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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    38601
    UJQ
    CHEMBL520
    ZINC000000078659    		 3 C14 H10 O3 InChI=1S/C14H10O3/c15-14(
    16)13-9-5-1-3-7-11(9)17-1
    2-8-4-2-6-10(12)13/h1-8,1
    3H,(H,15,16);
    VSBFNCXKYIEYIS-UHFFFAOYSA-N    		 c1ccc2c(c1)C(c3ccccc3O2)C(=O)O; OC(=O)C1
    c2ccccc2Oc3ccccc13    		 9~{H}-xanthene-9-carboxylic acid
    38602
    UJR    		 0 C7 H8 I N3 O S InChI=1S/C7H8IN3OS/c8-5-1
    -10-7(11-2-5)13-4-6(9)3-1
    2/h1-3,6H,4,9H2/t6-/m1/s1;
    MJAWREUUBHZDOO-ZCFIWIBFSA-N    		 c1c(cnc(n1)SC[C@@H](C=O)N)I; c1c(cnc(n1)
    SCC(C=O)N)I; N[CH](CSc1ncc(I)cn1)C=O; N[
    C@@H](CSc1ncc(I)cn1)C=O    		 (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal;
    arylated cysteine
    38603
    UJS    		 2 C24 H16 N2 O3 InChI=1S/C24H16N2O3/c27-2
    2-10-9-16(23(28)25-12-17-
    5-1-2-6-18(17)13-25)11-21
    (22)24(29)26-14-19-7-3-4-
    8-20(19)15-26/h1-15,27H;
    FQSLQNAXZJFWRX-UHFFFAOYSA-N    		 c3(c(ccc(C(=O)n1cc2c(c1)cccc2)c3)O)C(=O)
    n4cc5c(c4)cccc5; Oc1ccc(cc1C(=O)n2cc3ccc
    cc3c2)C(=O)n4cc5ccccc5c4; c1ccc2cn(cc2c1
    )C(=O)c3ccc(c(c3)C(=O)n4cc5ccccc5c4)O    		 (4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone]
    38604
    UJU
    CHEMBL4594376    		 1 C17 H22 N4 O2 InChI=1S/C17H22N4O2/c1-3-
    14-11(2)16(21-20-14)17(22
    )19-13-6-4-12(5-7-13)15-1
    0-18-8-9-23-15/h4-7,15,18
    H,3,8-10H2,1-2H3,(H,19,22
    )(H,20,21)/t15-/m1/s1;
    XHHXGKRFUPEPFM-OAHLLOKOSA-N    		 CCc1[nH]nc(C(=O)Nc2ccc(cc2)[C@H]3CNCCO3)
    c1C; CCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)C3CN
    CCO3)C; CCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)[
    C@H]3CNCCO3)C; CCc1[nH]nc(C(=O)Nc2ccc(cc
    2)[CH]3CNCCO3)c1C    		 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide;
    Ralmitaront
    38605
    UJV    		 2 C25 H17 F N2 O4 InChI=1S/C25H17FN2O4/c1-3
    2-19-7-5-16-11-27(13-18(1
    6)9-19)25(31)20-10-15(6-8
    -23(20)29)24(30)28-12-17-
    3-2-4-22(26)21(17)14-28/h
    2-14,29H,1H3;
    CNJHIRFLYFXCOH-UHFFFAOYSA-N    		 c1c5c(cn1C(c4ccc(O)c(C(=O)n2cc3c(c2)cc(c
    c3)OC)c4)=O)c(F)ccc5; COc1ccc2cn(cc2c1)C
    (=O)c3cc(ccc3O)C(=O)n4cc5cccc(c5c4)F; CO
    c1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc
    5cccc(F)c5c4    		 [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone
    38606
    UJW    		 1 C13 H15 N3 S InChI=1S/C13H15N3S/c14-7-
    6-11-10(8-12(17-11)13(15)
    16)9-4-2-1-3-5-9/h1-5,8H,
    6-7,14H2,(H3,15,16);
    KHPVBZDLURAJCV-UHFFFAOYSA-N    		 NCCc1sc(cc1c2ccccc2)C(N)=N; [H]/N=C(\c1c
    c(c(s1)CCN)c2ccccc2)/N; c1ccc(cc1)c2cc(s
    c2CCN)C(=N)N    		 5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide;
    5-(2-aminoethyl)-4-phenylthiophene-2-carboximidamide
    38607
    UJX    		 1 C19 H18 N2 O5 InChI=1S/C19H18N2O5/c1-3-
    25-19(24)17-16(12-5-4-8-2
    0-10-12)14-7-6-13(23)9-15
    (14)26-18(17)21-11(2)22/h
    4-10,16,23H,3H2,1-2H3,(H,
    21,22)/t16-/m0/s1;
    GGBHINRNYAAYMX-INIZCTEOSA-N    		 CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[C@@H]1
    c3cccnc3; CCOC(=O)C1=C(Oc2cc(ccc2C1c3ccc
    nc3)O)NC(=O)C; CCOC(=O)C1=C(Oc2cc(ccc2[C
    @@H]1c3cccnc3)O)NC(=O)C; CCOC(=O)C1=C(NC
    (C)=O)Oc2cc(O)ccc2[CH]1c3cccnc3    		 ethyl 2-acetamido-7-hydroxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate;
    ethyl (4S)-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4H-chromene-3-carboxylate;
    ethyl 2-(acetylamino)-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate
    38608
    UJY    		 2 C45 H37 N2 O4 P InChI=1S/C45H37N2O4P/c48-
    43-24-22-33(44(49)46-29-3
    4-13-10-11-14-35(34)30-46
    )28-42(43)45(50)47-31-36-
    21-23-38(27-37(36)32-47)5
    1-25-12-26-52(39-15-4-1-5
    -16-39,40-17-6-2-7-18-40)
    41-19-8-3-9-20-41/h1-11,1
    3-24,27-32,48,52H,12,25-2
    6H2;
    LKRQAENWLOVTOO-UHFFFAOYSA-N    		 Oc1ccc(cc1C(=O)n2cc3ccc(OCCC[PH](c4ccccc
    4)(c5ccccc5)c6ccccc6)cc3c2)C(=O)n7cc8ccc
    cc8c7; c1ccc(cc1)P(CCCOc2ccc3cn(cc3c2)C(
    =O)c4cc(ccc4O)C(=O)n5cc6ccccc6c5)(c7cccc
    c7)c8ccccc8; c1(cc(ccc1O)C(n3cc2c(cccc2)
    c3)=O)C(=O)n4cc5c(c4)cc(cc5)OCCCP(c6cccc
    c6)(c7ccccc7)c8ccccc8    		 [2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone
    38609
    UJZ
    ZINC000000090522    		 6 C8 H4 Br F3 N2 InChI=1S/C8H4BrF3N2/c9-5-
    1-4(8(10,11)12)2-6-7(5)14
    -3-13-6/h1-3H,(H,13,14);
    HYTQERQCUFICAX-UHFFFAOYSA-N    		 c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F; FC(F)(F)
    c1cc(Br)c2nc[nH]c2c1    		 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole
    38610
    UK0
    CHEMBL461615
    ZINC000028536305    		 1 C20 H28 O3 InChI=1S/C20H28O3/c1-14-7
    -10-20(3)16(18(21)22)5-4-
    6-17(20)19(14,2)11-8-15-9
    -12-23-13-15/h5,9,12-14,1
    7H,4,6-8,10-11H2,1-3H3,(H
    ,21,22)/t14-,17-,19+,20+/
    m1/s1;
    HHWOKJDCJVESIF-JBCDFXQESA-N    		 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(O)=O)[C@
    @]1(C)CCc3cocc3; CC1CCC2(C(C1(C)CCc3ccoc
    3)CCC=C2C(=O)O)C; C[C@@H]1CC[C@@]2([C@@H
    ]([C@@]1(C)CCc3ccoc3)CCC=C2C(=O)O)C; C[C
    H]1CC[C]2(C)[CH](CCC=C2C(O)=O)[C]1(C)CCc
    3cocc3    		 (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid
    38611
    UK1    		 1 C47 H49 F2 N11 O5 InChI=1S/C47H49F2N11O5/c1
    -8-9-37(42-51-45(62)65-53
    -42)59-34-11-10-30(55-18-
    19-64-47(5,6)25-55)22-29(
    34)23-38(59)44(61)56-15-1
    4-33-39(28(56)4)43(60(52-
    33)31-20-26(2)40(48)27(3)
    21-31)58-17-16-57(46(58)6
    3)36-13-12-35-32(41(36)49
    )24-50-54(35)7/h10-13,16-
    17,20-24,28,37H,8-9,14-15
    ,18-19,25H2,1-7H3,(H,51,5
    3,62)/t28-,37-/m0/s1;
    WUVYFHGOFAAJMK-AIJWEMPKSA-N    		 CCCC(C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=O)N4C
    Cc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=CN(C7=
    O)c8ccc9c(c8F)cnn9C)C4C)N1CCOC(C1)(C)C;
    CCC[C@@H](C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=
    O)N4CCc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=C
    N(C7=O)c8ccc9c(c8F)cnn9C)[C@@H]4C)N1CCOC
    (C1)(C)C; CCC[CH](n1c2ccc(cc2cc1C(=O)N3C
    Cc4nn(c5cc(C)c(F)c(C)c5)c(N6C=CN(C6=O)c7
    ccc8n(C)ncc8c7F)c4[CH]3C)N9CCOC(C)(C)C9)
    C%10=NOC(=O)N%10; c1(cc(cc(c1F)C)n7c(c2c
    (CCN(C2C)C(c5cc3c(ccc(c3)N4CCOC(C4)(C)C)
    n5C(CCC)C6=NOC(N6)=O)=O)n7)N8C=CN(C8=O)c
    9c(c%10c(cc9)n(C)nc%10)F)C; CCC[C@H](n1c
    2ccc(cc2cc1C(=O)N3CCc4nn(c5cc(C)c(F)c(C)
    c5)c(N6C=CN(C6=O)c7ccc8n(C)ncc8c7F)c4[C@
    @H]3C)N9CCOC(C)(C)C9)C%10=NOC(=O)N%10    		 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one
    38612
    UK2
    ZINC000169746924    		 13 C7 H8 B N O4 InChI=1S/C7H8BNO4/c1-5-2-
    3-6(8(10)11)4-7(5)9(12)13
    /h2-4,10-11H,1H3;
    OASVXBRTNVFKFS-UHFFFAOYSA-N    		 B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O; Cc1ccc
    (cc1[N+]([O-])=O)B(O)O    		 (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron
    38613
    UK3    		 0 C101 H135 F N16 O25 S InChI=1S/C101H135FN16O25S
    /c1-12-80-101(7)87(58(4)8
    2(124)56(2)47-79(139-10)8
    6(59(5)88(128)100(6,102)9
    8(137)141-80)142-97-85(12
    7)76(114(8)9)48-57(3)140-
    97)118(99(138)143-101)44-
    20-19-43-116-53-73(112-11
    3-116)61-25-21-26-63(50-6
    1)106-90(130)70(39-46-144
    -11)108-92(132)71(49-60-3
    5-37-64(120)38-36-60)110-
    91(131)69(31-15-16-40-103
    )109-94(134)75-32-24-45-1
    17(75)96(136)74(55-119)11
    1-93(133)72(51-62-52-105-
    68-30-14-13-27-65(62)68)1
    07-81(123)54-115(95(135)6
    7-29-23-34-78(122)84(67)1
    26)42-18-17-41-104-89(129
    )66-28-22-33-77(121)83(66
    )125/h13-14,21-23,25-30,3
    3-38,50,52-53,56-59,69-72
    ,74-76,79-80,85-87,97,105
    ,119-122,125-127H,12,15-2
    0,24,31-32,39-49,51,54-55
    ,103H2,1-11H3,(H,104,129)
    (H,106,130)(H,107,123)(H,
    108,132)(H,109,134)(H,110
    ,131)(H,111,133)/t56-,57-
    ,58+,59-,69-,70-,71-,72-,
    74-,75-,76+,79-,80-,85-,8
    6-,87-,97+,100+,101-/m1/s
    1;
    CELYJJFZBWFIMS-JTHPDSKOSA-N    		 CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)
    (C)F)C)OC3C(C(CC(O3)C)N(C)C)O)OC)C)C)N(C
    (=O)O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O)C(CC
    SC)NC(=O)C(Cc6ccc(cc6)O)NC(=O)C(CCCCN)NC
    (=O)C7CCCN7C(=O)C(CO)NC(=O)C(Cc8c[nH]c9c
    8cccc9)NC(=O)CN(CCCCNC(=O)c1cccc(c1O)O)C
    (=O)c1cccc(c1O)O)C; CC[C@@H]1[C@@]2([C@@
    H]([C@H](C(=O)[C@@H](C[C@H]([C@@H]([C@H]
    (C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H](
    [C@H](C[C@H](O3)C)N(C)C)O)OC)C)C)N(C(=O)
    O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O)[C@@H](C
    CSC)NC(=O)[C@@H](Cc6ccc(cc6)O)NC(=O)[C@@
    H](CCCCN)NC(=O)[C@H]7CCCN7C(=O)[C@@H](CO
    )NC(=O)[C@@H](Cc8c[nH]c9c8cccc9)NC(=O)CN
    (CCCCNC(=O)c1cccc(c1O)O)C(=O)c1cccc(c1O)
    O)C; CC[CH]1OC(=O)[C](C)(F)C(=O)[CH](C)[
    CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH
    ](C[CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cc(nn
    4)c5cccc(NC(=O)[CH](CCSC)NC(=O)[CH](Cc6c
    cc(O)cc6)NC(=O)[CH](CCCCN)NC(=O)[CH]7CCC
    N7C(=O)[CH](CO)NC(=O)[CH](Cc8c[nH]c9cccc
    c89)NC(=O)CN(CCCCNC(=O)c%10cccc(O)c%10O)
    C(=O)c%11cccc(O)c%11O)c5)C(=O)O[C]13C)OC
    ; CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)
    [C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)
    N(C)C)[C@@H](C[C@@H](C)C(=O)[C@H](C)[C@H
    ]3N(CCCCn4cc(nn4)c5cccc(NC(=O)[C@@H](CCS
    C)NC(=O)[C@@H](Cc6ccc(O)cc6)NC(=O)[C@@H]
    (CCCCN)NC(=O)[C@H]7CCCN7C(=O)[C@@H](CO)N
    C(=O)[C@@H](Cc8c[nH]c9ccccc89)NC(=O)CN(C
    CCCNC(=O)c%10cccc(O)c%10O)C(=O)c%11cccc(
    O)c%11O)c5)C(=O)O[C@]13C)OC    		 (2~{R})-~{N}-[(2~{R})-6-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[3-[1-[4-[(1~{S},2~{R},5~{S},7~{R},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5-fluoranyl-9-methoxy-1,5,7,11,13-pentamethyl-4,6,12,16-tetrakis(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]butyl]-1,2,3-triazol-4-yl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2~{R})-2-[[(2~{R})-2-[2-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]amino]ethanoylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxamide
    38614
    UK4
    CHEMBL4518483
    DB16043    		 4 C31 H30 F N5 O4 InChI=1S/C31H30FN5O4/c32-
    25-14-20(16-33)4-5-23(25)
    19-41-30-3-1-2-26(35-30)2
    1-8-11-36(12-9-21)18-29-3
    4-27-7-6-22(31(38)39)15-2
    8(27)37(29)17-24-10-13-40
    -24/h1-7,14-15,21,24H,8-1
    3,17-19H2,(H,38,39)/t24-/
    m0/s1;
    HYBAKUMPISVZQP-DEOSSOPVSA-N    		 OC(=O)c1ccc2nc(CN3CCC(CC3)c4cccc(OCc5ccc
    (cc5F)C#N)n4)n(C[CH]6CCO6)c2c1; c1cc(nc(
    c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(
    cc5n4CC6CCO6)C(=O)O; c1cc(nc(c1)OCc2ccc(
    cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4C[C@@H
    ]6CCO6)C(=O)O; OC(=O)c1ccc2nc(CN3CCC(CC3
    )c4cccc(OCc5ccc(cc5F)C#N)n4)n(C[C@@H]6CC
    O6)c2c1; C1OC(C1)Cn6c(CN4CCC(c3cccc(OCc2
    c(cc(cc2)C#N)F)n3)CC4)nc5c6cc(C(O)=O)cc5    		 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid
    38615
    UK5    		 1 C9 H7 N O2 InChI=1S/C9H7NO2/c11-9-5-
    6-10(12)8-4-2-1-3-7(8)9/h
    1-6,12H;
    AJTLULFWRGRNEZ-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)C=CN2O; ON1C=CC(=O)c2ccc
    cc12    		 1-oxidanylquinolin-4-one
    38616
    UK6    		 1 C20 H36 O2 InChI=1S/C20H36O2/c1-7-18
    (4,21)13-9-16-19(5)12-8-1
    1-17(2,3)15(19)10-14-20(1
    6,6)22/h7,15-16,21-22H,1,
    8-14H2,2-6H3/t15-,16+,18-
    ,19-,20+/m0/s1;
    XVULBTBTFGYVRC-HHUCQEJWSA-N    		 CC1(C)CCC[C]2(C)[CH]1CC[C](C)(O)[CH]2CC[
    C](C)(O)C=C; C[C@]12CCCC([C@@H]1CC[C@@](
    [C@@H]2CC[C@](C)(C=C)O)(C)O)(C)C; CC1(CC
    CC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C; CC1(C
    )CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2C
    C[C@@](C)(O)C=C    		 sclareol;
    (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3R)-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;
    (13R)-Labd-14-ene-8,13-diol
    38617
    UK7
    CHEMBL4546073    		 4 C18 H19 N3 O S InChI=1S/C18H19N3OS/c19-1
    0-12-4-5-15-16(11-21(6-7-
    22)17(15)8-12)13-2-1-3-14
    (9-13)18(20)23/h1-5,8-9,1
    1,22H,6-7,10,19H2,(H2,20,
    23);
    CIMSFIOQZTXZEP-UHFFFAOYSA-N    		 c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO
    ; C(=S)(N)c3cc(c2c1c(cc(cc1)CN)n(c2)CCO)
    ccc3; NCc1ccc2c(c1)n(CCO)cc2c3cccc(c3)C(
