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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    39001 U62
    CHEMBL1499110
    ZINC000002650671    		 1 C12 H8 O3 S InChI=1S/C12H8O3S/c13-12(
    14)10-5-7-6-15-9-4-2-1-3-
    8(9)11(7)16-10/h1-5H,6H2,
    (H,13,14);
    ZMEWPWRPNHFDRC-UHFFFAOYSA-N    		 c1ccc2c(c1)-c3c(cc(s3)C(=O)O)CO2; OC(=O)
    c1sc2c(COc3ccccc23)c1    		 4~{H}-thieno[3,2-c]chromene-2-carboxylic acid
    39002 U63 0 C12 H21 F O10 InChI=1S/C12H21FO10/c13-5
    -7(17)10(4(2-15)21-11(5)2
    0)23-12-9(19)8(18)6(16)3(
    1-14)22-12/h3-12,14-20H,1
    -2H2/t3-,4-,5-,6-,7-,8+,9
    -,10-,11-,12+/m1/s1;
    CHZBROHNUFSPPZ-DZGNIOAVSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[
    C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)F)O)CO
    )O)O)O)O; OC[CH]1O[CH](O[CH]2[CH](O)[CH]
    (F)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O;
    OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](F
    )[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@
    @H]1O; FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(O
    C2O)CO; C(C1C(C(C(C(O1)OC2C(OC(C(C2O)F)O
    )CO)O)O)O)O    		 2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose
    39003 U64
    CHEMBL4760458    		 1 C25 H23 F2 N5 O2 S InChI=1S/C25H23F2N5O2S/c1
    -24(21-12-25(21,35-23(29)
    31-24)22(33)32-6-8-34-9-7
    -32)17-10-15(2-4-18(17)26
    )11-19(27)20-5-3-16(13-28
    )14-30-20/h2-5,10-11,14,2
    1H,6-9,12H2,1H3,(H2,29,31
    )/b19-11-/t21-,24+,25-/m0
    /s1;
    VZHFJCNPAIRJSA-MYMUPAQMSA-N    		 c4(cc(C1(C)C2C(SC(=N1)N)(C2)C(=O)N3CCOCC
    3)c(F)cc4)[C@H]=C(F)c5ccc(cn5)C#N; C[C@@
    ]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N3CCOCC3)
    c4cc(ccc4F)\C=C(/F)c5ccc(cn5)C#N; CC1(C2
    CC2(SC(=N1)N)C(=O)N3CCOCC3)c4cc(ccc4F)C=
    C(c5ccc(cn5)C#N)F; C[C]1(N=C(N)S[C]2(C[C
    H]12)C(=O)N3CCOCC3)c4cc(ccc4F)C=C(F)c5cc
    c(cn5)C#N; C[C@]1([C@@H]2C[C@@]2(SC(=N1)
    N)C(=O)N3CCOCC3)c4cc(ccc4F)/C=C(/c5ccc(c
    n5)C#N)\F    		 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile
    39004 U65
    CHEMBL1352800
    ZINC000003645794    		 1 C13 H10 O3 S InChI=1S/C13H10O3S/c1-15-
    13(14)11-6-8-7-16-10-5-3-
    2-4-9(10)12(8)17-11/h2-6H
    ,7H2,1H3;
    SSWWLCIIZQNEAE-UHFFFAOYSA-N    		 COC(=O)c1sc2c(COc3ccccc23)c1; COC(=O)c1c
    c2c(s1)-c3ccccc3OC2    		 methyl 3~{a},4-dihydro-3~{H}-thieno[3,2-c]chromene-2-carboxylate
    39005 U66
    DB08676    		 1 C27 H27 N5 O2 InChI=1S/C27H27N5O2/c28-1
    4-20-5-4-18-12-26(20)34-2
    2-7-6-19-2-1-3-25(23(19)1
    3-22)32-11-9-24(27(32)33)
    30-10-8-21-15-29-17-31(21
    )16-18/h1-4,6-7,13,15,17,
    20,24,26,30H,5,8-12,16H2/
    t20-,24+,26?/m1/s1;
    GBEQWWUQNVMGMR-LLHWJCAFSA-N    		 O=C1[CH]2CCN1c3cccc4ccc(O[CH]5CC(=CC[CH]
    5C#N)Cn6cncc6CCN2)cc34; c1cc2ccc3cc2c(c1
    )N4CCC(C4=O)NCCc5cncn5CC6=CCC(C(C6)O3)C#
    N; O=C1[C@@H]2CCN1c3cccc4ccc(O[C@@H]5CC(
    =CC[C@@H]5C#N)Cn6cncc6CCN2)cc34; O=C3N4c
    6c5cc(OC1CC(=CCC1C#N)Cn2cncc2CCNC3CC4)cc
    c5ccc6; c1cc2ccc3cc2c(c1)N4CC[C@@H](C4=O
    )NCCc5cncn5CC6=CCC(C(C6)O3)C#N    		 (20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIA ZACYCLONOADECOSINE-9-CARBONITRILE;
    COMPOUND 66
    39006 U67
    ZINC000001587829    		 0 C6 H15 N InChI=1S/C6H15N/c1-6(2)4-
    3-5-7/h6H,3-5,7H2,1-2H3;
    QVIAMKXOQGCYCV-UHFFFAOYSA-N    		 CC(C)CCCN 4-methylpentan-1-amine
    39007 U68 1 C20 H19 N O5 InChI=1S/C20H19NO5/c1-13(
    20(22)26-18-9-6-17(7-10-1
    8)21(23)24)14-3-4-16-12-1
    9(25-2)8-5-15(16)11-14/h3
    -13,23-24H,1-2H3/t13-/m0/
    s1;
    DDQGDHCOPRIKDU-ZDUSSCGKSA-N    		 COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Oc3ccc(cc
    3)N(O)O; CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3c
    cc(cc3)N(O)O; COc1ccc2cc(ccc2c1)[CH](C)C
    (=O)Oc3ccc(cc3)N(O)O    		 (4-nitrophenyl) (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate
    39008 U69 2 C7 H13 O4 P InChI=1S/C7H13O4P/c8-12(9
    ,10)11-6-5-7-3-1-2-4-7/h5
    H,1-4,6H2,(H2,8,9,10);
    MQWCTBTVDHAUFQ-UHFFFAOYSA-N    		 O[P](O)(=O)OCC=C1CCCC1; O=P(O)(O)OC\C=C1
    \CCCC1; C1CCC(=CCOP(=O)(O)O)C1    		 2-cyclopentylideneethyl dihydrogen phosphate
    39009 U6A 0 C5 H9 N O5 InChI=1S/C5H9NO5/c1-2(7)3
    (4(8)9)6-5(10)11/h2-3,6-7
    H,1H3,(H,8,9)(H,10,11)/t2
    -,3+/m1/s1;
    OJLPTWSLDBSLEH-GBXIJSLDSA-N    		 CC(C(C(=O)O)NC(=O)O)O; C[C@@H](O)[C@H](N
    C(O)=O)C(O)=O; C[C@H]([C@@H](C(=O)O)NC(=
    O)O)O; C(NC(C(C)O)C(=O)O)(O)=O; C[CH](O)
    [CH](NC(O)=O)C(O)=O    		 N-carboxy-L-threonine
    39010 U6B 4 C22 H24 N4 O2 InChI=1S/C22H24N4O2/c23-1
    4-17-3-7-19(8-4-17)18-5-1
    -16(2-6-18)13-20(15-24)26
    -21(27)22(25)9-11-28-12-1
    0-22/h1-8,15,20,24H,9-13,
    25H2,(H,26,27)/b24-15+/t2
    0-/m0/s1;
    DARWOCJYMDFZES-UDIPQKBFSA-N    		 [H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)N
    C(=O)C3(CCOCC3)N; O=C(NC(C=[N@H])Cc2ccc(
    c1ccc(C#N)cc1)cc2)C3(N)CCOCC3; NC1(CCOCC
    1)C(=O)N[CH](Cc2ccc(cc2)c3ccc(cc3)C#N)C=
    N; c1cc(ccc1CC(C=N)NC(=O)C2(CCOCC2)N)c3c
    cc(cc3)C#N; NC1(CCOCC1)C(=O)N[C@@H](Cc2c
    cc(cc2)c3ccc(cc3)C#N)C=N    		 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE
    39011 U6C 4 C25 H28 N6 O InChI=1S/C25H28N6O/c1-2-4
    -19(5-3-1)16-28-22-14-21(
    17-26-18-22)20-6-7-24-23(
    15-20)25(30-29-24)27-8-9-
    31-10-12-32-13-11-31/h1-7
    ,14-15,17-18,28H,8-13,16H
    2,(H2,27,29,30);
    APHWGSVGTCKPNA-UHFFFAOYSA-N    		 c1ccc(cc1)CNc2cc(cnc2)c3ccc4c(c3)c(n[nH]
    4)NCCN5CCOCC5; C(CN1CCOCC1)Nc2n[nH]c3ccc
    (cc23)c4cncc(NCc5ccccc5)c4; N(CCN1CCOCC1
    )c1n[NH]c2ccc(cc21)c1cc(NCc2ccccc2)cnc1    		 (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine
    39012 U6D
    CHEMBL4528514    		 3 C28 H33 F4 N3 O InChI=1S/C28H33F4N3O/c1-1
    7-10-21-20-6-4-5-7-24(20)
    33-26(21)27(35(17)16-28(2
    ,3)32)25-22(30)11-19(12-2
    3(25)31)36-9-8-34-14-18(1
    3-29)15-34/h4-7,11-12,17-
    18,27,33H,8-10,13-16H2,1-
    3H3/t17-,27-/m1/s1;
    YENNSFZGAPUOQB-XGCWNURASA-N    		 C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)
    (C)F)c4c(F)cc(OCCN5CC(CF)C5)cc4F; CC1Cc2
    c3ccccc3[nH]c2C(N1CC(C)(C)F)c4c(cc(cc4F)
    OCCN5CC(C5)CF)F; C[CH]1Cc2c([nH]c3ccccc2
    3)[CH](N1CC(C)(C)F)c4c(F)cc(OCCN5CC(CF)C
    5)cc4F; C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N
    1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F;
    C5c1c(nc2c1cccc2)C(c4c(cc(OCCN3CC(CF)C3)
    cc4F)F)N(CC(F)(C)C)C5C    		 (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
    39013 U6E
    CHEMBL5085127    		 2 C16 H18 Cl N7 O S InChI=1S/C16H18ClN7OS/c1-
    8-6-26-16(20-8)23-14(25)9
    -2-4-10(5-3-9)24-7-19-11-
    12(18)21-15(17)22-13(11)2
    4/h6-7,9-10H,2-5H2,1H3,(H
    2,18,21,22)(H,20,23,25)/t
    9-,10+;
    JIOZKGZDCQTDDN-AOOOYVTPSA-N    		 Cc1csc(NC(=O)[C@@H]2CC[C@@H](CC2)n3cnc4c
    (N)nc(Cl)nc34)n1; Cc1csc(NC(=O)[CH]2CC[C
    H](CC2)n3cnc4c(N)nc(Cl)nc34)n1; Cc1csc(n
    1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)Cl    		 4-(6-azanyl-2-chloranyl-purin-9-yl)-~{N}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
    39014 U6F 3 C9 H18 N2 O24 P6 InChI=1S/C9H18N2O24P6/c12
    -5-1-2-11(9(15)10-5)8-7(1
    4)6(13)4(30-8)3-29-37(19,
    20)32-39(23,24)34-41(27,2
    8)35-40(25,26)33-38(21,22
    )31-36(16,17)18/h1-2,4,6-
    8,13-14H,3H2,(H,19,20)(H,
    21,22)(H,23,24)(H,25,26)(
    H,27,28)(H,10,12,15)(H2,1
    6,17,18)/t4-,6-,7-,8-/m1/
    s1;
    NJANLGXPTVMCFP-XVFCMESISA-N    		 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)
    (O)OP(=O)(O)OP(=O)(O)O)O)O; O=P(O)(O)OP(
    =O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(
    O)OCC1OC(N2C=CC(=O)NC2=O)C(O)C1O; O[CH]1
    [CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O
    )O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O
    )(O)=O)N2C=CC(=O)NC2=O; C1=CN(C(=O)NC1=O
    )C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)
    OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O; O[C@H]
    1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P
    ](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O
    )O[P](O)(O)=O)N2C=CC(=O)NC2=O    		 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine
    39015 U6G
    CHEMBL4791214    		 2 C24 H20 Cl2 N2 O2 InChI=1S/C24H20Cl2N2O2/c2
    5-20-9-7-17(8-10-20)23(29
    )27-15-16-6-11-22-18(13-1
    6)4-2-12-28(22)24(30)19-3
    -1-5-21(26)14-19/h1,3,5-1
    1,13-14H,2,4,12,15H2,(H,2
    7,29);
    XCOPXJUWALYDIJ-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)C(=O)N2CCCc3c2ccc(c3)CNC(=
    O)c4ccc(cc4)Cl; Clc1ccc(cc1)C(=O)NCc2ccc
    3N(CCCc3c2)C(=O)c4cccc(Cl)c4; c4(ccc(C(=
    O)NCc1ccc2c(c1)CCCN2C(=O)c3cccc(c3)Cl)cc
    4)Cl    		 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide
    39016 U6H
    CHEMBL5073844    		 2 C24 H25 N7 O2 InChI=1S/C24H25N7O2/c1-33
    -19-4-2-3-17(13-19)28-24(
    32)16-5-7-18(8-6-16)31-14
    -27-20-21(25)29-22(30-23(
    20)31)15-9-11-26-12-10-15
    /h2-4,9-14,16,18H,5-8H2,1
    H3,(H,28,32)(H2,25,29,30)
    /t16-,18+;
    JLJXNSYNQKBEKE-MAEOIBBWSA-N    		 COc1cccc(c1)NC(=O)C2CCC(CC2)n3cnc4c3nc(n
    c4N)c5ccncc5; COc1cccc(NC(=O)[CH]2CC[CH]
    (CC2)n3cnc4c(N)nc(nc34)c5ccncc5)c1; COc1
    cccc(NC(=O)[C@@H]2CC[C@@H](CC2)n3cnc4c(N
    )nc(nc34)c5ccncc5)c1    		 4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
    39017 U6J
    ZINC000087528195    		 5 C6 H18 O24 P6 InChI=1S/C6H18O24P6/c7-1-
    2(25-31(8,9)10)4(27-33(14
    ,15)16)6(29-36(23,24)30-3
    5(20,21)22)5(28-34(17,18)
    19)3(1)26-32(11,12)13/h1-
    7H,(H,23,24)(H2,8,9,10)(H
    2,11,12,13)(H2,14,15,16)(
    H2,17,18,19)(H2,20,21,22)
    /t1-,2+,3-,4-,5+,6+;
    FFZGWHDHUIRNPY-KXXVROSKSA-N    		 O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=
    O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P]
    (O)(O)=O)[CH]1O[P](O)(O)=O; C1(C(C(C(C(C
    1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O
    )O)OP(=O)(O)O)OP(=O)(O)O)O; O[C@@H]1[C@H
    ](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]
    (O[P](O)(=O)O[P](O)(O)=O)[C@@H](O[P](O)(
    O)=O)[C@@H]1O[P](O)(O)=O; C1(OP(O)(=O)O)
    C(OP(O)(OP(O)(O)=O)=O)C(C(C(O)C1OP(O)(O)
    =O)OP(O)(O)=O)OP(=O)(O)O; [C@H]1([C@H](C
    ([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)
    OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)
    O    		 (1r,2R,3S,4r,5R,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
    39018 U6K 1 C20 H23 N5 O4 InChI=1S/C20H23N5O4/c21-1
    8-13-5-7-25(19(13)24-10-2
    3-18)20-17(27)16(26)15(29
    -20)9-28-12-4-3-11-2-1-6-
    22-14(11)8-12/h1-8,10,13,
    15-20,26-27H,9,21H2,(H,23
    ,24)/t13-,15+,16+,17+,18+
    ,19-,20+/m0/s1;
    ZIYBQKLKBCWPQZ-AUENAHFOSA-N    		 c1cc2ccc(cc2nc1)OCC3C(C(C(O3)N4C=CC5C4NC
    =NC5N)O)O; c1cc2ccc(cc2nc1)OC[C@@H]3[C@H
    ]([C@H]([C@@H](O3)N4C=C[C@@H]5[C@H]4NC=N
    C5N)O)O; N[C@@H]1N=CN[C@@H]2[C@H]1C=CN2[
    C@@H]3O[C@H](COc4ccc5cccnc5c4)[C@@H](O)[
    C@H]3O; N[CH]1N=CN[CH]2[CH]1C=CN2[CH]3O[
    CH](COc4ccc5cccnc5c4)[CH](O)[CH]3O    		 (2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol
    39019 U6M
    CHEMBL472783
    ZINC000014975893    		 1 C10 H15 N2 O9 P InChI=1S/C10H15N2O9P/c1-4
    -2-6(13)11-10(16)12(4)9-8
    (15)7(14)5(21-9)3-20-22(1
    7,18)19/h2,5,7-9,14-15H,3
    H2,1H3,(H,11,13,16)(H2,17
    ,18,19)/t5-,7-,8-,9-/m1/s
    1;
    CHBBJHPQYVYKFI-ZOQUXTDFSA-N    		 CC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C
    @H](O2)COP(=O)(O)O)O)O; O=P(O)(O)OCC2OC(
    N1C(=O)NC(=O)C=C1C)C(O)C2O; CC1=CC(=O)NC
    (=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O; CC1=CC
    (=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH
    ](O)[CH]2O; CC1=CC(=O)NC(=O)N1[C@@H]2O[C
    @H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O    		 6-methyluridine 5'-(dihydrogen phosphate)
    39020 U6N 5 C28 H27 Cl N4 O2 InChI=1S/C28H27ClN4O2/c1-
    4-6-15-33-23(5-2)24(20-13
    -10-14-21(29)18(20)3)25-2
    6(30-17-31-27(25)33)32-22
    (28(34)35)16-19-11-8-7-9-
    12-19/h7-14,17,22H,5,15-1
    6H2,1-3H3,(H,34,35)(H,30,
    31,32)/t22-/m1/s1;
    PMJJSYCWIFTUKH-JOCHJYFZSA-N    		 CCc1c(c2c(ncnc2n1CC#CC)NC(Cc3ccccc3)C(=O
    )O)c4cccc(c4C)Cl; CCc1c(c2c(ncnc2n1CC#CC
    )N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl;
    CCc1n(CC#CC)c2ncnc(N[CH](Cc3ccccc3)C(O)=
    O)c2c1c4cccc(Cl)c4C; CCc1n(CC#CC)c2ncnc(
    N[C@H](Cc3ccccc3)C(O)=O)c2c1c4cccc(Cl)c4
    C    		 (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
    39021 U6O
    CHEMBL3919426    		 1 C18 H19 N3 O4 S InChI=1S/C18H19N3O4S/c1-8
    -9(2)26-17(13(8)16-19-14(
    21-25-16)10-6-7-10)20-15(
    22)11-4-3-5-12(11)18(23)2
    4/h10H,3-7H2,1-2H3,(H,20,
    22)(H,23,24);
    RYWRDPDRJFAYQY-UHFFFAOYSA-N    		 Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(c1C)c3onc
    (n3)C4CC4; Cc1c(sc(c1c2nc(no2)C3CC3)NC(=
    O)C4=C(CCC4)C(=O)O)C; O=C(Nc1sc(C)c(C)c1
    c1nc(no1)C1CC1)C=1CCCC=1C(=O)O    		 2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
    39022 U6Q
    CHEMBL4515659    		 1 C24 H22 Cl N3 O2 S InChI=1S/C24H22ClN3O2S/c1
    -3-19-20(16-10-7-11-17(25
    )14(16)2)21-22(26-13-27-2
    3(21)31-19)28-18(24(29)30
    )12-15-8-5-4-6-9-15/h4-11
    ,13,18H,3,12H2,1-2H3,(H,2
    9,30)(H,26,27,28)/t18-/m1
    /s1;
    MLKUMODNHNMDBV-GOSISDBHSA-N    		 CCc1c(c2c(ncnc2s1)NC(Cc3ccccc3)C(=O)O)c4
    cccc(c4C)Cl; CCc1c(c2c(ncnc2s1)N[C@H](Cc
    3ccccc3)C(=O)O)c4cccc(c4C)Cl; CCc1sc2ncn
    c(N[CH](Cc3ccccc3)C(O)=O)c2c1c4cccc(Cl)c
    4C; CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)
    c2c1c4cccc(Cl)c4C    		 (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
    39023 U6R 1 C16 H15 N3 O2 InChI=1S/C16H15N3O2/c1-21
    -12-6-4-11(5-7-12)16-14-1
    3(8-9-19(16)20)17-18-15(1
    4)10-2-3-10/h4-10,20H,2-3
    H2,1H3;
    GHHDCRXXTMGWKA-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c-3c(nnc3ccn2O)C4CC4; COc1
    ccc(cc1)c2n(O)ccc3nnc(C4CC4)c23    		 3-cyclopropyl-4-(4-methoxyphenyl)-5-oxidanyl-pyrazolo[4,3-c]pyridine
    39024 U6S
    CHEMBL5272860    		 2 C22 H20 N6 O InChI=1S/C22H20N6O/c29-22
    (27-19-13-23-10-8-17(19)1
    6-4-2-1-3-5-16)18-9-11-26
    -28-20(14-25-21(18)28)24-
    12-15-6-7-15/h1-5,8-11,13
    -15,24H,6-7,12H2,(H,27,29
    );
    UXFHOMCAQUWAHI-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccncc2NC(=O)c3ccnn4c3ncc4NCC
    5CC5; O=C(Nc1cnccc1c2ccccc2)c3ccnn4c(NCC
    5CC5)cnc34; O=C(Nc1cnccc1c1ccccc1)c1ccnn
    2c(cnc12)NCC1CC1    		 (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide
    39025 U6T
    CHEMBL5089380    		 2 C19 H19 F3 N6 O3 S InChI=1S/C19H19F3N6O3S/c2
    0-19(21,22)32(30,31)14-7-
    3-12(4-8-14)27-18(29)11-1
    -5-13(6-2-11)28-10-26-15-
    16(23)24-9-25-17(15)28/h3
    -4,7-11,13H,1-2,5-6H2,(H,
