGON GREEN 488 CARBOXYLATE
    31371
    ORF    		 1 C25 H18 Cl2 F2 N8 O InChI=1S/C25H18Cl2F2N8O/c
    26-17-4-6-21(36-13-31-33-
    34-36)24(25(17)29)15-3-5-
    20(37(38)12-15)22(7-14-1-
    2-14)35-11-16(8-32-35)23-
    18(27)9-30-10-19(23)28/h3
    -6,8-14,22H,1-2,7H2/t22-/
    m1/s1;
    HHZXBCQTDGQCBH-JOCHJYFZSA-N    		 c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-]
    )[C@@H](CC4CC4)n5cc(cn5)c6c(cncc6Cl)F; c
    1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-])
    C(CC4CC4)n5cc(cn5)c6c(cncc6Cl)F; [O-][n+
    ]1cc(ccc1[C@@H](CC2CC2)n3cc(cn3)c4c(F)cn
    cc4Cl)c5c(F)c(Cl)ccc5n6cnnn6; [O-][n+]1c
    c(ccc1[CH](CC2CC2)n3cc(cn3)c4c(F)cncc4Cl
    )c5c(F)c(Cl)ccc5n6cnnn6; Fc1c(Cl)ccc(n2c
    nnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(
    cn1)c1c(F)cncc1Cl    		 3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine
    31372
    ORG
    CHEMBL1084679
    ZINC000006745699    		 1 C14 H21 N7 InChI=1S/C14H21N7/c15-10-
    12-18-13(17-11-4-2-1-3-5-
    11)20-14(19-12)21-8-6-16-
    7-9-21/h11,16H,1-9H2,(H,1
    7,18,19,20);
    ZBLLHXCRPWKVCY-UHFFFAOYSA-N    		 C1CCC(CC1)Nc2nc(nc(n2)N3CCNCC3)C#N; N#Cc
    1nc(NC2CCCCC2)nc(n1)N3CCNCC3    		 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
    31373
    ORH
    CHEMBL1084114
    ZINC000049046145    		 2 C19 H20 F3 N5 O2 InChI=1S/C19H20F3N5O2/c20
    -19(21,22)14-6-4-7-15(12-
    14)27-18(29)26(17(28)16(1
    3-23)24-27)11-5-10-25-8-2
    -1-3-9-25/h4,6-7,12H,1-3,
    5,8-11H2;
    HKAVWQNLXOMWLR-UHFFFAOYSA-N    		 FC(F)(F)c1cccc(c1)N2N=C(C#N)C(=O)N(CCCN3
    CCCCC3)C2=O; c1cc(cc(c1)N2C(=O)N(C(=O)C(
    =N2)C#N)CCCN3CCCCC3)C(F)(F)F    		 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
    31374
    ORI
    ZINC000004416663    		 8 C16 H12 N2 O4 S InChI=1S/C16H12N2O4S/c19-
    16-10-9-15(13-3-1-2-4-14(
    13)16)18-17-11-5-7-12(8-6
    -11)23(20,21)22/h1-10,19H
    ,(H,20,21,22)/b18-17+;
    PURJGKXXWJKIQR-ISLYRVAYSA-N    		 Oc1ccc(N=Nc2ccc(cc2)[S](O)(=O)=O)c3ccccc
    13; c1ccc2c(c1)c(ccc2O)N=Nc3ccc(cc3)S(=O
    )(=O)O; c1ccc2c(c1)c(ccc2O)/N=N/c3ccc(cc
    3)S(=O)(=O)O; O=S(=O)(O)c3ccc(/N=N/c2c1c
    cccc1c(O)cc2)cc3    		 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid;
    Orange I
    31375
    ORJ    		 16 C16 H13 F N2 O3 S InChI=1S/C16H13FN2O3S/c1-
    18-15(21)6-9-2-4-11(8-13(
    9)20)22-16-19-12-5-3-10(1
    7)7-14(12)23-16/h2-5,7-8,
    20H,6H2,1H3,(H,18,21);
    VNVALNOVDDOJNH-UHFFFAOYSA-N    		 CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F; n2
    c(Oc1cc(c(CC(NC)=O)cc1)O)sc3c2ccc(c3)F;
    CNC(=O)Cc1ccc(Oc2sc3cc(F)ccc3n2)cc1O    		 2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide
    31376
    ORK
    ZINC000029337388    		 1 C25 H34 N3 O7 P InChI=1S/C25H34N3O7P/c1-1
    7(2)14-21(23(29)26-18(3)2
    4(30)31)28-36(33,34)22(15
    -19-10-6-4-7-11-19)27-25(
    32)35-16-20-12-8-5-9-13-2
    0/h4-13,17-18,21-22H,14-1
    6H2,1-3H3,(H,26,29)(H,27,
    32)(H,30,31)(H2,28,33,34)
    /t18-,21-,22-/m0/s1;
    PREBTZMCCRSQJI-NYVOZVTQSA-N    		 C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)
    ([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O; CC
    (C)CC(C(=O)NC(C)C(=O)O)NP(=O)(C(Cc1ccccc
    1)NC(=O)OCc2ccccc2)O; CC(C)C[CH](N[P](O)
    (=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O
    )N[CH](C)C(O)=O; CC(C)C[C@H](N[P](O)(=O)
    [C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)N
    [C@@H](C)C(O)=O    		 (2~{S})-2-[[(2~{S})-4-methyl-2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid
    31377
    ORL    		 2 C17 H11 F3 N4 O2 S InChI=1S/C17H11F3N4O2S/c1
    8-17(19,20)13-6-4-11(5-7-
    13)14-22-23-16(27)24(14)2
    1-9-10-2-1-3-12(8-10)15(2
    5)26/h1-9H,(H,23,27)(H,25
    ,26)/b21-9+;
    PJNXGQNXUOFJCG-ZVBGSRNCSA-N    		 OC(=O)c1cccc(/C=N/n2c(S)nnc2c3ccc(cc3)C(
    F)(F)F)c1; c1cc(cc(c1)C(=O)O)C=Nn2c(nnc2
    S)c3ccc(cc3)C(F)(F)F; OC(=O)c1cccc(C=Nn2
    c(S)nnc2c3ccc(cc3)C(F)(F)F)c1; c1cc(cc(c
    1)C(=O)O)/C=N/n2c(nnc2S)c3ccc(cc3)C(F)(F
    )F    		 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
    31378
    ORM
    CHEMBL4454026    		 1 C11 H14 Cl2 N2 O3 S InChI=1S/C11H14Cl2N2O3S/c
    1-7(2)15-19(17,18)10-5-8(
    3-4-9(10)13)14-11(16)6-12
    /h3-5,7,15H,6H2,1-2H3,(H,
    14,16);
    KNMHYCCVNWINHU-UHFFFAOYSA-N    		 CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl; CC
    (C)N[S](=O)(=O)c1cc(NC(=O)CCl)ccc1Cl; C(
    C(Nc1ccc(Cl)c(c1)S(=O)(=O)NC(C)C)=O)Cl    		 2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide
    31379
    ORN
    CHEMBL446143
    DB00129
    ZINC000001532530    		 159 C5 H12 N2 O2 InChI=1S/C5H12N2O2/c6-3-1
    -2-4(7)5(8)9/h4H,1-3,6-7H
    2,(H,8,9)/t4-/m0/s1;
    AHLPHDHHMVZTML-BYPYZUCNSA-N    		 C(C[C@@H](C(=O)O)N)CN; NCCC[CH](N)C(O)=O
    ; NCCC[C@H](N)C(O)=O; O=C(O)C(N)CCCN; C(
    CC(C(=O)O)N)CN    		 L-ornithine
    31380
    ORO
    CHEMBL1235017
    DB02262
    ZINC000001408068    		 4 C5 H4 N2 O4 InChI=1S/C5H4N2O4/c8-3-1-
    2(4(9)10)6-5(11)7-3/h1H,(
    H,9,10)(H2,6,7,8,11);
    PXQPEWDEAKTCGB-UHFFFAOYSA-N    		 OC(=O)C1=CC(=O)NC(=O)N1; C1=C(NC(=O)NC1=
    O)C(=O)O; O=C(O)C1=CC(=O)NC(=O)N1    		 OROTIC ACID
    31381
    ORP
    ZINC000003869833    		 0 C5 H11 O7 P InChI=1S/C5H11O7P/c6-3-1-
    5(7)12-4(3)2-11-13(8,9)10
    /h3-7H,1-2H2,(H2,8,9,10)/