    N)=S    		 3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide
    38618
    UK8
    CHEMBL5180168    		 1 C21 H13 Cl F3 N3 O4 InChI=1S/C21H13ClF3N3O4/c
    22-16-3-1-2-15(21(23,24)2
    5)17(16)18-14(19(32-28-18
    )12-8-26-27-9-12)10-31-13
    -6-4-11(5-7-13)20(29)30/h
    1-9H,10H2,(H,26,27)(H,29,
    30);
    OPIGXBQPAXXYLU-UHFFFAOYSA-N    		 OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F
    )F)c4c[nH]nc4)cc1; c1cc(c(c(c1)Cl)c2c(c(
    on2)c3c[nH]nc3)COc4ccc(cc4)C(=O)O)C(F)(F
    )F    		 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
    38619
    UK9    		 3 C15 H10 O4 InChI=1S/C15H10O4/c16-11-
    7-6-10-12(17)8-13(19-15(1
    0)14(11)18)9-4-2-1-3-5-9/
    h1-8,16,18H;
    COCYGNDCWFKTMF-UHFFFAOYSA-N    		 c1ccc(cc1)C2=CC(=O)c3ccc(c(c3O2)O)O; Oc1
    ccc2C(=O)C=C(Oc2c1O)c3ccccc3    		 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one
    38620
    UKA
    CHEMBL1096896
    DB12691
    ZINC000095539256    		 5 C40 H47 N11 O6 InChI=1S/C40H47N11O6/c1-2
    -41-37(54)33-31(52)32(53)
    39(57-33)51-24-46-30-34(4
    5-23-28(25-11-5-3-6-12-25
    )26-13-7-4-8-14-26)48-35(
    49-36(30)51)38(55)43-19-2
    0-44-40(56)47-27-16-21-50
    (22-17-27)29-15-9-10-18-4
    2-29/h3-15,18,24,27-28,31
    -33,39,52-53H,2,16-17,19-
    23H2,1H3,(H,41,54)(H,43,5
    5)(H2,44,47,56)(H,45,48,4
    9)/t31-,32+,33-,39+/m0/s1;
    ZOTHAEBAWXWVID-HXEFRTELSA-N    		 CCNC(=O)C1C(C(C(O1)n2cnc3c2nc(nc3NCC(c4c
    cccc4)c5ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)
    c7ccccn7)O)O; CCNC(=O)[CH]1O[CH]([CH](O)
    [CH]1O)n2cnc3c(NCC(c4ccccc4)c5ccccc5)nc(
    nc23)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7;
    O=C(NC2CCN(c1ncccc1)CC2)NCCNC(=O)c3nc(c4
    ncn(c4n3)C5OC(C(=O)NCC)C(O)C5O)NCC(c6ccc
    cc6)c7ccccc7; CCNC(=O)[C@@H]1[C@H]([C@H]
    ([C@@H](O1)n2cnc3c2nc(nc3NCC(c4ccccc4)c5
    ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7
    )O)O; CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H
    ]1O)n2cnc3c(NCC(c4ccccc4)c5ccccc5)nc(nc2
    3)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7    		 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide
    38621
    UKB
    CHEMBL5177875    		 1 C22 H13 Cl F4 N2 O4 InChI=1S/C22H13ClF4N2O4/c
    23-16-3-1-2-15(22(25,26)2
    7)18(16)19-14(20(33-29-19
    )11-6-7-28-9-11)10-32-12-
    4-5-13(21(30)31)17(24)8-1
    2/h1-9,28H,10H2,(H,30,31);
    WKGLEAWUJDYKCF-UHFFFAOYSA-N    		 OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F
    )F)c4c[nH]cc4)cc1F; c1cc(c(c(c1)Cl)c2c(c
    (on2)c3cc[nH]c3)COc4ccc(c(c4)F)C(=O)O)C(
    F)(F)F    		 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid
    38622
    UKC
    CHEMBL42906
    ZINC000000005563    		 0 C17 H17 N5 O InChI=1S/C17H17N5O/c1-4-2
    1-15-12(6-5-9-18-15)16-19
    -10-11(2)22(16)13-7-8-14(
    23-3)20-17(13)21/h5-10H,4
    H2,1-3H3;
    WCIBELXOPRCLEG-UHFFFAOYSA-N    		 CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C;
    CCN1c2nc(OC)ccc2n3c(C)cnc3c4cccnc14; n3
    c(OC)ccc4n1c(ncc1C)c2cccnc2N(c34)CC    		 8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7,8,9-PENTAAZA-DIBENZO[E,H]AZULENE
    38623
    UKD    		 0 C5 H9 N4 O5 P InChI=1S/C5H9N4O5P/c6-3(5
    (10)11)1-9-2-4(7-8-9)15(1
    2,13)14/h2-3H,1,6H2,(H,10
    ,11)(H2,12,13,14)/t3-/m0/
    s1;
    ANOPRINJTAMRJE-VKHMYHEASA-N    		 c1c(nnn1CC(C(=O)O)N)P(=O)(O)O; c1c(nnn1C
    [C@@H](C(=O)O)N)P(=O)(O)O; N[C@@H](Cn1cc
    (nn1)[P](O)(O)=O)C(O)=O; OP(=O)(O)c1nnn(
    c1)CC(N)C(O)=O; N[CH](Cn1cc(nn1)[P](O)(O
    )=O)C(O)=O    		 3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine;
    pHis
    38624
    UKE
    ZINC000072338580    		 1 C9 H7 N O4 InChI=1S/C9H7NO4/c1-13-5-
    2-3-7-6(4-5)10-8(14-7)9(1
    1)12/h2-4H,1H3,(H,11,12);
    SNQUKJWKYRHONV-UHFFFAOYSA-N    		 COc1ccc2c(c1)nc(o2)C(=O)O; COc1ccc2oc(nc
    2c1)C(O)=O    		 5-methoxy-1,3-benzoxazole-2-carboxylic acid;
    5-Methoxybenzo[d]oxazole-2-carboxylic acid
    38625
    UKF    		 2 C24 H35 N5 O7 InChI=1S/C24H35N5O7/c30-1
    4-19-21(32)22(33)20(31)13
    -28(19)11-4-2-1-3-10-25-1
    7-9-8-16(12-18(17)29(34)3
    5)23-26-24(36-27-23)15-6-
    5-7-15/h8-9,12,15,19-22,2
    5,30-33H,1-7,10-11,13-14H
    2/t19-,20+,21-,22-/m1/s1;
    QTIHMFZOPONAII-CIAFKFPVSA-N    		 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC
    CCCCNc2ccc(cc2[N+]([O-])=O)c3noc(n3)C4CC
    C4; c1cc(c(cc1c2nc(on2)C3CCC3)[N+](=O)[O
    -])NCCCCCCN4CC(C(C(C4CO)O)O)O; OC[CH]1[C
    H](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2[N
    +]([O-])=O)c3noc(n3)C4CCC4; OCC1C(O)C(O)
    C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)c1nc
    (on1)C1CCC1; c1cc(c(cc1c2nc(on2)C3CCC3)[
    N+](=O)[O-])NCCCCCCN4C[C@@H]([C@H]([C@@H
    ]([C@H]4CO)O)O)O    		 (2R,3R,4R,5S)-1-(6-{[(4P)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
    38626
    UKG    		 2 C11 H7 Br Cl N5 O2 S2 InChI=1S/C11H7BrClN5O2S2/
    c12-8-5-9(21-10(8)13)22(1
    9,20)16-7-3-1-2-6(4-7)11-
    14-17-18-15-11/h1-5,16H,(
    H,14,15,17,18);
    LKCZAUKSYHEDJR-UHFFFAOYSA-N    		 Clc1sc(cc1Br)[S](=O)(=O)Nc2cccc(c2)c3[nH
    ]nnn3; c1cc(cc(c1)NS(=O)(=O)c2cc(c(s2)Cl
    )Br)c3[nH]nnn3    		 4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
    38627
    UKH
    CHEMBL91108
    ZINC000169743514    		 10 C6 H6 B N O4 InChI=1S/C6H6BNO4/c9-7(10
    )5-1-3-6(4-2-5)8(11)12/h1
    -4,9-10H;
    NSFJAFZHYOAMHL-UHFFFAOYSA-N    		 OB(O)c1ccc(cc1)[N+]([O-])=O; B(c1ccc(cc1
    )[N+](=O)[O-])(O)O    		 p-nitrophenylboronic acid;
    (4-nitrophenyl)boronic acid
    38628
    UKI    		 3 C24 H28 N6 O3 S InChI=1S/C24H28N6O3S/c1-1
    7-13-19-15-21(7-8-22(19)2
    7-17)33-23-9-10-25-24(29-
    23)28-20-6-4-5-18(14-20)1
    6-34(31,32)26-11-12-30(2)
    3/h4-10,13-15,26-27H,11-1
    2,16H2,1-3H3,(H,25,28,29);
    TTZSNFLLYPYKIL-UHFFFAOYSA-N    		 CN(C)CCN[S](=O)(=O)Cc1cccc(Nc2nccc(Oc3cc
    c4[nH]c(C)cc4c3)n2)c1; Cc1cc2cc(ccc2[nH]
    1)Oc3ccnc(n3)Nc4cccc(c4)CS(=O)(=O)NCCN(C
    )C    		 N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide;
    Sulfatinib
    38629
    UKJ    		 1 C13 H7 Br F3 N O5 S InChI=1S/C13H7BrF3NO5S/c1
    4-7-3-8(15)5-9(4-7)23-12-
    2-1-10(6-11(12)18(19)20)2
    4(21,22)13(16)17/h1-6,13H;
    DRYZYPGPBXQGKZ-UHFFFAOYSA-N    		 [O-][N+](c1c(ccc(c1)S(C(F)F)(=O)=O)Oc2cc
    (Br)cc(c2)F)=O; [O-][N+](=O)c1cc(ccc1Oc2
    cc(F)cc(Br)c2)[S](=O)(=O)C(F)F; c1cc(c(c
    c1S(=O)(=O)C(F)F)[N+](=O)[O-])Oc2cc(cc(c
    2)Br)F    		 1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene
    38630
    UKK
    ZINC000000158925    		 1 C11 H10 N2 O InChI=1S/C11H10N2O/c12-9-
    6-7-11(13-8-9)14-10-4-2-1
    -3-5-10/h1-8H,12H2;
    DETKIRMPBJPJRQ-UHFFFAOYSA-N    		 c1ccc(cc1)Oc2ccc(cn2)N; Nc1ccc(Oc2ccccc2
    )nc1    		 6-phenoxy-3-pyridinamine;
    6-phenoxypyridin-3-amine
    38631
    UKL    		 1 C37 H66 N7 O17 P3 S InChI=1S/C37H66N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-26(45)22-65-20-
    19-39-28(46)17-18-40-35(4
    9)32(48)37(2,3)23-58-64(5
    5,56)61-63(53,54)57-21-27
    -31(60-62(50,51)52)30(47)
    36(59-27)44-25-43-29-33(3
    8)41-24-42-34(29)44/h24-2
    5,27,30-32,36,47-48H,4-23
    H2,1-3H3,(H,39,46)(H,40,4
    9)(H,53,54)(H,55,56)(H2,3
    8,41,42)(H2,50,51,52)/t27
    -,30-,31-,32+,36-/m1/s1;
    IAOAEHHNNYJGNY-WOQKIVQTSA-N    		 CCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@
    H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C@
    H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2
    cnc3c(N)ncnc23; CCCCCCCCCCCCCCC(=O)CSCCN
    C(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)
    (O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(
    O)O; CCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=
    O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(
    O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCCC
    CCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(
    C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([
    C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O
    )O)O; CCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(
    =O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)
    OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2
    cnc3c(N)ncnc23    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxohexadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)
    38632
    UKM
    ZINC000006381313    		 2 C4 H10 O4 S InChI=1S/C4H10O4S/c1-2-3-
    4(5)9(6,7)8/h4-5H,2-3H2,1
    H3,(H,6,7,8)/t4-/m1/s1;
    KMBRJVMBQNMRDM-SCSAIBSYSA-N    		 CCC[C@H](O)[S](O)(=O)=O; CCC[CH](O)[S](O
    )(=O)=O; CCCC(O)S(=O)(=O)O; CCC[C@H](O)S
    (=O)(=O)O; C(CCC)(O)S(=O)(O)=O    		 (1R)-1-hydroxybutane-1-sulfonic acid
    38633
    UKN    		 1 C12 H8 Cl F N2 O4 InChI=1S/C12H8ClFN2O4/c13
    -7-3-1-6(2-4-7)5-20-11(18
    )9-8(14)10(17)16-12(19)15
    -9/h1-4H,5H2,(H2,15,16,17
    ,19);
    QEEOXIYGELWSIT-UHFFFAOYSA-N    		 FC1=C(NC(=O)NC1=O)C(=O)OCc2ccc(Cl)cc2; c
    1cc(ccc1COC(=O)C2=C(C(=O)NC(=O)N2)F)Cl;
    O=C1NC(C(=O)OCc2ccc(Cl)cc2)=C(F)C(=O)N1    		 (4-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
    38634
    UKO    		 2 C14 H18 N4 O3 S2 InChI=1S/C14H18N4O3S2/c15
    -13-10(3-1-7-16-23(20,21)
    11-5-6-11)9-18(14(19)17-1
    3)12-4-2-8-22-12/h9,11-12
    ,16H,2,4-8H2,(H2,15,17,19
    )/t12-/m1/s1;
    DXQFIQXYAWBCLC-GFCCVEGCSA-N    		 NC1=NC(=O)N(C=C1C#CCN[S](=O)(=O)C2CC2)[C
    H]3CCCS3; NC1=NC(=O)N(C=C1C#CCN[S](=O)(=
    O)C2CC2)[C@H]3CCCS3; C1C[C@@H](SC1)N2C=C
    (C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3; C1CC(SC
    1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3    		 ~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide
    38635
    UKP
    CHEMBL212616
    DB04172
    ZINC000014881108    		 1 C32 H48 N6 O4 S InChI=1S/C32H48N6O4S/c1-2
    0(2)25-18-26(21(3)4)30(27
    (19-25)22(5)6)43(41,42)36
    -28(17-23-8-7-9-24(16-23)
    31(34)35)32(40)38-14-12-3
    7(13-15-38)29(39)10-11-33
    /h7-9,16,18-22,28,36H,10-
    15,17,33H2,1-6H3,(H3,34,3
    5)/t28-/m0/s1;
    WATXEHGLYJKXOF-NDEPHWFRSA-N    		 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)[S](=O)(=O)
    N[C@@H](Cc2cccc(c2)C(N)=N)C(=O)N3CCN(CC3
    )C(=O)CCN; CC(C)c1cc(C(C)C)c(c(c1)C(C)C)
    [S](=O)(=O)N[CH](Cc2cccc(c2)C(N)=N)C(=O)
    N3CCN(CC3)C(=O)CCN; CC(C)c1cc(c(c(c1)C(C
    )C)S(=O)(=O)NC(Cc2cccc(c2)C(=N)N)C(=O)N3
    CCN(CC3)C(=O)CCN)C(C)C; O=C(N3CCN(C(=O)C
    (NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C
    c2cc(C(=[N@H])N)ccc2)CC3)CCN; CC(C)c1cc(
    c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2
    )C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C    		 [2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINYL]]-N'-BETA-ALANINYL-PIPERAZINE;
    [2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINE]]-PIPERAZINE-N'-BETA-ALANINE
    38636
    UKQ    		 1 C7 H12 O5 InChI=1S/C7H12O5/c8-1-2-3
    (9)4(10)5(11)7-6(2)12-7/h
    2-11H,1H2/t2-,3-,4+,5+,6+
    ,7-/m1/s1;
    YQLWKYQDOQEWRD-BYNCVWKDSA-N    		 OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12
    ; C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2[C
    @H]1O2)O)O)O)O; OC[C@@H]1[C@@H](O)[C@H](
    O)[C@H](O)[C@H]2O[C@@H]12; C(C1C(C(C(C2C
    1O2)O)O)O)O    		 (1R,6S)-5beta-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol;
    (1~{R},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol;
    epi-manno-cyclophellitol
    38637
    UKR
    CHEMBL5280882    		 6 C31 H40 F2 N2 O4 S InChI=1S/C31H40F2N2O4S/c3
    2-26-6-8-28(9-7-26)40(38,
    39)17-12-23-10-15-34(16-1
    1-23)19-25-20-35(22-31(30
    (36)37)13-1-2-14-31)21-29
    (25)24-4-3-5-27(33)18-24/
    h3-9,18,23,25,29H,1-2,10-
    17,19-22H2,(H,36,37)/t25-
    ,29+/m0/s1;
    JLKKIAYYHXNZIY-ABYGYWHVSA-N    		 Fc1ccc(cc1)S(=O)(=O)CCC1CCN(CC1)CC1CN(CC
    2(CCCC2)C(=O)O)CC1c1cccc(F)c1; OC(=O)C1(
    CCCC1)CN2C[CH](CN3CCC(CC3)CC[S](=O)(=O)c
    4ccc(F)cc4)[CH](C2)c5cccc(F)c5; c1cc(cc(
    c1)F)C2CN(CC2CN3CCC(CC3)CCS(=O)(=O)c4ccc
    (cc4)F)CC5(CCCC5)C(=O)O; c1cc(cc(c1)F)[C
    @H]2CN(C[C@@H]2CN3CCC(CC3)CCS(=O)(=O)c4c
    cc(cc4)F)CC5(CCCC5)C(=O)O; OC(=O)C1(CCCC
    1)CN2C[C@H](CN3CCC(CC3)CC[S](=O)(=O)c4cc
    c(F)cc4)[C@H](C2)c5cccc(F)c5    		 1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid
    38638
    UKS
    CHEMBL4876525    		 2 C20 H27 B N4 O4 InChI=1S/C20H27BN4O4/c1-2
    -7-16(24-20(27)17-14-22-1