    27,29)(H2,23,24,25)/t11-,
    13+;
    QWZUCMUBFGMZFO-BJHJDKERSA-N    		 c1cc(ccc1NC(=O)C2CCC(CC2)n3cnc4c3ncnc4N)
    S(=O)(=O)C(F)(F)F; Nc1ncnc2n(cnc12)[CH]3
    CC[CH](CC3)C(=O)Nc4ccc(cc4)[S](=O)(=O)C(
    F)(F)F; Nc1ncnc2n(cnc12)[C@@H]3CC[C@@H](
    CC3)C(=O)Nc4ccc(cc4)[S](=O)(=O)C(F)(F)F    		 4-(6-aminopurin-9-yl)-~{N}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
    39026 U6V
    CHEMBL4637053    		 2 C28 H35 F N4 O3 S InChI=1S/C28H35FN4O3S/c29
    -26-11-7-25(8-12-26)21-33
    (20-16-24-9-13-27(14-10-2
    4)37(31,35)36)28(34)22-32
    (18-4-17-30)19-15-23-5-2-
    1-3-6-23/h1-3,5-14H,4,15-
    22,30H2,(H2,31,35,36);
    PTOFZDQATQXAPS-UHFFFAOYSA-N    		 NCCCN(CCc1ccccc1)CC(=O)N(CCc2ccc(cc2)[S]
    (N)(=O)=O)Cc3ccc(F)cc3; c1ccc(cc1)CCN(CC
    CN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc
    (cc3)F; C(c1ccc(F)cc1)N(CCc2ccc(cc2)S(N)
    (=O)=O)C(CN(CCc3ccccc3)CCCN)=O    		 N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
    39027 U6W
    CHEMBL478640
    ZINC000001596395    		 1 C5 H6 O2 InChI=1S/C5H6O2/c1-4-2-3-
    5(6)7-4/h2H,3H2,1H3;
    QOTQFLOTGBBMEX-UHFFFAOYSA-N    		 CC1=CCC(=O)O1 5-methyl-3~{H}-furan-2-one;
    alpha-angelica lactone
    39028 U6X 1 C15 H23 N3 O4 S InChI=1S/C15H23N3O4S/c1-3
    -18-8-4-5-11(18)10-17-15(
    19)13-9-12(23(16,20)21)6-
    7-14(13)22-2/h6-7,9,11H,3
    -5,8,10H2,1-2H3,(H,17,19)
    (H2,16,20,21)/t11-/m0/s1;
    BGRJTUBHPOOWDU-NSHDSACASA-N    		 CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N;
    CCN1CCC[CH]1CNC(=O)c2cc(ccc2OC)[S](N)(=O
    )=O; CCN1CCC[C@H]1CNC(=O)c2cc(ccc2OC)S(=
    O)(=O)N; CCN1CCC[C@H]1CNC(=O)c2cc(ccc2OC
    )[S](N)(=O)=O    		 Levosulpiride;
    ~{N}-[[(2~{S})-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoyl-benzamide
    39029 U6Y 1 C29 H41 N5 O7 InChI=1S/C29H41N5O7/c1-17
    (2)12-23(34-15-21(14-24(3
    4)35)32-29(40)41-16-18-6-
    4-3-5-7-18)27(38)33-22(13
    -19-10-11-30-26(19)37)25(
    36)28(39)31-20-8-9-20/h3-
    7,17,19-23,25,36H,8-16H2,
    1-2H3,(H,30,37)(H,31,39)(
    H,32,40)(H,33,38)/t19-,21
    -,22-,23-,25+/m0/s1;
    CJHGCZGBAUVONS-TVLDRFKXSA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(C(=O)NC2CC2
    )O)N3CC(CC3=O)NC(=O)OCc4ccccc4; CC(C)C[C
    @@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](
    C(=O)NC2CC2)O)N3C[C@H](CC3=O)NC(=O)OCc4c
    cccc4; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)C(
    =O)NC1CC1)N1CC(CC1=O)NC(=O)OCc1ccccc1; C
    C(C)C[C@H](N1C[C@H](CC1=O)NC(=O)OCc2cccc
    c2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](O
    )C(=O)NC4CC4; CC(C)C[CH](N1C[CH](CC1=O)N
    C(=O)OCc2ccccc2)C(=O)N[CH](C[CH]3CCNC3=O
    )[CH](O)C(=O)NC4CC4    		 benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate
    39030 U6Z
    CHEMBL572
    DB00698
    ZINC000003875368    		 0 C8 H6 N4 O5 InChI=1S/C8H6N4O5/c13-6-4
    -11(8(14)10-6)9-3-5-1-2-7
    (17-5)12(15)16/h1-3H,4H2,
    (H,10,13,14)/b9-3+;
    NXFQHRVNIOXGAQ-YCRREMRBSA-N    		 O=C1CN(N=Cc2oc(cc2)[N](=O)=O)C(=O)N1; c1
    cc(oc1C=NN2CC(=O)NC2=O)N(=O)=O; c1cc(oc1
    /C=N/N2CC(=O)NC2=O)N(=O)=O; O=C1CN(/N=C/
    c2oc(cc2)[N](=O)=O)C(=O)N1    		 1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione;
    Nitrofurantoin
    39031 U70
    CHEMBL5290513    		 2 C22 H21 Cl2 N7 S InChI=1S/C22H21Cl2N7S/c1-
    11-9-32-21(27-11)22(10-25
    )13-5-6-31(8-14(13)22)16-
    7-26-19-18(29-30-20(19)28
    -16)12-3-2-4-15(23)17(12)
    24/h2-4,7,9,13-14H,5-6,8,
    10,25H2,1H3,(H,28,29,30)/
    t13-,14+,22+/m1/s1;
    BDJJZYXDJQVPIV-QLEMLULZSA-N    		 Cc1csc(n1)[C@@]2(CN)[C@@H]3CCN(C[C@H]23)
    c4cnc5c([nH]nc5n4)c6cccc(Cl)c6Cl; Cc1csc
    (n1)C2(C3C2CN(CC3)c4cnc5c([nH]nc5n4)c6cc
    cc(c6Cl)Cl)CN; Cc1csc(n1)[C@]2([C@H]3[C@
    @H]2CN(CC3)c4cnc5c([nH]nc5n4)c6cccc(c6Cl
    )Cl)CN; Cc1csc(n1)[C]2(CN)[CH]3CCN(C[CH]
    23)c4cnc5c([nH]nc5n4)c6cccc(Cl)c6Cl    		 [(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
    39032 U71
    ZINC000095636532    		 1 C6 H19 O27 P7 InChI=1S/C6H19O27P7/c7-34
    (8,9)27-1-2(28-35(10,11)1
    2)4(30-37(16,17)18)6(32-4
    0(25,26)33-39(22,23)24)5(
    31-38(19,20)21)3(1)29-36(
    13,14)15/h1-6H,(H,25,26)(
    H2,7,8,9)(H2,10,11,12)(H2
    ,13,14,15)(H2,16,17,18)(H
    2,19,20,21)(H2,22,23,24)/
    t1-,2-,3-,4+,5-,6-/m0/s1;
    UPHPWXPNZIOZJL-CNWJWELYSA-N    		 O[P](O)(=O)O[C@H]1[C@H](O[P](O)(O)=O)[C@
    @H](O[P](O)(O)=O)[C@H](O[P](O)(=O)O[P](O
    )(O)=O)[C@@H](O[P](O)(O)=O)[C@H]1O[P](O)
    (O)=O; C1(C(C(OP(O)(O)=O)C(OP(O)(OP(O)(O
    )=O)=O)C(C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(=
    O)O)OP(O)(O)=O; O[P](O)(=O)O[CH]1[CH](O[
    P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O
    )(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]
    1O[P](O)(O)=O; C1(C(C(C(C(C1OP(=O)(O)O)O
    P(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O
    )OP(=O)(O)O)OP(=O)(O)O; [C@H]1([C@H](C([
    C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O
    )(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(
    =O)(O)O    		 (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
    39033 U72 4 C12 H15 N3 InChI=1S/C12H15N3/c1-14-8
    -10-5-2-4-9-6-3-7-15(11(9
    )10)12(14)13/h2,4-5,13H,3
    ,6-8H2,1H3/b13-12+;
    STPBYFBWXRKLRN-OUKQBFOZSA-N    		 [H]/N=C/1\N(Cc2cccc3c2N1CCC3)C; CN1Cc2cc
    cc3CCCN(C1=N)c23; CN1Cc2cccc3c2N(C1=N)CC
    C3    		 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine;
    3-methyl-1,3-diazatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-2-imine
    39034 U73
    DB08677    		 1 C13 H15 N3 O S InChI=1S/C13H15N3OS/c1-9(
    2)11-8-15-13(18-11)16-12(
    17)6-10-4-3-5-14-7-10/h3-
    5,7-9H,6H2,1-2H3,(H,15,16
    ,17);
    WQZOOPQQADNJEG-UHFFFAOYSA-N    		 CC(C)C1=CN/C(=N/C(=O)Cc2cccnc2)/S1; CC(C
    )C1=CNC(S1)=NC(=O)Cc2cccnc2; CC(C)C1=CNC
    (=NC(=O)Cc2cccnc2)S1; O=C(\N=C1/SC(=CN1)
    C(C)C)Cc2cccnc2    		 N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE
    39035 U74 1 C16 H15 N3 O InChI=1S/C16H15N3O/c1-20-
    12-6-4-10(5-7-12)15-14-13
    (8-9-17-15)18-19-16(14)11
    -2-3-11/h4-9,11H,2-3H2,1H
    3,(H,18,19);
    MDGTTXDVZGRPBW-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c3c(ccn2)[nH]nc3C4CC4; COc
    1ccc(cc1)c2nccc3[nH]nc(C4CC4)c23    		 3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine
    39036 U75
    CHEMBL3828771
    ZINC000584905714    		 5 C23 H22 N4 O3 InChI=1S/C23H22N4O3/c1-3-
    20-19(21(24)27-23(25)26-2
    0)6-4-5-14-11-17(13-18(12
    -14)30-2)15-7-9-16(10-8-1
    5)22(28)29/h7-13H,3,5H2,1
    -2H3,(H,28,29)(H4,24,25,2
    6,27);
    VLQRVOAJCWFFQG-UHFFFAOYSA-N    		 CCc1nc(N)nc(N)c1C#CCc2cc(OC)cc(c2)c3ccc(
    cc3)C(O)=O; CCc1c(c(nc(n1)N)N)C#CCc2cc(c
    c(c2)OC)c3ccc(cc3)C(=O)O    		 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid;
    3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid;
    UCP1175
    39037 U76 1 C30 H41 F2 N5 O7 InChI=1S/C30H41F2N5O7/c1-
    16(2)9-24(28(41)36-23(12-
    18-7-8-33-27(18)40)26(39)
    29(42)34-21-3-4-21)37-14-
    22(5-6-25(37)38)35-30(43)
    44-15-17-10-19(31)13-20(3
    2)11-17/h10-11,13,16,18,2
    1-24,26,39H,3-9,12,14-15H
    2,1-2H3,(H,33,40)(H,34,42
    )(H,35,43)(H,36,41)/t18-,
    22-,23-,24-,26+/m0/s1;
    NMYLRAOUIBCXHJ-PPCGFTSFSA-N    		 CC(C)C[C@H](N1C[C@H](CCC1=O)NC(=O)OCc2cc
    (F)cc(F)c2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)
    [C@@H](O)C(=O)NC4CC4; CC(C)C[CH](N1C[CH]
    (CCC1=O)NC(=O)OCc2cc(F)cc(F)c2)C(=O)N[CH
    ](C[CH]3CCNC3=O)[CH](O)C(=O)NC4CC4; CC(C
    )CC(C(=O)NC(CC1CCNC1=O)C(C(=O)NC2CC2)O)N
    3CC(CCC3=O)NC(=O)OCc4cc(cc(c4)F)F; CC(C)
    C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@
    H](C(=O)NC2CC2)O)N3C[C@H](CCC3=O)NC(=O)O
    Cc4cc(cc(c4)F)F; O=C1NCCC1CC(NC(=O)C(CC(
    C)C)N1CC(CCC1=O)NC(=O)OCc1cc(F)cc(F)c1)C
    (O)C(=O)NC1CC1    		 (3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate
    39038 U77
    CHEMBL4633714    		 3 C26 H31 N3 O6 S InChI=1S/C26H31N3O6S/c27-
    36(33,34)24-10-8-22(9-11-
    24)13-17-29(19-23-7-4-18-
    35-23)25(30)20-28(16-14-2
    6(31)32)15-12-21-5-2-1-3-
    6-21/h1-11,18H,12-17,19-2
    0H2,(H,31,32)(H2,27,33,34
    );
    VOLPYGCWCBVKEI-UHFFFAOYSA-N    		 c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(c
    c2)S(=O)(=O)N)Cc3ccco3; c1c(ccc(c1)CCN(C
    (CN(CCc2ccccc2)CCC(O)=O)=O)Cc3occc3)S(N)
    (=O)=O; N[S](=O)(=O)c1ccc(CCN(Cc2occc2)C
    (=O)CN(CCC(O)=O)CCc3ccccc3)cc1    		 N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine
    39039 U78
    ZINC000058289717    		 2 C11 H15 N O InChI=1S/C11H15NO/c1-9-5-
    3-4-6-11(9)7-8-12-10(2)13
    /h3-6H,7-8H2,1-2H3,(H,12,
    13);
    OAMCTZZCYXDSLI-UHFFFAOYSA-N    		 Cc1ccccc1CCNC(=O)C; CC(=O)NCCc1ccccc1C ~{N}-[2-(2-methylphenyl)ethyl]ethanamide
    39040 U79 2 C44 H38 N8 O5 S2 InChI=1S/C44H38N8O5S2/c1-
    24-6-19-35(41-38(24)33(21
    -45)23-46-41)51-59(55,56)
    34-17-7-28(8-18-34)22-47-
    43(54)32-15-11-30(12-16-3
    2)29-9-13-31(14-10-29)40-
    39-25(2)26(3)58-44(39)52-
    27(4)49-50-42(52)36(48-40
    )20-37(53)57-5/h6-19,23,3
    6,46,51H,20,22H2,1-5H3,(H
    ,47,54)/t36-/m0/s1;
    HHSZFSOLNUHGMP-BHVANESWSA-N    		 Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(
    cc3)CNC(=O)c4ccc(cc4)c5ccc(cc5)C6=N[C@H]
    (c7nnc(n7-c8c6c(c(s8)C)C)C)CC(=O)OC; Cc1
    ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3
    )CNC(=O)c4ccc(cc4)c5ccc(cc5)C6=NC(c7nnc(
    n7-c8c6c(c(s8)C)C)C)CC(=O)OC; COC(=O)C[C
    @@H]1N=C(c2ccc(cc2)c3ccc(cc3)C(=O)NCc4cc
    c(cc4)[S](=O)(=O)Nc5ccc(C)c6c5[nH]cc6C#N
    )c7c(C)c(C)sc7n8c(C)nnc18; COC(=O)C[CH]1
    N=C(c2ccc(cc2)c3ccc(cc3)C(=O)NCc4ccc(cc4
    )[S](=O)(=O)Nc5ccc(C)c6c5[nH]cc6C#N)c7c(
    C)c(C)sc7n8c(C)nnc18    		 methyl 2-[(9~{S})-7-[4-[4-[[4-[(3-cyano-4-methyl-1~{H}-indol-7-yl)sulfamoyl]phenyl]methylcarbamoyl]phenyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoate
    39041 U7A
    CHEMBL4649113    		 1 C29 H34 N4 O3 S InChI=1S/C29H34N4O3S/c30-
    19-7-20-32(21-16-25-8-3-1
    -4-9-25)24-29(34)33(22-17
    -26-10-5-2-6-11-26)23-18-
    27-12-14-28(15-13-27)37(3
    1,35)36/h1-6,8-15H,7,16-1
    8,20-24H2,(H2,31,35,36);
    XZPNEWBDLFUWEA-UHFFFAOYSA-N    		 c1ccc(cc1)CCN(CCC#N)CC(=O)N(CCc2ccccc2)C
    Cc3ccc(cc3)S(=O)(=O)N; N[S](=O)(=O)c1ccc
    (CCN(CCc2ccccc2)C(=O)CN(CCC#N)CCc3ccccc3
    )cc1; c1c(ccc(c1)CCN(C(CN(CCc2ccccc2)CCC
    #N)=O)CCc3ccccc3)S(N)(=O)=O    		 N~2~-(2-cyanoethyl)-N,N~2~-bis(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
    39042 U7B
    CHEMBL3236427
    ZINC000013516753    		 0 C9 H12 F2 N3 O7 P InChI=1S/C9H12F2N3O7P/c10
    -9(11)6(15)4(3-20-22(17,1
    8)19)21-7(9)14-2-1-5(12)1
    3-8(14)16/h1-2,4,6-7,15H,
    3H2,(H2,12,13,16)(H2,17,1
    8,19)/t4-,6-,7-/m1/s1;
    KNTREFQOVSMROS-QPPQHZFASA-N    		 NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(
    O)=O)[C@@H](O)C2(F)F; C1=CN(C(=O)N=C1N)C
    2C(C(C(O2)COP(=O)(O)O)O)(F)F; NC1=NC(=O)
    N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)C
    2(F)F; C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([
    C@H](O2)COP(=O)(O)O)O)(F)F    		 2'-deoxy-2'2'-difluorodeoxycytidine;
    [(2~{R},3~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4,4-bis(fluoranyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
    39043 U7C 1 C12 H8 N2 O3 InChI=1S/C12H8N2O3/c15-12
    (16)10-5-11(17-14-10)8-6-
    13-9-4-2-1-3-7(8)9/h1-6,1
    3H,(H,15,16);
    LTJHKDMGKKYAIF-UHFFFAOYSA-N    		 OC(=O)c1cc(on1)c2c[nH]c3ccccc23; c1ccc2c
    (c1)c(c[nH]2)c3cc(no3)C(=O)O    		 5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic acid
    39044 U7D
    CHEMBL2134995
    ZINC000000383396    		 0 C14 H12 F3 N3 S InChI=1S/C14H12F3N3S/c1-9
    -5-6-18-12(7-9)20-13(21)1
    9-11-4-2-3-10(8-11)14(15,
    16)17/h2-8H,1H3,(H2,18,19
    ,20,21);
    FSUJUFLZGYFLEM-UHFFFAOYSA-N    		 Cc1ccnc(c1)NC(=S)Nc2cccc(c2)C(F)(F)F; Cc
    1ccnc(NC(=S)Nc2cccc(c2)C(F)(F)F)c1    		 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea;
    CHEMBL2134995
    39045 U7E
    ZINC000095221676    		 1 C7 H7 N5 O2 S InChI=1S/C7H7N5O2S/c8-15(
    13,14)6-3-1-2-5(4-6)7-9-1
    1-12-10-7/h1-4H,(H2,8,13,
    14)(H,9,10,11,12);
    BIOBAIFFWOWFPU-UHFFFAOYSA-N    		 N[S](=O)(=O)c1cccc(c1)c2[nH]nnn2; c1cc(c
    c(c1)S(=O)(=O)N)c2[nH]nnn2    		 5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE
    39046 U7F 2 C13 H17 F3 N O4 P InChI=1S/C13H17F3NO4P/c1-
    8(2)7-11(22(19,20)21)12(1
    8)17-10-5-3-9(4-6-10)13(1
    4,15)16/h3-6,8,11H,7H2,1-
    2H3,(H,17,18)(H2,19,20,21
    )/t11-/m1/s1;
    ORECNCXKBPLBGJ-LLVKDONJSA-N    		 CC(C)C[C@H](C(=O)Nc1ccc(cc1)C(F)(F)F)[P]
    (O)(O)=O; CC(C)CC(C(=O)Nc1ccc(cc1)C(F)(F
    )F)P(=O)(O)O; CC(C)C[C@H](C(=O)Nc1ccc(cc
    1)C(F)(F)F)P(=O)(O)O; CC(C)C[CH](C(=O)Nc
    1ccc(cc1)C(F)(F)F)[P](O)(O)=O    		 [(2~{R})-4-methyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-2-yl]phosphonic acid
    39047 U7G
    CHEMBL4633807    		 1 C26 H34 N4 O4 S InChI=1S/C26H34N4O4S/c27-
    15-5-16-29(17-13-22-6-2-1
    -3-7-22)21-26(31)30(20-24
    -8-4-19-34-24)18-14-23-9-
    11-25(12-10-23)35(28,32)3
    3/h1-4,6-12,19H,5,13-18,2
    0-21,27H2,(H2,28,32,33);
    UAMDHZJOGXWLGH-UHFFFAOYSA-N    		 c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S
    (=O)(=O)N)Cc3ccco3; NCCCN(CCc1ccccc1)CC(
    =O)N(CCc2ccc(cc2)[S](N)(=O)=O)Cc3occc3;
    c1c(ccc(c1)CCN(C(CN(CCc2ccccc2)CCCN)=O)C
    c3occc3)S(N)(=O)=O    		 N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
    39048 U7H 4 C27 H29 N5 O2 InChI=1S/C27H29N5O2/c1-20
    -24(21-7-4-3-5-8-21)18-32
    (29-20)19-27(2,34)26(33)3
    1-15-13-30(14-16-31)25-10
    -6-9-22-17-28-12-11-23(22
    )25/h3-12,17-18,34H,13-16
    ,19H2,1-2H3/t27-/m0/s1;
    NIAOQHXCKBVCFC-MHZLTWQESA-N    		 Cc1nn(C[C@](C)(O)C(=O)N2CCN(CC2)c3cccc4c
    nccc34)cc1c5ccccc5; Cc1nn(C[C](C)(O)C(=O
    )N2CCN(CC2)c3cccc4cnccc34)cc1c5ccccc5; C
    c1c(cn(n1)C[C@@](C)(C(=O)N2CCN(CC2)c3ccc
    c4c3ccnc4)O)c5ccccc5; Cc1c(cn(n1)CC(C)(C
    (=O)N2CCN(CC2)c3cccc4c3ccnc4)O)c5ccccc5    		 2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1H-pyrazol-1-yl)propan-1-one;
    (2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-pyrazol-1-yl)-2-oxidanyl-propan-1-one
    39049 U7I 3 C10 H13 F N2 O5 InChI=1S/C10H13FN2O5/c1-1
    0(11)7(16)5(4-14)18-8(10)
    13-3-2-6(15)12-9(13)17/h2
    -3,5,7-8,14,16H,4H2,1H3,(
    H,12,15,17)/t5-,7-,8-,10-
    /m1/s1;
    ARKKGZQTGXJVKW-VPCXQMTMSA-N    		 CC1(C(C(OC1N2C=CC(=O)NC2=O)CO)O)F; C[C]1
    (F)[CH](O)[CH](CO)O[CH]1N2C=CC(=O)NC2=O;
    O=C1NC(=O)N(C=C1)C1OC(CO)C(O)C1(C)F; C[
    C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O
    )CO)O)F; C[C@@]1(F)[C@H](O)[C@@H](CO)O[C
    @H]1N2C=CC(=O)NC2=O    		 2'-deoxy-2'-fluoro-2'-methyluridine;
    PSI-6206
    39050 U7J