    t3-,4+,5-/m0/s1;
    KKZFLSZAWCYPOC-LMVFSUKVSA-N    		 O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1; O=P
    (OCC1OC(O)CC1O)(O)O; C1C(C(OC1O)COP(=O)(
    O)O)O; C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(
    O)O)O; O[C@@H]1C[C@H](O)[C@@H](CO[P](O)(
    O)=O)O1    		 2-DEOXY-5-PHOSPHONO-RIBOSE
    31382
    ORQ
    ZINC000003650287    		 0 C7 H14 N2 O3 InChI=1S/C7H14N2O3/c1-5(1
    0)9-4-2-3-6(8)7(11)12/h6H
    ,2-4,8H2,1H3,(H,9,10)(H,1
    1,12)/t6-/m0/s1;
    SRXKAYJJGAAOBP-LURJTMIESA-N    		 CC(=O)NCCC[CH](N)C(O)=O; CC(=O)NCCC[C@H]
    (N)C(O)=O; CC(=O)NCCCC(C(=O)O)N; CC(=O)N
    CCC[C@@H](C(=O)O)N; O=C(NCCCC(N)C(=O)O)C    		 N~5~-ACETYL-L-ORNITHINE
    31383
    ORR    		 1 C16 H16 Cl N3 O InChI=1S/C16H16ClN3O/c17-
    12-4-1-3-11(7-12)8-16(21)
    20-6-2-5-13-14(18)9-19-10
    -15(13)20/h1,3-4,7,9-10H,
    2,5-6,8,18H2;
    KFDIFJWRZNKQEO-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)CC(=O)N2CCCc3c2cncc3N; Nc1
    cncc2N(CCCc12)C(=O)Cc3cccc(Cl)c3; Clc1cc
    cc(c1)CC(=O)N1CCCc2c1cncc2N    		 1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one
    31384
    ORS    		 1 C10 H15 Cl2 Rh InChI=1S/C10H15.2ClH.Rh/c
    1-6-7(2)9(4)10(5)8(6)3;;;
    /h1-5H3;2*1H;/q;;;+2/p-2;
    QVLTVILSYOWFRM-UHFFFAOYSA-L    		 C12(C)C3(C)C4(C)C5(C)C1(C)[Rh]2345(Cl)Cl
    ; CC1C(C)C(C)C(C)C1C.Cl[Rh]Cl; CC12C3([R
    h]145(C2(C4(C53C)C)C)(Cl)Cl)C    		 dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium
    31385
    ORT    		 0 C5 H11 N3 O3 InChI=1S/C5H11N3O3/c6-3(5
    (10)11)1-2-4(9)8-7/h3H,1-
    2,6-7H2,(H,8,9)(H,10,11)/
    t3-/m0/s1;
    MOFBPUBBBREDCE-VKHMYHEASA-N    		 C(CC(=O)NN)C(C(=O)O)N; C(CC(=O)NN)[C@@H]
    (C(=O)O)N; NNC(=O)CC[CH](N)C(O)=O; NNC(=
    O)CC[C@H](N)C(O)=O    		 (4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide
    31386
    ORU    		 1 C23 H18 Cl F N8 O S InChI=1S/C23H18ClFN8OS/c2
    4-17-4-6-19(32-12-27-29-3
    0-32)22(23(17)25)15-3-5-1
    8(33(34)11-15)20(7-14-1-2
    -14)31-10-16(8-28-31)21-9
    -26-13-35-21/h3-6,8-14,20
    H,1-2,7H2/t20-/m1/s1;
    UDBRBOWRYPFBIN-HXUWFJFHSA-N    		 c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-]
    )C(CC4CC4)n5cc(cn5)c6cncs6; Fc1c(Cl)ccc(
    n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1
    ncc(c1)c1cncs1; c1cc([n+](cc1c2c(ccc(c2F
    )Cl)n3cnnn3)[O-])[C@@H](CC4CC4)n5cc(cn5)
    c6cncs6; [O-][n+]1cc(ccc1[C@@H](CC2CC2)n
    3cc(cn3)c4scnc4)c5c(F)c(Cl)ccc5n6cnnn6;
    [O-][n+]1cc(ccc1[CH](CC2CC2)n3cc(cn3)c4s
    cnc4)c5c(F)c(Cl)ccc5n6cnnn6    		 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-1,3-thiazole
    31387
    ORV
    CHEMBL4645542    		 2 C30 H39 N3 O8 InChI=1S/C30H39N3O8/c1-19