    2-13-23-17)19(26)25-18(21
    (28)29)11-6-10-15-8-4-3-5
    -9-15/h3-5,8-9,12-14,16,1
    8,28-29H,2,6-7,10-11H2,1H
    3,(H,24,27)(H,25,26)/t16-
    ,18+/m1/s1;
    KSQVGVMZECCPAT-AEFFLSMTSA-N    		 CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CC
    Cc2ccccc2)B(O)O; B([C@H](CCCc1ccccc1)NC(
    =O)[C@@H](CCC)NC(=O)c2cnccn2)(O)O; CCC[C
    H](NC(=O)c1cnccn1)C(=O)N[CH](CCCc2ccccc2
    )B(O)O; B(C(CCCc1ccccc1)NC(=O)C(CCC)NC(=
    O)c2cnccn2)(O)O; C(CCC)(NC(c1cnccn1)=O)C
    (=O)NC(B(O)O)CCCc2ccccc2    		 [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid
    38639
    UKT    		 1 C7 H14 O5 InChI=1S/C7H14O5/c8-2-3-4
    (9)1-5(10)7(12)6(3)11/h3-
    12H,1-2H2/t3-,4+,5+,6+,7+
    /m0/s1;
    RRGKETGQYFXIFR-CQOGJGKDSA-N    		 OC[CH]1[CH](O)C[CH](O)[CH](O)[CH]1O; C1[
    C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO
    )O; C1C(C(C(C(C1O)O)O)CO)O; OC[C@H]1[C@H
    ](O)C[C@@H](O)[C@@H](O)[C@@H]1O    		 (1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol;
    (1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol
    38640
    UKU    		 2 C21 H34 N6 O16 P2 InChI=1S/C21H34N6O16P2/c1
    -7(2)12(30)15(33)19(34)26
    -45(38,39)42-10-3-8(29)20
    (41-10)27-6-24-11-17(22-5
    -23-18(11)27)25-44(36,37)
    43-16-14(32)13(31)9(4-28)
    40-21(16)35/h5-10,12-16,2
    0-21,28-33,35H,3-4H2,1-2H
    3,(H2,26,34,38,39)(H2,22,
    23,25,36,37)/t8-,9+,10+,1
    2-,13+,14-,15+,16+,20+,21
    -/m0/s1;
    KOMSNTWZRZGGEF-IPMHYPRDSA-N    		 CC(C)[CH](O)[CH](O)C(=O)N[P](O)(=O)O[CH]
    1C[CH](O)[CH](O1)n2cnc3c(N[P](O)(=O)O[CH
    ]4[CH](O)O[CH](CO)[CH](O)[CH]4O)ncnc23;
    CC(C)[C@H](O)[C@@H](O)C(=O)N[P](O)(=O)O[
    C@@H]1C[C@H](O)[C@@H](O1)n2cnc3c(N[P](O)
    (=O)O[C@H]4[C@@H](O)O[C@H](CO)[C@@H](O)[
    C@@H]4O)ncnc23; CC(C)[C@@H]([C@H](C(=O)N
    P(=O)(O)O[C@@H]1C[C@@H]([C@@H](O1)n2cnc3
    c2ncnc3NP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@
    H](O[C@@H]4O)CO)O)O)O)O)O; CC(C)C(C(C(=O
    )NP(=O)(O)OC1CC(C(O1)n2cnc3c2ncnc3NP(=O)
    (O)OC4C(C(C(OC4O)CO)O)O)O)O)O    		 [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid;
    Agrocin 84 (alpha-D-glucopyranose form)
    38641
    UKV
    CHEMBL402427
    ZINC000016989176    		 2 C11 H9 N O2 S2 InChI=1S/C11H9NO2S2/c1-14
    -8-4-2-3-7(5-8)6-9-10(13)
    12-11(15)16-9/h2-6H,1H3,(
    H,12,13,15)/b9-6-;
    ZXBRDIMYFRPBGK-TWGQIWQCSA-N    		 COc1cccc(c1)C=C2C(=O)NC(=S)S2; COc1cccc(
    c1)/C=C\2/C(=O)NC(=S)S2; COc2cccc([C@H]=
    C1C(NC(S1)=S)=O)c2; COc1cccc(c1)/C=C/2SC
    (=S)NC/2=O; COc1cccc(c1)C=C2SC(=S)NC2=O    		 (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
    38642
    UKW
    ZINC000058649341    		 5 C13 H12 N2 O4 InChI=1S/C13H12N2O4/c1-3-
    9-4-6-10(7-5-9)12(17)14-1
    1(8(2)16)13(18)15-19/h1,4
    -8,11,16H,2H3,(H,14,17)/t
    8-,11+/m1/s1;
    JJXZDQZGPLQGCP-KCJUWKMLSA-N    		 C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C
    #C)O; C[CH](O)[CH](NC(=O)c1ccc(cc1)C#C)C
    (=O)N=O; O=C(NC(C(=O)N=O)C(O)C)c1ccc(C#C
    )cc1; CC(C(C(=O)N=O)NC(=O)c1ccc(cc1)C#C)
    O; C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#C)C
    (=O)N=O    		 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide
    38643
    UKX    		 5 C8 H14 N2 O2 InChI=1S/C8H14N2O2/c1-2-6
    (8(9)12)10-5-3-4-7(10)11/
    h6H,2-5H2,1H3,(H2,9,12)/t
    6-/m0/s1;
    HPHUVLMMVZITSG-LURJTMIESA-N    		 CC[CH](N1CCCC1=O)C(N)=O; CC[C@H](N1CCCC1
    =O)C(N)=O; CCC(C(=O)N)N1CCCC1=O; CC[C@@H
    ](C(=O)N)N1CCCC1=O    		 (2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide;
    levetiracetam
    38644
    UKY    		 0 C5 H9 N4 O5 P InChI=1S/C5H9N4O5P/c6-3(5
    (10)11)2-9-4(1-7-8-9)15(1
    2,13)14/h1,3H,2,6H2,(H,10
    ,11)(H2,12,13,14)/t3-/m0/
    s1;
    HPSKGWJBNSTWIZ-VKHMYHEASA-N    		 c1c(n(nn1)CC(C(=O)O)N)P(=O)(O)O; c1c(n(n
    n1)C[C@@H](C(=O)O)N)P(=O)(O)O; N[CH](Cn1
    nncc1[P](O)(O)=O)C(O)=O; N[C@@H](Cn1nncc
    1[P](O)(O)=O)C(O)=O; C(O)(C(N)Cn1c(P(=O)
    (O)O)cnn1)=O    		 3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
    38645
    UKZ
    CHEMBL4875583    		 1 C21 H23 Cl N2 O3 InChI=1S/C21H23ClN2O3/c1-
    3-6-18(20(26)13-7-4-9-16(
    22)12(13)2)24-21(27)14-8-
    5-10-17-15(14)11-19(25)23
    -17/h4-5,7-10,18,20,26H,3
    ,6,11H2,1-2H3,(H,23,25)(H
    ,24,27)/t18-,20+/m1/s1;
    MQQHOEONXLJMLA-QUCCMNQESA-N    		 CCC[C@@H](NC(=O)c1cccc2NC(=O)Cc12)[C@@H]
    (O)c3cccc(Cl)c3C; CCC[C@H]([C@H](c1cccc(
    c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3; CCCC(C
    (c1cccc(c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3
    ; CCC[CH](NC(=O)c1cccc2NC(=O)Cc12)[CH](O
    )c3cccc(Cl)c3C    		 N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide;
    ~{N}-[(1~{S},2~{R})-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide;
    N-[(1S,2R)-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide
    38646
    UL0
    CHEMBL5271123    		 6 C32 H47 F N4 O2 InChI=1S/C32H47FN4O2/c1-4
    -27-29(5-2)34-37(6-3)30(2
    7)23-12-16-35(17-13-23)19
    -25-20-36(22-32(31(38)39)
    14-7-8-15-32)21-28(25)24-
    10-9-11-26(33)18-24/h9-11
    ,18,23,25,28H,4-8,12-17,1
    9-22H2,1-3H3,(H,38,39)/t2
    5-,28+/m0/s1;
    PCCHYTAFAXFIAW-LBNVMWSVSA-N    		 CCc1nn(CC)c(c1CC)C1CCN(CC2CN(CC3(CCCC3)C
    (=O)O)CC2c2cccc(F)c2)CC1; CCc1c(nn(c1C2C
    CN(CC2)CC3CN(CC3c4cccc(c4)F)CC5(CCCC5)C(
    =O)O)CC)CC; CCn1nc(CC)c(CC)c1C2CCN(CC2)C
    [C@H]3CN(C[C@@H]3c4cccc(F)c4)CC5(CCCC5)C
    (O)=O; CCc1c(nn(c1C2CCN(CC2)C[C@H]3CN(C[
    C@@H]3c4cccc(c4)F)CC5(CCCC5)C(=O)O)CC)CC
    ; CCn1nc(CC)c(CC)c1C2CCN(CC2)C[CH]3CN(C[
    CH]3c4cccc(F)c4)CC5(CCCC5)C(O)=O    		 1-{[(3S,4S)-3-(3-fluorophenyl)-4-{[4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid
    38647
    UL1
    CHEMBL255130
    ZINC000001236992    		 2 C12 H11 N O3 S2 InChI=1S/C12H11NO3S2/c1-1
    5-8-4-3-7(5-9(8)16-2)6-10
    -11(14)13-12(17)18-10/h3-
    6H,1-2H3,(H,13,14,17)/b10
    -6-;
    XVAIHVYMCLRIOV-POHAHGRESA-N    		 COc1ccc(cc1OC)C=C2C(=O)NC(=S)S2; COc1ccc
    (cc1OC)/C=C\2/C(=O)NC(=S)S2; COc1ccc(cc1
    OC)\C=C\2SC(=S)NC\2=O; COc1ccc(cc1OC)C=C
    2SC(=S)NC2=O; COc2ccc([C@H]=C1C(=O)NC(=S
    )S1)cc2OC    		 (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
    38648
    UL2
    CHEMBL4869401    		 1 C20 H22 N2 O4 InChI=1S/C20H22N2O4/c1-3-
    6-15(18(23)14-8-5-4-7-12(
    14)2)21-19(24)13-9-10-17-
    16(11-13)22-20(25)26-17/h
    4-5,7-11,15,18,23H,3,6H2,
    1-2H3,(H,21,24)(H,22,25)/
    t15-,18+/m1/s1;
    SNFRXTGIONJORR-QAPCUYQASA-N    		 CCCC(C(c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=
    O)O3; CCC[C@H]([C@H](c1ccccc1C)O)NC(=O)c
    2ccc3c(c2)NC(=O)O3; CCC[C@@H](NC(=O)c1cc
    c2OC(=O)Nc2c1)[C@@H](O)c3ccccc3C; CCC[CH
    ](NC(=O)c1ccc2OC(=O)Nc2c1)[CH](O)c3ccccc
    3C    		 N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide;
    ~{N}-[(1~{S},2~{R})-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3~{H}-1,3-benzoxazole-5-carboxamide;
    N-[(1S,2R)-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3H-1,3-benzoxazole-5-carboxamide
    38649
    UL4
    CHEMBL3770150
    ZINC000263620456    		 1 C18 H17 N O5 InChI=1S/C18H17NO5/c1-3-2
    4-16-8-7-12(11(2)20)10-15
    (16)19-17(21)13-5-4-6-14(
    9-13)18(22)23/h4-10H,3H2,
    1-2H3,(H,19,21)(H,22,23);
    GFOBMGVVDGTGAJ-UHFFFAOYSA-N    		 CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)
    C; CCOc1ccc(cc1NC(=O)c2cccc(c2)C(O)=O)C(
    C)=O; O=C(O)c1cccc(c1)C(=O)Nc2cc(ccc2OCC
    )C(=O)C    		 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid
    38650
    UL5
    CHEMBL4849578    		 1 C19 H21 N3 O2 InChI=1S/C19H21N3O2/c1-12
    -8-16(12)22-18(23)14-10-1
    5(9-13-6-4-3-5-7-13)21-17
    (11-14)19(24)20-2/h3-7,10
    -12,16H,8-9H2,1-2H3,(H,20
    ,24)(H,22,23)/t12-,16-/m0
    /s1;
    QEPZFLZVHFIDCF-LRDDRELGSA-N    		 CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@H]3
    C[C@@H]3C; C[C@H]1C[C@@H]1NC(=O)c2cc(nc(
    c2)C(=O)NC)Cc3ccccc3; CNC(=O)c1cc(cc(Cc2
    ccccc2)n1)C(=O)N[CH]3C[CH]3C; CC1CC1NC(=
    O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3    		 ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide
    38651
    UL6    		 1 C13 H23 N O8 InChI=1S/C13H23NO8/c1-7(1
    6)14-10-12(18)11(17)9(4-1
    5)22-13(10)21-6-8-5-19-2-
    3-20-8/h8-13,15,17-18H,2-
    6H2,1H3,(H,14,16)/t8-,9+,
    10+,11+,12+,13+/m0/s1;
    WYEPHXYJGRPYCT-ZRFFIENRSA-N    		 CC(=O)NC1C(C(C(OC1OCC2COCCO2)CO)O)O; CC(
    =O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[
    C@@H]2COCCO2)CO)O)O; CC(=O)N[C@@H]1[C@@H
    ](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@@H]2CO
    CCO2; CC(=O)NC1C(O)C(O)C(CO)OC1OCC1COCCO
    1; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[C
    H]1OC[CH]2COCCO2    		 [(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
    38652
    UL7
    CHEMBL2335188
    ZINC000095591903    		 2 C17 H24 Br Cl N2 O2 InChI=1S/C17H24BrClN2O2/c
    18-16-10-13(19)9-12(17(16
    )23)11-20-5-1-14(2-6-20)2
    1-7-3-15(22)4-8-21/h9-10,
    14-15,22-23H,1-8,11H2;
    UPKDBIXMTVKMCL-UHFFFAOYSA-N    		 c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)C
    l; OC1CCN(CC1)C2CCN(CC2)Cc3cc(Cl)cc(Br)c
    3O    		 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol]
    38653
    UL8
    CHEMBL4871396    		 1 C20 H22 N4 O2 InChI=1S/C20H22N4O2/c1-4-
    21-20(25)16-10-11-19(17(1
    2-16)18-13-24(3)23-22-18)
    26-14(2)15-8-6-5-7-9-15/h
    5-14H,4H2,1-3H3,(H,21,25)
    /t14-/m0/s1;
    VZVLEUYPQRNNJB-AWEZNQCLSA-N    		 CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OC(C)c3ccc
    cc3; CCNC(=O)c1ccc(O[CH](C)c2ccccc2)c(c1
    )c3cn(C)nn3; CCNC(=O)c1ccc(O[C@@H](C)c2c
    cccc2)c(c1)c3cn(C)nn3; CCNC(=O)c1ccc(c(c
    1)c2cn(nn2)C)O[C@@H](C)c3ccccc3    		 ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide
    38654
    UL9
    CHEMBL233248
    ZINC000001687017    		 4 C4 H5 N S InChI=1S/C4H5NS/c1-2-3-5-
    4-6/h2H,1,3H2;
    ZOJBYZNEUISWFT-UHFFFAOYSA-N    		 C=CCN=C=S; C=CC\N=C=S 3-isothiocyanatoprop-1-ene
    38655
    ULA
    DB03021    		 1 C46 H66 N4 O13 InChI=1S/C46H66N4O13/c1-2
    7(16-17-38(55)30(4)44(62-
    32(6)52)28(2)18-19-50(7)2
    6-51)40(58-9)22-41-31(5)3
    9(57-8)14-11-15-42-47-36(
    24-59-42)45-49-37(25-61-4
    5)46-48-35(23-60-46)29(3)
    20-33(53)12-10-13-34(54)2
    1-43(56)63-41/h11,15,18-1
    9,23-25,27-31,34,39-41,44
    ,51,54H,10,12-14,16-17,20
    -22,26H2,1-9H3/b15-11+,19
    -18?/t27-,28?,29-,30+,31+
    ,34-,39-,40-,41-,44?/m0/s
    1;
    DIOFXPZEAVIPDB-GSMFZUCRSA-N    		 CC1CC(=O)CCCC(CC(=O)OC(C(C(CC=Cc2nc(co2)
    -c3nc(co3)-c4nc1co4)OC)C)CC(C(C)CCC(=O)C
    (C)C(C(C)C=CN(C)CO)OC(=O)C)OC)O; C[C@H]1
    CC(=O)CCC[C@@H](CC(=O)O[C@H]([C@@H]([C@H
    ](C\C=C\c2nc(co2)-c3nc(co3)-c4nc1co4)OC)
    C)C[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@H]
    ([C@H](C)C=C[N@](C)CO)OC(=O)C)OC)O; CO[C
    @@H](C[C@@H]1OC(=O)C[C@@H](O)CCCC(=O)C[C
    @H](C)c2coc(n2)c3coc(n3)c4coc(\C=C\C[C@H
    ](OC)[C@H]1C)n4)[C@@H](C)CCC(=O)[C@@H](C
    )C(OC(C)=O)C(C)C=CN(C)CO; O=C(OC(C(/C=C\
    N(C)CO)C)C(C(=O)CCC(C)C(OC)CC4OC(=O)CC(O
    )CCCC(=O)CC(c1nc(oc1)c2nc(oc2)c3nc(oc3)C
    =CCC(OC)C4C)C)C)C; CO[CH](C[CH]1OC(=O)C[
    CH](O)CCCC(=O)C[CH](C)c2coc(n2)c3coc(n3)
    c4coc(C=CC[CH](OC)[CH]1C)n4)[CH](C)CCC(=
    O)[CH](C)C(OC(C)=O)C(C)C=CN(C)CO    		 ULAPUALIDE A
    38656
    ULB
    CHEMBL4851810    		 1 C16 H15 N3 O InChI=1S/C16H15N3O/c1-12-
    17-16(19-18-12)14-9-5-6-1
    0-15(14)20-11-13-7-3-2-4-
    8-13/h2-10H,11H2,1H3,(H,1
    7,18,19);
    NPTNHLPXAAOUPO-UHFFFAOYSA-N    		 Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole
    38657
    ULC    		 1 C18 H20 N2 O2 S InChI=1S/C18H20N2O2S/c1-2
    0(16-8-5-9-17(19-16)21-2)
    18(23)22-15-11-10-13-6-3-
    4-7-14(13)12-15/h5,8-12H,
    3-4,6-7H2,1-2H3;
    VPHPQNGOVQYUMG-UHFFFAOYSA-N    		 CN(c1cccc(n1)OC)C(=S)Oc2ccc3c(c2)CCCC3;
    COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2    		 ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate
    38658
    ULD    		 1 C15 H12 F5 N O4 S InChI=1S/C15H12F5NO4S/c16
    -14(17)5-9-10(25-8-3-7(4-
    8)6-21)1-2-11(12(9)13(14)
    22)26(23,24)15(18,19)20/h
    1-2,7-8,13,22H,3-5H2/t7-,
    8+,13-/m0/s1;
    CWCXJGVIPMKNIF-DAROEXNTSA-N    		 N#CC1CC(C1)Oc2ccc(c3c2CC(F)(F)C3O)S(=O)(
    =O)C(F)(F)F; c1cc(c2c(c1OC3CC(C3)C#N)CC(
    C2O)(F)F)S(=O)(=O)C(F)(F)F; c1cc(c2c(c1O