    CHEMBL4642599    		 2 C32 H35 N3 O5 S InChI=1S/C32H35N3O5S/c33-
    41(39,40)30-14-11-26(12-1
    5-30)17-21-35(23-27-10-13
    -28-8-4-5-9-29(28)22-27)3
    1(36)24-34(20-18-32(37)38
    )19-16-25-6-2-1-3-7-25/h1
    -15,22H,16-21,23-24H2,(H,
    37,38)(H2,33,39,40);
    PYCJQGYVMKZBRZ-UHFFFAOYSA-N    		 c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(c
    c2)S(=O)(=O)N)Cc3ccc4ccccc4c3; N[S](=O)(
    =O)c1ccc(CCN(Cc2ccc3ccccc3c2)C(=O)CN(CCC
    (O)=O)CCc4ccccc4)cc1; C(=O)(N(Cc2ccc1ccc
    cc1c2)CCc3ccc(cc3)S(N)(=O)=O)CN(CCc4cccc
    c4)CCC(O)=O    		 N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine
    39051 U7K 4 C27 H29 N5 O2 S InChI=1S/C27H29N5O2S/c1-2
    7(34,18-29-26-32-12-4-7-1
    9-5-3-9-23(35-26)24(19)32
    )25(33)31-15-13-30(14-16-
    31)22-8-2-6-20-17-28-11-1
    0-21(20)22/h2-3,5-6,8-11,
    17,34H,4,7,12-16,18H2,1H3
    /b29-26+/t27-/m0/s1;
    QZFUDKGJJOEDLX-PTRKPBRWSA-N    		 CC(CN=C1N2CCCc3c2c(ccc3)S1)(C(=O)N4CCN(C
    C4)c5cccc6c5ccnc6)O; C[C@](C/N=C/1\N2CCC
    c3c2c(ccc3)S1)(C(=O)N4CCN(CC4)c5cccc6c5c
    cnc6)O; C[C@](O)(CN=C1Sc2cccc3CCCN1c23)C
    (=O)N4CCN(CC4)c5cccc6cnccc56; C[C](O)(CN
    =C1Sc2cccc3CCCN1c23)C(=O)N4CCN(CC4)c5ccc
    c6cnccc56    		 (E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one;
    (2~{S})-1-(4-isoquinolin-5-ylpiperazin-1-yl)-2-methyl-2-oxidanyl-3-[(~{E})-3-thia-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-2-ylideneamino]propan-1-one
    39052 U7L 2 C14 H12 N2 O4 InChI=1S/C14H12N2O4/c1-16
    -6-9(8-4-2-3-5-11(8)16)13
    -10(7-17)12(14(18)19)15-2
    0-13/h2-6,17H,7H2,1H3,(H,
    18,19);
    JJKVKHLXSDXTKH-UHFFFAOYSA-N    		 Cn1cc(c2c1cccc2)c3c(c(no3)C(=O)O)CO; Cn1
    cc(c2onc(C(O)=O)c2CO)c3ccccc13    		 4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid
    39053 U7M 2 C11 H17 N3 O3 S InChI=1S/C11H17N3O3S/c1-2
    -3-8-13-11(15)14-9-4-6-10
    (7-5-9)18(12,16)17/h4-7H,
    2-3,8H2,1H3,(H2,12,16,17)
    (H2,13,14,15);
    KRWAZLNUJVEUNK-UHFFFAOYSA-N    		 CCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N; CCCCNC(
    =O)Nc1ccc(cc1)[S](N)(=O)=O    		 1-butyl-3-(4-sulfamoylphenyl)urea;
    4-(3-butylureido)benzenesulfonamide
    39054 U7O 1 C18 H22 N4 O3 InChI=1S/C18H22N4O3/c1-9(
    2)22-15-10(3)12(7-8-13(15
    )20(5)18(22)25)16(23)14-1
    1(4)19-21(6)17(14)24/h7-9
    ,24H,1-6H3;
    HRHBRYPNLOMYFW-UHFFFAOYSA-N    		 CC(C)N1C(=O)N(C)c2ccc(c(C)c12)C(=O)c3c(C
    )nn(C)c3O; Cc1c(ccc2c1N(C(=O)N2C)C(C)C)C
    (=O)c3c(nn(c3O)C)C    		 5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one
    39055 U7P
    CHEMBL132778
    ZINC000003932545    		 4 C24 H29 N O InChI=1S/C24H29NO/c1-23-1
    1-9-18(26)14-17(23)5-6-19
    -21-8-7-20(16-4-3-13-25-1
    5-16)24(21,2)12-10-22(19)
    23/h3-4,7,13-15,19,21-22H
    ,5-6,8-12H2,1-2H3/t19-,21
    -,22-,23-,24+/m0/s1;
    GYJZZAJJENTSTP-NHFPKVKZSA-N    		 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]
    4([C@H]3CC=C4c5cccnc5)C; C[C]12CCC(=O)C=
    C1CC[CH]3[CH]2CC[C]4(C)[CH]3CC=C4c5cccnc
    5; C35C2C(C)(C(c1cnccc1)=CC2)CCC3C4(C(=C
    C(=O)CC4)CC5)C; CC12CCC(=O)C=C1CCC3C2CCC
    4(C3CC=C4c5cccnc5)C; C[C@]12CCC(=O)C=C1C
    C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4c5c
    ccnc5    		 (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one;
    3-keto-delta4-abiraterone analog
    39056 U7Q
    CHEMBL5094611    		 1 C15 H10 F4 N2 InChI=1S/C15H10F4N2/c16-1
    2-5-3-11(4-6-12)2-1-8-20-
    13-7-9-21-14(10-13)15(17,
    18)19/h3-7,9-10H,8H2,(H,2
    0,21);
    LOCKKGFITVJYKW-UHFFFAOYSA-N    		 c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F; Fc1c
    cc(cc1)C#CCNc2ccnc(c2)C(F)(F)F    		 ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
    39057 U7R 1 C22 H21 F N4 O4 S InChI=1S/C22H21FN4O4S/c1-
    26-12-19(18-11-15(32(3,29
    )30)5-7-21(18)31-2)17-10-
    14(4-6-16(17)22(26)28)20-
    13-27(9-8-23)25-24-20/h4-
    7,10-13H,8-9H2,1-3H3;
    UPJSJOPWDGOEFC-UHFFFAOYSA-N    		 FCCn1cc(nn1)c1ccc2C(=O)N(C)C=C(c3cc(ccc3
    OC)S(C)(=O)=O)c2c1; COc1ccc(cc1C2=CN(C)C
    (=O)c3ccc(cc23)c4cn(CCF)nn4)[S](C)(=O)=O
    ; CN1C=C(c2cc(ccc2C1=O)c3cn(nn3)CCF)c4cc
    (ccc4OC)S(=O)(=O)C    		 (4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one
    39058 U7S
    CHEMBL1631216
    ZINC000003821131    		 1 C20 H21 Br F N3 O S InChI=1S/C20H21BrFN3OS/c1
    -12-17(27-20(13(2)22)19(1
    2)21)11-23-8-5-9-24-18-10
    -16(26)14-6-3-4-7-15(14)2
    5-18/h3-4,6-7,10,23H,2,5,
    8-9,11H2,1H3,(H2,24,25,26
    );
    BGJMKHPWCFXMOW-UHFFFAOYSA-N    		 Cc1c(sc(c1Br)C(=C)F)CNCCCNC2=CC(=O)c3ccc
    cc3N2; c3(c(Br)c(c(CNCCCNC=1Nc2c(C(C=1)=
    O)cccc2)s3)C)\C(=C)F; Cc1c(Br)c(sc1CNCCC
    NC2=CC(=O)c3ccccc3N2)C(F)=C    		 2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1H)-one
    39059 U7T 0 C12 H14 N5 O6 P InChI=1S/C12H14N5O6P/c18-
    6-3-8(23-7(6)4-22-24(20)2
    1)17-11-9(15-12(17)19)10-
    13-1-2-16(10)5-14-11/h1-2
    ,5-8,18,20-21H,3-4H2,(H,1
    5,19)/t6-,7+,8+/m0/s1;
    RDYCXWJDONFONO-XLPZGREQSA-N    		 O[CH]1C[CH](O[CH]1COP(O)O)N2C(=O)Nc3c4nc
    cn4cnc23; c1cn2cnc3c(c2n1)NC(=O)N3[C@H]4
    C[C@@H]([C@H](O4)COP(O)O)O; c1cn2cnc3c(c
    2n1)NC(=O)N3C4CC(C(O4)COP(O)O)O; O[C@H]1
    C[C@@H](O[C@@H]1COP(O)O)N2C(=O)Nc3c4nccn
    4cnc23    		 [(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-1~{H}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite;
    7,8-dihydro-8-oxo-1,N6-ethenoadenine
    39060 U7U 3 C10 H18 Mn Mo6 O24 InChI=1S/2C5H9O3.Mn.6Mo.1
    8O/c2*1-5(2-6,3-7)4-8;;;;
    ;;;;;;;;;;;;;;;;;;;;;/h2*
    2-4H2,1H3;;;;;;;;;;;;;;;;
    ;;;;;;;;;/q2*+6;;;;;;;;;;
    ;;;;12*-1;
    MAWUAWMKVXEIFO-UHFFFAOYSA-N    		 CC12C[O+2]34[Mn]5678[O+2]9(C1)[Mo]1%10([
    O+2]55[Mo]3(O1)(O[Mo]41([O+2]63CC(C5)(C[
    O+2]74[Mo]9(O%10)(O[Mo]44([O+2]8(C2)[Mo]
    3(O1)(O4)([O-])[O-])([O-])[O-])([O-])[O-
    ])C)([O-])[O-])([O-])[O-])([O-])[O-]; CC
    12C[O++]34[Mn]5678[O++]9(C1)[Mo]%10%11([
    O-])([O-])O[Mo]3%12([O-])([O-])O[Mo]4%13
    ([O-])([O-])O[Mo]%14%15([O-])([O-])O[Mo]
    %16([O-])([O-])(O[Mo]9([O-])([O-])(O%10)
    [O++]5%16CC(C)(C[O++]6%11%12)C[O++]7%13%
    14)[O++]8%15C2    		 Mn-Mo(6)-O(24)-C(10) cluster;
    methyl-functionalised Anderson-Evans polyoxometalate
    39061 U7V
    CHEMBL1257051
    DB14569
    ZINC000043100956    		 0 C17 H15 F N6 O3 InChI=1S/C17H15FN6O3/c1-2
    3-21-16(20-22-23)15-5-2-1
    0(7-19-15)13-4-3-11(6-14(
    13)18)24-8-12(9-25)27-17(
    24)26/h2-7,12,25H,8-9H2,1
    H3/t12-/m1/s1;
    XFALPSLJIHVRKE-GFCCVEGCSA-N    		 Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4CC(OC4=
    O)CO; Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3F)N4C
    [C@H](CO)OC4=O; c2cc(c1nn(C)nn1)ncc2c3c(
    F)cc(cc3)N4CC(OC4=O)CO; Cn1nnc(n1)c2ccc(
    cn2)c3ccc(cc3F)N4C[CH](CO)OC4=O; Cn1nc(n
    n1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)
    CO    		 Tedizolid;
    torezolid;
    Sivextro, TR-700
    39062 U7W
    ZINC000054748646    		 1 C16 H16 N4 O S InChI=1S/C16H16N4OS/c1-11
    -12-7-9-22-15(12)6-8-19(1
    1)16(21)10-20-14-5-3-2-4-
    13(14)17-18-20/h2-5,7,9,1
    1H,6,8,10H2,1H3/t11-/m0/s
    1;
    IIZZXFYIZNJNIS-NSHDSACASA-N    		 C[C@@H]1N(CCc2sccc12)C(=O)Cn3nnc4ccccc34
    ; C[CH]1N(CCc2sccc12)C(=O)Cn3nnc4ccccc34
    ; C[C@H]1c2ccsc2CCN1C(=O)Cn3c4ccccc4nn3;
    CC1c2ccsc2CCN1C(=O)Cn3c4ccccc4nn3    		 2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone
    39063 U7X 1 C24 H19 F2 N5 O2 InChI=1S/C24H19F2N5O2/c1-
    30-12-15-10-14(4-9-19(15)
    29-30)18-11-20-22(21(28-2
    7-20)13-2-3-13)31(23(18)3
    2)16-5-7-17(8-6-16)33-24(
    25)26/h4-13,24H,2-3H2,1H3
    ,(H,27,28);
    QEASMQZYZCGOSA-UHFFFAOYSA-N    		 Cn1cc2cc(ccc2n1)C3=Cc4n[nH]c(C5CC5)c4N(C
    3=O)c6ccc(OC(F)F)cc6; Cn1cc2cc(ccc2n1)C3
    =Cc4c(c([nH]n4)C5CC5)N(C3=O)c6ccc(cc6)OC
    (F)F    		 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one
    39064 U7Y 0 C17 H15 F N6 O3 InChI=1S/C17H15FN6O3/c1-2
    3-16(20-21-22-23)15-5-2-1
    0(7-19-15)13-4-3-11(6-14(
    13)18)24-8-12(9-25)27-17(
    24)26/h2-7,12,25H,8-9H2,1
    H3/t12-/m1/s1;
    WFAZKGCKGCUHAN-GFCCVEGCSA-N    		 c4(c1ncc(cc1)c2c(cc(cc2)N3C(=O)OC(C3)CO)
    F)n(C)nnn4; Cn1nnnc1c2ccc(cn2)c3ccc(cc3F
    )N4C[CH](CO)OC4=O; Cn1nnnc1c2ccc(cn2)c3c
    cc(cc3F)N4C[C@H](CO)OC4=O; Cn1c(nnn1)c2c
    cc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO; Cn
    1c(nnn1)c2ccc(cn2)c3ccc(cc3F)N4CC(OC4=O)
    CO    		 Tedizolid isomer;
    (5R)-3-{3-fluoro-4-[6-(1-methyl-1H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one
    39065 U7Z
    CHEMBL4632436    		 1 C18 H18 Cl N3 O4 S InChI=1S/C18H18ClN3O4S/c1
    9-16-4-2-1-3-15(16)18(24)
    22-11-9-21(10-12-22)17(23
    )13-5-7-14(8-6-13)27(20,2
    5)26/h1-8H,9-12H2,(H2,20,
    25,26);
    ZWAGEDFCAJXKDS-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=
    O)c3ccccc3Cl; c1ccc(c(c1)C(=O)N2CCN(CC2)
    C(=O)c3ccc(cc3)S(=O)(=O)N)Cl    		 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide;
    4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative
    39066 U81
    CHEMBL4297370
    DB12262
    ZINC000043173277    		 1 C19 H19 Br2 N3 O2 S InChI=1S/C19H19Br2N3O2S/c
    20-11-8-12-14(2-6-26-18(1
    2)13(21)9-11)22-4-1-5-23-
    17-10-16(25)19-15(24-17)3
    -7-27-19/h3,7-10,14,22H,1
    -2,4-6H2,(H2,23,24,25)/t1
    4-/m1/s1;
    NNTYBKTXMKBRFA-CQSZACIVSA-N    		 c1csc2c1NC(=CC2=O)NCCCN[C@@H]3CCOc4c3cc(
    cc4Br)Br; Brc1cc(Br)c2OCC[C@@H](NCCCNC3=
    CC(=O)c4sccc4N3)c2c1; c1csc2c1NC(=CC2=O)
    NCCCNC3CCOc4c3cc(cc4Br)Br; Brc1cc(Br)c2O
    CC[CH](NCCCNC3=CC(=O)c4sccc4N3)c2c1; c1(
    Br)cc(Br)cc2c1OCCC2NCCCNC3=CC(c4c(N3)ccs
    4)=O    		 5-[(3-{[(4R)-6,8-dibromo-3,4-dihydro-2H-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(6H)-one
    39067 U82
    CHEMBL4777288    		 1 C20 H19 N3 O InChI=1S/C20H19N3O/c1-20(
    2,3)15-6-4-13(5-7-15)16-1
    2-24-18-9-8-17(23-19(16)1
    8)14-10-21-22-11-14/h4-12
    H,1-3H3,(H,21,22);
    OOLXXVMFVSTNLJ-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(cc1)c2coc3c2nc(cc3)c4c[nH]
    nc4; CC(C)(C)c1ccc(cc1)c2coc3ccc(nc23)c4
    c[nH]nc4    		 3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine;
    3-(4-~{tert}-butylphenyl)-5-(1~{H}-pyrazol-4-yl)furo[3,2-b]pyridine
    39068 U83 1 C37 H44 Cl N O8 S InChI=1S/C37H44ClNO8S/c1-
    44-30-17-15-24(21-31(30)4
    5-2)14-16-29(26-11-8-12-2
    7(22-26)46-23-34(40)41)47
    -37(43)28-13-6-7-20-39(28
    )36(42)35(25-9-4-3-5-10-2
    5)32-18-19-33(38)48-32/h8
    ,11-12,15,17-19,21-22,25,
    28-29,35H,3-7,9-10,13-14,
    16,20,23H2,1-2H3,(H,40,41
    )/t28-,29+,35+/m0/s1;
    GTUUVVDLKBPWFG-JVLQLMMJSA-N    		 COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O
    )OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](c4ccc(s4
    )Cl)C5CCCCC5; COc1ccc(CC[CH](OC(=O)[CH]2
    CCCCN2C(=O)[CH](C3CCCCC3)c4sc(Cl)cc4)c5c
    ccc(OCC(O)=O)c5)cc1OC; COc1ccc(cc1OC)CCC
    (c2cccc(c2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C
    (c4ccc(s4)Cl)C5CCCCC5; COc1ccc(CC[C@@H](
    OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C3CCCCC3)c
    4sc(Cl)cc4)c5cccc(OCC(O)=O)c5)cc1OC    		 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-cyclohexyl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid
    39069 U85
    CHEMBL1963130
    ZINC000102947691    		 2 C26 H26 N7 InChI=1S/C26H26N7/c1-31(2
    )23-11-13-32(14-12-23)15-
    19-3-7-21(8-4-19)22-9-5-2
    0(6-10-22)16-33-18-30-25(
    27)24-26(33)29-17-28-24/h
    3-14,17-18H,15-16,27H2,1-
    2H3/q+1;
    YZNBHTPOBJOYMF-UHFFFAOYSA-N    		 CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccc(cc3)C
    n4cnc(c-5ncnc45)N; N1=C2C(N=C1)=C(N=CN2C
    c5ccc(c3ccc(cc3)C[n+]4ccc(N(C)C)cc4)cc5)
    N; CN(C)c1cc[n+](Cc2ccc(cc2)c3ccc(Cn4cnc
    (N)c5ncnc45)cc3)cc1    		 1-((4'-((6-amino-3H-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium
    39070 U86 2 C20 H20 N4 O2 InChI=1S/C20H20N4O2/c1-2-
    17-16(18(21)24-20(22)23-1
    7)10-12-6-8-13(9-7-12)14-
    4-3-5-15(11-14)19(25)26/h
    3-9,11H,2,10H2,1H3,(H,25,
    26)(H4,21,22,23,24);
    SVZPEOABUWMNSO-UHFFFAOYSA-N    		 CCc1nc(N)nc(N)c1Cc2ccc(cc2)c3cccc(c3)C(O
    )=O; CCc1c(c(nc(n1)N)N)Cc2ccc(cc2)c3cccc
    (c3)C(=O)O    		 3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid
    39071 U87 1 C26 H34 Cl2 N8 O5 InChI=1S/C26H34Cl2N8O5/c2
    7-16-4-3-14-13(8-31-9-15(
    14)19(16)28)2-1-6-35(7-5-
    17(29)26(39)40)10-18-21(3
    7)22(38)25(41-18)36-12-34
    -20-23(30)32-11-33-24(20)
    36/h3-4,11-13,17-18,21-22
    ,25,31,37-38H,1-2,5-10,29
    H2,(H,39,40)(H2,30,32,33)
    /t13-,17-,18+,21+,22+,25+
    /m0/s1;
    LJUSEDZPCVZRMF-RYHYOYCJSA-N    		 c1cc(c(c2c1C(CNC2)CCCN(CCC(C(=O)O)N)CC3C
    (C(C(O3)n4cnc5c4ncnc5N)O)O)Cl)Cl; N[CH](
    CCN(CCC[CH]1CNCc2c(Cl)c(Cl)ccc12)C[CH]3O
    [CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C(O)
    =O; C(=O)(O)C(N)CCN(CCCC1c2c(CNC1)c(c(cc
    2)Cl)Cl)CC3C(C(C(O3)n5c4ncnc(c4nc5)N)O)O
    ; c1cc(c(c2c1[C@H](CNC2)CCCN(CC[C@@H](C(
    =O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4ncnc5N)O)O)Cl)Cl; N[C@@H](CCN(CCC[C
    @H]1CNCc2c(Cl)c(Cl)ccc12)C[C@H]3O[C@H]([
    C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)C(O)=O    		 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine
    39072 U88
    CHEMBL4065457
    ZINC000012471766    		 11 C3 H2 N2 O2 S InChI=1S/C3H2N2O2S/c6-5(7
    )3-1-4-2-8-3/h1-2H;
    VVVCJCRUFSIVHI-UHFFFAOYSA-N    		 c1c(scn1)N(=O)=O; O=[N](=O)c1scnc1 5-nitro-1,3-thiazole;
    halicin
    39073 U89
    ZINC000040331395    		 2 C27 H38 N7 O12 P S InChI=1S/C27H38N7O12PS/c2
    8-23-18(25(40)33-27(29)32
    -23)4-3-12-34(21(36)15-48
    -14-20(35)30-11-1-2-13-46
    -47(43,44)45)17-7-5-16(6-
    8-17)24(39)31-19(26(41)42
    )9-10-22(37)38/h5-8,19H,1
    -4,9-15H2,(H,30,35)(H,31,
    39)(H,37,38)(H,41,42)(H2,
    43,44,45)(H5,28,29,32,33,
    40)/t19-/m0/s1;
    WIBNWPBCQGWSJV-IBGZPJMESA-N    		 c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N(CCCC2
    =C(N=C(NC2=O)N)N)C(=O)CSCC(=O)NCCCCOP(=O
    )(O)O; NC1=NC(=C(CCCN(C(=O)CSCC(=O)NCCCC
    O[P](O)(O)=O)c2ccc(cc2)C(=O)N[C@@H](CCC(
    O)=O)C(O)=O)C(=O)N1)N; c1cc(ccc1C(=O)N[C
    @@H](CCC(=O)O)C(=O)O)N(CCCC2=C(N=C(NC2=O
    )N)N)C(=O)CSCC(=O)NCCCCOP(=O)(O)O; O=C1C
    (=C(N=C(N)N1)N)CCCN(c2ccc(C(=O)NC(C(=O)O
    )CCC(=O)O)cc2)C(=O)CSCC(=O)NCCCCOP(=O)(O
    )O; NC1=NC(=C(CCCN(C(=O)CSCC(=O)NCCCCO[P
    ](O)(O)=O)c2ccc(cc2)C(=O)N[CH](CCC(O)=O)
    C(O)=O)C(=O)N1)N    		 N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-6-OXO-4-PYRIMIDINYL)-PROPYL]-[2-((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)-AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]-1-GLUTAMIC ACID
    39074 U8B 6 C22 H29 N5 O9 S2 InChI=1S/C22H29N5O9S2/c23
    -13(18(33)34)6-7-15(29)25
    -14(17(32)24-9-16(30)31)1