    (31-29(36)38-2)27(35)33-2
    4(16-21-11-7-4-8-12-21)25
    (34)17-22(15-20-9-5-3-6-1
    0-20)32-30(37)41-26-18-40
    -28-23(26)13-14-39-28/h3-
    12,19,22-26,28,34H,13-18H
    2,1-2H3,(H,31,36)(H,32,37
    )(H,33,35)/t19-,22-,23-,2
    4-,25-,26-,28+/m0/s1;
    WENVZQWSDCKTAH-JKFUCYDASA-N    		 COC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)
    [C@@H](O)C[C@H](Cc2ccccc2)NC(=O)O[C@H]3C
    O[C@H]4OCC[C@@H]34; CC(C(=O)NC(Cc1ccccc1
    )C(CC(Cc2ccccc2)NC(=O)OC3COC4C3CCO4)O)NC
    (=O)OC; C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[
    C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@
    @H]4[C@H]3CCO4)O)NC(=O)OC; c1(ccccc1)CC(
    C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)N
    C(=O)C(C)NC(OC)=O; COC(=O)N[CH](C)C(=O)N
    [CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)NC
    (=O)O[CH]3CO[CH]4OCC[CH]34    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    31388
    ORW    		 1 C17 H27 N5 O2 InChI=1S/C17H27N5O2/c1-13
    (2)10-15(16(23)22(4)21(3)
    12-18)20-17(24)19-11-14-8
    -6-5-7-9-14/h5-9,12-13,15
    ,18H,10-11H2,1-4H3,(H2,19
    ,20,24)/b18-12-/t15-/m0/s
    1;
    DZXGVGCCLHWTMQ-BRYHAGSVSA-N    		 [H]/N=C\N(C)N(C)C(=O)[C@H](CC(C)C)NC(=O)
    NCc1ccccc1; CC(C)C[C@H](NC(=O)NCc1ccccc1
    )C(=O)N(C)N(C)C=N; CC(C)CC(C(=O)N(C)N(C)
    C=N)NC(=O)NCc1ccccc1; CC(C)C[CH](NC(=O)N
    Cc1ccccc1)C(=O)N(C)N(C)C=N    		 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea
    31389
    ORX
    ZINC000002047626    		 9 C13 H22 N3 O7 P InChI=1S/C13H22N3O7P/c1-8
    -12(17)10(6-16-11(13(18)1
    9)3-2-4-14)9(5-15-8)7-23-
    24(20,21)22/h5,11,16-17H,
    2-4,6-7,14H2,1H3,(H,18,19
    )(H2,20,21,22)/t11-/m1/s1;
    OIRLUPUXIUAWOH-LLVKDONJSA-N    		 O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCN
    ; Cc1ncc(CO[P](O)(O)=O)c(CN[C@H](CCCN)C(
    O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(CN[CH](
    CCCN)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)
    O)CN[C@H](CCCN)C(=O)O)O; Cc1c(c(c(cn1)CO
    P(=O)(O)O)CNC(CCCN)C(=O)O)O    		 N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE
    31390
    ORZ    		 2 C23 H27 N2 O4 InChI=1S/C23H27N2O4/c1-4-
    16-13-25-11-9-18-17-7-5-6
    -8-20(17)24-21(18)23(22(2
    7)28-3,14-29-15(2)26)19(1
    6)10-12-25/h4-8,13,19,24H
    ,9-12,14H2,1-3H3/q+1/b16-
    4-/t19-,23-/m0/s1;
    YCGQEMDBJBQBSW-ISNKGDJGSA-N    		 CC=C1C=[N+]2CCc3c4ccccc4[nH]c3C(C1CC2)(C
    OC(=O)C)C(=O)OC; COC(=O)[C@@]1(COC(C)=O)
    [C@H]\2CC[N@+](=CC\2=C/C)CCc3c1[nH]c4ccc
    cc34; COC(=O)[C]1(COC(C)=O)[CH]2CC[N+](=
    CC2=CC)CCc3c1[nH]c4ccccc34; C/C=C\1/C=[N