    C3CC(C3)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F
    )(F)F; O[CH]1c2c(CC1(F)F)c(O[CH]3C[CH](C
    3)C#N)ccc2[S](=O)(=O)C(F)(F)F; O[C@H]1c2
    c(CC1(F)F)c(O[C@H]3C[C@H](C3)C#N)ccc2[S]
    (=O)(=O)C(F)(F)F    		 cis-3-({(1S)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile
    38659
    ULE
    CHEMBL4860220    		 1 C19 H21 N3 O2 InChI=1S/C19H21N3O2/c1-12
    (13-6-4-3-5-7-13)16-10-14
    (18(23)21-15-8-9-15)11-17
    (22-16)19(24)20-2/h3-7,10
    -12,15H,8-9H2,1-2H3,(H,20
    ,24)(H,21,23)/t12-/m0/s1;
    VGUKTEKHFHLCSV-LBPRGKRZSA-N    		 C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O
    )NC3CC3; CNC(=O)c1cc(cc(n1)[C@@H](C)c2cc
    ccc2)C(=O)NC3CC3; CNC(=O)c1cc(cc(n1)[CH]
    (C)c2ccccc2)C(=O)NC3CC3; CC(c1ccccc1)c2c
    c(cc(n2)C(=O)NC)C(=O)NC3CC3    		 ~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide
    38660
    ULF
    ZINC000098209496    		 0 C11 H14 F N2 O8 P InChI=1S/C11H14FN2O8P/c12
    -5-3-11(4-21-23(18,19)20)
    8(16)7(5)9(22-11)14-2-1-6
    (15)13-10(14)17/h1-2,5,7-
    9,16H,3-4H2,(H,13,15,17)(
    H2,18,19,20)/t5-,7-,8+,9-
    ,11-/m1/s1;
    INQRQYVGAIORTC-QVPLNXPXSA-N    		 C1C(C2C(C1(OC2N3C=CC(=O)NC3=O)COP(=O)(O)
    O)O)F; O[C@H]1[C@H]2[C@H](F)C[C@]1(CO[P]
    (O)(O)=O)O[C@H]2N3C=CC(=O)NC3=O; C1[C@H]
    ([C@@H]2[C@@H]([C@]1(O[C@H]2N3C=CC(=O)NC
    3=O)COP(=O)(O)O)O)F; O=P(O)(O)OCC23OC(N1
    C(=O)NC(=O)C=C1)C(C(F)C2)C3O; O[CH]1[CH]
    2[CH](F)C[C]1(CO[P](O)(O)=O)O[CH]2N3C=CC
    (=O)NC3=O    		 [(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
    38661
    ULG    		 1 C16 H11 F5 O2 InChI=1S/C16H11F5O2/c17-8
    -5-9(18)7-10(6-8)23-14-4-
    2-12(16(19,20)21)15-11(14
    )1-3-13(15)22/h2,4-7,13,2
    2H,1,3H2/t13-/m1/s1;
    WYQNGHURDXWRST-CYBMUJFWSA-N    		 O[CH]1CCc2c(Oc3cc(F)cc(F)c3)ccc(c12)C(F)
    (F)F; c1cc(c2c(c1C(F)(F)F)[C@@H](CC2)O)O
    c3cc(cc(c3)F)F; O[C@@H]1CCc2c(Oc3cc(F)cc
    (F)c3)ccc(c12)C(F)(F)F; FC(F)(F)c1ccc(c2
    c1C(O)CC2)Oc3cc(F)cc(c3)F; c1cc(c2c(c1C(
    F)(F)F)C(CC2)O)Oc3cc(cc(c3)F)F    		 (1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
    38662
    ULH
    CHEMBL4644310    		 1 C19 H21 N3 O3 InChI=1S/C19H21N3O3/c1-12
    (13-6-4-3-5-7-13)22-11-14
    (17(23)21-15-8-9-15)10-16
    (19(22)25)18(24)20-2/h3-7
    ,10-12,15H,8-9H2,1-2H3,(H
    ,20,24)(H,21,23)/t12-/m1/
    s1;
    AYQUCQJYWKQBRS-GFCCVEGCSA-N    		 C[C@H](c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C
    (=O)NC3CC3; CNC(=O)C1=CC(=CN([CH](C)c2cc
    ccc2)C1=O)C(=O)NC3CC3; CNC(=O)C1=CC(=CN(
    [C@H](C)c2ccccc2)C1=O)C(=O)NC3CC3; CC(c1
    ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC
    3    		 ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide
    38663
    ULI
    ZINC000006921185    		 0 C40 H82 InChI=1S/C40H82/c1-3-5-7-
    9-11-13-15-17-19-21-23-25
    -27-29-31-33-35-37-39-40-
    38-36-34-32-30-28-26-24-2
    2-20-18-16-14-12-10-8-6-4
    -2/h3-40H2,1-2H3;
    KUPLEGDPSCCPJI-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
    ; C(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCC
    CCCC    		 tetracontane;
    n-Tetracontane
    38664
    ULJ
    CHEMBL1610544
    ZINC000002689543    		 8 C18 H17 Br F N5 O3 InChI=1S/C18H17BrFN5O3/c1
    -27-12-5-6-15(28-2)14(8-1
    2)22-18(26)16-17(21)25(24
    -23-16)9-10-3-4-11(19)7-1
    3(10)20/h3-8H,9,21H2,1-2H
    3,(H,22,26);
    RAVNFJBKYUTEIC-UHFFFAOYSA-N    		 COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccc(Br)cc3F)
    c2N)c1; COc1ccc(c(c1)NC(=O)c2c(n(nn2)Cc3
    ccc(cc3F)Br)N)OC; COc3ccc(OC)c(NC(=O)c2c
    (N)n(Cc1c(F)cc(cc1)Br)nn2)c3    		 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
    38665
    ULK    		 1 C19 H21 N3 O3 InChI=1S/C19H21N3O3/c1-11
    -8-14(11)22-18(24)13-9-15
    (21-16(10-13)19(25)20-2)1
    7(23)12-6-4-3-5-7-12/h3-7
    ,9-11,14,17,23H,8H2,1-2H3
    ,(H,20,25)(H,22,24)/t11-,
    14-,17-/m0/s1;
    OJSKWCXPUVTNCF-YLVFBTJISA-N    		 CC1CC1NC(=O)c2cc(nc(c2)C(=O)NC)C(c3ccccc
    3)O; C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=
    O)NC)[C@H](c3ccccc3)O; CNC(=O)c1cc(cc(n1
    )[CH](O)c2ccccc2)C(=O)N[CH]3C[CH]3C; CNC
    (=O)c1cc(cc(n1)[C@@H](O)c2ccccc2)C(=O)N[
    C@H]3C[C@@H]3C    		 ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide
    38666
    ULL    		 1 C26 H24 Br N3 O3 InChI=1S/C26H24BrN3O3/c1-
    17(2)33-26(32)28-22-14-10
    -18(11-15-22)23-16-24(19-
    6-4-3-5-7-19)30(29-23)25(
    31)20-8-12-21(27)13-9-20/
    h3-15,17,24H,16H2,1-2H3,(
    H,28,32)/t24-/m0/s1;
    RWCWONWFSWXBCW-DEOSSOPVSA-N    		 CC(C)OC(=O)Nc1ccc(cc1)C2=NN([CH](C2)c3cc
    ccc3)C(=O)c4ccc(Br)cc4; CC(C)OC(=O)Nc1cc
    c(cc1)C2=NN(C(C2)c3ccccc3)C(=O)c4ccc(cc4
    )Br; CC(C)OC(=O)Nc1ccc(cc1)C2=NN([C@@H](
    C2)c3ccccc3)C(=O)c4ccc(Br)cc4; O=C(c1ccc
    (Br)cc1)N1N=C(CC1c1ccccc1)c1ccc(NC(=O)OC
    (C)C)cc1; CC(C)OC(=O)Nc1ccc(cc1)C2=NN([C
    @@H](C2)c3ccccc3)C(=O)c4ccc(cc4)Br    		 propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate
    38667
    ULM    		 1 C13 H11 F6 N O2 InChI=1S/C13H11F6NO2/c14-
    7-1-6-8(22-5-2-12(15,16)3
    -5)4-20-11(13(17,18)19)9(
    6)10(7)21/h4-5,7,10,21H,1
    -3H2/t7-,10-/m1/s1;
    PUEJLMQBKXIGPV-GMSGAONNSA-N    		 O[C@@H]1[C@H](F)Cc2c(OC3CC(F)(F)C3)cnc(c
    12)C(F)(F)F; c1(cnc(c2c1CC(C2O)F)C(F)(F)
    F)OC3CC(C3)(F)F; O[CH]1[CH](F)Cc2c(OC3CC
    (F)(F)C3)cnc(c12)C(F)(F)F; c1c(c2c(c(n1)
    C(F)(F)F)C(C(C2)F)O)OC3CC(C3)(F)F; c1c(c
    2c(c(n1)C(F)(F)F)[C@@H]([C@@H](C2)F)O)OC
    3CC(C3)(F)F    		 (6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol
    38668
    ULN
    CHEMBL4873182    		 1 C21 H23 N3 O3 InChI=1S/C21H23N3O3/c1-12
    (13-6-4-3-5-7-13)17-8-14(
    9-18(23-17)21(26)22-2)20(
    25)24-19-15-10-27-11-16(1
    5)19/h3-9,12,15-16,19H,10
    -11H2,1-2H3,(H,22,26)(H,2
    4,25)/t12-,15-,16+,19+/m0
    /s1;
    VTIIKJCRYRUFLT-NALNUFGESA-N    		 CNC(=O)c1cc(cc(n1)[C@@H](C)c2ccccc2)C(=O
    )NC3[C@@H]4COC[C@H]34; C[C@@H](c1ccccc1)
    c2cc(cc(n2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3
    COC4; CNC(=O)c1cc(cc(n1)[CH](C)c2ccccc2)
    C(=O)NC3[CH]4COC[CH]34; CC(c1ccccc1)c2cc
    (cc(n2)C(=O)NC)C(=O)NC3C4C3COC4    		 ~{N}2-methyl-~{N}4-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide
    38669
    ULO    		 12 C15 H33 O P InChI=1S/C15H33OP/c1-6-7-
    8-9-10-11-12-13-17(16,14(
    2)3)15(4)5/h14-15H,6-13H2
    ,1-5H3;
    DHOTYMJGZIUWRT-UHFFFAOYSA-N    		 CCCCCCCCC[P](=O)(C(C)C)C(C)C; CCCCCCCCCP
    (=O)(C(C)C)C(C)C; O=P(CCCCCCCCC)(C(C)C)C
    (C)C    		 nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane
    38670
    ULP
    ZINC000263620549    		 2 C25 H34 N5 O22 P3 InChI=1S/C25H34N5O22P3/c1
    -9-17(33)12(11(5-26-9)7-4
    7-53(40,41)42)6-27-15-16(
    28-10(2)31)24(50-21(19(15
    )35)23(37)38)51-55(45,46)
    52-54(43,44)48-8-13-18(34
    )20(36)22(49-13)30-4-3-14
    (32)29-25(30)39/h3-6,13,1
    5-16,18-22,24,33-36H,7-8H
    2,1-2H3,(H,28,31)(H,37,38
    )(H,43,44)(H,45,46)(H,29,
    32,39)(H2,40,41,42)/b27-6
    +/t13-,15-,16-,18-,19+,20
    -,21+,22-,24-/m1/s1;
    IGKBPIFLZAFLLV-IOECPDIJSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O
    )C(=O)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N
    4C=CC(=O)NC4=O)O)O)NC(=O)C)O; O=C1C=CN(C
    (=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC
    (C(=O)O)C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O)
    (O)O)C4NC(=O)C)O)O; Cc1c(c(c(cn1)COP(=O)
    (O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@
    H]2O)C(=O)O)O[P@@](=O)(O)O[P@@](=O)(O)OC
    [C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)N
    C4=O)O)O)NC(=O)C)O; CC(=O)N[CH]1[CH](O[C
    H]([CH](O)[CH]1N=Cc2c(O)c(C)ncc2CO[P](O)
    (O)=O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH
    ]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O; C
    C(=O)N[C@H]1[C@H](O[C@@H]([C@@H](O)[C@@H
    ]1N=Cc2c(O)c(C)ncc2CO[P](O)(O)=O)C(O)=O)
    O[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@
    H](O)[C@@H]3O)N4C=CC(=O)NC4=O    		 (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
    38671
    ULQ    		 1 C21 H23 N3 O4 InChI=1S/C21H23N3O4/c1-22
    -21(26)17-9-13(20(25)24-1
    8-14-10-28-11-15(14)18)8-
    16(23-17)19(27-2)12-6-4-3
    -5-7-12/h3-9,14-15,18-19H
    ,10-11H2,1-2H3,(H,22,26)(
    H,24,25)/t14-,15+,18+,19-
    /m0/s1;
    XRABYUHHDSKQAA-SFUIVIKGSA-N    		 CNC(=O)c1cc(cc(n1)[CH](OC)c2ccccc2)C(=O)
    NC3[CH]4COC[CH]34; CNC(=O)c1cc(cc(n1)C(c
    2ccccc2)OC)C(=O)NC3C4C3COC4; CNC(=O)c1cc
    (cc(n1)[C@@H](OC)c2ccccc2)C(=O)NC3[C@H]4
    COC[C@@H]34; CNC(=O)c1cc(cc(n1)[C@H](c2c
    cccc2)OC)C(=O)NC3[C@H]4[C@@H]3COC4    		 6-[(~{S})-methoxy(phenyl)methyl]-~{N}2-methyl-~{N}4-[(1~{S},5~{R})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
    38672
    ULR    		 0 C20 H23 F N6 O InChI=1S/C20H23FN6O/c1-3-
    14-11-26(7-6-22-14)15-4-5
    -16(17(21)8-15)20(28)25-1
    8-12-27-10-13(2)24-19(27)
    9-23-18/h4-5,8-10,12,14,2
    2H,3,6-7,11H2,1-2H3,(H,25
    ,28)/t14-/m0/s1;
    FWJHZBXJJJTEFO-AWEZNQCLSA-N    		 CC[CH]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4c
    c(C)nc4cn3; CC[C@H]1CN(CCN1)c2ccc(c(c2)F
    )C(=O)Nc3cn4cc(nc4cn3)C; CCC1CN(CCN1)c2c
    cc(c(c2)F)C(=O)Nc3cn4cc(nc4cn3)C; CC[C@H
    ]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4cc(C)n
    c4cn3    		 4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide;
    SMN-CY
    38673
    ULS    		 1 C16 H10 F4 N2 O2 InChI=1S/C16H10F4N2O2/c17
    -9-3-8(6-21)4-10(5-9)24-1
    3-7-22-15(16(18,19)20)14-
    11(13)1-2-12(14)23/h3-5,7
    ,12,23H,1-2H2/t12-/m1/s1;
    QJVMUDSPENWIOV-GFCCVEGCSA-N    		 c1c(cc(cc1Oc2cnc(c3c2CCC3O)C(F)(F)F)F)C#
    N; c1c(cc(cc1Oc2cnc(c3c2CC[C@H]3O)C(F)(F
    )F)F)C#N; O[C@@H]1CCc2c(Oc3cc(F)cc(c3)C#
    N)cnc(c12)C(F)(F)F; N#Cc1cc(cc(c1)Oc2cnc
    (c3c2CCC3O)C(F)(F)F)F; O[CH]1CCc2c(Oc3cc
    (F)cc(c3)C#N)cnc(c12)C(F)(F)F    		 3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile
    38674
    ULT
    CHEMBL5197292    		 1 C22 H14 Cl F3 N2 O4 InChI=1S/C22H14ClF3N2O4/c
    23-17-3-1-2-16(22(24,25)2
    6)18(17)19-15(20(32-28-19
    )13-8-9-27-10-13)11-31-14
    -6-4-12(5-7-14)21(29)30/h
    1-10,27H,11H2,(H,29,30);
    NZRBQNXUTCVFCO-UHFFFAOYSA-N    		 c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4
    ccc(cc4)C(=O)O)C(F)(F)F; OC(=O)c1ccc(OCc
    2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[nH]cc4)c
    c1    		 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid;
    FM156
    38675
    ULV
    CHEMBL4749037    		 1 C26 H22 F3 N7 O3 InChI=1S/C26H22F3N7O3/c27
    -26(28,29)17-7-8-31-19(11
    -17)33-24(37)15-3-1-14(2-
    4-15)20-21-22(30)32-9-10-
    35(21)23(34-20)16-5-6-18-
    13-39-25(38)36(18)12-16/h
    1-4,7-11,16,18H,5-6,12-13
    H2,(H2,30,32)(H,31,33,37)
    /t16-,18+/m1/s1;
    CDISOBGWDHAHGF-AEFFLSMTSA-N    		 Nc1nccn2c(nc(c3ccc(cc3)C(=O)Nc4cc(ccn4)C
    (F)(F)F)c12)[CH]5CC[CH]6COC(=O)N6C5; Nc1
    nccn2c(nc(c3ccc(cc3)C(=O)Nc4cc(ccn4)C(F)
    (F)F)c12)[C@@H]5CC[C@H]6COC(=O)N6C5; c1c
    c(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5COC
    (=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F; n1c
    (c2c(nc(n2cc1)C3CCC4N(C3)C(OC4)=O)c6ccc(
    C(=O)Nc5nccc(C(F)(F)F)c5)cc6)N; c1cc(ccc
    1c2c3c(nccn3c(n2)C4CCC5COC(=O)N5C4)N)C(=
    O)Nc6cc(ccn6)C(F)(F)F    		 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
    38676
    ULW    		 1 C22 H35 N O4 InChI=1S/C22H35NO4/c1-17(
    2)7-5-8-18(3)9-6-10-19(4)
    14-16-27-22(26)13-15-23-2
    0(24)11-12-21(23)25/h9,14
    ,17H,5-8,10-13,15-16H2,1-
    4H3/b18-9-,19-14-;
    UEVQPHSWLLGCMH-WALGPUPZSA-N    		 CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CC
    C1=O)/C)/C; CC(C)CCCC(C)=CCCC(C)=CCOC(=O
    )CCN1C(=O)CCC1=O; CC(C)CCCC(=CCCC(=CCOC(
    =O)CCN1C(=O)CCC1=O)C)C; CC(C)CCCC(\C)=C/
    CCC(/C)=C\COC(=O)CCN1C(=O)CCC1=O    		 [(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate
    38677
    ULX    		 1 C29 H31 F3 N4 O3 InChI=1S/C29H31F3N4O3/c30
    -29(31,32)23-8-5-20(6-9-2
    3)14-28(18-34-26-10-7-21(
    17-37)13-27(26)36(38)39)1
    1-12-35(19-28)16-22-15-33
    -25-4-2-1-3-24(22)25/h1-1
    0,13,15,33-34,37-39H,11-1
    2,14,16-19H2/t28-/m0/s1;
    IYYLJCBCDAMUPF-NDEPHWFRSA-N    		 c1ccc2c(c1)c(c[nH]2)CN3CC[C@](C3)(Cc4ccc
    (cc4)C(F)(F)F)CNc5ccc(cc5N(O)O)CO; FC(F)
    (F)c1ccc(cc1)CC1(CCN(Cc2c[NH]c3ccccc23)C