    0-38-22(8-12-4-2-1-3-5-12
    )20(36)26-21(37,11-28)19(
    35)27-22/h1-5,13-14,28,37
    H,6-11,23H2,(H,24,32)(H,2
    5,29)(H,26,36)(H,27,35)(H
    ,30,31)(H,33,34)/t13-,14-
    ,21+,22+/m0/s1;
    BVLPJUGYSWKCGB-HCIHMXRSSA-N    		 c1ccc(cc1)C[C@]2(C(=O)N[C@](C(=O)N2)(CO)
    S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](
    C(=O)O)N; N[CH](CCC(=O)N[CH](CS[C]1(Cc2c
    cccc2)NC(=O)[C](S)(CO)NC1=O)C(=O)NCC(O)=
    O)C(O)=O; c1ccc(cc1)CC2(C(=O)NC(C(=O)N2)
    (CO)S)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O
    )N; N[C@@H](CCC(=O)N[C@@H](CS[C@@]1(Cc2c
    cccc2)NC(=O)[C@](S)(CO)NC1=O)C(=O)NCC(O)
    =O)C(O)=O    		 (2~{S})-2-azanyl-5-[[(2~{R})-3-[(2~{R},5~{R})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
    39075 U8C 1 C37 H45 N O8 S InChI=1S/C37H45NO8S/c1-43
    -31-19-17-25(22-32(31)44-
    2)16-18-30(27-12-8-13-28(
    23-27)45-24-34(39)40)46-3
    7(42)29-14-6-7-20-38(29)3
    6(41)35(33-15-9-21-47-33)
    26-10-4-3-5-11-26/h8-9,12
    -13,15,17,19,21-23,26,29-
    30,35H,3-7,10-11,14,16,18
    ,20,24H2,1-2H3,(H,39,40)/
    t29-,30+,35+/m0/s1;
    YHWSKQSORLKYDT-CMKKOEAFSA-N    		 COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O
    )OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](c4cccs4)
    C5CCCCC5; COc1ccc(CC[CH](OC(=O)[CH]2CCCC
    N2C(=O)[CH](C3CCCCC3)c4sccc4)c5cccc(OCC(
    O)=O)c5)cc1OC; COc1ccc(CC[C@@H](OC(=O)[C
    @@H]2CCCCN2C(=O)[C@H](C3CCCCC3)c4sccc4)c
    5cccc(OCC(O)=O)c5)cc1OC; COc1ccc(cc1OC)C
    CC(c2cccc(c2)OCC(=O)O)OC(=O)C3CCCCN3C(=O
    )C(c4cccs4)C5CCCCC5    		 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-thiophen-2-yl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid
    39076 U8D
    CHEMBL146186
    ZINC000001543374    		 4 C22 H27 N2 O5 P InChI=1S/C22H27N2O5P/c1-2
    -20-19(14-22(23)25)18-13-
    17(29-11-6-12-30(26,27)28
    )9-10-21(18)24(20)15-16-7
    -4-3-5-8-16/h3-5,7-10,13H
    ,2,6,11-12,14-15H2,1H3,(H
    2,23,25)(H2,26,27,28);
    OPWQYOUZRHDKBR-UHFFFAOYSA-N    		 CCc1n(Cc2ccccc2)c3ccc(OCCC[P](O)(O)=O)cc
    3c1CC(N)=O; CCc1c(c2cc(ccc2n1Cc3ccccc3)O
    CCCP(=O)(O)O)CC(=O)N; O=P(O)(O)CCCOc1cc2
    c(cc1)n(c(c2CC(=O)N)CC)Cc3ccccc3    		 (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid
    39077 U8E 1 C23 H19 F2 N3 O3 InChI=1S/C23H19F2N3O3/c1-
    30-16-8-4-13(5-9-16)18-12
    -19-21(20(27-26-19)14-2-3
    -14)28(22(18)29)15-6-10-1
    7(11-7-15)31-23(24)25/h4-
    12,14,23H,2-3H2,1H3,(H,26
    ,27);
    JTWWXAUUAZCEKL-UHFFFAOYSA-N    		 COc1ccc(cc1)C2=Cc3n[nH]c(C4CC4)c3N(C2=O)
    c5ccc(OC(F)F)cc5; COc1ccc(cc1)C2=Cc3c(c(
    [nH]n3)C4CC4)N(C2=O)c5ccc(cc5)OC(F)F    		 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one
    39078 U8G 0 C14 H23 N3 O4 Rh InChI=1S/C14H23N3O4.Rh/c1
    -14(2,3)21-13(19)15-11(12
    (18)20-6)7-10-8-16(4)9-17
    (10)5;/h8,11H,7H2,1-6H3,(
    H,15,19);;
    UQXOBHGZUZGMJH-UHFFFAOYSA-N    		 c1([Rh])n(C)c(c[n+]1C)CC(C(OC)=O)NC(OC(C
    )(C)C)=O; CC(C)(C)OC(=O)NC(CC1=C[N](=C(N
    1C)[Rh])C)C(=O)OC; COC(=O)C(Cc1c[n](C)c(
    [Rh])n1C)NC(=O)OC(C)(C)C    		 (4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)rhodium
    39079 U8H 1 C11 H11 N3 O S2 InChI=1S/C11H11N3OS2/c1-1
    5-8-4-2-7(3-5-8)6-9-10(16
    )12-11(17)14-13-9/h2-5H,6
    H2,1H3,(H2,12,14,16,17);
    DLNZPTRAPJQNLR-UHFFFAOYSA-N    		 COc1ccc(cc1)CC1=NNC(=S)NC1=S; COc1ccc(CC
    2=NNC(=S)NC2=S)cc1; COc1ccc(cc1)CC2=NNC(
    =S)NC2=S    		 6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione
    39080 U8I 2 C20 H20 N4 O2 InChI=1S/C20H20N4O2/c1-2-
    17-16(18(21)24-20(22)23-1
    7)11-12-4-3-5-15(10-12)13
    -6-8-14(9-7-13)19(25)26/h
    3-10H,2,11H2,1H3,(H,25,26
    )(H4,21,22,23,24);
    HYEFEHCIXMVHSP-UHFFFAOYSA-N    		 CCc1c(c(nc(n1)N)N)Cc2cccc(c2)c3ccc(cc3)C
    (=O)O; CCc1nc(N)nc(N)c1Cc2cccc(c2)c3ccc(
    cc3)C(O)=O    		 4-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid
    39081 U8J 1 C20 H21 N7 O InChI=1S/C20H21N7O/c1-3-1
    0-27-12-14(11-23-27)17-16
    -8-9-22-18(16)26-20(25-17
    )24-15-6-4-13(5-7-15)19(2
    8)21-2/h4-9,11-12H,3,10H2
    ,1-2H3,(H,21,28)(H2,22,24
    ,25,26);
    FLBLXKNWKAGVEB-UHFFFAOYSA-N    		 c1(ccc(C(=O)NC)cc1)Nc2nc(c3c(n2)ncc3)c4c
    n(CCC)nc4; CCCn1cc(cn1)c2nc(Nc3ccc(cc3)C
    (=O)NC)nc4[nH]ccc24; CCCn1cc(cn1)c2c3cc[
    nH]c3nc(n2)Nc4ccc(cc4)C(=O)NC    		 N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide
    39082 U8K 1 C12 H10 N2 O4 S InChI=1S/C12H10N2O4S/c15-
    12(16)11-10(7-4-8-13-11)1
    4-19(17,18)9-5-2-1-3-6-9/
    h1-8,14H,(H,15,16);
    HOBWUTFQJLTDSS-UHFFFAOYSA-N    		 OC(=O)c1ncccc1N[S](=O)(=O)c2ccccc2; c1cc
    c(cc1)S(=O)(=O)Nc2cccnc2C(=O)O    		 3-(phenylsulfonylamino)pyridine-2-carboxylic acid
    39083 U8L 1 C30 H23 N O5 InChI=1S/C30H23NO5/c1-17-
    15-25(36-2)18-9-5-3-4-6-1
    2-22(26(17)21(18)16-32)31
    -23-13-14-24(33)28-27(23)
    29(34)19-10-7-8-11-20(19)
    30(28)35/h7-8,10-11,13-16
    ,18,21-22,31,33H,3-4H2,1-
    2H3/t18-,21-,22-/m0/s1;
    NLNOIBOHBHXKKN-NYVOZVTQSA-N    		 CC1=C2[C@H](C#CCCC#C[C@@H]([C@@H]2C=O)C(
    =C1)OC)Nc3ccc(c4c3C(=O)c5ccccc5C4=O)O; C
    OC1=CC(=C2[CH](Nc3ccc(O)c4C(=O)c5ccccc5C
    (=O)c34)C#CCCC#C[CH]1[CH]2C=O)C; COC1=CC
    (=C2[C@@H](Nc3ccc(O)c4C(=O)c5ccccc5C(=O)
    c34)C#CCCC#C[C@H]1[C@@H]2C=O)C; CC1=C2C(
    C#CCCC#CC(C2C=O)C(=C1)OC)Nc3ccc(c4c3C(=O
    )c5ccccc5C4=O)O; Oc1ccc(NC2C#CCCC#CC3C(=
    CC(C)=C2C3C=O)OC)c2c1C(=O)c1ccccc1C2=O    		 (1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde
    39084 U8M 0 C11 H9 F2 N5 InChI=1S/C11H9F2N5/c12-6-
    2-1-3-7(10(6)13)17-18-8-4
    -5-9(14)16-11(8)15/h1-5H,
    (H4,14,15,16);
    KBEPGXDKUHLALK-UHFFFAOYSA-N    		 c1cc(c(c(c1)F)F)N=Nc2ccc(nc2N)N; Nc1ccc(
    N=Nc2cccc(F)c2F)c(N)n1; n1c(ccc(c1N)/N=N
    \c2cccc(F)c2F)N    		 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine
    39085 U8N
    ZINC000100038324    		 1 C9 H7 N O2 InChI=1S/C9H7NO2/c11-8-5-
    10-9(12)7-4-2-1-3-6(7)8/h
    1-5,11H,(H,10,12);
    KOJRWXLHYKLCFJ-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=CNC2=O)O; OC1=CNC(=O)c2ccc
    cc12    		 4-oxidanyl-2~{H}-isoquinolin-1-one
    39086 U8O 2 C6 H5 N3 S InChI=1S/C6H5N3S/c7-5-4-2
    -1-3-8-6(4)10-9-5/h1-3H,(
    H2,7,9);
    NVOYVQKFZVOHPB-UHFFFAOYSA-N    		 Nc1nsc2ncccc12; c1cc2c(nsc2nc1)N [1,2]thiazolo[5,4-b]pyridin-3-amine
    39087 U8P 1 C27 H30 N8 O4 S InChI=1S/C27H30N8O4S/c1-5
    -40(37,38)34-16-27(17-34,
    11-12-28)35-15-19(14-30-3
    5)22-21-10-13-29-23(21)33
    -25(32-22)31-20-8-6-18(7-
    9-20)24(36)39-26(2,3)4/h6
    -10,13-15H,5,11,16-17H2,1
    -4H3,(H2,29,31,32,33);
    XPNMPGAYHLKXMY-UHFFFAOYSA-N    		 CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc
    [nH]c4nc(n3)Nc5ccc(cc5)C(=O)OC(C)(C)C; c
    4c(c2nc(Nc1ccc(C(=O)OC(C)(C)C)cc1)nc3ncc
    c23)cnn4C5(CN(C5)S(CC)(=O)=O)CC#N; CC[S]
    (=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3nc(Nc4c
    cc(cc4)C(=O)OC(C)(C)C)nc5[nH]ccc35    		 tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate
    39088 U8Q
    CHEMBL2262191
    ZINC000002579331    		 18 C12 H14 F3 N O InChI=1S/C12H14F3NO/c13-1
    2(14,15)9-1-3-10(4-2-9)17
    -11-5-7-16-8-6-11/h1-4,11
    ,16H,5-8H2;
    HRYZQEDCGWRROX-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(OC2CCNCC2)cc1; c1cc(ccc1C(
    F)(F)F)OC2CCNCC2    		 4-[4-(trifluoromethyl)phenoxy]piperidine
    39089 U8R 1 C16 H13 F2 N3 O2 InChI=1S/C16H13F2N3O2/c17
    -16(18)23-11-5-3-10(4-6-1
    1)21-13(22)8-7-12-15(21)1
    4(20-19-12)9-1-2-9/h3-9,1
    6H,1-2H2,(H,19,20);
    DBMHKPKFMPEIGT-UHFFFAOYSA-N    		 c1cc(ccc1N2c3c(n[nH]c3C4CC4)C=CC2=O)OC(F
    )F; FC(F)Oc1ccc(cc1)N2C(=O)C=Cc3n[nH]c(C
    4CC4)c23    		 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one
    39090 U8S 0 C6 H11 N3 O3 InChI=1S/C6H11N3O3/c7-4(5
    (10)11)1-3-2-8-6(12)9-3/h
    2,4,6,8-9,12H,1,7H2,(H,10
    ,11)/t4-,6-/m0/s1;
    ISUKCUVQJCXRKC-NJGYIYPDSA-N    		 N[C@@H](CC1=CN[C@H](O)N1)C(O)=O; C1=C(N[
    C@H](N1)O)C[C@@H](C(=O)O)N; C1=C(NC(N1)O
    )CC(C(=O)O)N; NC(CC1=CNC(O)N1)C(=O)O; N[
    CH](CC1=CN[CH](O)N1)C(O)=O    		 3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine
    39091 U8T
    ZINC000002563899    		 14 C13 H14 Br N O2 InChI=1S/C13H14BrNO2/c14-
    9-1-2-12-10(7-9)11(16)8-1
    3(17-12)3-5-15-6-4-13/h1-
    2,7,15H,3-6,8H2;
    HTOKNOIQHUEHNB-UHFFFAOYSA-N    		 c1cc2c(cc1Br)C(=O)CC3(O2)CCNCC3; Brc1ccc
    2OC3(CCNCC3)CC(=O)c2c1    		 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one
    39092 U8U 0 C11 H18 N3 O8 P S InChI=1S/C11H18N3O8PS/c1-
    12-2-5-3-14(11(24)13-9(5)
    17)10-8(16)7(15)6(22-10)4
    -21-23(18,19)20/h3,6-8,10
    ,12,15-16H,2,4H2,1H3,(H,1
    3,17,24)(H2,18,19,20)/t6-
    ,7-,8-,10-/m1/s1;
    LVNQROXSHGRCLA-FDDDBJFASA-N    		 CNCC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H](
    [C@H](O2)COP(=O)(O)O)O)O; CNCC1=CN([CH]2
    O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=S)N
    C1=O; CNCC1=CN([C@@H]2O[C@H](CO[P](O)(O)
    =O)[C@@H](O)[C@H]2O)C(=S)NC1=O; O=C1NC(=
    S)N(C=C1CNC)C2OC(C(O)C2O)COP(=O)(O)O; CN
    CC1=CN(C(=S)NC1=O)C2C(C(C(O2)COP(=O)(O)O
    )O)O    		 5-METHYLAMINOMETHYL-2-THIOURIDINE-5'-MONOPHOSPHATE
    39093 U8V 3 C10 H18 O7 InChI=1S/C10H18O7/c1-2-3-
    6(11)16-4-5-7(12)8(13)9(1
    4)10(15)17-5/h5,7-10,12-1
    5H,2-4H2,1H3/t5-,7-,8+,9-
    ,10+/m1/s1;
    ZRXPGZBHTLDSIT-HOQQJHGQSA-N    		 CCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH
    ]1O; CCCC(=O)OCC1C(C(C(C(O1)O)O)O)O; CCC
    C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O
    1)O)O)O)O; OC1C(C(O)C(O)C(COC(=O)CCC)O1)
    O; CCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@
    H](O)[C@@H]1O    		 6-O-butanoyl-alpha-D-glucopyranose
    39094 U8W 2 C6 H15 O11 P S InChI=1S/C6H15O11PS/c7-3(
    1-17-18(11,12)13)5(9)6(10
    )4(8)2-19(14,15)16/h3-10H
    ,1-2H2,(H2,11,12,13)(H,14
    ,15,16)/t3-,4+,5+,6+/m0/s
    1;
    VHZSENSKSCIIQU-SLPGGIOYSA-N    		 O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O
    )C[S](O)(=O)=O; C([C@H]([C@H]([C@@H](C(C
    OP(=O)(O)O)O)O)O)O)S(=O)(=O)O; O[C@@H](C
    O[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)C[
    S](O)(=O)=O; C(C(C(C(C(CS(=O)(=O)O)O)O)O
    )O)OP(=O)(O)O    		 (2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid
    39095 U8X 1 C11 H11 N3 O2 InChI=1S/C11H11N3O2/c15-1
    0-4-2-9(3-5-10)13-11(16)8
    -14-7-1-6-12-14/h1-7,15H,
    8H2,(H,13,16);
    BSUVSWPKCMWXTE-UHFFFAOYSA-N    		 c1cnn(c1)CC(=O)Nc2ccc(cc2)O; Oc1ccc(NC(=
    O)Cn2cccn2)cc1    		 ~{N}-(4-hydroxyphenyl)-2-pyrazol-1-yl-ethanamide
    39096 U8Y 2 C20 H20 N4 O2 InChI=1S/C20H20N4O2/c1-2-
    17-16(18(21)24-20(22)23-1
    7)10-12-5-3-6-13(9-12)14-
    7-4-8-15(11-14)19(25)26/h
    3-9,11H,2,10H2,1H3,(H,25,
    26)(H4,21,22,23,24);
    KNRZVDGLNIKBGJ-UHFFFAOYSA-N    		 CCc1nc(N)nc(N)c1Cc2cccc(c2)c3cccc(c3)C(O
    )=O; CCc1c(c(nc(n1)N)N)Cc2cccc(c2)c3cccc
    (c3)C(=O)O    		 3-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid
    39097 U8Z 2 C3 H7 O6 P InChI=1S/C3H7O6P/c4-1-3(5
    )2-9-10(6,7)8/h2,4-5H,1H2
    ,(H2,6,7,8)/b3-2+;
    MCQBMKDEIFHCJL-NSCUHMNNSA-N    		 OC\C(O)=C/O[P](O)(O)=O; C(C(=COP(=O)(O)O
    )O)O; C(/C(=C\OP(=O)(O)O)/O)O; OCC(O)=CO
    [P](O)(O)=O    		 [(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate
    39098 U90 4 C7 H14 O6 InChI=1S/C7H14O6/c1-12-6-
    4(9)3(2-8)13-7(11)5(6)10/
    h3-11H,2H2,1H3/t3-,4-,5+,
    6+,7+/m1/s1;
    SCBBSJMAPKXHAH-VEIUFWFVSA-N    		 OC1C(OC)C(O)C(CO)OC1O; COC1C(C(OC(C1O)O)
    CO)O; CO[C@H]1[C@@H]([C@H](O[C@@H]([C@H]
    1O)O)CO)O; CO[C@@H]1[C@H](O)[C@@H](O)O[C
    @H](CO)[C@H]1O; CO[CH]1[CH](O)[CH](O)O[C
    H](CO)[CH]1O    		 3-O-methyl-alpha-D-mannopyranose
    39099 U91
    CHEMBL4088968
    ZINC000584905716    		 1 C18 H13 F4 N3 O2 InChI=1S/C18H13F4N3O2/c1-
    8-10(18(27)24-25(8)2)17(2
    6)23-16-14(21)12(19)11(13
    (20)15(16)22)9-6-4-3-5-7-
    9/h3-7H,1-2H3,(H,23,26)(H
    ,24,27);
    YELPXAASZKFOBT-UHFFFAOYSA-N    		 Cc1c(c(nn1C)O)C(=O)Nc2c(c(c(c(c2F)F)c3cc
    ccc3)F)F; Cn1nc(O)c(c1C)C(=O)Nc2c(F)c(F)
    c(c(F)c2F)c3ccccc3    		 1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide
    39100 U93 2 C17 H30 N4 O12 P2 InChI=1S/C17H30N4O12P2/c1
    -10-15(23)14(11(6-20-10)8
    -32-34(26,27)28)16(19-5-3
    -2-4-12(18)7-22)21-13(17(
    24)25)9-33-35(29,30)31/h6
    -7,12-13,16,19,21,23H,2-5
    ,8-9,18H2,1H3,(H,24,25)(H
    2,26,27,28)(H2,29,30,31)/
    t12-,13-,16+/m0/s1;
    DIDMOBOUHGSDIF-HEHGZKQESA-N    		 Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)
    C=O)N[CH](CO[P](O)(O)=O)C(O)=O)c1O; Cc1c
    (c(c(cn1)COP(=O)(O)O)C(NCCCCC(C=O)N)NC(C
    OP(=O)(O)O)C(=O)O)O; Cc1c(c(c(cn1)COP(=O
    )(O)O)[C@H](NCCCC[C@@H](C=O)N)N[C@@H](CO
    P(=O)(O)O)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O
    )c([C@H](NCCCC[C@H](N)C=O)N[C@@H](CO[P](
    O)(O)=O)C(O)=O)c1O    		 (2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid
    39101 U94
    CHEMBL1738913
    ZINC000066166106    		 10 C20 H21 Cl2 N O6 InChI=1S/C20H21Cl2NO6/c1-
    29-10-17(24)23-16(18(25)1
    9(26)20(27)28)6-11-2-4-12
    (5-3-11)13-7-14(21)9-15(2
    2)8-13/h2-5,7-9,16,18-19,
    25-26H,6,10H2,1H3,(H,23,2
    4)(H,27,28)/t16-,18-,19+/
    m0/s1;
    NTCBTNCWNRCBGX-YTQUADARSA-N    		 Clc2cc(c1ccc(cc1)CC(NC(=O)COC)C(O)C(O)C(
    =O)O)cc(Cl)c2; COCC(=O)NC(Cc1ccc(cc1)c2c
    c(cc(c2)Cl)Cl)C(C(C(=O)O)O)O; COCC(=O)N[
    C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H]
    ([C@H](C(=O)O)O)O; COCC(=O)N[CH](Cc1ccc(
    cc1)c2cc(Cl)cc(Cl)c2)[CH](O)[CH](O)C(O)=
    O; COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(Cl)cc
    (Cl)c2)[C@H](O)[C@@H](O)C(O)=O    		 4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-L-arabinonic acid
    39102 U95
    CHEMBL5178739    		 1 C22 H14 Cl F3 N2 O4 InChI=1S/C22H14ClF3N2O4/c
    23-16-4-1-3-15(22(24,25)2
    6)18(16)19-14(20(32-28-19
    )17-5-2-10-27-17)11-31-13
    -8-6-12(7-9-13)21(29)30/h
    1-10,27H,11H2,(H,29,30);
    RSKUYRRDRPIYIT-UHFFFAOYSA-N    		 OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F
    )F)c4[nH]ccc4)cc1; c1cc(c(c(c1)Cl)c2c(c(
    on2)c3ccc[nH]3)COc4ccc(cc4)C(=O)O)C(F)(F
    )F    		 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
    39103 U96 1 C23 H20 N6 O InChI=1S/C23H20N6O/c1-13-
    3-7-17(11-24-13)29-22-20(
    25-26-21(22)14-4-5-14)10-
    18(23(29)30)15-6-8-19-16(
    9-15)12-28(2)27-19/h3,6-1
    2,14H,4-5H2,1-2H3,(H,25,2
    6);
    FXFWSZOXZYQPQZ-UHFFFAOYSA-N    		 Cc1ccc(cn1)N2c3c(n[nH]c3C4CC4)C=C(C2=O)c
    5ccc6c(c5)cn(n6)C; Cn1cc2cc(ccc2n1)C3=Cc
    4n[nH]c(C5CC5)c4N(C3=O)c6ccc(C)nc6    		 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one
    39104 U97 6 C6 H10 O10 S InChI=1S/C6H10O10S/c7-1-2
    (8)4(16-17(12,13)14)6(11)
    15-3(1)5(9)10/h1-4,6-8,11
    H,(H,9,10)(H,12,13,14)/t1