    +]2CCc3c4ccccc4[nH]c3[C@@]([C@H]1CC2)(CO
    C(=O)C)C(=O)OC    		 precondylocarpine acetate;
    methyl (1~{S},2~{S},16~{E})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5(10),6,8,14-pentaene-2-carboxylate
    31391
    OS    		 12 Os InChI=1S/Os/q+3;
    XQBKHDFIPARBOX-UHFFFAOYSA-N    		 [Os+3] OSMIUM ION
    31392
    OS0    		 2 C4 H6 N2 O2 InChI=1S/C4H6N2O2/c7-3-1-
    2-5-4(8)6-3/h1-3,7H,(H2,5
    ,6,8);
    DEAAWXYGBWCVJW-UHFFFAOYSA-N    		 O[CH]1NC(=O)NC=C1; C1=CNC(=O)NC1O; O[C@H
    ]1NC(=O)NC=C1    		 4-oxidanyl-3,4-dihydro-1H-pyrimidin-2-one
    31393
    OS1    		 2 C24 H16 Cl N6 O3 Ru InChI=1S/C17H10N4O2.C6H7N
    2.CO.ClH.Ru/c18-7-5-9-12-
    13(17(23)21-16(12)22)11-8
    -3-1-2-4-10(8)20-15(11)14
    (9)19-6-7;7-5-6-3-1-2-4-8
    -6;1-2;;/h1-6H,(H4,18,19,
    20,21,22,23);1-4,7H,5H2;;
    1H;/q;-1;;;+3/p-2;
    QQATVYHLKPGOMG-UHFFFAOYSA-L    		 Nc1cn2|[Ru]|3(Cl)(|[C-]#[O+])(NCc4ccccn|
    34)n5c6ccccc6c7c5c2c(c1)c8C(=O)NC(=O)c78
    ; c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7([N]6=CC
    (=C5)N)(NCC8=[N]7C=CC=C8)(C#O)Cl)C(=O)NC
    4=O    		 Ruthenium octasporine
    31394
    OS2
    CHEMBL4445386    		 3 C15 H19 N5 O S InChI=1S/C15H19N5OS/c1-2-
    3-22-8-11-6-20(7-12(11)21
    )5-10-4-17-14-13(10)18-9-
    19-15(14)16/h1,4,9,11-12,
    17,21H,3,5-8H2,(H2,16,18,
    19)/t11-,12+/m1/s1;
    MQJBNGGMAUMWEV-NEPJUHHUSA-N    		 C#CCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncn
    c3N; Nc1ncnc2c(CN3C[CH](O)[CH](CSCC#C)C3
    )c[nH]c12; C#CCSCC1CN(CC1O)Cc2c[nH]c3c2n
    cnc3N; OC3CN(Cc2c1ncnc(c1nc2)N)CC3CSCC#C
    ; Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSCC#C)C3
    )c[nH]c12    		 (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol
    31395
    OS3
    CHEMBL4465346    		 3 C17 H23 N5 O S InChI=1S/C17H23N5OS/c1-2-
    3-4-5-24-10-13-8-22(9-14(
    13)23)7-12-6-19-16-15(12)
    20-11-21-17(16)18/h1,6,11
    ,13-14,19,23H,3-5,7-10H2,
    (H2,18,20,21)/t13-,14+/m1
    /s1;
    QRFSYYUFBJRRLL-KGLIPLIRSA-N    		 Nc1ncnc2c(CN3C[CH](O)[CH](CSCCCC#C)C3)c[
    nH]c12; Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSC
    CCC#C)C3)c[nH]c12; Nc1c2ncc(c2ncn1)CN3CC
    (O)C(C3)CSCCCC#C; C#CCCCSCC1CN(CC1O)Cc2c
    [nH]c3c2ncnc3N; C#CCCCSC[C@H]1CN(C[C@@H]
    1O)Cc2c[nH]c3c2ncnc3N    		 (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol
    31396
    OS4    		 1 Os InChI=1S/Os/q+4;
    OQURWADGXKZUIH-UHFFFAOYSA-N    		 [Os+4] OSMIUM 4+ ION
    31397
    OS5
    CHEMBL4439603    		 5 C24 H30 N8 O S InChI=1S/C24H30N8OS/c25-2
    4-23-22(27-16-28-24)18(9-
    26-23)11-31-12-19(21(33)1
    4-31)15-34-8-4-7-20-13-32
    (30-29-20)10-17-5-2-1-3-6