    1)CNc1ccc(CO)cc1N(O)O; c1ccc2c(c1)c(c[nH
    ]2)CN3CCC(C3)(Cc4ccc(cc4)C(F)(F)F)CNc5cc
    c(cc5N(O)O)CO; OCc1ccc(NC[C]2(CCN(Cc3c[n
    H]c4ccccc34)C2)Cc5ccc(cc5)C(F)(F)F)c(c1)
    N(O)O; OCc1ccc(NC[C@]2(CCN(Cc3c[nH]c4ccc
    cc34)C2)Cc5ccc(cc5)C(F)(F)F)c(c1)N(O)O    		 [4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-3-nitrophenyl]methanol
    38678
    ULY
    CHEMBL4114929    		 2 C28 H26 F3 N7 O3 InChI=1S/C28H26F3N7O3/c1-
    41-20-12-15(27(40)35-21-1
    3-17(8-9-33-21)28(29,30)3
    1)3-6-19(20)23-24-25(32)3
    4-10-11-37(24)26(36-23)16
    -2-4-18-5-7-22(39)38(18)1
    4-16/h3,6,8-13,16,18H,2,4
    -5,7,14H2,1H3,(H2,32,34)(
    H,33,35,40)/t16-,18+/m1/s
    1;
    OMIQRSKHABIPRH-AEFFLSMTSA-N    		 COc1cc(ccc1c2c3c(nccn3c(n2)C4CCC5CCC(=O)
    N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F; n1ccn2c
    (c1N)c(nc2C3CN4C(CC3)CCC4=O)c5ccc(cc5OC)
    C(Nc6nccc(c6)C(F)(F)F)=O; COc1cc(ccc1c2c
    3c(nccn3c(n2)[C@@H]4CC[C@H]5CCC(=O)N5C4)
    N)C(=O)Nc6cc(ccn6)C(F)(F)F; COc1cc(ccc1c
    2nc([CH]3CC[CH]4CCC(=O)N4C3)n5ccnc(N)c25
    )C(=O)Nc6cc(ccn6)C(F)(F)F; COc1cc(ccc1c2
    nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n5ccnc(N)c
    25)C(=O)Nc6cc(ccn6)C(F)(F)F    		 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
    38679
    ULZ
    CHEMBL5209191    		 1 C18 H19 Br N4 O InChI=1S/C18H19BrN4O/c19-
    14-2-4-17-16(11-14)13(12-
    21-17)1-3-15-5-6-20-18(22
    -15)23-7-9-24-10-8-23/h2,
    4-6,11-12,21H,1,3,7-10H2;
    LPEIQZYVQYBIQO-UHFFFAOYSA-N    		 c1cc2c(cc1Br)c(c[nH]2)CCc3ccnc(n3)N4CCOC
    C4; Brc1ccc2[nH]cc(CCc3ccnc(n3)N4CCOCC4)
    c2c1    		 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
    38680
    UM0
    ZINC000013545200    		 0 C14 H24 N2 O9 InChI=1S/C14H24N2O9/c1-5(
    13(21)22)15-12(20)6(2)24-
    11-9(16-7(3)18)14(23)25-8
    (4-17)10(11)19/h5-6,8-11,
    14,17,19,23H,4H2,1-3H3,(H
    ,15,20)(H,16,18)(H,21,22)
    /t5-,6+,8+,9+,10+,11+,14-
    /m0/s1;
    ICMUIFDBEVJCQA-GFBFODDVSA-N    		 C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C
    @H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C;
    C[CH](NC(=O)[CH](C)O[CH]1[CH](O)[CH](CO)
    O[CH](O)[CH]1NC(C)=O)C(O)=O; O=C(O)C(NC(
    =O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C)C; CC(
    C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=
    O)C; C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](
    O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C(O)
    =O    		 (2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid
    38681
    UM1    		 0 C8 H15 N3 O4 InChI=1S/C8H15N3O4/c1-4(1
    0-6(12)3-9)7(13)11-5(2)8(
    14)15/h4-5H,3,9H2,1-2H3,(
    H,10,12)(H,11,13)(H,14,15
    )/t4-,5-/m1/s1;
    PYTZFYUXZZHOAD-RFZPGFLSSA-N    		 C[C@@H](NC(=O)[C@@H](C)NC(=O)CN)C(O)=O;
    O=C(NC(C(=O)O)C)C(NC(=O)CN)C; C[CH](NC(=
    O)[CH](C)NC(=O)CN)C(O)=O; C[C@H](C(=O)N[
    C@H](C)C(=O)O)NC(=O)CN; CC(C(=O)NC(C)C(=
    O)O)NC(=O)CN    		 (2R)-2-[[(2R)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid;
    glycyl-D-alanyl-D-alanine
    38682
    UM2
    ZINC000011957321    		 2 C7 H16 N2 O InChI=1S/C7H16N2O/c1-3-4-
    5-9-7(10)6(2)8/h6H,3-5,8H
    2,1-2H3,(H,9,10)/t6-/m0/s
    1;
    XXYQJGUBGFEJMV-LURJTMIESA-N    		 CCCCNC(=O)C(C)N; CCCCNC(=O)[CH](C)N; O=C
    (NCCCC)C(N)C; CCCCNC(=O)[C@H](C)N    		 (2S)-2-amino-N-butyl-propanamide;
    N-butyl-L-alaninamide
    38683
    UM3
    DB03448
    ZINC000006524812    		 6 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c12-4
    -6-5(19-20(15,16)17)3-8(1
    8-6)11-2-1-7(13)10-9(11)1
    4/h1-2,5-6,8,12H,3-4H2,(H
    ,10,13,14)(H2,15,16,17)/t
    5-,6+,8+/m0/s1;
    LXKGKXYIAAKOCT-SHYZEUOFSA-N    		 C1C(C(OC1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O;
    C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO
    )OP(=O)(O)O; OC[CH]1O[CH](C[CH]1O[P](O)(
    O)=O)N2C=CC(=O)NC2=O; OC[C@H]1O[C@H](C[C
    @@H]1O[P](O)(O)=O)N2C=CC(=O)NC2=O; O=C1N
    C(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2)CO    		 2'-DEOXYURIDINE 3'-MONOPHOSPHATE
    38684
    UM4
    CHEMBL4107779    		 2 C30 H28 F3 N7 O3 InChI=1S/C30H28F3N7O3/c31
    -30(32,33)18-9-10-35-23(1
    4-18)37-29(42)16-2-7-21(2
    2(13-16)43-20-5-6-20)25-2
    6-27(34)36-11-12-39(26)28
    (38-25)17-1-3-19-4-8-24(4
    1)40(19)15-17/h2,7,9-14,1
    7,19-20H,1,3-6,8,15H2,(H2
    ,34,36)(H,35,37,42)/t17-,
    19+/m1/s1;
    WMMNTQFZCHUZSM-MJGOQNOKSA-N    		 Nc1nccn2c(nc(c3ccc(cc3OC4CC4)C(=O)Nc5cc(
    ccn5)C(F)(F)F)c12)[C@@H]6CC[C@H]7CCC(=O)
    N7C6; n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(CC4)
    =O)c6ccc(C(Nc5nccc(C(F)(F)F)c5)=O)cc6OC7
    CC7)N; c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F)
    F)OC3CC3)c4c5c(nccn5c(n4)C6CCC7CCC(=O)N7
    C6)N; Nc1nccn2c(nc(c3ccc(cc3OC4CC4)C(=O)
    Nc5cc(ccn5)C(F)(F)F)c12)[CH]6CC[CH]7CCC(
    =O)N7C6; c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(
    F)F)OC3CC3)c4c5c(nccn5c(n4)[C@@H]6CC[C@H
    ]7CCC(=O)N7C6)N    		 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
    38685
    UM5
    CHEMBL4853894    		 1 C18 H19 N5 O2 InChI=1S/C18H19N5O2/c1-3-
    19-18(24)13-7-8-17(25-12-
    14-6-4-5-9-20-14)15(10-13
    )16-11-23(2)22-21-16/h4-1
    1H,3,12H2,1-2H3,(H,19,24);
    PXCVJESJJFPBNT-UHFFFAOYSA-N    		 CCNC(=O)c1ccc(OCc2ccccn2)c(c1)c3cn(C)nn3
    ; CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3cccc
    n3    		 N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide;
    ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
    38686
    UM6    		 8 C18 H15 Cl F N3 O InChI=1S/C18H15ClFN3O/c19
    -12-6-7-15-16(10-12)23(14
    -4-2-1-3-5-14)18(24)21-17
    (15)22-9-8-13(20)11-22/h1
    -7,10,13H,8-9,11H2/t13-/m
    1/s1;
    GPTUSHRRTGGGTD-CYBMUJFWSA-N    		 c1ccc(cc1)N2c3cc(ccc3C(=NC2=O)N4CCC(C4)F
    )Cl; c1ccc(cc1)N2c3cc(ccc3C(=NC2=O)N4CC[
    C@H](C4)F)Cl; F[CH]1CCN(C1)C2=NC(=O)N(c3
    ccccc3)c4cc(Cl)ccc24; F[C@@H]1CCN(C1)C2=
    NC(=O)N(c3ccccc3)c4cc(Cl)ccc24    		 7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one
    38687
    UM7
    ZINC000038288957    		 0 C6 H12 N2 O2 InChI=1S/C6H12N2O2/c1-10-
    6(9)5-3-2-4-7-8-5/h5,7-8H
    ,2-4H2,1H3/t5-/m0/s1;
    GAUFSAOOPHWSRO-YFKPBYRVSA-N    		 COC(=O)[CH]1CCCNN1; COC(=O)[C@@H]1CCCNN1
    ; C1NNC(CC1)C(=O)OC; COC(=O)C1CCCNN1    		 methyl (3S)-hexahydropyridazine-3-carboxylate
    38688
    UM8
    CHEMBL4853265    		 1 C19 H19 N5 O InChI=1S/C19H19N5O/c1-24-
    12-18(22-23-24)17-11-14(1
    9(25)21-15-7-8-15)10-16(2
    0-17)9-13-5-3-2-4-6-13/h2
    -6,10-12,15H,7-9H2,1H3,(H
    ,21,25);
    NUQGANYMFKALLD-UHFFFAOYSA-N    		 Cn1cc(nn1)c2cc(cc(Cc3ccccc3)n2)C(=O)NC4C
    C4; Cn1cc(nn1)c2cc(cc(n2)Cc3ccccc3)C(=O)
    NC4CC4    		 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide;
    ~{N}-cyclopropyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(phenylmethyl)pyridine-4-carboxamide
    38689
    UM9    		 1 C14 H25 N O7 InChI=1S/C14H25NO7/c1-7(1
    7)14(3,4)6-21-13-10(15-8(
    2)18)12(20)11(19)9(5-16)2
    2-13/h9-13,16,19-20H,5-6H
    2,1-4H3,(H,15,18)/t9-,10-
    ,11-,12-,13-/m1/s1;
    UAKFZHMRCJMULU-SYLRKERUSA-N    		 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO
    )O[C@H]1OCC(C)(C)C(C)=O; CC(=O)C(C)(C)CO
    C1C(C(C(C(O1)CO)O)O)NC(=O)C; CC(=O)C(C)(
    C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C
    O)O)O)NC(=O)C; CC(=O)N[CH]1[CH](O)[CH](O
    )[CH](CO)O[CH]1OCC(C)(C)C(C)=O; CC(=O)C(
    C)(C)COC1OC(CO)C(O)C(O)C1NC(C)=O    		 2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
    38690
    UMA
    DB01673
    ZINC000085545647    		 12 C23 H36 N4 O20 P2 InChI=1S/C23H36N4O20P2/c1
    -8(21(35)36)24-19(34)9(2)
    43-18-14(25-10(3)29)22(45
    -11(6-28)16(18)32)46-49(4
    0,41)47-48(38,39)42-7-12-
    15(31)17(33)20(44-12)27-5
    -4-13(30)26-23(27)37/h4-5
    ,8-9,11-12,14-18,20,22,28
    ,31-33H,6-7H2,1-3H3,(H,24
    ,34)(H,25,29)(H,35,36)(H,
    38,39)(H,40,41)(H,26,30,3
    7)/t8-,9+,11+,12+,14+,15+
    ,16+,17+,18+,20+,22+/m0/s
    1;
    NTMMCWJNQNKACG-KBKUWGQMSA-N    		 CC(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)NC
    3=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)=O; C[C@@H](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[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)N3C=CC(=O)NC3=O)[C@@H]1NC(
    C)=O)C(O)=O; O=P(OC1OC(C(O)C(OC(C(=O)NC(
    C(=O)O)C)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3
    OC(N2C=CC(=O)NC2=O)C(O)C3O    		 URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
    38691
    UMB
    CHEMBL4876311    		 1 C19 H21 N3 O3 InChI=1S/C19H21N3O3/c1-20
    -19(25)17-9-13(18(24)22-1
    5-10-16(23)11-15)8-14(21-
    17)7-12-5-3-2-4-6-12/h2-6
    ,8-9,15-16,23H,7,10-11H2,
    1H3,(H,20,25)(H,22,24)/t1
    5-,16-;
    FQRNJZDJWMGBEX-WKILWMFISA-N    		 CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@@H]
    3C[C@@H](O)C3; CNC(=O)c1cc(cc(n1)Cc2cccc
    c2)C(=O)NC3CC(C3)O; CNC(=O)c1cc(cc(Cc2cc
    ccc2)n1)C(=O)N[CH]3C[CH](O)C3    		 6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide;
    ~{N}2-methyl-~{N}4-(3-oxidanylcyclobutyl)-6-(phenylmethyl)pyridine-2,4-dicarboxamide
    38692
    UMC
    CHEMBL3144338    		 16 C9 H15 N2 O8 P InChI=1S/C9H15N2O8P/c12-5
    -3-8(11-2-1-7(13)10-9(11)
    14)19-6(5)4-18-20(15,16)1
    7/h5-6,8,12H,1-4H2,(H,10,
    13,14)(H2,15,16,17)/t5-,6
    +,8+/m0/s1;
    WQQZADPPRABIFU-SHYZEUOFSA-N    		 O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O
    )NC2=O; C1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O
    )(O)O)O; O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC
    1)CC2O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(
    O)=O)N2CCC(=O)NC2=O; C1CN(C(=O)NC1=O)[C@
    H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O    		 2'-deoxy-5'-uridylic acid
    38693
    UME    		 1 C19 H21 N5 O InChI=1S/C19H21N5O/c1-4-2
    0-19(25)15-10-16(13(2)14-
    8-6-5-7-9-14)21-17(11-15)
    18-12-24(3)23-22-18/h5-13
    H,4H2,1-3H3,(H,20,25)/t13
    -/m0/s1;
    LOEKXZDIARTPMM-ZDUSSCGKSA-N    		 CCNC(=O)c1cc(nc(c1)c2cn(C)nn2)[CH](C)c3c
    cccc3; CCNC(=O)c1cc(nc(c1)c2cn(C)nn2)[C@
    @H](C)c3ccccc3; CCNC(=O)c1cc(nc(c1)C(C)c
    2ccccc2)c3cn(nn3)C    		 N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide;
    ~{N}-ethyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(1-phenylethyl)pyridine-4-carboxamide
    38694
    UMF
    DB03155
    ZINC000033821548    		 2 C9 H12 F N2 O8 P InChI=1S/C9H12FN2O8P/c10-
    6-7(20-21(16,17)18)4(3-13
    )19-8(6)12-2-1-5(14)11-9(
    12)15/h1-2,4,6-8,13H,3H2,
    (H,11,14,15)(H2,16,17,18)
    /t4-,6-,7-,8-/m1/s1;
    IFIXUMAFUNKIAA-XVFCMESISA-N    		 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)CO)OP(=O)(O)O)F; OC[CH]1O[CH]([CH]
    (F)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O; O=
    C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2F)CO;
    C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)(O
    )O)F; OC[C@H]1O[C@H]([C@H](F)[C@@H]1O[P]
    (O)(O)=O)N2C=CC(=O)NC2=O    		 2'-FLUORO-2'-DEOXYURIDINE 3'-MONOPHOSPHATE;
    1-(2-DEOXY-2-FLUORO-3-O-PHOSPHONO-BETA-L-RIBOFURANOSYL)PYRIMIDINE-2,4(1H,3H)-DIONE
    38695
    UMG
    DB04268
    ZINC000098209497    		 1 C34 H47 N3 O18 InChI=1S/C34H47N3O18/c1-1
    2-7-22(44)50-18-8-16(5-6-
    17(12)18)49-32-24(36-14(3
    )42)28(47)30(20(10-39)52-
    32)55-34-25(37-15(4)43)29
    (48)31(21(11-40)53-34)54-
    33-23(35-13(2)41)27(46)26
    (45)19(9-38)51-33/h5-8,19
    -21,23-34,38-40,45-48H,9-
    11H2,1-4H3,(H,35,41)(H,36
    ,42)(H,37,43)/t19-,20-,21
    -,23-,24-,25-,26-,27-,28-
    ,29-,30-,31-,32+,33+,34+/
    m1/s1;
    BNYGKUQXGBVTRE-ITRNKESMSA-N    		 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO
    )O[C@H]1O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C
    @@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC
    (C)=O)[C@H](O[C@@H]3CO)Oc4ccc5C(=CC(=O)O
    c5c4)C; O=C5Oc4c(ccc(OC3OC(C(OC2OC(C(OC1
    OC(CO)C(O)C(O)C1NC(=O)C)C(O)C2NC(=O)C)CO
    )C(O)C3NC(=O)C)CO)c4)C(=C5)C; CC1=CC(=O)
    Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H](
    [C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([
    C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C
    @H](O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)
    C; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[C