    -,2+,3+,4-,6-/m0/s1;
    COJBCAMFZDFGFK-BKBMJHBISA-N    		 C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O; O[
    C@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O[S
    ](O)(=O)=O)C(O)=O; O[CH]1O[CH]([CH](O)[C
    H](O)[CH]1O[S](O)(=O)=O)C(O)=O; [C@H]1([
    C@@H]([C@@H](O[C@@H]([C@H]1OS(=O)(=O)O)O
    )C(=O)O)O)O; C1(C(C(=O)O)OC(O)C(C1O)OS(O
    )(=O)=O)O    		 2-O-sulfo-beta-L-galactopyranuronic acid
    39105 U98
    CHEMBL1330078
    ZINC000000481463    		 4 C12 H10 F3 N3 O2 S InChI=1S/C12H10F3N3O2S/c1
    3-12(14,15)8-3-1-4-9(7-8)
    18-11-10(21(16,19)20)5-2-
    6-17-11/h1-7H,(H,17,18)(H
    2,16,19,20);
    WOYXTNYWFYWXFO-UHFFFAOYSA-N    		 c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)
    F; FC(F)(F)c1cc(ccc1)Nc2ncccc2S(=O)(=O)N
    ; N[S](=O)(=O)c1cccnc1Nc2cccc(c2)C(F)(F)
    F    		 2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide
    39106 U99
    CHEMBL258098
    ZINC000028120490    		 2 C23 H30 O8 InChI=1S/C23H30O8/c1-22-7
    -5-14-21(26)31-17(13-6-8-
    29-11-13)10-23(14,2)19(22
    )18(24)16(30-12-27-3)9-15
    (22)20(25)28-4/h6,8,11,14
    -17,19H,5,7,9-10,12H2,1-4
    H3/t14-,15-,16-,17-,19-,2
    2-,23-/m0/s1;
    KFVUSZPWUZBAPF-AGQYDFLVSA-N    		 CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)
    OCOC)C)c4ccoc4; COCO[C@H]1C[C@@H](C(=O)O
    C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)
    [C@H]2C1=O)c4cocc4; C[C@@]12CC[C@H]3C(=O
    )O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]
    2C(=O)OC)OCOC)C)c4ccoc4; O=C(OC)C1CC(OCO
    C)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)c1ccoc1;
    COCO[CH]1C[CH](C(=O)OC)[C]2(C)CC[CH]3C(
    =O)O[CH](C[C]3(C)[CH]2C1=O)c4cocc4    		 methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(methoxymethoxy)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-naphtho[2,1-c]pyran-7-carboxylate
    39107 U9A 6 C5 H11 N O11 S2 InChI=1S/C5H11NO11S2/c7-2
    -1(6-18(10,11)12)4(9)16-5
    (3(2)8)17-19(13,14)15/h1-
    9H,(H,10,11,12)(H,13,14,1
    5)/t1-,2-,3-,4-,5-/m1/s1;
    SENPUEYGUGAZCY-WHDMSYDLSA-N    		 [C@H]1([C@H]([C@H]([C@H](O[C@H]1O)OS(=O)
    (=O)O)O)O)NS(=O)(=O)O; O[CH]1O[CH](O[S](
    O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=
    O; O[C@@H]1O[C@H](O[S](O)(=O)=O)[C@H](O)
    [C@H](O)[C@H]1N[S](O)(=O)=O; C1(C(C(NS(O
    )(=O)=O)C(OC1OS(O)(=O)=O)O)O)O; C1(C(C(C
    (OC1O)OS(=O)(=O)O)O)O)NS(=O)(=O)O    		 [(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid
    39108 U9B 1 C16 H27 N2 O4 P InChI=1S/C16H25N2O4P/c17-
    9-5-4-8-16(15(19)20)13-18
    (10-11-23(16,21)22)12-14-
    6-2-1-3-7-14/h1-3,6-7H,4-
    5,8-13,17H2,(H,19,20)(H,2
    1,22)/p+2/t16-/m0/s1;
    ZNSVXALGZJWZDW-INIZCTEOSA-P    		 c1ccc(cc1)C[NH+]2CCP(=O)(C(C2)(CCCC[NH3+
    ])C(=O)O)O; [NH3+]CCCC[C@]1(C[NH+](CC[P]
    1(O)=O)Cc2ccccc2)C(O)=O; c1ccc(cc1)C[N@@
    H+]2CCP(=O)([C@](C2)(CCCC[NH3+])C(=O)O)O
    ; [NH3+]CCCC[C]1(C[NH+](CC[P]1(O)=O)Cc2c
    cccc2)C(O)=O    		 (1R,3S)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide;
    4-[(1~{R},3~{S})-3-carboxy-4-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium
    39109 U9C 1 C13 H12 N4 S InChI=1S/C13H12N4S/c14-8-
    1-3-9(4-2-8)16-10-5-6-11-
    12(7-10)18-17-13(11)15/h1
    -7,16H,14H2,(H2,15,17);
    FECJVFNLOHROBQ-UHFFFAOYSA-N    		 c1cc(ccc1N)Nc2ccc3c(c2)snc3N; Nc1ccc(Nc2
    ccc3c(N)nsc3c2)cc1    		 ~{N}6-(4-aminophenyl)-1,2-benzothiazole-3,6-diamine
    39110 U9D 0 C9 H18 O5 InChI=1S/C9H18O5/c1-11-5-
    6-4-7(12-2)8(13-3)9(10)14
    -6/h6-10H,4-5H2,1-3H3/t6-
    ,7-,8+,9?/m0/s1;
    VGIKFUPOZBZSKX-VTBDLZGYSA-N    		 COCC1CC(C(C(O1)O)OC)OC; COC[C@@H]1C[C@@H
    ]([C@H](C(O1)O)OC)OC; COC[C@@H]1C[C@H](O
    C)[C@@H](OC)[C@@H](O)O1; COC[CH]1C[CH](O
    C)[CH](OC)[CH](O)O1; C1C(OC(C(C1OC)OC)O)
    COC    		 4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose
    39111 U9E
    CHEMBL5094126    		 1 C21 H17 Cl N2 O2 InChI=1S/C21H17ClN2O2/c1-
    2-12-18(15-6-3-4-8-16(15)
    22)20(21(25)26)24-19(12)1
    4-7-5-9-17-13(14)10-11-23
    -17/h3-11,23-24H,2H2,1H3,
    (H,25,26);
    DUINDISWGSUWAX-UHFFFAOYSA-N    		 CCc1c([nH]c(C(O)=O)c1c2ccccc2Cl)c3cccc4[
    nH]ccc34; CCc1c(c([nH]c1c2cccc3c2cc[nH]3
    )C(=O)O)c4ccccc4Cl    		 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid
    39112 U9F 2 C47 H46 B F3 I N9 O7 InChI=1S/C47H46BF3IN9O7/c
    1-28-43-42(44(57(2)45(28)
    64)56-37-15-8-29(52)25-36
    (37)49)46(65)59(31-9-10-3
    1)47(66)58(43)33-6-3-5-30
    (26-33)55-41(63)18-21-67-
    23-24-68-22-20-54-40(62)1
    7-14-32-11-12-34-27-35-13
    -16-39(38-7-4-19-53-38)61
    (35)48(50,51)60(32)34/h3-
    8,11-13,15-16,19,25-27,31
    ,53,56H,9-10,14,17-18,20-
    24H2,1-2H3,(H,54,62)(H,55
    ,63);
    IBAMXDPOERGEKA-UHFFFAOYSA-N    		 CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc
    4ccc(I)cc4F)c5cccc(NC(=O)CCOCCOCCNC(=O)C
    CC6=[N+]7C(=Cc8ccc(n8[B-]7(F)F)c9[nH]ccc
    9)C=C6)c5)C; [B-]1(n2c(ccc2c3ccc[nH]3)C=
    C4[N+]1=C(C=C4)CCC(=O)NCCOCCOCCC(=O)Nc5c
    ccc(c5)N6C7=C(C(=O)N(C(=C7C(=O)N(C6=O)C8
    CC8)Nc9ccc(cc9F)I)C)C)(F)F; F[B-]1(F)[N+
    ]=2C(=Cc3ccc(c4ccc[NH]4)n31)C=CC=2CCC(=O
    )NCCOCCOCCC(=O)Nc1cccc(c1)N1C2=C(C)C(=O)
    N(C)C(Nc3ccc(I)cc3F)=C2C(=O)N(C1=O)C1CC1    		 {3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron
    39113 U9G
    ZINC000006483310    		 1 C8 H16 O9 S InChI=1S/C8H16O9S/c1-14-6
    -5(9)4(3-16-18(11,12)13)1
    7-8(10)7(6)15-2/h4-10H,3H
    2,1-2H3,(H,11,12,13)/t4-,
    5-,6+,7-,8+/m1/s1;
    SYRNRUURZIIPLL-CBQIKETKSA-N    		 CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O
    )COS(=O)(=O)O)O; CO[CH]1[CH](O)O[CH](CO[
    S](O)(=O)=O)[CH](O)[CH]1OC; OC1C(OC(C(C1
    OC)OC)O)COS(O)(=O)=O; COC1C(C(OC(C1OC)O)
    COS(=O)(=O)O)O; CO[C@H]1[C@@H](O)O[C@H](
    CO[S](O)(=O)=O)[C@@H](O)[C@@H]1OC    		 2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose
    39114 U9H 2 C15 H16 F N3 O2 InChI=1S/C15H16FN3O2/c16-
    11-4-12(8-17-7-11)19-13(2
    0)15(18-14(19)21)5-10(6-1
    5)9-2-1-3-9/h4,7-10H,1-3,
    5-6H2,(H,18,21)/t10-,15-;
    FOZLXSUKKDDCIZ-LGZQZNNBSA-N    		 c1c(cncc1F)N2C(=O)C3(CC(C3)C4CCC4)NC2=O;
    Fc1cncc(c1)N2C(=O)N[C]3(C[CH](C3)C4CCC4
    )C2=O; Fc1cncc(c1)N2C(=O)N[C@@]3(C[C@H](
    C3)C4CCC4)C2=O    		 2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione;
    2-cyclobutyl-7-(5-fluoranylpyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
    39115 U9I
    CHEMBL277863
    ZINC000003792990    		 2 C19 H25 Cl2 N3 O3 InChI=1S/C19H25Cl2N3O3/c1
    -27-19(26)23-8-9-24(15(13
    -23)12-22-6-2-3-7-22)18(2
    5)11-14-4-5-16(20)17(21)1
    0-14/h4-5,10,15H,2-3,6-9,
    11-13H2,1H3/t15-/m1/s1;
    HJUAKZYKCANOOZ-OAHLLOKOSA-N    		 COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)Cc3ccc(c
    (c3)Cl)Cl; COC(=O)N1CCN([C@H](CN2CCCC2)C
    1)C(=O)Cc3ccc(Cl)c(Cl)c3; Clc1ccc(cc1Cl)
    CC(=O)N1CCN(CC1CN1CCCC1)C(=O)OC; COC(=O)
    N1CCN([C@@H](C1)CN2CCCC2)C(=O)Cc3ccc(c(c
    3)Cl)Cl; COC(=O)N1CCN([CH](CN2CCCC2)C1)C
    (=O)Cc3ccc(Cl)c(Cl)c3    		 methyl (3R)-4-[(3,4-dichlorophenyl)acetyl]-3-[(pyrrolidin-1-yl)methyl]piperazine-1-carboxylate
    39116 U9J 1 C8 H16 O7 InChI=1S/C8H16O7/c1-13-4-
    3(9)5(7(10)11)15-8(12)6(4
    )14-2/h3-12H,1-2H3/t3-,4-
    ,5+,6+,8+/m0/s1;
    ABSMSNIBELWCOB-XLIHNKEPSA-N    		 CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O
    )C(O)O)O; CO[C@H]1[C@H](O)O[C@@H](C(O)O)
    [C@@H](O)[C@@H]1OC; CO[CH]1[CH](O)O[CH](
    C(O)O)[CH](O)[CH]1OC; COC1C(C(OC(C1OC)O)
    C(O)O)O; OC1C(OC(C(C1OC)OC)O)C(O)O    		 (2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol
    39117 U9K 1 C20 H30 F N4 O4 P InChI=1S/C20H28FN4O4P/c1-
    24-14-23-11-18(24)17-10-1
    6(21)5-4-15(17)12-25-8-9-
    30(28,29)20(13-25,19(26)2
    7)6-2-3-7-22/h4-5,10-11,1
    4H,2-3,6-9,12-13,22H2,1H3
    ,(H,26,27)(H,28,29)/p+2/t
    20-/m0/s1;
    ZBWZIBATIOSFOY-FQEVSTJZSA-P    		 Cn1cncc1c2cc(F)ccc2C[NH+]3CC[P](O)(=O)[C
    @@](CCCC[NH3+])(C3)C(O)=O; Cn1cncc1c2cc(
    ccc2C[NH+]3CCP(=O)(C(C3)(CCCC[NH3+])C(=O
    )O)O)F; Cn1cncc1c2cc(ccc2C[N@@H+]3CCP(=O
    )([C@](C3)(CCCC[NH3+])C(=O)O)O)F; Cn1cnc
    c1c2cc(F)ccc2C[NH+]3CC[P](O)(=O)[C](CCCC
    [NH3+])(C3)C(O)=O    		 (1R,3S)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1H-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide;
    4-[(1~{R},3~{S})-3-carboxy-1-[[4-fluoranyl-2-(3-methylimidazol-4-yl)phenyl]methyl]-4-oxidanyl-4-oxidanylidene-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium
    39118 U9L 10 C22 H21 Cl N4 InChI=1S/C22H21ClN4/c23-1
    7-5-3-4-16(14-17)15-27-11
    -8-19-21(27)18-6-1-2-7-20
    (18)25-22(19)26-12-9-24-1
    0-13-26/h1-8,11,14,24H,9-
    10,12-13,15H2;
    MFUVKDHSDIAPMH-UHFFFAOYSA-N    		 Clc1cccc(Cn2ccc3c(nc4ccccc4c23)N5CCNCC5)
    c1; c1ccc2c(c1)c3c(ccn3Cc4cccc(c4)Cl)c(n
    2)N5CCNCC5    		 1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline
    39119 U9M 0 C8 H16 O7 InChI=1S/C8H16O7/c1-13-4-
    3(9)5(7(10)11)15-8(12)6(4
    )14-2/h3-12H,1-2H3/t3-,4-
    ,5-,6+,8+/m0/s1;
    ABSMSNIBELWCOB-GRJZWZNASA-N    		 CO[C@H]1[C@H](O)O[C@H](C(O)O)[C@@H](O)[C
    @@H]1OC; CO[C@H]1[C@@H]([C@H](O[C@H]([C@
    @H]1OC)O)C(O)O)O; CO[CH]1[CH](O)O[CH](C(
    O)O)[CH](O)[CH]1OC; COC1C(C(OC(C1OC)O)C(
    O)O)O; OC1C(OC(C(C1OC)OC)O)C(O)O    		 (2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol
    39120 U9N 1 C33 H66 N O8 P InChI=1S/C33H66NO8P/c1-3-
    5-7-9-11-12-13-14-15-16-1
    7-18-20-21-23-25-32(35)39
    -29-31(30-41-43(37,38)40-
    28-27-34)42-33(36)26-24-2
    2-19-10-8-6-4-2/h31H,3-30
    ,34H2,1-2H3,(H,37,38)/t31
    -/m0/s1;
    IQGMGIHASGWWFZ-HKBQPEDESA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O
    )OCCN)OC(=O)CCCCCCCCC; CCCCCCCCCCCCCCCCC
    C(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCC
    CCCC; CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(
    O)OCCN)OC(=O)CCCCCCCCC; CCCCCCCCCCCCCCCC
    CC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC(=O)CC
    CCCCCCC    		 [(2~{S})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate
    39121 U9O 1 C5 H11 N O2 InChI=1S/C5H11NO2/c6-3-1-
    2-5(8)4-7/h7H,1-4,6H2;
    RXEZLKNFLIROMJ-UHFFFAOYSA-N    		 C(CC(=O)CO)CN; NCCCC(=O)CO 5-azanyl-1-oxidanyl-pentan-2-one
    39122 U9P
    CHEMBL5221518    		 2 C23 H26 N8 O2 InChI=1S/C23H26N8O2/c1-14
    (2)30-6-4-20(29-30)19-12-
    31-22(28-21(19)27-17-5-7-
    33-13-17)18(11-26-31)15-8
    -16(10-25-9-15)23(32)24-3
    /h4,6,8-12,14,17H,5,7,13H
    2,1-3H3,(H,24,32)(H,27,28
    )/t17-/m0/s1;
    XGJBIMKIGAOMPJ-KRWDZBQOSA-N    		 CNC(=O)c1cncc(c1)c2cnn3cc(c(N[C@H]4CCOC4
    )nc23)c5ccn(n5)C(C)C; CC(C)n1ccc(n1)c1cn
    2ncc(c2nc1NC1CCOC1)c1cc(cnc1)C(=O)NC; CN
    C(=O)c1cncc(c1)c2cnn3cc(c(N[CH]4CCOC4)nc
    23)c5ccn(n5)C(C)C; CC(C)n1ccc(n1)c2cn3c(
    c(cn3)c4cc(cnc4)C(=O)NC)nc2NC5CCOC5; CC(
    C)n1ccc(n1)c2cn3c(c(cn3)c4cc(cnc4)C(=O)N
    C)nc2N[C@H]5CCOC5    		 (5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide
    39123 U9Q
    CHEMBL4846153    		 10 C21 H19 Cl N4 O2 S InChI=1S/C21H19ClN4O2S/c2
    2-15-4-3-5-16(14-15)29(27
    ,28)26-11-8-18-20(26)17-6
    -1-2-7-19(17)24-21(18)25-
    12-9-23-10-13-25/h1-8,11,
    14,23H,9-10,12-13H2;
    MUFITXOADYQFSV-UHFFFAOYSA-N    		 Clc1cccc(c1)[S](=O)(=O)n2ccc3c(nc4ccccc4
    c23)N5CCNCC5; c1ccc2c(c1)c3c(ccn3S(=O)(=
    O)c4cccc(c4)Cl)c(n2)N5CCNCC5    		 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline
    39124 U9R
    ZINC000225578129    		 1 C8 H11 N3 O2 S InChI=1S/C8H11N3O2S/c1-5-
    2-3-13-7(5)8(12)10-6-4-9-
    11-14-6/h4-5,7H,2-3H2,1H3
    ,(H,10,12)/t5-,7+/m1/s1;
    OAYBAYPFIGUPDE-VDTYLAMSSA-N    		 C[C@@H]1CCO[C@@H]1C(=O)Nc2cnns2; C[CH]1C
    CO[CH]1C(=O)Nc2snnc2; CC1CCOC1C(=O)Nc2cn
    ns2; O=C(Nc1cnns1)C1OCCC1C; C[C@@H]1CCO[
    C@@H]1C(=O)Nc2snnc2    		 (2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name)
    39125 U9S
    CHEMBL1741775
    ZINC000001675960    		 6 C4 H4 O5 InChI=1S/C4H4O5/c5-3(6)1-
    2(9-1)4(7)8/h1-2H,(H,5,6)
    (H,7,8)/t1-,2+;
    DCEMCPAKSGRHCN-XIXRPRMCSA-N    		 OC(=O)[CH]1O[CH]1C(O)=O; [C@@H]1([C@H](O
    1)C(=O)O)C(=O)O; OC(=O)[C@H]1O[C@H]1C(O)
    =O; C(C1C(O1)C(O)=O)(=O)O; C1(C(O1)C(=O)
    O)C(=O)O    		 (2R,3S)-oxirane-2,3-dicarboxylic acid;
    cis-2,3-epoxysuccinic acid
    39126 U9T 1 C15 H21 F N2 O InChI=1S/C15H21FN2O/c1-12
    -7-10-18(11-8-12)15(19)17
    -9-6-13-4-2-3-5-14(13)16/
    h2-5,12H,6-11H2,1H3,(H,17
    ,19);
    ZOWZHYQKQARZGD-UHFFFAOYSA-N    		 CC1CCN(CC1)C(=O)NCCc2ccccc2F ~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
    39127 U9U 2 C20 H17 F3 N4 O3 InChI=1S/C20H17F3N4O3/c21
    -20(22,23)14-4-2-1-3-13(1
    4)11-15-26-16(17(28)19(30
    )27-15)18(29)25-10-7-12-5
    -8-24-9-6-12/h1-6,8-9,28H
    ,7,10-11H2,(H,25,29)(H,26
    ,27,30);
    FACMTIGIIYGQOE-UHFFFAOYSA-N    		 OC1=C(NC(=NC1=O)Cc2ccccc2C(F)(F)F)C(=O)N
    CCc3ccncc3; c1ccc(c(c1)CC2=NC(=O)C(=C(N2
    )C(=O)NCCc3ccncc3)O)C(F)(F)F; FC(F)(F)c1
    ccccc1CC1=NC(=O)C(O)=C(N1)C(=O)NCCc1ccnc
    c1    		 5-hydroxy-6-oxo-N-[2-(pyridin-4-yl)ethyl]-2-{[2-(trifluoromethyl)phenyl]methyl}-3,6-dihydropyrimidine-4-carboxamide
    39128 U9V 1 C33 H64 O4 InChI=1S/C33H64O4/c1-3-5-
    7-9-11-13-15-17-19-21-23-
    25-27-29-33(35)37-31-30-3
    6-32(34)28-26-24-22-20-18
    -16-14-12-10-8-6-4-2/h3-3
    1H2,1-2H3;
    VKLOIKIKCDJYHU-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC
    CCC; O(C(=O)CCCCCCCCCCCCCCC)CCOC(=O)CCCC
    CCCCCCCCCC    		 pentadecyl(tetradecyl)peroxyanhydride
    39129 U9W
    ZINC000000392867    		 1 C13 H17 Cl N2 O InChI=1S/C13H17ClN2O/c1-1
    0-6-8-16(9-7-10)13(17)15-
    12-4-2-11(14)3-5-12/h2-5,
    10H,6-9H2,1H3,(H,15,17);
    WMWBLCFXKIUSDK-UHFFFAOYSA-N    		 CC1CCN(CC1)C(=O)Nc2ccc(Cl)cc2; CC1CCN(CC
    1)C(=O)Nc2ccc(cc2)Cl    		 ~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
    39130 U9X 1 C34 H60 N4 O7 InChI=1S/C34H60N4O7/c1-13
    -23(8)31(37(10)11)34(43)4
    5-28(18-22(6)7)33(42)36-2
    5(16-20(2)3)32(41)35-24(9
    )14-15-29(39)38-26(17-21(
    4)5)27(44-12)19-30(38)40/
    h19-26,28,31H,13-18H2,1-1
    2H3,(H,35,41)(H,36,42)/t2
    3-,24-,25-,26-,28-,31-/m0
    /s1;
    QKERMDKGLIBAHM-VZNHIJNGSA-N    		 CC[CH](C)[CH](N(C)C)C(=O)O[CH](CC(C)C)C(
    =O)N[CH](CC(C)C)C(=O)N[CH](C)CCC(=O)N1[C
    H](CC(C)C)C(=CC1=O)OC; CC[C@H](C)[C@@H](
    C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)
    C(=O)N[C@@H](C)CCC(=O)N1[C@H](C(=CC1=O)O
    C)CC(C)C)N(C)C; CCC(C)C(C(=O)OC(CC(C)C)C
    (=O)NC(CC(C)C)C(=O)NC(C)CCC(=O)N1C(C(=CC
    1=O)OC)CC(C)C)N(C)C; CC[C@H](C)[C@H](N(C
    )C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C
    )C)C(=O)N[C@@H](C)CCC(=O)N1[C@@H](CC(C)C
    )C(=CC1=O)OC    		 [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate
    39131 U9Y