    -17/h1-3,5-6,9,13,16,19,2
    1,26,33H,4,7-8,10-12,14-1
    5H2,(H2,25,27,28)/t19-,21
    +/m1/s1;
    BROXRHKDLDDNBO-CTNGQTDRSA-N    		 c1ccc(cc1)Cn2cc(nn2)CCCSCC3CN(CC3O)Cc4c[
    nH]c5c4ncnc5N; c1ccc(cc1)Cn2cc(nn2)CCCSC
    [C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N; O
    C3CN(Cc1cnc2c1ncnc2N)CC3CSCCCc4nnn(c4)Cc
    5ccccc5; Nc1ncnc2c(CN3C[C@H](O)[C@@H](CS
    CCCc4cn(Cc5ccccc5)nn4)C3)c[nH]c12; Nc1nc
    nc2c(CN3C[CH](O)[CH](CSCCCc4cn(Cc5ccccc5
    )nn4)C3)c[nH]c12    		 (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol
    31398
    OS6
    CHEMBL4450105    		 9 C21 H32 N8 O S InChI=1S/C21H32N8OS/c1-2-
    3-6-29-11-17(26-27-29)5-4
    -7-31-13-16-10-28(12-18(1
    6)30)9-15-8-23-20-19(15)2
    4-14-25-21(20)22/h8,11,14
    ,16,18,23,30H,2-7,9-10,12
    -13H2,1H3,(H2,22,24,25)/t
    16-,18+/m1/s1;
    RDPUFRZNTDIFPO-AEFFLSMTSA-N    		 CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3
    c[nH]c4c3ncnc4N; CCCCn1cc(CCCSC[CH]2CN(C
    [CH]2O)Cc3c[nH]c4c(N)ncnc34)nn1; CCCCn1c
    c(CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c(N)
    ncnc34)nn1; CCCCn1cc(nn1)CCCSCC2CN(CC2O)
    Cc3c[nH]c4c3ncnc4N; OC1C(CN(C1)Cc3c2ncnc
    (N)c2nc3)CSCCCc4cn(nn4)CCCC    		 (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol
    31399
    OS7
    CHEMBL4535045    		 8 C23 H22 N4 O InChI=1S/C23H22N4O/c1-15-
    10-23(25)27-21-12-17(5-7-
    20(15)21)16-6-8-22(18(11-
    16)13-24)28-14-19-4-2-3-9
    -26-19/h2-12H,13-14,24H2,
    1H3,(H2,25,27);
    IYSGQZIVZRDDAE-UHFFFAOYSA-N    		 c41c(c(cc(n1)N)C)ccc(c2cc(c(cc2)OCc3cccc
    n3)CN)c4; Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4
    ccccn4)c(CN)c3; Cc1cc(nc2c1ccc(c2)c3ccc(
    c(c3)CN)OCc4ccccn4)N    		 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine
    31400
    OS8
    CHEMBL5076790    		 2 C24 H30 N4 O3 InChI=1S/C24H30N4O3/c1-16
    -14-22(29)27-20-8-3-7-19(
    23(20)26-16)24(30)25-11-5
    -13-28-12-4-6-17-9-10-18(
    31-2)15-21(17)28/h3,7-10,
    15-16,26H,4-6,11-14H2,1-2
    H3,(H,25,30)(H,27,29)/t16
    -/m1/s1;
    XZQSPHYHBYGJPB-MRXNPFEDSA-N    		 C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3CC
    Cc4c3cc(cc4)OC; COc1ccc2CCCN(CCCNC(=O)c3
    cccc4NC(=O)C[CH](C)Nc34)c2c1; COc1ccc2CC
    CN(CCCNC(=O)c3cccc4NC(=O)C[C@@H](C)Nc34)
    c2c1; CC1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3C
    CCc4c3cc(cc4)OC    		 (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-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)(download the PDF file).
  • 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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