    H]1O[CH]2[CH](O)[CH](NC(C)=O)[CH](O[CH]2
    CO)O[CH]3[CH](O)[CH](NC(C)=O)[CH](O[CH]3
    CO)Oc4ccc5C(=CC(=O)Oc5c4)C; CC1=CC(=O)Oc
    2c1ccc(c2)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4
    )CO)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)O)NC(=O
    )C)O)NC(=O)C    		 METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE;
    METHYLUMBELLIFERYL CHITOTRIOSE
    38696
    UMH
    CHEMBL3228131
    ZINC000032099217    		 1 C11 H9 N O3 InChI=1S/C11H9NO3/c1-15-9
    -2-3-10-7(5-9)4-8(6-12-10
    )11(13)14/h2-6H,1H3,(H,13
    ,14);
    QSFFBQNKTUMKNW-UHFFFAOYSA-N    		 COc1ccc2ncc(cc2c1)C(O)=O; COc1ccc2c(c1)c
    c(cn2)C(=O)O    		 6-methoxyquinoline-3-carboxylic acid
    38697
    UMI    		 1 C29 H31 F3 N4 O3 InChI=1S/C29H31F3N4O3/c30
    -29(31,32)23-5-3-4-20(12-
    23)14-28(18-34-24-9-8-21(
    17-37)27(13-24)36(38)39)1
    0-11-35(19-28)16-22-15-33
    -26-7-2-1-6-25(22)26/h1-9
    ,12-13,15,33-34,37-39H,10
    -11,14,16-19H2/t28-/m0/s1;
    KGLHSGWEBHLIGL-NDEPHWFRSA-N    		 c1ccc2c(c1)c(c[nH]2)CN3CCC(C3)(Cc4cccc(c
    4)C(F)(F)F)CNc5ccc(c(c5)N(O)O)CO; c1ccc2
    c(c1)c(c[nH]2)CN3CC[C@](C3)(Cc4cccc(c4)C
    (F)(F)F)CNc5ccc(c(c5)N(O)O)CO; OCc1ccc(N
    C[C@]2(CCN(Cc3c[nH]c4ccccc34)C2)Cc5cccc(
    c5)C(F)(F)F)cc1N(O)O; OCc1ccc(NC[C]2(CCN
    (Cc3c[nH]c4ccccc34)C2)Cc5cccc(c5)C(F)(F)
    F)cc1N(O)O; FC(F)(F)c1cccc(c1)CC1(CCN(Cc
    2c[NH]c3ccccc23)C1)CNc1ccc(CO)c(c1)N(O)O    		 [2-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol
    38698
    UMJ
    CHEMBL4748685
    ZINC000000121898    		 1 C15 H18 N2 O2 InChI=1S/C15H18N2O2/c1-15
    (2,3)13-9-12(14(18)19)17(
    16-13)10-11-7-5-4-6-8-11/
    h4-9H,10H2,1-3H3,(H,18,19
    );
    IJXYLILRNVOJNF-UHFFFAOYSA-N    		 CC(C)(C)c1cc(n(n1)Cc2ccccc2)C(=O)O; CC(C
    )(C)c1cc(n(Cc2ccccc2)n1)C(O)=O; c2cccc(C
    n1c(C(O)=O)cc(n1)C(C)(C)C)c2    		 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid
    38699
    UMK
    CHEMBL1505419
    ZINC000000155093    		 1 C11 H14 Br N O InChI=1S/C11H14BrNO/c12-1
    0-3-1-9(2-4-10)11(14)5-7-
    13-8-6-11/h1-4,13-14H,5-8
    H2;
    QNLXJYQUWCNYBH-UHFFFAOYSA-N    		 c1cc(ccc1C2(CCNCC2)O)Br; OC1(CCNCC1)c2cc
    c(Br)cc2; Brc1ccc(cc1)C2(O)CCNCC2    		 4-(4-BROMOPHENYL)PIPERIDIN-4-OL
    38700
    UML
    CHEMBL1777829    		 2 C34 H55 N7 O24 P2 InChI=1S/C34H55N7O24P2/c1
    -14(28(49)39-18(32(53)54)
    7-8-21(44)38-17(31(51)52)
    6-4-5-10-35)36-29(50)15(2
    )61-27-23(37-16(3)43)33(6
    3-19(12-42)25(27)47)64-67
    (58,59)65-66(56,57)60-13-
    20-24(46)26(48)30(62-20)4
    1-11-9-22(45)40-34(41)55/
    h9,11,14-15,17-20,23-27,3
    0,33,42,46-48H,4-8,10,12-
    13,35H2,1-3H3,(H,36,50)(H
    ,37,43)(H,38,44)(H,39,49)
    (H,51,52)(H,53,54)(H,56,5
    7)(H,58,59)(H,40,45,55)/t
    14-,15+,17-,18+,19+,20+,2
    3+,24+,25+,26+,27+,30+,33
    +/m0/s1;
    WXBLSQNZKMJACT-BYEZXYKXSA-N    		 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN
    )C(=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)OP(=O)(O)OP
    (=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3
    C=CC(=O)NC3=O)O)O)NC(=O)C; 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)N3C=CC(=O)NC3=O)[C@@H]1NC
    (C)=O)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C
    (O)=O)C(O)=O; CC(C(=O)NC(CCC(=O)NC(CCCCN
    )C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)C
    O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(
    =O)NC3=O)O)O)NC(=O)C; O=C(O)C(NC(=O)CCC(
    C(=O)O)NC(=O)C(NC(=O)C(OC3C(O)C(OC(OP(=O
    )(OP(=O)(OCC2OC(N1C=CC(=O)NC1=O)C(O)C2O)
    O)O)C3NC(=O)C)CO)C)C)CCCCN; 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[C
    H](CCC(=O)N[CH](CCCCN)C(O)=O)C(O)=O    		 Uridine 5'Diphospho N-acetyl muramoyl-L-Alanyl-D-Glutamyl-L-Lysine
    38701
    UMM    		 2 C28 H42 N4 O7 InChI=1S/C28H42N4O7/c1-18
    (2)23(30-27(36)39-28(3,4)
    5)24(33)29-22-17-19-10-8-
    11-20(16-19)37-14-6-7-15-
    38-26(35)21-12-9-13-32(31
    -21)25(22)34/h8,10-11,16,
    18,21-23,31H,6-7,9,12-15,
    17H2,1-5H3,(H,29,33)(H,30
    ,36)/t21-,22-,23-/m0/s1;
    BZQRBTRFLXZFDJ-VABKMULXSA-N    		 CC(C)[C@@H](C(=O)N[C@H]1Cc2cccc(c2)OCCCC
    OC(=O)[C@@H]3CCCN(C1=O)N3)NC(=O)OC(C)(C)
    C; CC(C)[CH](NC(=O)OC(C)(C)C)C(=O)N[CH]1
    Cc2cccc(OCCCCOC(=O)[CH]3CCC[N](N3)C1=O)c
    2; CC(C)C(C(=O)NC1Cc2cccc(c2)OCCCCOC(=O)
    C3CCCN(C1=O)N3)NC(=O)OC(C)(C)C; CC(C)[C@
    H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2cccc(O
    CCCCOC(=O)[C@@H]3CCC[N@@](N3)C1=O)c2; CC
    (C)(OC(NC(C(=O)NC3Cc1cccc(c1)OCCCCOC(=O)
    C2CCCN(N2)C3=O)C(C)C)=O)C    		 tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
    38702
    UMN
    CHEMBL4868536    		 1 C29 H30 Cl N5 O4 InChI=1S/C29H30ClN5O4/c30
    -24-14-31-28(32-21-8-11-3
    9-12-9-21)33-26(24)19-5-6
    -20-15-35(27(38)22(20)13-
    19)16-25(37)34-29(17-36)1
    0-7-18-3-1-2-4-23(18)29/h
    1-6,13-14,21,36H,7-12,15-
    17H2,(H,34,37)(H,31,32,33
    )/t29-/m1/s1;
    ANSUETKROJEMSJ-GDLZYMKVSA-N    		 c1ccc2c(c1)CCC2(CO)NC(=O)CN3Cc4ccc(cc4C3
    =O)c5c(cnc(n5)NC6CCOCC6)Cl; c1ccc2c(c1)C
    C[C@]2(CO)NC(=O)CN3Cc4ccc(cc4C3=O)c5c(cn
    c(n5)NC6CCOCC6)Cl; OC[C]1(CCc2ccccc12)NC
    (=O)CN3Cc4ccc(cc4C3=O)c5nc(NC6CCOCC6)ncc
    5Cl; OC[C@@]1(CCc2ccccc12)NC(=O)CN3Cc4cc
    c(cc4C3=O)c5nc(NC6CCOCC6)ncc5Cl    		 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide
    38703
    UMO    		 0 C10 H14 F N2 O9 P InChI=1S/C10H14FN2O9P/c1-
    20-10(4-21-23(17,18)19)7(
    15)6(11)8(22-10)13-3-2-5(
    14)12-9(13)16/h2-3,6-8,15
    H,4H2,1H3,(H,12,14,16)(H2
    ,17,18,19)/t6-,7+,8-,10-/
    m1/s1;
    ZYOWQXVTIIKUDO-IBCQBUCCSA-N    		 CO[C]1(CO[P](O)(O)=O)O[CH]([CH](F)[CH]1O
    )N2C=CC(=O)NC2=O; CO[C@]1(CO[P](O)(O)=O)
    O[C@H]([C@H](F)[C@@H]1O)N2C=CC(=O)NC2=O;
    CO[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O
    )NC2=O)F)O)COP(=O)(O)O; C2(N1C(NC(=O)C=C
    1)=O)C(F)C(C(OC)(O2)COP(O)(=O)O)O; COC1(
    C(C(C(O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O    		 2'-F-4'-OMe U;
    [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
    38704
    UMP
    CHEMBL211312
    DB03800
    ZINC000004228260    		 963 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c12-5
    -3-8(11-2-1-7(13)10-9(11)
    14)19-6(5)4-18-20(15,16)1
    7/h1-2,5-6,8,12H,3-4H2,(H
    ,10,13,14)(H2,15,16,17)/t
    5-,6+,8+/m0/s1;
    JSRLJPSBLDHEIO-SHYZEUOFSA-N    		 O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O;
    O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=
    O)NC2=O; C1[C@@H]([C@H](O[C@H]1N2C=CC(=O
    )NC2=O)COP(=O)(O)O)O; O[C@H]1C[C@@H](O[C
    @@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O; C1C(
    C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O    		 2'-DEOXYURIDINE 5'-MONOPHOSPHATE;
    DUMP
    38705
    UMQ
    DB02686
    ZINC000058649715    		 0 C23 H44 O11 InChI=1S/C23H44O11/c1-2-3
    -4-5-6-7-8-9-10-11-31-22-
    20(30)18(28)21(15(13-25)3
    3-22)34-23-19(29)17(27)16
    (26)14(12-24)32-23/h14-30
    H,2-13H2,1H3/t14-,15-,16-
    ,17+,18-,19-,20-,21-,22-,
    23-/m1/s1;
    UYEMNFYVTFDKRG-ZNGNCRBCSA-N    		 CCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O
    2)CO)O)O)O)O)O; CCCCCCCCCCCO[C@H]1[C@@H]
    ([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]
    ([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O; O(C
    CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C
    (O)C2O)CO; CCCCCCCCCCCO[CH]1O[CH](CO)[CH
    ](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[C
    H](O)[CH]1O; CCCCCCCCCCCO[C@@H]1O[C@H](C
    O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H]
    (O)[C@H]2O)[C@H](O)[C@H]1O    		 UNDECYL-MALTOSIDE;
    UNDECYL-BETA-D-MALTOPYRANOSIDE
    38706
    UMR    		 4 C23 H26 Cl2 N4 O2 S InChI=1S/C23H26Cl2N4O2S/c
    1-3-16-14-28(15-19-7-4-5-
    10-27-19)23(30)22-9-6-8-2
    1(16)29(22)32(31,26-2)20-
    12-17(24)11-18(25)13-20/h
    3-5,7,10-13,16,21-22H,1,6
    ,8-9,14-15H2,2H3/t16-,21+
    ,22-,32-/m0/s1;
    DQVUTGFTLVPMDO-WVGZOYKRSA-N    		 CN=[S](=O)(N1[CH]2CCC[CH]1C(=O)N(C[CH]2C
    =C)Cc3ccccn3)c4cc(Cl)cc(Cl)c4; CN=[S@](=
    O)(N1[C@@H]2CCC[C@H]1C(=O)N(C[C@@H]2C=C)
    Cc3ccccn3)c4cc(Cl)cc(Cl)c4; CN=[S@@](=O)
    (c1cc(cc(c1)Cl)Cl)N2[C@@H]3CCC[C@H]2C(=O
    )N(C[C@@H]3C=C)Cc4ccccn4; CN=S(=O)(c1cc(
    cc(c1)Cl)Cl)N2C3CCCC2C(=O)N(CC3C=C)Cc4cc
    ccn4    		 (1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
    38707
    UMS    		 0 C10 H15 N2 O8 P Se InChI=1S/C10H15N2O8PSe/c1
    -22-8-7(14)5(4-19-21(16,1
    7)18)20-9(8)12-3-2-6(13)1
    1-10(12)15/h2-3,5,7-9,14H
    ,4H2,1H3,(H,11,13,15)(H2,
    16,17,18)/t5-,7-,8-,9-/m1
    /s1;
    PADIGPKUSVFCBC-ZOQUXTDFSA-N    		 C[Se]C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)
    O)O; C[Se][C@@H]1[C@H](O)[C@@H](CO[P](O)
    (O)=O)O[C@H]1N2C=CC(=O)NC2=O; O=C1NC(=O)
    N(C=C1)C2OC(C(O)C2[Se]C)COP(=O)(O)O; C[S
    e][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N
    2C=CC(=O)NC2=O; C[Se][C@@H]1[C@@H]([C@H]
    (O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O    		 2'-METHYLSELENYL-2'-DEOXYURIDINE-5'-PHOSPHATE
    38708
    UMT
    CHEMBL5202939    		 1 C18 H20 N4 O InChI=1S/C18H20N4O/c1-2-4
    -17-16(3-1)14(13-20-17)5-
    6-15-7-8-19-18(21-15)22-9
    -11-23-12-10-22/h1-4,7-8,
    13,20H,5-6,9-12H2;
    UEMXDZGQUZIRAH-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4
    ; C1CN(CCO1)c2nccc(CCc3c[nH]c4ccccc34)n2    		 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
    38709
    UMV    		 2 C27 H23 N3 O6 InChI=1S/C27H23N3O6/c1-17
    -21-13-18(16-28)7-8-20(21
    )19(15-26(32)34-2)14-24(1
    7)36-23-6-4-3-5-22(23)35-
    12-11-30-10-9-25(31)29-27
    (30)33/h3-10,13-14H,11-12
    ,15H2,1-2H3,(H,29,31,33);
    NMVRVCAJVLRWGN-UHFFFAOYSA-N    		 c3c(c(Oc2c(C)c1cc(C#N)ccc1c(c2)CC(=O)OC)
    ccc3)OCCN4C=CC(NC4=O)=O; Cc1c2cc(ccc2c(c
    c1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC(=O)OC)C
    #N; COC(=O)Cc1cc(Oc2ccccc2OCCN3C=CC(=O)N
    C3=O)c(C)c4cc(ccc14)C#N    		 methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate
    38710
    UMW
    ZINC000050243960    		 0 C8 H18 N2 O InChI=1S/C8H18N2O/c1-8(2,
    11)6-10-4-3-7(9)5-10/h7,1
    1H,3-6,9H2,1-2H3/t7-/m0/s
    1;
    VDMURYIBJNVHLD-ZETCQYMHSA-N    		 CC(C)(CN1CC[C@@H](C1)N)O; CC(C)(O)CN1CC[
    CH](N)C1; CC(C)(CN1CCC(C1)N)O; CC(C)(O)C
    N1CC[C@H](N)C1    		 1-[(3~{S})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol
    38711
    UMX
    ZINC000064436655    		 0 C12 H17 N2 O8 P InChI=1S/C12H17N2O8P/c1-6
    -4-12(5-21-23(18,19)20)9(
    16)8(6)10(22-12)14-3-2-7(
    15)13-11(14)17/h2-3,6,8-1
    0,16H,4-5H2,1H3,(H,13,15,
    17)(H2,18,19,20)/t6-,8+,9
    -,10+,12+/m0/s1;
    BIKPERMTZJFCSY-UNUCDPEXSA-N    		 C[C@H]1C[C@]2(CO[P](O)(O)=O)O[C@H]([C@H]
    1[C@@H]2O)N3C=CC(=O)NC3=O; C[CH]1C[C]2(C
    O[P](O)(O)=O)O[CH]([CH]1[CH]2O)N3C=CC(=O
    )NC3=O; CC1CC2(C(C1C(O2)N3C=CC(=O)NC3=O)
    O)COP(=O)(O)O; C[C@H]1C[C@]2([C@H]([C@@H
    ]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)
    O; O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(
    C(C2)C)C3O    		 [(1R,3R,4R,5S,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
    38712
    UMY
    CHEMBL3967150    		 1 C24 H18 F N3 O4 InChI=1S/C24H18FN3O4/c1-1
    5-18-12-16(14-26)6-7-17(1
    8)19(25)13-22(15)32-21-5-
    3-2-4-20(21)31-11-10-28-9
    -8-23(29)27-24(28)30/h2-9
    ,12-13H,10-11H2,1H3,(H,27
    ,29,30);
    OIPOKGOOHCBAPR-UHFFFAOYSA-N    		 Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)N
    C4=O)F)C#N; Cc1c(Oc2ccccc2OCCN3C=CC(=O)N
    C3=O)cc(F)c4ccc(cc14)C#N; c2(c1c(cc(cc1)
    C#N)c(C)c(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O
    )F    		 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile
    38713
    UMZ
    CHEMBL195634
    ZINC000012365460    		 1 C14 H13 N3 InChI=1S/C14H13N3/c1-2-4-
    14-13(3-1)11(9-16-14)5-6-
    12-7-8-15-10-17-12/h1-4,7
    -10,16H,5-6H2;
    VEEXILNZSSXTHF-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)CCc3ccncn3; C(Cc1c[n
    H]c2ccccc12)c3ccncn3    		 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole
    38714
    UN1
    CHEMBL88804
    ZINC000001532798    		 27 C6 H11 N O4 InChI=1S/C6H11NO4/c7-4(6(
    10)11)2-1-3-5(8)9/h4H,1-3
    ,7H2,(H,8,9)(H,10,11)/t4-
    /m0/s1;
    OYIFNHCXNCRBQI-BYPYZUCNSA-N    		 C(CC(C(=O)O)N)CC(=O)O; N[C@@H](CCCC(O)=O
    )C(O)=O; N[CH](CCCC(O)=O)C(O)=O; O=C(O)C