    CHEMBL5191319    		 2 C17 H18 Cl2 N6 InChI=1S/C17H18Cl2N6/c1-1
    7(20)5-7-25(8-6-17)12-9-2
    1-15-14(23-24-16(15)22-12
    )10-3-2-4-11(18)13(10)19/
    h2-4,9H,5-8,20H2,1H3,(H,2
    2,23,24);
    AMADCPJVPLUGQO-UHFFFAOYSA-N    		 CC1(N)CCN(CC1)c2cnc3c([nH]nc3c4cccc(Cl)c
    4Cl)n2; c12nnc(c1ncc(n2)N3CCC(CC3)(C)N)c
    4cccc(c4Cl)Cl; CC1(CCN(CC1)c2cnc3c(n[nH]
    c3n2)c4cccc(c4Cl)Cl)N    		 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
    39132 U9Z 1 C14 H17 F3 N2 O InChI=1S/C14H17F3N2O/c1-1
    0-6-8-19(9-7-10)13(20)18-
    12-4-2-11(3-5-12)14(15,16
    )17/h2-5,10H,6-9H2,1H3,(H
    ,18,20);
    GSJUDFGKALFBQN-UHFFFAOYSA-N    		 CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F 4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
    39133 UA0 1 C12 H15 Cl N2 O InChI=1S/C12H15ClN2O/c13-
    10-4-3-5-11(8-10)14-12(16
    )9-15-6-1-2-7-15/h3-5,8H,
    1-2,6-7,9H2,(H,14,16);
    LYOGVEMYZLFKJY-UHFFFAOYSA-N    		 Clc1cccc(NC(=O)CN2CCCC2)c1; c1cc(cc(c1)C
    l)NC(=O)CN2CCCC2    		 ~{N}-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethanamide
    39134 UA1
    ZINC000016052164    		 2 C24 H32 N4 O8 S InChI=1S/C24H32N4O8S/c1-2
    4(2,3)36-23(32)27-20(14-1
    6-7-11-18(29)12-8-16)22(3
    1)26-19(21(30)25-4)13-15-
    5-9-17(10-6-15)28-37(33,3
    4)35/h5-12,19-20,28-29H,1
    3-14H2,1-4H3,(H,25,30)(H,
    26,31)(H,27,32)(H,33,34,3
    5)/t19-,20-/m0/s1;
    WHAYYJWTZOFXQG-PMACEKPBSA-N    		 CNC(=O)[CH](Cc1ccc(N[S](O)(=O)=O)cc1)NC(
    =O)[CH](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C; O=
    S(=O)(O)Nc1ccc(cc1)CC(C(=O)NC)NC(=O)C(NC
    (=O)OC(C)(C)C)Cc2ccc(O)cc2; CC(C)(C)OC(=
    O)NC(Cc1ccc(cc1)O)C(=O)NC(Cc2ccc(cc2)NS(
    =O)(=O)O)C(=O)NC; CC(C)(C)OC(=O)N[C@@H](
    Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)NS(
    =O)(=O)O)C(=O)NC; CNC(=O)[C@H](Cc1ccc(N[
    S](O)(=O)=O)cc1)NC(=O)[C@H](Cc2ccc(O)cc2
    )NC(=O)OC(C)(C)C    		 N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE
    39135 UA2
    CHEMBL1236524
    DB11676
    ZINC000013492903    		 7 C11 H15 N5 O3 InChI=1S/C11H15N5O3/c12-1
    1-8-6(14-3-15-11)4(1-13-8
    )7-10(19)9(18)5(2-17)16-7
    /h1,3,5,7,9-10,13,16-19H,
    2H2,(H2,12,14,15)/t5-,7+,
    9-,10+/m1/s1;
    AMFDITJFBUXZQN-KUBHLMPHSA-N    		 Nc1ncnc2c1[nH]cc2[C@@H]3N[C@H](CO)[C@@H]
    (O)[C@H]3O; OC3C(c2c1ncnc(N)c1nc2)NC(CO)
    C3O; Nc1ncnc2c1[nH]cc2[CH]3N[CH](CO)[CH]
    (O)[CH]3O; c1c(c2c([nH]1)c(ncn2)N)C3C(C(
    C(N3)CO)O)O; c1c(c2c([nH]1)c(ncn2)N)[C@H
    ]3[C@@H]([C@@H]([C@H](N3)CO)O)O    		 3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-2S,3S,4R,5R
    39136 UA3
    CHEMBL460901
    DB02805    		 3 C9 H13 N2 O9 P InChI=1S/C9H13N2O9P/c12-3
    -4-7(20-21(16,17)18)6(14)
    8(19-4)11-2-1-5(13)10-9(1
    1)15/h1-2,4,6-8,12,14H,3H
    2,(H,10,13,15)(H2,16,17,1
    8)/t4-,6+,7-,8-/m1/s1;
    FOGRQMPFHUHIGU-PXBUCIJWSA-N    		 O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2O)C
    O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)
    (O)O)O; C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@
    @H](C(O2)CO)OP(=O)(O)O)O; OC[CH]1O[CH]([
    CH](O)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O;
    OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O[P](O)(
    O)=O)N2C=CC(=O)NC2=O    		 URACIL ARABINOSE-3'-PHOSPHATE;
    1-(3-O-PHOSPHONO-BETA-L-ARABINOFURANOSYL)PYRIMIDINE-2,4(1H,3H)-DIONE
    39137 UA4
    ZINC000014966349    		 2 C25 H27 F2 N5 O3 InChI=1S/C25H27F2N5O3/c1-
    4-18-21(22(28)31-24(29)30
    -18)14-6-7-20-19(10-14)32
    (8-5-9-34-3)23(33)25(2,35
    -20)15-11-16(26)13-17(27)
    12-15/h6-7,10-13H,4-5,8-9
    H2,1-3H3,(H4,28,29,30,31)
    /t25-/m0/s1;
    UAXNNGUDPWZOKX-VWLOTQADSA-N    		 CCc1nc(N)nc(N)c1c2ccc3O[C](C)(C(=O)N(CCC
    OC)c3c2)c4cc(F)cc(F)c4; CCc1c(c(nc(n1)N)
    N)c2ccc3c(c2)N(C(=O)[C@](O3)(C)c4cc(cc(c
    4)F)F)CCCOC; CCc1c(c(nc(n1)N)N)c2ccc3c(c
    2)N(C(=O)C(O3)(C)c4cc(cc(c4)F)F)CCCOC; C
    Cc1nc(N)nc(N)c1c2ccc3O[C@](C)(C(=O)N(CCC
    OC)c3c2)c4cc(F)cc(F)c4; Fc1cc(cc(F)c1)C4
    (Oc3ccc(c2c(nc(nc2N)N)CC)cc3N(C4=O)CCCOC
    )C    		 (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE
    39138 UA5
    DB08678
    ZINC000016052169    		 2 C8 H11 N O3 S InChI=1S/C8H11NO3S/c1-2-7
    -3-5-8(6-4-7)9-13(10,11)1
    2/h3-6,9H,2H2,1H3,(H,10,1
    1,12);
    HXARYYGNSVTEFC-UHFFFAOYSA-N    		 CCc1ccc(N[S](O)(=O)=O)cc1; O=S(=O)(O)Nc1
    ccc(cc1)CC; CCc1ccc(cc1)NS(=O)(=O)O    		 (4-ETHYLPHENYL)SULFAMIC ACID
    39139 UA6
    CHEMBL5188048    		 2 C23 H15 F6 N3 O InChI=1S/C23H15F6N3O/c24-
    22(25,26)17-11-10-16(20(1
    5-17)23(27,28)29)14-21(33
    )32(19-8-2-1-3-9-19)13-5-
    7-18-6-4-12-30-31-18/h1-4
    ,6,8-12,15H,13-14H2;
    SCSRPWBBDHKGCX-UHFFFAOYSA-N    		 c1ccc(cc1)N(CC#Cc2cccnn2)C(=O)Cc3ccc(cc3
    C(F)(F)F)C(F)(F)F; FC(F)(F)c1ccc(CC(=O)N
    (CC#Cc2cccnn2)c3ccccc3)c(c1)C(F)(F)F; FC
    (F)(F)c1ccc(CC(=O)N(CC#Cc2cccnn2)c2ccccc
    2)c(c1)C(F)(F)F    		 2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide
    39140 UA7
    ZINC000028818593    		 2 C31 H23 Br O3 InChI=1S/C31H23BrO3/c32-2
    4-15-13-20(14-16-24)19-9-
    11-21(12-10-19)23-17-22-5
    -1-2-6-25(22)27(18-23)29-
    30(33)26-7-3-4-8-28(26)35
    -31(29)34/h1-16,23,27,33H
    ,17-18H2/t23-,27-/m1/s1;
    VEUZZDOCACZPRY-YIXXDRMTSA-N    		 c1ccc2c(c1)CC(CC2C3=C(c4ccccc4OC3=O)O)c5
    ccc(cc5)c6ccc(cc6)Br; c1ccc2c(c1)C[C@H](
    C[C@H]2C3=C(c4ccccc4OC3=O)O)c5ccc(cc5)c6
    ccc(cc6)Br; OC1=C([CH]2C[CH](Cc3ccccc23)
    c4ccc(cc4)c5ccc(Br)cc5)C(=O)Oc6ccccc16;
    C4C(c2ccc(c1ccc(cc1)Br)cc2)Cc3ccccc3C4C=
    5C(Oc6c(C=5O)cccc6)=O; OC1=C([C@@H]2C[C@
    @H](Cc3ccccc23)c4ccc(cc4)c5ccc(Br)cc5)C(
    =O)Oc6ccccc16    		 Brodifacoum;
    3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one
    39141 UA8 1 C14 H26 N2 O InChI=1S/C14H26N2O/c1-12-
    8-10-16(11-9-12)14(17)15-
    13-6-4-2-3-5-7-13/h12-13H
    ,2-11H2,1H3,(H,15,17);
    RBBIAFZDUSBCMN-UHFFFAOYSA-N    		 CC1CCN(CC1)C(=O)NC2CCCCCC2 ~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
    39142 UA9 1 C40 H56 N4 O7 InChI=1S/C40H56N4O7/c1-26
    (2)21-31(42-39(48)35(22-2
    7(3)4)51-40(49)33(43(6)7)
    24-30-17-13-10-14-18-30)3
    8(47)41-28(5)19-20-36(45)
    44-32(34(50-8)25-37(44)46
    )23-29-15-11-9-12-16-29/h
    9-18,25-28,31-33,35H,19-2
    4H2,1-8H3,(H,41,47)(H,42,
    48)/t28-,31-,32-,33-,35-/
    m0/s1;
    WESAHNJMKCXPAC-WEHFJZMFSA-N    		 COC1=CC(=O)N([C@H]1Cc2ccccc2)C(=O)CC[C@H
    ](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)
    C)OC(=O)[C@H](Cc3ccccc3)N(C)C; C[C@@H](C
    CC(=O)N1[C@H](C(=CC1=O)OC)Cc2ccccc2)NC(=
    O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)
    [C@H](Cc3ccccc3)N(C)C; COC1=CC(=O)N([CH]
    1Cc2ccccc2)C(=O)CC[CH](C)NC(=O)[CH](CC(C
    )C)NC(=O)[CH](CC(C)C)OC(=O)[CH](Cc3ccccc
    3)N(C)C; CC(C)CC(C(=O)NC(C)CCC(=O)N1C(C(
    =CC1=O)OC)Cc2ccccc2)NC(=O)C(CC(C)C)OC(=O
    )C(Cc3ccccc3)N(C)C    		 [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate
    39143 UAA
    CHEMBL593503
    DB03048
    ZINC000000403617    		 4 C6 H6 N2 O4 InChI=1S/C6H6N2O4/c9-4-1-
    3(2-5(10)11)7-6(12)8-4/h1
    H,2H2,(H,10,11)(H2,7,8,9,
    12);
    NQAUNZZEYKWTHM-UHFFFAOYSA-N    		 O=C1NC(=CC(=O)N1)CC(=O)O; OC(=O)CC1=CC(=
    O)NC(=O)N1; C1=C(NC(=O)NC1=O)CC(=O)O    		 URACIL-6-ACETIC ACID;
    6-CARBOXYMETHYLURACIL
    39144 UAB 1 C17 H26 N2 O InChI=1S/C17H26N2O/c1-15-
    10-13-19(14-11-15)17(20)1
    8-12-6-5-9-16-7-3-2-4-8-1
    6/h2-4,7-8,15H,5-6,9-14H2
    ,1H3,(H,18,20);
    DHSRHSOXWFKTLE-UHFFFAOYSA-N    		 CC1CCN(CC1)C(=O)NCCCCc2ccccc2 4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide
    39145 UAC 1 C45 H65 Cl N8 O6 InChI=1S/C45H65ClN8O6/c1-
    29(43(59)52(22-19-45(7,8)
    9)33(5)42(58)51-23-20-47-
    21-24-51)49(10)41(57)32(4
    )54(28-36-26-48-39-25-37(
    46)17-18-38(36)39)44(60)3
    0(2)50(11)40(56)31(3)53(3
    4(6)55)27-35-15-13-12-14-
    16-35/h12-18,25-26,29-33,
    47-48H,19-24,27-28H2,1-11
    H3/t29-,30-,31-,32-,33-/m
    0/s1;
    GPZUKWJTFXMPJR-ZTTXAYQISA-N    		 C[C@@H](C(=O)N1CCNCC1)N(CCC(C)(C)C)C(=O)
    [C@H](C)N(C)C(=O)[C@H](C)N(Cc2c[nH]c3c2c
    cc(c3)Cl)C(=O)[C@H](C)N(C)C(=O)[C@H](C)N
    (Cc4ccccc4)C(=O)C; CC(C(=O)N1CCNCC1)N(CC
    C(C)(C)C)C(=O)C(C)N(C)C(=O)C(C)N(Cc2c[nH
    ]c3c2ccc(c3)Cl)C(=O)C(C)N(C)C(=O)C(C)N(C
    c4ccccc4)C(=O)C; C[C@H](N(C)C(=O)[C@H](C
    )N(Cc1c[nH]c2cc(Cl)ccc12)C(=O)[C@H](C)N(
    C)C(=O)[C@H](C)N(Cc3ccccc3)C(C)=O)C(=O)N
    (CCC(C)(C)C)[C@@H](C)C(=O)N4CCNCC4; C[CH
    ](N(C)C(=O)[CH](C)N(Cc1c[nH]c2cc(Cl)ccc1
    2)C(=O)[CH](C)N(C)C(=O)[CH](C)N(Cc3ccccc
    3)C(C)=O)C(=O)N(CCC(C)(C)C)[CH](C)C(=O)N
    4CCNCC4    		 (2S)-2-[[(2S)-2-[(6-chloranyl-1H-indol-3-yl)methyl-[(2S)-2-[[(2S)-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-N-(3,3-dimethylbutyl)-N-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide
    39146 UAD
    ZINC000008551270    		 1 C14 H22 N2 O16 P2 InChI=1S/C14H22N2O16P2/c1
    7-5-3-28-13(11(22)8(5)19)
    31-34(26,27)32-33(24,25)2
    9-4-6-9(20)10(21)12(30-6)
    16-2-1-7(18)15-14(16)23/h
    1-2,5-6,8-13,17,19-22H,3-
    4H2,(H,24,25)(H,26,27)(H,
    15,18,23)/t5-,6+,8-,9+,10
    +,11+,12+,13-/m0/s1;
    DQQDLYVHOTZLOR-YDXBSWQDSA-N    		 O[C@H]1CO[C@@H](O[P](O)(=O)O[P](O)(=O)OC
    [C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)
    NC3=O)[C@H](O)[C@H]1O; O=C1C=CN(C(=O)N1)
    C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OCC(O)C(O
    )C3O)O)O; C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O
    )OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O;
    O[CH]1CO[CH](O[P](O)(=O)O[P](O)(=O)OC[C
    H]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[
    CH](O)[CH]1O; C1[C@@H]([C@@H]([C@H]([C@@
    H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[
    C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O
    )O)O)O    		 [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate
    39147 UAE
    ZINC000005915794    		 1 C13 H24 N2 O InChI=1S/C13H24N2O/c1-11-
    7-9-15(10-8-11)13(16)14-1
    2-5-3-2-4-6-12/h11-12H,2-
    10H2,1H3,(H,14,16);
    BOSHLBWKQSSSGD-UHFFFAOYSA-N    		 CC1CCN(CC1)C(=O)NC2CCCCC2 ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
    39148 UAF 1 C16 H14 F3 N3 S InChI=1S/C16H14F3N3S/c1-2
    1(11-6-3-2-4-7-11)14(23)1
    0-22-15(16(17,18)19)12-8-
    5-9-13(12)20-22/h2-9,20H,
    10H2,1H3;
    HKIQFXYWIJQJAT-UHFFFAOYSA-N    		 CN(C(=S)Cn1[nH]c2cccc2c1C(F)(F)F)c3ccccc
    3; CN(c1ccccc1)C(=S)Cn2c(c-3cccc3[nH]2)C
    (F)(F)F; FC(F)(F)C1=C2C=CC=C2NN1CC(=S)N(
    C)c1ccccc1    		 N-methyl-N-phenyl[(3aM)-3-(trifluoromethyl)cyclopenta[c]pyrazol-2(1H)-yl]ethanethioamide
    39149 UAG
    DB02314
    ZINC000096068408    		 11 C28 H43 N5 O23 P2 InChI=1S/C28H43N5O23P2/c1
    -10(23(42)31-13(26(44)45)
    4-5-17(37)38)29-24(43)11(
    2)52-22-18(30-12(3)35)27(
    54-14(8-34)20(22)40)55-58
    (49,50)56-57(47,48)51-9-1
    5-19(39)21(41)25(53-15)33
    -7-6-16(36)32-28(33)46/h6
    -7,10-11,13-15,18-22,25,2
    7,34,39-41H,4-5,8-9H2,1-3
    H3,(H,29,43)(H,30,35)(H,3
    1,42)(H,37,38)(H,44,45)(H
    ,47,48)(H,49,50)(H,32,36,
    46)/t10-,11+,13+,14+,15+,
    18+,19+,20+,21+,22+,25+,2
    7+/m0/s1;
    OJZCATPXPWFLHF-HPUCEMLMSA-N    		 C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=
    O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([
    C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@
    @H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=
    O)O)O)NC(=O)C; C[CH](NC(=O)[CH](C)O[CH]1
    [CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)(
    =O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)
    NC3=O)[CH]1NC(C)=O)C(=O)N[CH](CCC(O)=O)C
    (O)=O; C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H
    ](O)[C@@H](CO)O[C@H](O[P@](O)(=O)O[P@@](
    O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3
    C=CC(=O)NC3=O)[C@@H]1NC(C)=O)C(=O)N[C@H]
    (CCC(O)=O)C(O)=O; CC(C(=O)NC(CCC(=O)O)C(
    =O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)OP(=O)(O
    )OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O
    )O)NC(=O)C; O=P(OC1OC(C(O)C(OC(C(=O)NC(C
    (=O)NC(C(=O)O)CCC(=O)O)C)C)C1NC(=O)C)CO)
    (O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C
    3O    		 URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE-D-GLUTAMATE
    39150 UAH 2 C7 H10 N O5 P InChI=1S/C7H10NO5P/c1-5-7
    (9)2-6(3-8-5)4-13-14(10,1
    1)12/h2-3,9H,4H2,1H3,(H2,
    10,11,12);
    CKIPHKBHPIDPOG-UHFFFAOYSA-N    		 Cc1c(cc(cn1)COP(=O)(O)O)O; Cc1ncc(CO[P](
    O)(O)=O)cc1O; Cc1ncc(cc1O)COP(O)(O)=O    		 (5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate;
    4'-deformyl pyidoxal phosphote
    39151 UAI 2 C15 H14 Cl2 O2 InChI=1S/C15H14Cl2O2/c1-1
    5(2,9-3-5-13(18)11(16)7-9
    )10-4-6-14(19)12(17)8-10/
    h3-8,18-19H,1-2H3;
    XBQRPFBBTWXIFI-UHFFFAOYSA-N    		 CC(C)(c1ccc(c(c1)Cl)O)c2ccc(c(c2)Cl)O; C
    C(C)(c1ccc(O)c(Cl)c1)c2ccc(O)c(Cl)c2    		 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol
    39152 UAJ
    ZINC000100038034    		 2 C23 H15 Cl O3 InChI=1S/C23H15ClO3/c24-1
    6-12-10-15(11-13-16)19(14
    -6-2-1-3-7-14)23(27)20-21
    (25)17-8-4-5-9-18(17)22(2
    0)26/h1-13,19-20H/t19-/m1
    /s1;
    UDHXJZHVNHGCEC-LJQANCHMSA-N    		 c1ccc(cc1)C(c2ccc(cc2)Cl)C(=O)C3C(=O)c4c
    cccc4C3=O; Clc1ccc(cc1)[C@H](C(=O)C2C(=O
    )c3ccccc3C2=O)c4ccccc4; c1ccc(cc1)[C@H](
    c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O; c
    1ccc(cc1)C(C(C3C(=O)c2ccccc2C3=O)=O)c4cc
    c(Cl)cc4; Clc1ccc(cc1)[CH](C(=O)C2C(=O)c
    3ccccc3C2=O)c4ccccc4    		 Chlorophacinone;
    2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione
    39153 UAK 1 C15 H22 N2 O InChI=1S/C15H22N2O/c1-12-
    8-10-17(11-9-12)15(18)16-
    13(2)14-6-4-3-5-7-14/h3-7
    ,12-13H,8-11H2,1-2H3,(H,1
    6,18)/t13-/m1/s1;
    PSSJJOIQPKCPGY-CYBMUJFWSA-N    		 CC1CCN(CC1)C(=O)N[C@H](C)c2ccccc2; CC1CC
    N(CC1)C(=O)NC(C)c2ccccc2; CC1CCN(CC1)C(=
    O)N[CH](C)c2ccccc2    		 4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide
    39154 UAL 0 C4 H7 N3 O3 InChI=1S/C4H7N3O3/c5-2(3(
    8)9)1-7-4(6)10/h1H,5H2,(H
    ,8,9)(H3,6,7,10)/b2-1-;
    KFNFSNNTMFEOGR-UPHRSURJSA-N    		 C(=C(/C(=O)O)\N)\NC(=O)N; C(=C(C(=O)O)N)
    NC(=O)N; NC(=O)NC=C(N)C(O)=O; NC(=O)N/C=
    C(N)/C(O)=O    		 (2Z)-2-amino-3-(carbamoylamino)prop-2-enoic acid
    39155 UAM
    CHEMBL3799391
    ZINC000014417871    		 7 C20 H29 N3 O7 InChI=1S/C20H29N3O7/c1-9(
    2)6-12(23-19(28)18(27)17(
    26)11(21)8-15(22)25)14-7-
    10-4-3-5-13(24)16(10)20(2
    9)30-14/h3-5,9,11-12,14,1
    7-18,24,26-27H,6-8,21H2,1
    -2H3,(H2,22,25)(H,23,28)/
    t11-,12-,14-,17-,18-/m0/s
    1;
    DCPWYLSPIAHJFU-YKRRISCLSA-N    		 O=C(N)CC(N)C(O)C(O)C(=O)NC(C2OC(=O)c1c(c
    ccc1O)C2)CC(C)C; CC(C)C[CH](NC(=O)[CH](O