    CCC(N)C(=O)O; C(C[C@@H](C(=O)O)N)CC(=O)O    		 2-AMINOHEXANEDIOIC ACID
    38715
    UN2    		 0 C4 H9 N O4 InChI=1S/C4H9NO4/c5-2(4(8
    )9)1-3(6)7/h2-3,6-7H,1,5H
    2,(H,8,9)/t2-/m0/s1;
    NVZWSDYYWDDQAN-REOHCLBHSA-N    		 C(C(C(=O)O)N)C(O)O; N[C@@H](CC(O)O)C(O)=
    O; O=C(O)C(N)CC(O)O; C([C@@H](C(=O)O)N)C
    (O)O; N[CH](CC(O)O)C(O)=O    		 2-AMINO-4,4-DIHYDROXYBUTANOIC ACID
    38716
    UN3
    DB04800
    ZINC000012504518    		 1 C10 H11 N3 O3 S InChI=1S/C10H11N3O3S/c1-1
    3-10(12-17(14,15)16)7-9(1
    1-13)8-5-3-2-4-6-8/h2-7,1
    2H,1H3,(H,14,15,16);
    OTZLVSGSRPNRFT-UHFFFAOYSA-N    		 O=S(=O)(O)Nc1cc(nn1C)c2ccccc2; Cn1c(cc(n
    1)c2ccccc2)NS(=O)(=O)O; Cn1nc(cc1N[S](O)
    (=O)=O)c2ccccc2    		 (2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID;
    1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID
    38717
    UN4
    CHEMBL271591
    DB02898
    ZINC000005955002    		 1 C10 H12 N6 O2 InChI=1S/C10H12N6O2/c11-1
    0-15-8-7(12-4-13-8)9(16-1
    0)18-3-5-1-2-6(17)14-5/h4
    -5H,1-3H2,(H,14,17)(H3,11
    ,12,13,15,16)/t5-/m1/s1;
    UYPMMHCTXQIWDX-RXMQYKEDSA-N    		 c1[nH]c2c(n1)c(nc(n2)N)OCC3CCC(=O)N3; O=
    C1NC(CC1)COc3nc(nc2c3ncn2)N; c1[nH]c2c(n
    1)c(nc(n2)N)OC[C@H]3CCC(=O)N3; Nc1nc2[nH
    ]cnc2c(OC[CH]3CCC(=O)N3)n1; Nc1nc2[nH]cn
    c2c(OC[C@H]3CCC(=O)N3)n1    		 5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-2-PYRROLIDINONE
    38718
    UN5
    CHEMBL204337
    ZINC000014952759    		 1 C20 H24 N4 O8 S2 InChI=1S/C20H24N4O8S2/c1-
    21-20(26)18-11-14-6-7-17(
    23-34(30,31)32)10-15(14)1
    2-24(18)19(25)8-5-13-3-2-
    4-16(9-13)22-33(27,28)29/
    h2-4,6-7,9-10,18,22-23H,5
    ,8,11-12H2,1H3,(H,21,26)(
    H,27,28,29)(H,30,31,32)/t
    18-/m0/s1;
    VXWOHWHCMDFHJS-SFHVURJKSA-N    		 CNC(=O)[CH]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C
    (=O)CCc3cccc(N[S](O)(=O)=O)c3; O=S(=O)(O
    )Nc1cccc(c1)CCC(=O)N3C(C(=O)NC)Cc2c(cc(c
    c2)NS(=O)(=O)O)C3; CNC(=O)C1Cc2ccc(cc2CN
    1C(=O)CCc3cccc(c3)NS(=O)(=O)O)NS(=O)(=O)
    O; CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3c
    ccc(c3)NS(=O)(=O)O)NS(=O)(=O)O; CNC(=O)[
    C@@H]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C(=O)CC
    c3cccc(N[S](O)(=O)=O)c3    		 {3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID
    38719
    UN6
    CHEMBL206655
    ZINC000014952768    		 1 C16 H19 N3 O7 S2 InChI=1S/C16H19N3O7S2/c20
    -16(8-7-12-3-1-5-14(9-12)
    18-27(21,22)23)17-11-13-4
    -2-6-15(10-13)19-28(24,25
    )26/h1-6,9-10,18-19H,7-8,
    11H2,(H,17,20)(H,21,22,23
    )(H,24,25,26);
    UWGCDTODPMLETQ-UHFFFAOYSA-N    		 O[S](=O)(=O)Nc1cccc(CCC(=O)NCc2cccc(N[S]
    (O)(=O)=O)c2)c1; O=S(=O)(O)Nc1cc(ccc1)CN
    C(=O)CCc2cccc(NS(=O)(=O)O)c2; c1cc(cc(c1
    )NS(=O)(=O)O)CCC(=O)NCc2cccc(c2)NS(=O)(=
    O)O    		 (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID
    38720
    UN7
    CHEMBL205997
    ZINC000014952763    		 1 C21 H23 N3 O7 S InChI=1S/C21H23N3O7S/c1-2
    2-20(26)18-11-14-6-7-17(2
    3-32(29,30)31)10-16(14)12
    -24(18)19(25)8-5-13-3-2-4
    -15(9-13)21(27)28/h2-4,6-
    7,9-10,18,23H,5,8,11-12H2
    ,1H3,(H,22,26)(H,27,28)(H
    ,29,30,31)/t18-/m0/s1;
    AQIMGTQPGXDDPP-SFHVURJKSA-N    		 CNC(=O)[CH]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C
    (=O)CCc3cccc(c3)C(O)=O; CNC(=O)C1Cc2ccc(
    cc2CN1C(=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)
    O; O=C(O)c1cc(ccc1)CCC(=O)N3C(C(=O)NC)Cc
    2c(cc(cc2)NS(=O)(=O)O)C3; CNC(=O)[C@@H]1
    Cc2ccc(N[S](O)(=O)=O)cc2CN1C(=O)CCc3cccc
    (c3)C(O)=O; CNC(=O)[C@@H]1Cc2ccc(cc2CN1C
    (=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)O    		 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID
    38721
    UN8
    CHEMBL245018
    ZINC000016052078    		 1 C27 H28 F N7 O4 S InChI=1S/C27H28FN7O4S/c1-
    3-4-13-34-25-24(26(36)35(
    27(34)37)15-19-7-5-6-8-21
    (19)28)30-22(31-25)14-18-
    9-11-20(12-10-18)32-40(38
    ,39)23-16-33(2)17-29-23/h
    5-12,16-17,32H,3-4,13-15H
    2,1-2H3,(H,30,31);
    OWJCXBGUTOMZTE-UHFFFAOYSA-N    		 O=S(=O)(c1ncn(c1)C)Nc2ccc(cc2)Cc4nc3N(C(
    =O)N(C(=O)c3n4)Cc5ccccc5F)CCCC; CCCCN1c2
    c([nH]c(n2)Cc3ccc(cc3)NS(=O)(=O)c4cn(cn4
    )C)C(=O)N(C1=O)Cc5ccccc5F; CCCCN1C(=O)N(
    Cc2ccccc2F)C(=O)c3[nH]c(Cc4ccc(N[S](=O)(
    =O)c5cn(C)cn5)cc4)nc13    		 N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE
    38722
    UN9
    CHEMBL426560
    DB08687
    ZINC000000007670    		 21 C12 H9 Cl N2 O4 InChI=1S/C12H9ClN2O4/c13-
    11-7-4-2-1-3-6(7)10(18)9(
    15-11)12(19)14-5-8(16)17/
    h1-4,18H,5H2,(H,14,19)(H,
    16,17);
    OUQVKRKGTAUJQA-UHFFFAOYSA-N    		 OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O; c1ccc2
    c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O; O=C(O)CN
    C(=O)c1nc(Cl)c2c(c1O)cccc2    		 N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
    38723
    UNA
    CHEMBL1236576
    DB04093
    ZINC000001595727    		 4 C11 H22 O InChI=1S/C11H22O/c1-2-3-4
    -5-6-7-8-9-10-11-12/h11H,
    2-10H2,1H3;
    KMPQYAYAQWNLME-UHFFFAOYSA-N    		 O=CCCCCCCCCCC; CCCCCCCCCCC=O UNDECANAL
    38724
    UNB
    CHEMBL1196664
    ZINC000016051814    		 1 C27 H26 N4 O4 S InChI=1S/C27H26N4O4S/c1-1
    7-9-14-23(31-36(34,35)24-
    8-4-6-19-5-2-3-7-21(19)24
    )26(33)22(17)15-25(32)30-
    16-18-10-12-20(13-11-18)2
    7(28)29/h2-14,31,33H,15-1
    6H2,1H3,(H3,28,29)(H,30,3
    2);
    KWJVADNYZMUTJY-UHFFFAOYSA-N    		 O=S(=O)(Nc1ccc(c(c1O)CC(=O)NCc2ccc(C(=[N
    @H])N)cc2)C)c4c3ccccc3ccc4; [H]N=C(c1ccc
    (cc1)CNC(=O)Cc2c(ccc(c2O)NS(=O)(=O)c3ccc
    c4c3cccc4)C)N; [H]/N=C(\c1ccc(cc1)CNC(=O
    )Cc2c(ccc(c2O)NS(=O)(=O)c3cccc4c3cccc4)C
    )/N; Cc1ccc(N[S](=O)(=O)c2cccc3ccccc23)c
    (O)c1CC(=O)NCc4ccc(cc4)C(N)=N    		 N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE
    38725
    UNC
    DB03099
    ZINC000006452765    		 9 C4 H4 N4 O4 InChI=1S/C4H4N4O4/c5-1-2(
    8(11)12)6-4(10)7-3(1)9/h5
    H2,(H2,6,7,9,10);
    CLOSWQFGCBFNCK-UHFFFAOYSA-N    		 O=[N+]([O-])C1=C(C(=O)NC(=O)N1)N; C1(=C(
    NC(=O)NC1=O)[N+](=O)[O-])N; NC1=C(NC(=O)
    NC1=O)[N+]([O-])=O    		 5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)-DIONE;
    5-AMINO 6-NITRO URACIL
    38726
    UND
    CHEMBL132474
    ZINC000001693211    		 0 C11 H24 InChI=1S/C11H24/c1-3-5-7-
    9-11-10-8-6-4-2/h3-11H2,1
    -2H3;
    RSJKGSCJYJTIGS-UHFFFAOYSA-N    		 CCCCCCCCCCC; C(CCCCCCCC)CC UNDECANE;
    LIPID FRAGMENT
    38727
    UNE
    CHEMBL1738915
    ZINC000002532865    		 1 C10 H7 Br O4 InChI=1S/C10H7BrO4/c1-14-
    7-4-6(11)2-5-3-8(10(12)13
    )15-9(5)7/h2-4H,1H3,(H,12
    ,13);
    OEICZFFUNDGUEF-UHFFFAOYSA-N    		 COc1cc(Br)cc2cc(oc12)C(O)=O; COc1cc(cc2c
    1oc(c2)C(=O)O)Br; O=C(O)c2oc1c(OC)cc(Br)
    cc1c2    		 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid
    38728
    UNH
    ZINC000028522994    		 1 C35 H54 N6 O8 InChI=1S/C35H54N6O8/c1-6-
    13-25(30(43)34(47)37-19-2
    7(42)40-28(31(36)44)23-14
    -9-7-10-15-23)38-32(45)26
    (18-21(2)3)39-33(46)29(24
    -16-11-8-12-17-24)41-35(4
    8)49-20-22(4)5/h7,9-10,14
    -15,21-22,24-26,28-29H,6,
    8,11-13,16-20H2,1-5H3,(H2
    ,36,44)(H,37,47)(H,38,45)
    (H,39,46)(H,40,42)(H,41,4
    8)/t25-,26-,28-,29-/m0/s1;
    CSOCTFLGSKTNFD-DZXSPZCNSA-N    		 CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]
    (NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O
    )N[C@H](C(N)=O)c2ccccc2; CCC[C@@H](C(=O)
    C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N)NC(=
    O)[C@H](CC(C)C)NC(=O)[C@H](C2CCCCC2)NC(=
    O)OCC(C)C; O=C(N)C(c1ccccc1)NC(=O)CNC(=O
    )C(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCC(C)C)C2
    CCCCC2)CC(C)C)CCC; CCCC(C(=O)C(=O)NCC(=O
    )NC(c1ccccc1)C(=O)N)NC(=O)C(CC(C)C)NC(=O
    )C(C2CCCCC2)NC(=O)OCC(C)C; CCC[CH](NC(=O
    )[CH](CC(C)C)NC(=O)[CH](NC(=O)OCC(C)C)C1
    CCCCC1)C(=O)C(=O)NCC(=O)N[CH](C(N)=O)c2c
    cccc2    		 ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER
    38729
    UNI
    ZINC000003873405    		 2 C28 H28 N2 O5 S InChI=1S/C28H28N2O5S/c29-
    17-18-10-14-22(15-11-18)3
    6(33,34)30-21-7-5-6-20(16
    -21)25(19-12-13-19)26-27(
    31)23-8-3-1-2-4-9-24(23)3
    5-28(26)32/h5-7,10-11,14-
    16,19,25,30-31H,1-4,8-9,1
    2-13H2/t25-/m0/s1;
    VCYQENLVFRTJIC-VWLOTQADSA-N    		 c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)C#N)[C@H]
    (C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O; OC1=C(
    [CH](C2CC2)c3cccc(N[S](=O)(=O)c4ccc(cc4)
    C#N)c3)C(=O)OC5=C1CCCCCC5; OC1=C([C@@H](
    C2CC2)c3cccc(N[S](=O)(=O)c4ccc(cc4)C#N)c
    3)C(=O)OC5=C1CCCCCC5; N#Cc1ccc(cc1)S(=O)
    (=O)Nc2cccc(c2)C(C3=C(O)C4=C(OC3=O)CCCCC
    C4)C5CC5; c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2
    )C#N)C(C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O    		 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE
    38730
    UNJ
    CHEMBL1738916
    ZINC000000151407    		 1 C9 H5 Br O3 InChI=1S/C9H5BrO3/c10-6-1
    -2-7-5(3-6)4-8(13-7)9(11)
    12/h1-4H,(H,11,12);
    QKUWZCOVKRUXKX-UHFFFAOYSA-N    		 c1cc2c(cc1Br)cc(o2)C(=O)O; O=C(O)c2oc1cc
    c(Br)cc1c2; OC(=O)c1oc2ccc(Br)cc2c1    		 5-bromo-1-benzofuran-2-carboxylic acid
    38731
    UNK
    CHEMBL1230782
    ZINC000000901351    		 62 C4 H9 N O2 InChI=1S/C4H9NO2/c1-2-3(5
    )4(6)7/h3H,2,5H2,1H3,(H,6
    ,7)/t3-/m0/s1;
    QWCKQJZIFLGMSD-VKHMYHEASA-N    		 CCC(C(=O)O)N; CC[C@@H](C(=O)O)N; CC[C@H]
    (N)C(O)=O; CC[CH](N)C(O)=O; O=C(O)C(N)CC    		 UNKNOWN
    38732
    UNL    		 0 ? ;
    		 Unknown ligand
    38733
    UNM
    CHEMBL1782530
    ZINC000101419217    		 1 C15 H17 Br N2 O3 InChI=1S/C15H17BrN2O3/c16
    -9-5-8-6-13(15(19)20)21-1
    4(8)12(7-9)18-11-3-1-10(1
    7)2-4-11/h5-7,10-11,18H,1
    -4,17H2,(H,19,20)/t10-,11
    +;
    BLBAWGODFTZAEY-PHIMTYICSA-N    		 c1c2cc(oc2c(cc1Br)NC3CCC(CC3)N)C(=O)O; O
    =C(O)c2oc1c(cc(Br)cc1c2)NC3CCC(N)CC3; N[
    CH]1CC[CH](CC1)Nc2cc(Br)cc3cc(oc23)C(O)=
    O; N[C@@H]1CC[C@@H](CC1)Nc2cc(Br)cc3cc(o
    c23)C(O)=O    		 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid
    38734
    UNN
    CHEMBL42632
    DB03678
    ZINC000012503826    		 3 C23 H19 F2 N3 InChI=1S/C23H19F2N3/c1-15
    (22(16-8-4-2-5-9-16)17-10
    -6-3-7-11-17)28-23-18-12-
    19(24)20(25)13-21(18)26-1
    4-27-23/h2-15,22H,1H3,(H,
    26,27,28)/t15-/m0/s1;
    WVGZKPGUHOZIJQ-HNNXBMFYSA-N    		 CC(C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3
    )F)F; Fc4cc1c(ncnc1NC(C)C(c2ccccc2)c3ccc
    cc3)cc4F; C[C@H](Nc1ncnc2cc(F)c(F)cc12)C
    (c3ccccc3)c4ccccc4; C[C@@H](C(c1ccccc1)c
    2ccccc2)Nc3c4cc(c(cc4ncn3)F)F; C[CH](Nc1
    ncnc2cc(F)c(F)cc12)C(c3ccccc3)c4ccccc4    		 (6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE
    38735
    UNP
    ZINC000098209498    		 6 C9 H16 N3 O14 P3 InChI=1S/C9H16N3O14P3/c13
    -5-1-2-12(9(16)10-5)8-7(1
    5)6(14)4(25-8)3-24-29(22,
    23)26-28(20,21)11-27(17,1
    8)19/h1-2,4,6-8,14-15H,3H
    2,(H,22,23)(H,10,13,16)(H
    4,11,17,18,19,20,21)/t4-,
    6-,7-,8-/m1/s1;
    MCBVWUSULWKVON-XVFCMESISA-N    		 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P]
    (O)(=O)N[P](O)(O)=O)N2C=CC(=O)NC2=O; O[C
    @H]1[C@@H](O)[C@@H](O[C@@H]1CO[P@](O)(=O
    )O[P@](O)(=O)N[P](O)(O)=O)N2C=CC(=O)NC2=
    O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O
    )OP(=O)(NP(=O)(O)O)O)O)O; C1=CN(C(=O)NC1
    =O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](
    =O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O; O=P(O)
    (O)NP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O
    )C=C1)C(O)C2O    		 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine
    38736
    UNQ
    CHEMBL1782513
    ZINC000101419191    		 1 C19 H20 N4 O3 InChI=1S/C19H20N4O3/c20-1
    3-2-4-14(5-3-13)22-18-10-
    21-9-15(23-18)11-1-6-16-1
    2(7-11)8-17(26-16)19(24)2
    5/h1,6-10,13-14H,2-5,20H2
    ,(H,22,23)(H,24,25)/t13-,
    14-;
    SEAHTYRLTWEUCM-HDJSIYSDSA-N    		 N[CH]1CC[CH](CC1)Nc2cncc(n2)c3ccc4oc(cc4
    c3)C(O)=O; N[C@H]1CC[C@@H](CC1)Nc2cncc(n
    2)c3ccc4oc(cc4c3)C(O)=O; c1cc2c(cc1c3cnc
    c(n3)NC4CCC(CC4)N)cc(o2)C(=O)O; O=C(O)c2
    oc1ccc(cc1c2)c4nc(NC3CCC(N)CC3)cnc4    		 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid
    38737
    UNR
    CHEMBL99553
    ZINC000001887267    		 1 C8 H14 N O7 P2 InChI=1S/C8H13NO7P2/c1-9-
    4-2-3-7(6-9)5-8(10,17(11,