    )[CH](O)[CH](N)CC(N)=O)[CH]1Cc2cccc(O)c2
    C(=O)O1; CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C
    (=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N
    )N)O)O; CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H
    ](O)[C@@H](N)CC(N)=O)[C@@H]1Cc2cccc(O)c2
    C(=O)O1; CC(C)CC(C1Cc2cccc(c2C(=O)O1)O)N
    C(=O)C(C(C(CC(=O)N)N)O)O    		 Amicoumacin A
    39156 UAN 1 C7 H9 N5 O InChI=1S/C7H9N5O/c1-8-7-1
    0-5-4(6(13)11-7)9-3-12(5)
    2/h3H,1-2H3,(H2,8,10,11,1
    3);
    VUUPVSDSPZJFFN-UHFFFAOYSA-N    		 CNC1=Nc2c(ncn2C)C(=O)N1; CNC1=Nc2n(C)cnc
    2C(=O)N1    		 9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-ONE
    39157 UAO 1 C12 H12 N2 O InChI=1S/C12H12N2O/c15-12
    -6-5-10(14-12)11-7-8-3-1-
    2-4-9(8)13-11/h1-4,7,10,1
    3H,5-6H2,(H,14,15)/t10-/m
    0/s1;
    SNOGMRAGDZEUJL-JTQLQIEISA-N    		 O=C1CC[C@H](N1)c2[nH]c3ccccc3c2; c1ccc2c
    (c1)cc([nH]2)C3CCC(=O)N3; c1ccc2c(c1)cc(
    [nH]2)[C@@H]3CCC(=O)N3; O=C1CC[CH](N1)c2
    [nH]c3ccccc3c2    		 (5~{S})-5-(1~{H}-indol-2-yl)pyrrolidin-2-one
    39158 UAP
    DB03981
    ZINC000005834516    		 24 C6 H8 O9 S InChI=1S/C6H8O9S/c7-2-1-3
    (5(8)9)14-6(10)4(2)15-16(
    11,12)13/h1-2,4,6-7,10H,(
    H,8,9)(H,11,12,13)/t2-,4+
    ,6+/m0/s1;
    VJIMUKBSNUBECH-YKKSOZKNSA-N    		 C1=C(OC(C(C1O)OS(=O)(=O)O)O)C(=O)O; O[CH
    ]1OC(=C[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O;
    O[C@@H]1OC(=C[C@H](O)[C@H]1O[S](O)(=O)=
    O)C(O)=O; O=C(O)C=1OC(O)C(OS(=O)(=O)O)C(
    O)C=1; C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)
    (=O)O)O)C(=O)O    		 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid;
    4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enuronic acid;
    4-deoxy-2-O-sulfo-L-threo-hex-4-enuronic acid;
    4-deoxy-2-O-sulfo-threo-hex-4-enuronic acid
    39159 UAQ 1 C12 H18 N2 O2 InChI=1S/C12H18N2O2/c1-10
    -4-6-14(7-5-10)12(15)13-9
    -11-3-2-8-16-11/h2-3,8,10
    H,4-7,9H2,1H3,(H,13,15);
    WVQSALJZZLSNAY-UHFFFAOYSA-N    		 CC1CCN(CC1)C(=O)NCc2occc2; CC1CCN(CC1)C(
    =O)NCc2ccco2    		 ~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
    39160 UAR
    ZINC000002606131    		 0 C9 H13 N2 O9 P InChI=1S/C9H13N2O9P/c12-5
    -1-2-11(9(15)10-5)8-7(14)
    6(13)4(20-8)3-19-21(16,17
    )18/h1-2,4,6-8,13-14H,3H2
    ,(H,10,12,15)(H2,16,17,18
    )/t4-,6-,7+,8-/m1/s1;
    DJJCXFVJDGTHFX-CCXZUQQUSA-N    		 O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)
    O; C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([
    C@H](O2)COP(=O)(O)O)O)O; O[CH]1[CH](O)[C
    H](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O;
    C1=CN(C(=O)NC1=O)C2C(C(C(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)NC2=O    		 URACIL ARABINOSE-5'-PHOSPHATE
    39161 UAS
    CHEMBL711
    DB00498
    ZINC000100004862    		 1 C15 H10 O2 InChI=1S/C15H10O2/c16-14-
    11-8-4-5-9-12(11)15(17)13
    (14)10-6-2-1-3-7-10/h1-9,
    13H;
    NFBAXHOPROOJAW-UHFFFAOYSA-N    		 c1ccc(cc1)C2C(=O)c3ccccc3C2=O; O=C1C(c2c
    cccc2)C(=O)c3ccccc13; c1c2C(C(C(=O)c2ccc
    1)c3ccccc3)=O    		 Phenindione;
    2-phenyl-1H-indene-1,3(2H)-dione
    39162 UAT 1 C14 H20 N2 O InChI=1S/C14H20N2O/c1-12-
    7-9-16(10-8-12)14(17)15-1
    1-13-5-3-2-4-6-13/h2-6,12
    H,7-11H2,1H3,(H,15,17);
    ACFQCOHGQYWPEA-UHFFFAOYSA-N    		 CC1CCN(CC1)C(=O)NCc2ccccc2 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide
    39163 UAU
    CHEMBL5266553    		 2 C23 H22 N6 O2 InChI=1S/C23H22N6O2/c1-16
    -14-28(11-12-31-16)21-8-9
    -24-13-19(21)27-23(30)18-
    7-10-25-29-15-20(26-22(18
    )29)17-5-3-2-4-6-17/h2-10
    ,13,15-16H,11-12,14H2,1H3
    ,(H,27,30)/t16-/m0/s1;
    MENVSADYTLLXLP-INIZCTEOSA-N    		 C[CH]1CN(CCO1)c2ccncc2NC(=O)c3ccnn4cc(nc
    34)c5ccccc5; CC1CN(CCO1)c2ccncc2NC(=O)c3
    ccnn4c3nc(c4)c5ccccc5; O=C(Nc1cnccc1N1CC
    (C)OCC1)c1ccnn2cc(nc21)c1ccccc1; C[C@H]1
    CN(CCO1)c2ccncc2NC(=O)c3ccnn4cc(nc34)c5c
    cccc5    		 (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
    39164 UAV 1 C31 H48 O3 InChI=1S/C31H48O3/c1-22(2
    )12-9-13-23(3)14-10-15-24
    (4)16-11-17-25(5)20-21-31
    (34)26(6)29(32)27-18-7-8-
    19-28(27)30(31)33/h7-8,18
    -20,22-24,26,34H,9-17,21H
    2,1-6H3/b25-20+/t23?,24-,
    26-,31+/m0/s1;
    OOJSROHRRKVBFW-USURNWHCSA-N    		 C[C@H]1C(=O)c2ccccc2C(=O)[C@]1(C/C=C(\C)
    /CCC[C@@H](C)CCCC(C)CCCC(C)C)O; CC(C)CCC
    C(C)CCC[C@H](C)CCC\C(C)=C\C[C@@]1(O)[C@@
    H](C)C(=O)c2ccccc2C1=O; c12c(cccc1)C(=O)
    C(C[C@H]=C(CCCC(CCCC(CCCC(C)C)C)C)C)(C(C
    2=O)C)O; CC1C(=O)c2ccccc2C(=O)C1(CC=C(C)
    CCCC(C)CCCC(C)CCCC(C)C)O; CC(C)CCCC(C)CC
    C[CH](C)CCCC(C)=CC[C]1(O)[CH](C)C(=O)c2c
    cccc2C1=O    		 (2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione
    39165 UAW 1 C13 H18 N2 O2 InChI=1S/C13H18N2O2/c1-10
    -6-8-15(9-7-10)13(17)14-1
    1-2-4-12(16)5-3-11/h2-5,1
    0,16H,6-9H2,1H3,(H,14,17);
    UZAHGCAHTQUCTG-UHFFFAOYSA-N    		 CC1CCN(CC1)C(=O)Nc2ccc(cc2)O; CC1CCN(CC1
    )C(=O)Nc2ccc(O)cc2    		 ~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide
    39166 UAX 1 C31 H41 N5 O7 InChI=1S/C31H41N5O7/c1-31
    (2,3)43-30(42)35-22-10-7-
    15-36(29(22)41)24(16-19-1
    1-12-19)27(39)34-23(17-21
    -13-14-32-26(21)38)25(37)
    28(40)33-18-20-8-5-4-6-9-
    20/h4-10,15,19,21,23-25,3
    7H,11-14,16-18H2,1-3H3,(H
    ,32,38)(H,33,40)(H,34,39)
    (H,35,42)/t21-,23+,24+,25
    +/m1/s1;
    FRACPXUHUTXLCX-VZVHPENPSA-N    		 CC(C)(C)OC(=O)NC1=CC=CN([C@@H](CC2CC2)C(
    =O)N[C@@H](C[C@H]3CCNC3=O)[C@H](O)C(=O)N
    Cc4ccccc4)C1=O; CC(C)(C)OC(=O)NC1=CC=CN(
    C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@H]3C
    CNC3=O)[C@@H](C(=O)NCc4ccccc4)O; CC(C)(C
    )OC(=O)NC1=CC=CN(C1=O)C(CC2CC2)C(=O)NC(C
    C3CCNC3=O)C(C(=O)NCc4ccccc4)O; CC(C)(C)O
    C(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[
    CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C1=O    		 ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate;
    (S,S,R)-13b;
    ketoamide inhibitor 13b (bound)
    39167 UAY 2 C13 H8 N2 O2 S InChI=1S/C13H8N2O2S/c14-1
    0-11-8(12(16)15-13(10)17)
    6-9(18-11)7-4-2-1-3-5-7/h
    1-6,14H,(H,15,16,17)/b14-
    10-;
    CQHAROORCYWRRH-UVTDQMKNSA-N    		 N=C1C(=O)NC(=O)c2cc(sc12)c3ccccc3; c1ccc
    (cc1)c2cc3c(s2)C(=N)C(=O)NC3=O; [H]/N=C\
    1/c2c(cc(s2)c3ccccc3)C(=O)NC1=O; c1(cccc
    c1)c3sc\2c(C(NC(C/2=N)=O)=O)c3    		 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione
    39168 UAZ
    ZINC000000397525    		 1 C14 H20 N2 O2 InChI=1S/C14H20N2O2/c1-11
    -7-9-16(10-8-11)14(17)15-
    12-3-5-13(18-2)6-4-12/h3-
    6,11H,7-10H2,1-2H3,(H,15,
    17);
    YJMGSVPGOIBYHC-UHFFFAOYSA-N    		 CC1CCN(CC1)C(=O)Nc2ccc(cc2)OC; COc1ccc(N
    C(=O)N2CCC(C)CC2)cc1    		 ~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
    39169 UB0 2 C46 H49 Cl N6 O12 S2 InChI=1S/C46H49ClN6O12S2/
    c1-46(2)22-32(48-31-8-4-6
    -29(20-31)41-39(47)40(64-
    24-38(56)57)42(66-41)44(5
    9)60)15-18-52(46)67(62,63
    )25-26-5-3-7-30(19-26)49-
    37(55)23-51-16-13-27(14-1
    7-51)28-9-10-33-35(21-28)
    65-45(61)53(33)34-11-12-3
    6(54)50-43(34)58/h3-10,19
    -21,27,32,34,48H,11-18,22
    -25H2,1-2H3,(H,49,55)(H,5
    6,57)(H,59,60)(H,50,54,58
    )/t32-,34+/m0/s1;
    XIVCTXQEWAGEQY-UZNNEEJFSA-N    		 CC1(C)C[C@H](CCN1[S](=O)(=O)Cc2cccc(NC(=
    O)CN3CCC(CC3)c4ccc5N([C@@H]6CCC(=O)NC6=O
    )C(=O)Oc5c4)c2)Nc7cccc(c7)c8sc(C(O)=O)c(
    OCC(O)=O)c8Cl; O=C1NC(=O)CCC1N1c2ccc(cc2
    OC1=O)C1CCN(CC1)CC(=O)Nc1cccc(c1)CS(=O)(
    =O)N1CCC(CC1(C)C)Nc1cccc(c1)c1sc(c(OCC(=
    O)O)c1Cl)C(=O)O; CC1(C[C@H](CCN1S(=O)(=O
    )Cc2cccc(c2)NC(=O)CN3CCC(CC3)c4ccc5c(c4)
    OC(=O)N5[C@@H]6CCC(=O)NC6=O)Nc7cccc(c7)c
    8c(c(c(s8)C(=O)O)OCC(=O)O)Cl)C; CC1(C)C[
    CH](CCN1[S](=O)(=O)Cc2cccc(NC(=O)CN3CCC(
    CC3)c4ccc5N([CH]6CCC(=O)NC6=O)C(=O)Oc5c4
    )c2)Nc7cccc(c7)c8sc(C(O)=O)c(OCC(O)=O)c8
    Cl; CC1(CC(CCN1S(=O)(=O)Cc2cccc(c2)NC(=O
    )CN3CCC(CC3)c4ccc5c(c4)OC(=O)N5C6CCC(=O)
    NC6=O)Nc7cccc(c7)c8c(c(c(s8)C(=O)O)OCC(=
    O)O)Cl)C    		 (5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid
    39170 UB1
    CHEMBL220822
    ZINC000035323756    		 2 C14 H13 Br2 N3 O6 S InChI=1S/C14H13Br2N3O6S/c
    1-5-2-18(4-7(17)12(21)22)
    14(25)19(11(5)20)3-6-8(15
    )10(16)26-9(6)13(23)24/h2
    ,7H,3-4,17H2,1H3,(H,21,22
    )(H,23,24)/t7-/m0/s1;
    VDFYFXPYXBDMBE-ZETCQYMHSA-N    		 CC1=CN(C(=O)N(C1=O)Cc2c(c(sc2C(=O)O)Br)B
    r)C[C@@H](C(=O)O)N; CC1=CN(C(=O)N(C1=O)C
    c2c(c(sc2C(=O)O)Br)Br)CC(C(=O)O)N; CC1=C
    N(C[CH](N)C(O)=O)C(=O)N(Cc2c(Br)c(Br)sc2
    C(O)=O)C1=O; CC1=CN(C[C@H](N)C(O)=O)C(=O
    )N(Cc2c(Br)c(Br)sc2C(O)=O)C1=O; Brc1c(c(
    sc1Br)C(=O)O)CN2C(=O)C(=CN(C2=O)CC(C(=O)
    O)N)C    		 3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)-4,5-dibromothiophene-2-carboxylic acid
    39171 UB2
    CHEMBL1236532
    ZINC000058655594    		 1 C18 H28 N3 O7 P InChI=1S/C18H28N3O7P/c1-1
    2(2)9-15(17(23)24)20-16(2
    2)13(3)21-29(26,27)11-19-
    18(25)28-10-14-7-5-4-6-8-
    14/h4-8,12-13,15H,9-11H2,
    1-3H3,(H,19,25)(H,20,22)(
    H,23,24)(H2,21,26,27)/t13
    -,15-/m0/s1;
    RFIATXCLWWIOFV-ZFWWWQNUSA-N    		 CC(C)C[C@H](NC(=O)[C@H](C)N[P@](O)(=O)CN
    C(=O)OCc1ccccc1)C(O)=O; CC(C)CC(C(=O)O)N
    C(=O)C(C)NP(=O)(CNC(=O)OCc1ccccc1)O; CC(
    C)C[C@@H](C(=O)O)NC(=O)[C@H](C)N[P@](=O)
    (CNC(=O)OCc1ccccc1)O; CC(C)C[CH](NC(=O)[
    CH](C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=
    O; O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1c
    cccc1)C)CC(C)C    		 N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-alanyl-L-leucine
    39172 UB3
    ZINC000058660496    		 1 C20 H32 N3 O7 P InChI=1S/C20H32N3O7P/c1-1
    3(2)10-16(19(25)26)22-18(
    24)17(14(3)4)23-31(28,29)
    12-21-20(27)30-11-15-8-6-
    5-7-9-15/h5-9,13-14,16-17
    H,10-12H2,1-4H3,(H,21,27)
    (H,22,24)(H,25,26)(H2,23,
    28,29)/t16-,17-/m0/s1;
    NFEZDCCCWWWKAJ-IRXDYDNUSA-N    		 O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1cccc
    c1)C(C)C)CC(C)C; CC(C)C[C@H](NC(=O)[C@@H
    ](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(C)C)C(O
    )=O; CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C
    )C)N[P@](=O)(CNC(=O)OCc1ccccc1)O; CC(C)C
    [CH](NC(=O)[CH](N[P](O)(=O)CNC(=O)OCc1cc
    ccc1)C(C)C)C(O)=O; CC(C)CC(C(=O)O)NC(=O)
    C(C(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O    		 N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-valyl-L-leucine
    39173 UB4 0 C11 H12 N2 O2 S InChI=1S/C11H12N2O2S/c12-
    7(11(14)15)5-6-10-13-8-3-
    1-2-4-9(8)16-10/h1-4,7H,5
    -6,12H2,(H,14,15)/t7-/m0/
    s1;
    QGQYYZFCDVMFIU-ZETCQYMHSA-N    		 c1ccc2c(c1)nc(s2)CCC(C(=O)O)N; N[CH](CCc
    1sc2ccccc2n1)C(O)=O; C(O)(C(CCc2nc1ccccc
    1s2)N)=O; c1ccc2c(c1)nc(s2)CC[C@@H](C(=O
    )O)N; N[C@@H](CCc1sc2ccccc2n1)C(O)=O    		 (2S)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid
    39174 UB5 1 C12 H24 N2 O InChI=1S/C12H24N2O/c1-3-4
    -5-8-13-12(15)14-9-6-11(2
    )7-10-14/h11H,3-10H2,1-2H
    3,(H,13,15);
    ZVWQTTCMILVTNG-UHFFFAOYSA-N    		 CCCCCNC(=O)N1CCC(CC1)C; CCCCCNC(=O)N1CCC
    (C)CC1    		 4-methyl-~{N}-pentyl-piperidine-1-carboxamide
    39175 UB6 1 C27 H32 N6 O3 S InChI=1S/C27H32N6O3S/c1-5
    -21(34)30-17-7-6-8-18(17)
    31-25(35)24-23-22-19(9-10
    -28-26(22)37-24)33(27(36)
    32-23)20-13-29-16(11-14(2
    )3)12-15(20)4/h9-10,12-14
    ,17-18H,5-8,11H2,1-4H3,(H
    ,30,34)(H,31,35)(H,32,36)
    /t17-,18+/m0/s1;
    KBWVWXCEDLZVBM-ZWKOTPCHSA-N    		 CCC(=O)N[C@H]1CCC[C@H]1NC(=O)c2c3c4c(ccn
    c4s2)N(C(=O)N3)c5cnc(cc5C)CC(C)C; CCC(=O
    )NC1CCCC1NC(=O)c2c3c4c(ccnc4s2)N(C(=O)N3
    )c5cnc(cc5C)CC(C)C; CCC(=O)NC1CCCC1NC(=O
    )c1sc2nccc3c2c1NC(=O)N3c1cnc(CC(C)C)cc1C
    ; CCC(=O)N[C@H]1CCC[C@H]1NC(=O)c2sc3nccc
    4N(C(=O)Nc2c34)c5cnc(CC(C)C)cc5C; CCC(=O
    )N[CH]1CCC[CH]1NC(=O)c2sc3nccc4N(C(=O)Nc
    2c34)c5cnc(CC(C)C)cc5C    		 (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide
    39176 UB7
    CHEMBL1374420
    ZINC000012358714    		 15 C8 H6 O4 InChI=1S/C8H6O4/c9-7(10)5
    -1-2-6(4-3-5)8(11)12/h1-4
    H,(H,9,10)(H,11,12);
    KKEYFWRCBNTPAC-UHFFFAOYSA-N    		 c1c(ccc(c1)C(O)=O)C(=O)O; c1cc(ccc1C(=O)
    O)C(=O)O; OC(=O)c1ccc(cc1)C(O)=O    		 terephthalic acid;
    benzene-1,4-dicarboxylic acid
    39177 UB8 1 C15 H8 Cl3 N O2 InChI=1S/C15H8Cl3NO2/c16-
    9-4-2-1-3-7(9)13-8-5-10(1
    7)11(18)6-12(8)19-14(13)1
    5(20)21/h1-6,19H,(H,20,21
    );
    UMIQEJUGZXWUSH-UHFFFAOYSA-N    		 OC(=O)c1[nH]c2cc(Cl)c(Cl)cc2c1c3ccccc3Cl
    ; c1ccc(c(c1)c2c3cc(c(cc3[nH]c2C(=O)O)Cl
    )Cl)Cl; Clc1ccccc1c1c2cc(Cl)c(Cl)cc2[NH]
    c1C(=O)O    		 (3M)-5,6-dichloro-3-(2-chlorophenyl)-1H-indole-2-carboxylic acid
    39178 UB9 1 C9 H12 O3 InChI=1S/C9H12O3/c1-6-4-7
    (11-2)9(10)8(5-6)12-3/h4-
    5,10H,1-3H3;
    ZFBNNSOJNZBLLS-UHFFFAOYSA-N    		 Cc1cc(c(c(c1)OC)O)OC; COc1cc(C)cc(OC)c1O 2,6-dimethoxy-4-methylphenol
    39179 UBA
    CHEMBL373428
    ZINC000016052001    		 4 C14 H15 N3 O6 S InChI=1S/C14H15N3O6S/c1-7
    -4-16(6-9(15)12(19)20)14(
    23)17(11(7)18)5-8-2-3-24-
    10(8)13(21)22/h2-4,9H,5-6
    ,15H2,1H3,(H,19,20)(H,21,
    22)/t9-/m0/s1;
    ZTAZUCRXCRXNSU-VIFPVBQESA-N    		 CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)C[C@@H
    ](C(=O)O)N; CC1=CN(C[C@H](N)C(O)=O)C(=O)
    N(Cc2ccsc2C(O)=O)C1=O; CC1=CN(C[CH](N)C(
    O)=O)C(=O)N(Cc2ccsc2C(O)=O)C1=O; CC1=CN(
    C(=O)N(C1=O)Cc2ccsc2C(=O)O)CC(C(=O)O)N;
    O=C(O)C(N)CN1C(=O)N(C(=O)C(=C1)C)Cc2c(sc
    c2)C(=O)O    		 (S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-CARBOXYTHIOPHENE-3-YL-METHYL)-5-METHYLPYRIMIDINE-2,4-DIONE
    39180 UBB 0 C9 H13 N2 O7 P InChI=1S/C9H13N2O7P/c12-7
    -3-4-11(9(13)10-7)8-2-1-6
    (18-8)5-17-19(14,15)16/h3
    -4,6,8H,1-2,5H2,(H,10,12,
    13)(H2,14,15,16)/t6-,8+/m
    0/s1;
    YHPMDBWWRCBXNU-POYBYMJQSA-N    		 O[P](O)(=O)OC[C@@H]1CC[C@@H](O1)N2C=CC(=
    O)NC2=O; C1CC(OC1COP(=O)(O)O)N2C=CC(=O)N
    C2=O; C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=
    CC(=O)NC2=O; O=C1NC(=O)N(C=C1)C2OC(CC2)C
    OP(=O)(O)O; O[P](O)(=O)OC[CH]1CC[CH](O1)
    N2C=CC(=O)NC2=O    		 2',3'-DIDEOXY-URIDINE-5'-MONOPHOSPHATE
    39181 UBC
    CHEMBL372797
    ZINC000003996041    		 2 C15 H15 N3 O6 InChI=1S/C15H15N3O6/c16-1
    1(14(22)23)8-17-6-5-12(19
    )18(15(17)24)7-9-3-1-2-4-
    10(9)13(20)21/h1-6,11H,7-
    8,16H2,(H,20,21)(H,22,23)
    /t11-/m0/s1;
    UUIYULWYHDSXHL-NSHDSACASA-N    		 c1ccc(c(c1)CN2C(=O)C=CN(C2=O)C[C@@H](C(=
    O)O)N)C(=O)O; c1ccc(c(c1)CN2C(=O)C=CN(C2
    =O)CC(C(=O)O)N)C(=O)O; O=C(O)c1ccccc1CN2
    C(=O)C=CN(C2=O)CC(N)C(=O)O; N[C@@H](CN1C
    =CC(=O)N(Cc2ccccc2C(O)=O)C1=O)C(O)=O; N[
    CH](CN1C=CC(=O)N(Cc2ccccc2C(O)=O)C1=O)C(
    O)=O    		 (S)-1-(2-AMINO-2-CARBOXYETHYL)-3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-DIONE
    39182 UBD
    ZINC000098209486    		 3 C9 H14 N2 O12 P2 InChI=1S/C9H14N2O12P2/c12
    -5-1-2-11(9(14)10-5)8-6(1
    3)7(23-25(18,19)20)4(22-8
    )3-21-24(15,16)17/h1-2,4,
    6-8,13H,3H2,(H,10,12,14)(
    H2,15,16,17)(H2,18,19,20)
    /t4-,6-,7-,8-/m1/s1;
    ZPVPRWPOZBXDKD-XVFCMESISA-N    		 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)COP(=O)(O)O)OP(=O)(O)O)O; O[C@@H]1
    [C@H](O[P](O)(O)=O)[C@@H](CO[P](O)(O)=O)
    O[C@H]1N2C=CC(=O)NC2=O; O=C1NC(=O)N(C=C1
    )C2OC(C(OP(=O)(O)O)C2O)COP(=O)(O)O; C1=C
    N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=
    O)(O)O)O; O[CH]1[CH](O[P](O)(O)=O)[CH](C
    O[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O    		 URIDINE 3',5'-BIS(DIHYDROGEN PHOSPHATE)
    39183 UBE
    CHEMBL373429
    ZINC000035324127    		 2 C20 H19 N3 O6 S InChI=1S/C20H19N3O6S/c1-1
    1-8-22(10-14(21)18(25)26)
    20(29)23(17(11)24)9-13-7-
    15(30-16(13)19(27)28)12-5
    -3-2-4-6-12/h2-8,14H,9-10
    ,21H2,1H3,(H,25,26)(H,27,
    28)/t14-/m0/s1;
    LCZDCKMQSBGXAH-AWEZNQCLSA-N    		 CC1=CN(C[C@H](N)C(O)=O)C(=O)N(Cc2cc(sc2C
    (O)=O)c3ccccc3)C1=O; O=C(O)c1sc(cc1CN2C(
    =O)C(=CN(C2=O)CC(C(=O)O)N)C)c3ccccc3; CC
    1=CN(C(=O)N(C1=O)Cc2cc(sc2C(=O)O)c3ccccc
    3)C[C@@H](C(=O)O)N; CC1=CN(C[CH](N)C(O)=
    O)C(=O)N(Cc2cc(sc2C(O)=O)c3ccccc3)C1=O;
    CC1=CN(C(=O)N(C1=O)Cc2cc(sc2C(=O)O)c3ccc
    cc3)CC(C(=O)O)N    		 3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)-5-phenylthiophene-2-carboxylic acid
    39184 UBF
    CHEMBL221321
    ZINC000035323735    		 2 C13 H12 Br N3 O6 S InChI=1S/C13H12BrN3O6S/c1
    4-7-4-16(5-8(15)11(19)20)
    13(23)17(10(7)18)3-6-1-2-
    24-9(6)12(21)22/h1-2,4,8H
    ,3,5,15H2,(H,19,20)(H,21,
    22)/t8-/m0/s1;
    KKTBJRLDYITGOV-QMMMGPOBSA-N    		 N[C@@H](CN1C=C(Br)C(=O)N(Cc2ccsc2C(O)=O)
    C1=O)C(O)=O; c1csc(c1CN2C(=O)C(=CN(C2=O)
    C[C@@H](C(=O)O)N)Br)C(=O)O; O=C(O)C(N)CN
    1C(=O)N(C(=O)C(Br)=C1)Cc2c(scc2)C(=O)O;
    N[CH](CN1C=C(Br)C(=O)N(Cc2ccsc2C(O)=O)C1
    =O)C(O)=O; c1csc(c1CN2C(=O)C(=CN(C2=O)CC
    (C(=O)O)N)Br)C(=O)O    		 3-({3-[(2S)-2-amino-2-carboxyethyl]-5-bromo-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)thiophene-2-carboxylic acid
    39185 UBG 3 C27 H34 N9 O18 P3 InChI=1S/C27H34N9O18P3/c1
    -10-3-12-13(4-11(10)2)35(
    24-18(32-12)25(41)34-27(4
    2)33-24)5-14(37)19(39)15(
    38)6-50-56(46,47)54-57(48
    ,49)51-7-16-21(53-55(43,4
    4)45)20(40)26(52-16)36-9-
    31-17-22(28)29-8-30-23(17
    )36/h3-4,8-9,14-16,19-21,
    26,37-40H,5-7H2,1-2H3,(H,
    46,47)(H,48,49)(H2,28,29,
    30)(H,34,41,42)(H2,43,44,
    45)/t14-,15+,16+,19-,20+,
    21+,26+/m0/s1;
    QOJVPCDYXUQNMD-UYBVJOGSSA-N    		 Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H
    ](O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@
    H]4O[C@H]([C@H](O)[C@@H]4O[P](O)(O)=O)n5
    cnc6c(N)ncnc56)c2cc1C; Cc1cc2c(cc1C)N(C3
    =NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=
    O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)OP(=O
    )(O)O)O)O)O; Cc1cc2c(cc1C)N(C3=NC(=O)NC(
    =O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O
    )OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4
    )n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O)O; Cc1c
    c2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[C
    H](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]
    ([CH](O)[CH]4O[P](O)(O)=O)n5cnc6c(N)ncnc
    56)c2cc1C; P(O)(OP(OCC(C(C(CN2c3c(N=C1C(
    NC(N=C12)=O)=O)cc(c(C)c3)C)O)O)O)(O)=O)(
    =O)OCC4OC(C(C4OP(=O)(O)O)O)n5c6c(nc5)c(N
    )ncn6    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
    39186 UBH
    ZINC000002043151    		 2 C7 H14 O5 InChI=1S/C7H14O5/c1-3-4(8
    )6(11-2)5(9)7(10)12-3/h3-
    10H,1-2H3/t3-,4-,5+,6+,7+
    /m1/s1;
    OEKPKBBXXDGXNB-VEIUFWFVSA-N    		 C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O
    )OC)O; CC1C(C(C(C(O1)O)O)OC)O; CO[C@H]1[
    C@H](O)[C@@H](C)O[C@H](O)[C@H]1O; OC1C(O
    C)C(O)C(C)OC1O; CO[CH]1[CH](O)[CH](C)O[C
    H](O)[CH]1O    		 3-O-methyl-alpha-D-rhamnopyranose;
    6-deoxy-3-O-methyl-alpha-D-mannopyranose
    39187 UBI
    ZINC000098209487    		 0 C14 H22 N3 O9 P InChI=1S/C14H22N3O9P/c1-7
    (2)4-15-12(19)8-5-17(14(2
    1)16-13(8)20)11-3-9(18)10
    (26-11)6-25-27(22,23)24/h
    5,7,9-11,18H,3-4,6H2,1-2H
    3,(H,15,19)(H,16,20,21)(H
    2,22,23,24)/t9-,10+,11+/m
    0/s1;
    MVIGTWKPLCSGIV-HBNTYKKESA-N    		 CC(C)CNC(=O)C1=CN(C(=O)NC1=O)[C@H]2C[C@@
    H]([C@H](O2)COP(=O)(O)O)O; O=P(O)(O)OCC2
    OC(N1C(=O)NC(=O)C(C(=O)NCC(C)C)=C1)CC2O;
    CC(C)CNC(=O)C1=CN([C@H]2C[C@H](O)[C@@H]
    (CO[P](O)(O)=O)O2)C(=O)NC1=O; CC(C)CNC(=
    O)C1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O
    )O; CC(C)CNC(=O)C1=CN([CH]2C[CH](O)[CH](
    CO[P](O)(O)=O)O2)C(=O)NC1=O    		 2'-deoxy-5-[(2-methylpropyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
    39188 UBK 1 C35 H41 N3 O8 S InChI=1S/C35H41N3O8S/c1-3
    5(2)34(42)36-31(29-12-8-1
    8-47-29)32(40)38-17-6-5-1
    1-25(38)33(41)46-26(15-13
    -22-14-16-27(43-3)28(19-2
    2)44-4)23-9-7-10-24(20-23
    )45-21-30(39)37-35/h7-10,
    12,14,16,18-20,25-26,31H,
    5-6,11,13,15,17,21H2,1-4H
    3,(H,36,42)(H,37,39)/t25-
    ,26+,31+/m0/s1;
    UGPRMAAAPBGSML-ADRXYBOHSA-N    		 CC1(C(=O)NC(C(=O)N2CCCCC2C(=O)OC(c3cccc(
    c3)OCC(=O)N1)CCc4ccc(c(c4)OC)OC)c5cccs5)
    C; COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(
    =O)[C@H](NC(=O)C(C)(C)NC(=O)COc4cccc2c4)
    c5sccc5)cc1OC; COc1ccc(CC[CH]2OC(=O)[CH]
    3CCCCN3C(=O)[CH](NC(=O)C(C)(C)NC(=O)COc4
    cccc2c4)c5sccc5)cc1OC; CC1(C(=O)N[C@@H](
    C(=O)N2CCCC[C@H]2C(=O)O[C@@H](c3cccc(c3)
    OCC(=O)N1)CCc4ccc(c(c4)OC)OC)c5cccs5)C    		 (2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
    39189 UBL
    CHEMBL117021
    ZINC000008860530    		 2 C21 H41 O7 P InChI=1S/C21H41O7P/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-16-17-21(23)27-18-2
    0(22)19-28-29(24,25)26/h9
    -10,20,22H,2-8,11-19H2,1H
    3,(H2,24,25,26)/b10-9-/t2
    0-/m1/s1;
    WRGQSWVCFNIUNZ-GDCKJWNLSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O
    ; CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=
    O)(O)O)O; CCCCCCCCC=CCCCCCCCC(=O)OC[CH](
    O)CO[P](O)(O)=O; CCCCCCCC\C=C/CCCCCCCC(=
    O)OC[C@@H](O)CO[P](O)(O)=O    		 [(2R)-2-oxidanyl-3-phosphonooxy-propyl] (Z)-octadec-9-enoate
    39190 UBM 1 C39 H50 N7 O24 P InChI=1S/C39H50N7O24P/c1-
    16(70-71(67,68)69-15-26(4
    9)31(55)25(48)14-46-24-13
    -18(47)3-2-17(24)12-19-32
    (46)44-39(66)45-34(19)57)
    33(56)43-23(38(64)65)6-10
    -29(52)41-21(36(60)61)4-8
    -27(50)40-20(35(58)59)5-9
    -28(51)42-22(37(62)63)7-1
    1-30(53)54/h2-3,12-13,16,
    20-23,25-26,31,47-49,55H,
    4-11,14-15H2,1H3,(H,40,50
    )(H,41,52)(H,42,51)(H,43,
    56)(H,53,54)(H,58,59)(H,6
    0,61)(H,62,63)(H,64,65)(H
    ,67,68)(H,45,57,66)/t16-,
    20-,21-,22-,23-,25-,26+,3
    1-/m0/s1;
    HYGZFZXLFYAPGM-DKJXVAHLSA-N    		 C1(NC(=O)N=C3C1=Cc2ccc(cc2N3CC(C(C(COP(=
    O)(O)OC(C)C(NC(C(=O)O)CCC(NC(C(O)=O)CCC(
    NC(C(=O)O)CCC(NC(C(O)=O)CCC(O)=O)=O)=O)=
    O)=O)O)O)O)O)=O; C[CH](O[P](O)(=O)OC[CH]
    (O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)
    NC(=O)N=C13)C(=O)N[CH](CCC(=O)N[CH](CCC(
    =O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(
    O)=O)C(O)=O)C(O)=O; CC(C(=O)NC(CCC(=O)NC
    (CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=
    O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1c2
    cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O; C[C@H
    ](O[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](
    O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13)C(=
    O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](
    CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(
    O)=O)C(O)=O; C[C@@H](C(=O)N[C@@H](CCC(=O
    )N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](C
    CC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=
    O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C
    3C1=NC(=O)NC3=O)O)O)O)O    		 COENZYME F420-4;
    (2~{S})-2-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanyl idene-4-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[8-oxidanyl-2,4-bis(oxidanylidene)-1~{H}-pyrim ido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanedi oic acid
    39191 UBN 1 C15 H30 N2 O InChI=1S/C15H30N2O/c1-3-4
    -5-6-7-8-11-16-15(18)17-1
    2-9-14(2)10-13-17/h14H,3-
    13H2,1-2H3,(H,16,18);
    HAWIGYZAJFCXMR-UHFFFAOYSA-N    		 CCCCCCCCNC(=O)N1CCC(CC1)C; CCCCCCCCNC(=O
    )N1CCC(C)CC1    		 4-methyl-~{N}-[(~{E})-oct-5-enyl]piperidine-1-carboxamide
    39192 UBO
    ZINC000001532677    		 2 C6 H12 O5 InChI=1S/C6H12O5/c1-2-3(7
    )4(8)5(9)6(10)11-2/h2-10H
    ,1H3/t2-,3-,4+,5+,6-/m1/s
    1;
    SHZGCJCMOBCMKK-RWOPYEJCSA-N    		 C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)
    O)O)O; OC1C(O)C(C)OC(O)C1O; C[C@H]1O[C@@
    H](O)[C@@H](O)[C@@H](O)[C@@H]1O; CC1C(C(
    C(C(O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH
    ](O)[CH]1O    		 beta-D-rhamnopyranose;
    6-deoxy-beta-D-mannopyranose
    39193 UBP
    CHEMBL200737
    ZINC000013677278    		 4 C10 H13 N3 O6 InChI=1S/C10H13N3O6/c11-6
    (9(17)18)5-12-3-1-7(14)13
    (10(12)19)4-2-8(15)16/h1,
    3,6H,2,4-5,11H2,(H,15,16)
    (H,17,18)/t6-/m0/s1;
    CNWDQZBURPNJRN-LURJTMIESA-N    		 N[CH](CN1C=CC(=O)N(CCC(O)=O)C1=O)C(O)=O;
    O=C(O)C(N)CN1C=CC(=O)N(C1=O)CCC(=O)O; N
    [C@@H](CN1C=CC(=O)N(CCC(O)=O)C1=O)C(O)=O
    ; C1=CN(C(=O)N(C1=O)CCC(=O)O)CC(C(=O)O)N
    ; C1=CN(C(=O)N(C1=O)CCC(=O)O)C[C@@H](C(=
    O)O)N    		 3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-L-alanine;
    (S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)pyrimidine-2,4-dione
    39194 UBQ 1 C18 H36 N2 O InChI=1S/C18H36N2O/c1-3-4
    -5-6-7-8-9-10-11-14-19-18
    (21)20-15-12-17(2)13-16-2
    0/h17H,3-16H2,1-2H3,(H,19
    ,21)/p+1;
    SYMUTLCUVXEJOU-UHFFFAOYSA-O    		 CCCCCCCCCCCNC(=O)[N+]1CCC(C)CC1; CCCCCCC
    CCCCNC(=O)[N+]1CCC(CC1)C    		 4-methyl-~{N}-undecyl-pyridine-1-carboxamide
    39195 UBR 0 C9 H12 Br N2 O8 P InChI=1/C9H12BrN2O8P/c10-
    4-2-12(9(15)11-8(4)14)7-1
    -5(13)6(20-7)3-19-21(16,1
    7)18/h2,5-7,13H,1,3H2,(H,
    11,14,15)(H2,16,17,18)/t5
    -,6+,7+/m0/s1;
    		 BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O
    )(O)O; C1C(C(OC1N2C=C(C(=O)NC2=O)Br)COP(
    =O)(O)O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](
    O)(O)=O)N2C=C(Br)C(=O)NC2=O; C1[C@@H]([C
    @H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O
    )O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2
    C=C(Br)C(=O)NC2=O    		 5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate)
    39196 UBS
    CHEMBL3559183
    ZINC000098209488    		 1 C20 H32 N3 O7 P InChI=1S/C20H32N3O7P/c1-1
    3(2)10-16(18(24)22-17(14(
    3)4)19(25)26)23-31(28,29)
    12-21-20(27)30-11-15-8-6-
    5-7-9-15/h5-9,13-14,16-17
    H,10-12H2,1-4H3,(H,21,27)
    (H,22,24)(H,25,26)(H2,23,
    28,29)/t16-,17-/m0/s1;
    VYQPALSHFDHUJW-IRXDYDNUSA-N    		 CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NP(=O)(CNC(
    =O)OCc1ccccc1)O; CC(C)C[C@H](N[P](O)(=O)
    CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(O
    )=O; CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=
    O)O)NP(=O)(CNC(=O)OCc1ccccc1)O; O=C(O)C(
    NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)
    C)C(C)C; CC(C)C[CH](N[P](O)(=O)CNC(=O)OC
    c1ccccc1)C(=O)N[CH](C(C)C)C(O)=O    		 N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-valine
    39197 UBT
    CHEMBL2219858
    ZINC000013651480    		 1 C17 H26 N3 O7 P InChI=1S/C17H26N3O7P/c1-1
    2(2)8-14(16(23)18-9-15(21
    )22)20-28(25,26)11-19-17(
    24)27-10-13-6-4-3-5-7-13/
    h3-7,12,14H,8-11H2,1-2H3,
    (H,18,23)(H,19,24)(H,21,2
    2)(H2,20,25,26)/t14-/m0/s
    1;
    NGPZALJIIRWBPS-AWEZNQCLSA-N    		 CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)
    C(=O)NCC(O)=O; CC(C)C[C@H](N[P](O)(=O)CN
    C(=O)OCc1ccccc1)C(=O)NCC(O)=O; CC(C)C[C@
    @H](C(=O)NCC(=O)O)NP(=O)(CNC(=O)OCc1cccc
    c1)O; O=C(O)CNC(=O)C(NP(=O)(O)CNC(=O)OCc
    1ccccc1)CC(C)C; CC(C)CC(C(=O)NCC(=O)O)NP
    (=O)(CNC(=O)OCc1ccccc1)O    		 N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucylglycine
    39198 UBU
    CHEMBL2219861
    ZINC000095553314    		 1 C17 H28 N3 O5 P InChI=1S/C17H28N3O5P/c1-4
    -18-16(21)15(10-13(2)3)20
    -26(23,24)12-19-17(22)25-
    11-14-8-6-5-7-9-14/h5-9,1
    3,15H,4,10-12H2,1-3H3,(H,
    18,21)(H,19,22)(H2,20,23,
    24)/t15-/m0/s1;
    AYDYEZVQGYFZKJ-HNNXBMFYSA-N    		 CCNC(=O)C(CC(C)C)NP(=O)(CNC(=O)OCc1ccccc
    1)O; CCNC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(
    =O)OCc1ccccc1; O=C(NCC)C(NP(=O)(O)CNC(=O
    )OCc1ccccc1)CC(C)C; CCNC(=O)[C@H](CC(C)C
    )NP(=O)(CNC(=O)OCc1ccccc1)O; CCNC(=O)[C@
    H](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1    		 N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-ethyl-L-leucinamide
    39199 UBV
    ZINC000098209489    		 1 C21 H34 N3 O7 P InChI=1S/C21H34N3O7P/c1-5
    -15(4)18(20(26)27)23-19(2
    5)17(11-14(2)3)24-32(29,3
    0)13-22-21(28)31-12-16-9-
    7-6-8-10-16/h6-10,14-15,1
    7-18H,5,11-13H2,1-4H3,(H,
    22,28)(H,23,25)(H,26,27)(
    H2,24,29,30)/t15-,17-,18-
    /m0/s1;
    WXJWRPSIWAFMIG-SZMVWBNQSA-N    		 CCC(C)C(C(=O)O)NC(=O)C(CC(C)C)NP(=O)(CNC
    (=O)OCc1ccccc1)O; CC[C@H](C)[C@@H](C(=O)
    O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1c
    cccc1)O; CC[C@H](C)[C@H](NC(=O)[C@H](CC(
    C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O;
    CC[CH](C)[CH](NC(=O)[CH](CC(C)C)N[P](O)
    (=O)CNC(=O)OCc1ccccc1)C(O)=O; O=C(O)C(NC
    (=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)
    C(C)CC    		 N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-isoleucine
    39200 UBW
    CHEMBL3558976
    ZINC000098209490    		 1 C20 H32 N3 O7 P InChI=1S/C20H32N3O7P/c1-4
    -8-16(19(25)26)22-18(24)1
    7(11-14(2)3)23-31(28,29)1
    3-21-20(27)30-12-15-9-6-5
    -7-10-15/h5-7,9-10,14,16-
    17H,4,8,11-13H2,1-3H3,(H,
    21,27)(H,22,24)(H,25,26)(
    H2,23,28,29)/t16-,17-/m0/
    s1;
    NARUKCIBPXPBKJ-IRXDYDNUSA-N    		 CCCC(C(=O)O)NC(=O)C(CC(C)C)NP(=O)(CNC(=O
    )OCc1ccccc1)O; CCC[C@@H](C(=O)O)NC(=O)[C
    @H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O; O
    =C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc
    1)CC(C)C)CCC; CCC[CH](NC(=O)[CH](CC(C)C)
    N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O; CCC
    [C@H](NC(=O)[C@H](CC(C)C)N[P](O)(=O)CNC(
    =O)OCc1ccccc1)C(O)=O    		 N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-norvaline
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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