    12)13)18(14,15)16/h2-4,6,
    10H,5H2,1H3,(H3-,11,12,13
    ,14,15,16)/p+1;
    BBNRLGQPSIXFHZ-UHFFFAOYSA-O    		 O=P(O)(O)C(O)(P(=O)(O)O)Cc1ccc[n+](c1)C;
    C[n+]1cccc(c1)CC(O)(P(=O)(O)O)P(=O)(O)O
    ; C[n+]1cccc(CC(O)([P](O)(O)=O)[P](O)(O)
    =O)c1    		 3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium
    38738
    UNS
    CHEMBL3955409    		 1 C25 H20 F N3 O4 InChI=1S/C25H20FN3O4/c1-1
    5-11-22(16(2)20-12-17(14-
    27)3-5-19(15)20)33-21-6-4
    -18(26)13-23(21)32-10-9-2
    9-8-7-24(30)28-25(29)31/h
    3-8,11-13H,9-10H2,1-2H3,(
    H,28,30,31);
    JOZUOHBWIKONKE-UHFFFAOYSA-N    		 Cc1cc(c(c2c1ccc(c2)C#N)C)Oc3ccc(cc3OCCN4
    C=CC(=O)NC4=O)F; Cc1cc(Oc2ccc(F)cc2OCCN3
    C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N; c2(c1c
    (cc(cc1)C#N)c(C)c(c2)Oc4ccc(cc4OCCN3C=CC
    (=O)NC3=O)F)C    		 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
    38739
    UNT
    CHEMBL594034
    ZINC000013974182    		 2 C24 H24 N4 O3 InChI=1S/C24H24N4O3/c1-17
    -21(27-23(31-17)20-7-3-2-
    4-8-20)9-5-6-18-10-12-19(
    13-11-18)16-22(24(29)30)2
    8-25-14-15-26-28/h2-4,7-8
    ,10-15,22H,5-6,9,16H2,1H3
    ,(H,29,30)/t22-/m0/s1;
    MBNINRCJDJMURD-QFIPXVFZSA-N    		 Cc1oc(nc1CCCc2ccc(C[C@H](n3nccn3)C(O)=O)
    cc2)c4ccccc4; Cc1c(nc(o1)c2ccccc2)CCCc3c
    cc(cc3)CC(C(=O)O)n4nccn4; Cc1c(nc(o1)c2c
    cccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4nccn
    4; Cc1oc(nc1CCCc2ccc(C[CH](n3nccn3)C(O)=
    O)cc2)c4ccccc4; O=C(O)C(n1nccn1)Cc2ccc(c
    c2)CCCc3nc(oc3C)c4ccccc4    		 (2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid
    38740
    UNU
    CHEMBL267373
    ZINC000000152996    		 14 C7 H7 N O InChI=1S/C7H7NO/c8-7(9)6-
    4-2-1-3-5-6/h1-5H,(H2,8,9
    );
    KXDAEFPNCMNJSK-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)N; O=C(N)c1ccccc1; NC(=O)
    c1ccccc1    		 BENZAMIDE
    38741
    UNV
    CHEMBL317313
    ZINC000026733744    		 1 C8 H11 N O6 P2 InChI=1S/C8H11NO6P2/c10-1
    6(11,12)8(17(13,14)15)4-6
    -2-1-3-9-7(6)5-8/h1-3H,4-
    5H2,(H2,10,11,12)(H2,13,1
    4,15);
    BKUBDCZNHKIXPI-UHFFFAOYSA-N    		 c1cc2c(nc1)CC(C2)(P(=O)(O)O)P(=O)(O)O; O
    [P](O)(=O)C1(Cc2cccnc2C1)[P](O)(O)=O; O=
    P(O)(O)C2(Cc1cccnc1C2)P(=O)(O)O    		 6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)
    38742
    UNW
    CHEMBL4847468    		 1 C29 H30 Cl N5 O3 InChI=1S/C29H30ClN5O3/c30
    -25-15-31-29(32-23-9-12-3
    8-13-10-23)33-27(25)20-7-
    8-22-17-35(28(37)24(22)14
    -20)18-26(36)34-11-3-6-19
    -4-1-2-5-21(19)16-34/h1-2
    ,4-5,7-8,14-15,23H,3,6,9-
    13,16-18H2,(H,31,32,33);
    IGCMZDAOWJBAOH-UHFFFAOYSA-N    		 c1ccc2c(c1)CCCN(C2)C(=O)CN3Cc4ccc(cc4C3=
    O)c5c(cnc(n5)NC6CCOCC6)Cl; Clc1cnc(NC2CC
    OCC2)nc1c3ccc4CN(CC(=O)N5CCCc6ccccc6C5)C
    (=O)c4c3    		 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one;
    ASTX029
    38743
    UNX    		 0 X ;
    		 * UNKNOWN ATOM OR ION
    38744
    UNY
    CHEMBL4548211    		 1 C21 H23 F N2 O6 S InChI=1S/C21H23FN2O6S/c1-
    21(20(26)23-27,31(3,28)29
    )8-9-24-12-14-10-13(4-6-1
    7(14)19(24)25)16-7-5-15(3
    0-2)11-18(16)22/h4-7,10-1
    1,27H,8-9,12H2,1-3H3,(H,2
    3,26)/t21-/m1/s1;
    BYDRVBMZUCDIRW-OAQYLSRUSA-N    		 C[C@@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)
    (C(=O)NO)S(=O)(=O)C; CC(CCN1Cc2cc(ccc2C1
    =O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C; CO
    c1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C)(C(=O)
    NO)[S](C)(=O)=O)Cc3c2; COc1ccc(c(F)c1)c2
    ccc3C(=O)N(CC[C@](C)(C(=O)NO)[S](C)(=O)=
    O)Cc3c2    		 (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
    38745
    UNZ    		 1 C21 H23 F N2 O6 S InChI=1S/C21H23FN2O6S/c1-
    21(20(26)23-27,31(3,28)29
    )8-9-24-12-14-10-13(4-6-1
    7(14)19(24)25)16-7-5-15(3
    0-2)11-18(16)22/h4-7,10-1
    1,27H,8-9,12H2,1-3H3,(H,2
    3,26)/t21-/m0/s1;
    BYDRVBMZUCDIRW-NRFANRHFSA-N    		 CC(CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=
    O)NO)S(=O)(=O)C; COc1ccc(c(F)c1)c2ccc3C(
    =O)N(CC[C@@](C)(C(=O)NO)[S](C)(=O)=O)Cc3
    c2; COc1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C)
    (C(=O)NO)[S](C)(=O)=O)Cc3c2; C[C@](CCN1C
    c2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=
    O)(=O)C    		 (2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
    38746
    UO1
    CHEMBL3810055
    ZINC000263620811    		 2 C19 H18 N2 O3 InChI=1S/C19H18N2O3/c1-12
    -8-9-15(24)10-18(12)21(14
    (3)23)19-11-20(13(2)22)17
    -7-5-4-6-16(17)19/h4-11,2
    4H,1-3H3;
    NXETYAFZIDRMKK-UHFFFAOYSA-N    		 CC(=O)n1cc(N(C(C)=O)c2cc(O)ccc2C)c3ccccc
    13; CC(=O)n1c3c(c(c1)N(c2cc(ccc2C)O)C(C)
    =O)cccc3; Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=
    O)C)C(=O)C)O    		 N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
    38747
    UO2    		 4 C18 H21 N5 O3 S InChI=1S/C18H21N5O3S/c1-1
    1(19)18(24)20-13-7-8-16-1
    5(10-13)17(22-21-16)12-5-
    4-6-14(9-12)27(25,26)23(2
    )3/h4-11H,19H2,1-3H3,(H,2
    0,24)(H,21,22)/t11-/m0/s1;
    HKVYLIVZRUYPKC-NSHDSACASA-N    		 C[C@H](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S
    ](=O)(=O)N(C)C)c2c1; C[CH](N)C(=O)Nc1ccc
    2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1;
    CC(C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)
    S(=O)(=O)N(C)C)N; C[C@@H](C(=O)Nc1ccc2c(
    c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N    		 (2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide
    38748
    UO3    		 1 C15 H21 N4 O S2 InChI=1S/C15H21N4OS2/c1-2
    -3-4-5-9-22-13-17-14(20)1
    9(15(21)18-13)11-12-7-6-8
    -16-10-12/h6-8,10H,2-5,9,
    11H2,1H3,(H2,17,18,20,21);
    AAGCVGJIZNRQQT-UHFFFAOYSA-N    		 CCCCCCSC1=NC(=[N](C(=N1)S)Cc2cccnc2)O; C
    CCCCCSc1nc(O)[n](Cc2cccnc2)c(S)n1    		 4-hexylsulfanyl-1-(pyridin-3-ylmethyl)-6-sulfanyl-1$l^{4},3,5-triazacyclohexa-1,3,5-trien-2-ol
    38749
    UO4
    CHEMBL3985848    		 1 C28 H25 N3 O4 InChI=1S/C28H25N3O4/c1-18
    -23-15-20(17-29)8-9-22(23
    )21(14-19-6-7-19)16-26(18
    )35-25-5-3-2-4-24(25)34-1
    3-12-31-11-10-27(32)30-28
    (31)33/h2-5,8-11,15-16,19
    H,6-7,12-14H2,1H3,(H,30,3
    2,33);
    VAFJQCGXOLTBQY-UHFFFAOYSA-N    		 Cc1c(Oc2ccccc2OCCN3C=CC(=O)NC3=O)cc(CC4C
    C4)c5ccc(cc15)C#N; Cc1c2cc(ccc2c(cc1Oc3c
    cccc3OCCN4C=CC(=O)NC4=O)CC5CC5)C#N; c1c(
    c(ccc1)Oc3c(C)c2cc(C#N)ccc2c(c3)CC4CC4)O
    CCN5C=CC(NC5=O)=O    		 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile
    38750
    UO5
    CHEMBL4850133    		 1 C29 H30 Cl N5 O3 InChI=1S/C29H30ClN5O3/c30
    -25-16-31-29(32-23-9-13-3
    8-14-10-23)33-27(25)21-5-
    6-22-17-35(28(37)24(22)15
    -21)18-26(36)34-11-7-19-3
    -1-2-4-20(19)8-12-34/h1-6
    ,15-16,23H,7-14,17-18H2,(
    H,31,32,33);
    CDIPSADLEIZARJ-UHFFFAOYSA-N    		 c1ccc2c(c1)CCN(CC2)C(=O)CN3Cc4ccc(cc4C3=
    O)c5c(cnc(n5)NC6CCOCC6)Cl; Clc1cnc(NC2CC
    OCC2)nc1c3ccc4CN(CC(=O)N5CCc6ccccc6CC5)C
    (=O)c4c3    		 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one
    38751
    UO6
    CHEMBL69234
    ZINC000100001914    		 3 C14 H14 N3 O12 P S2 InChI=1S/C14H14N3O12PS2/c
    1-7-13(19)9(5-18)10(6-29-
    30(20,21)22)14(15-7)17-16
    -11-3-2-8(31(23,24)25)4-1
    2(11)32(26,27)28/h2-5,19H
    ,6H2,1H3,(H2,20,21,22)(H,
    23,24,25)(H,26,27,28)/b17
    -16+;
    PNFZSRRRZNXSMF-WUKNDPDISA-N    		 Cc1nc(N=Nc2ccc(cc2[S](O)(=O)=O)[S](O)(=O
    )=O)c(CO[P](O)(O)=O)c(C=O)c1O; Cc1c(c(c(
    c(n1)N=Nc2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)C
    OP(=O)(O)O)C=O)O; Cc1c(c(c(c(n1)/N=N/c2c
    cc(cc2S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O)
    C=O)O    		 4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid;
    Ppads
    38752
    UO7
    CHEMBL4167017    		 1 C28 H35 N5 O5 InChI=1S/C28H35N5O5/c1-16
    (2)25-26(35)30-17(3)27(36
    )33-12-6-8-23(32-33)28(37
    )38-18(4)19-10-11-20-15-2
    9-22(14-21(20)13-19)7-5-9
    -24(34)31-25/h5,7,10-11,1
    3-18,23,25,32H,6,8-9,12H2
    ,1-4H3,(H,30,35)(H,31,34)
    /b7-5+/t17-,18+,23-,25-/m
    0/s1;
    MGYHGMOTCTUOQS-NGJNAYBBSA-N    		 CC(C)[CH]1NC(=O)CC=Cc2cc3cc(ccc3cn2)[CH]
    (C)OC(=O)[CH]4CCC[N](N4)C(=O)[CH](C)NC1=
    O; CC1c2ccc3cnc(cc3c2)C=CCC(=O)NC(C(=O)N
    C(C(=O)N4CCCC(N4)C(=O)O1)C)C(C)C; CC(C)[
    C@@H]1NC(=O)C\C=C\c2cc3cc(ccc3cn2)[C@@H]
    (C)OC(=O)[C@@H]4CCC[N@@](N4)C(=O)[C@H](C
    )NC1=O; C(C)(C)C1C(=O)NC(C(=O)N4CCCC(C(=
    O)OC(c3cc2cc(C=CCC(N1)=O)ncc2cc3)C)N4)C;
    C[C@@H]1c2ccc3cnc(cc3c2)/C=C/CC(=O)N[C@
    H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O
    1)C)C(C)C    		 (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
    38753
    UO8
    CHEMBL1736694
    ZINC000017314824    		 2 C11 H15 N5 S InChI=1S/C11H15N5S/c12-11
    -14-9-8(10(17)15-11)13-6-
    16(9)7-4-2-1-3-5-7/h6-7H,
    1-5H2,(H3,12,14,15,17);
    PKVXHQDYPCXSAD-UHFFFAOYSA-N    		 NC1=NC(=S)c2ncn(C3CCCCC3)c2N1; c1nc2c(n1
    C3CCCCC3)NC(=NC2=S)N    		 2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione
    38754
    UO9    		 4 C24 H37 N3 O9 S2 InChI=1S/C24H37N3O9S2/c1-
    15(2)12-18(27-23(31)36-14
    -24(3,4)37(32)17-8-6-5-7-
    9-17)21(29)26-19(22(30)38
    (33,34)35)13-16-10-11-25-
    20(16)28/h5-9,15-16,18-19
    ,22,30H,10-14H2,1-4H3,(H,
    25,28)(H,26,29)(H,27,31)(
    H,33,34,35)/t16-,18-,19-,
    22+,37-/m0/s1;
    SNFBJKJTJOFDKW-NRANLDPGSA-N    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)[C@H](O)S(=O)(=O)O)NC(=O)OCC(C)(C)S(=O
    )c2ccccc2; CC(C)C[CH](NC(=O)OCC(C)(C)[S]
    (=O)c1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[C
    H](O)[S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1CC
    NC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)S(=O
    )c2ccccc2; CC(C)C[C@H](NC(=O)OCC(C)(C)[S
    @@](=O)c1ccccc1)C(=O)N[C@@H](C[C@@H]2CCN
    C2=O)[C@H](O)[S](O)(=O)=O; CC(C)CC(NC(=O
    )OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1
    =O)C(O)S(=O)(=O)O    		 (2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid
    38755
    UOA    		 0 C11 H17 N2 O10 P InChI=1S/C11H17N2O10P/c1-
    20-7-8(15)11(21-2,5-22-24
    (17,18)19)23-9(7)13-4-3-6
    (14)12-10(13)16/h3-4,7-9,
    15H,5H2,1-2H3,(H,12,14,16
    )(H2,17,18,19)/t7-,8+,9-,
    11-/m1/s1;
    PQPFDVLUCHRYPP-PKIKSRDPSA-N    		 CO[C@@H]1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC
    2=O)(COP(=O)(O)O)OC)O; COC1C(OC(C1O)(OC)
    COP(O)(=O)O)N2C(NC(=O)C=C2)=O; CO[C@@H]1
    [C@H](O)[C@](CO[P](O)(O)=O)(OC)O[C@H]1N2
    C=CC(=O)NC2=O; COC1C(C(OC1N2C=CC(=O)NC2=
    O)(COP(=O)(O)O)OC)O; CO[CH]1[CH](O)[C](C
    O[P](O)(O)=O)(OC)O[CH]1N2C=CC(=O)NC2=O    		 [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
    38756
    UOB    		 0 C11 H17 N2 O10 P InChI=1S/C11H17N2O10P/c1-
    20-7-8(15)11(21-2,5-22-24
    (17,18)19)23-9(7)13-4-3-6
    (14)12-10(13)16/h3-4,7-9,
    15H,5H2,1-2H3,(H,12,14,16
    )(H2,17,18,19)/t7-,8+,9-,
    11+/m1/s1;
    PQPFDVLUCHRYPP-LOKLDPHHSA-N    		 CO[C@@H]1[C@H](O)[C@@](CO[P](O)(O)=O)(OC
    )O[C@H]1N2C=CC(=O)NC2=O; C1(OC(C(C1OC)O)
    (COP(O)(=O)O)OC)N2C(NC(C=C2)=O)=O; COC1C
    (C(OC1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O;
    CO[C@@H]1[C@@H]([C@@](O[C@H]1N2C=CC(=O)
    NC2=O)(COP(=O)(O)O)OC)O; CO[CH]1[CH](O)[
    C](CO[P](O)(O)=O)(OC)O[CH]1N2C=CC(=O)NC2
    =O    		 2'-OMe,4'beta-OMe uridine 5'-(dihydrogen phosphate)
    38757
    UOC
    CHEMBL1236582
    DB08688
    ZINC000001529305    		 8 C11 H22 O InChI=1S/C11H22O/c1-3-4-5
    -6-7-8-9-10-11(2)12/h3-10
    H2,1-2H3;
    KYWIYKKSMDLRDC-UHFFFAOYSA-N    		 O=C(CCCCCCCCC)C; CCCCCCCCCC(=O)C; CCCCCC
    CCCC(C)=O    		 undecan-2-one
    38758
    UOD
    CHEMBL4168950    		 1 C30 H39 N5 O5 InChI=1S/C30H39N5O5/c1-17
    (2)25-26(36)31-18(3)27(37
    )35-15-7-8-23(34-35)28(38
    )40-19(4)22-12-11-21-10-9
    -20(16-24(21)32-22)13-14-
    30(5,6)29(39)33-25/h9-14,
    16-19,23,25,34H,7-8,15H2,
    1-6H3,(H,31,36)(H,33,39)/
    b14-13+/t18-,19+,23-,25-/
    m0/s1;
    XCZDYKRNHKYRTQ-HQHUNAKVSA-N    		 CC(C)[CH]1NC(=O)C(C)(C)C=Cc2ccc3ccc(nc3c
    2)[CH](C)OC(=O)[CH]4CCC[N](N4)C(=O)[CH](
    C)NC1=O; CC(C)[C@@H]1NC(=O)C(C)(C)\C=C\c
    2ccc3ccc(nc3c2)[C@@H](C)OC(=O)[C@@H]4CCC
    [N@@](N4)C(=O)[C@H](C)NC1=O; C[C@@H]1c2c
    cc3ccc(cc3n2)/C=C/C(C(=O)N[C@H](C(=O)N[C
    @H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C)(
    C)C; c1cc2nc4c1ccc(C=CC(C(=O)NC(C(NC(C(N
    3CCCC(C(OC2C)=O)N3)=O)C)=O)C(C)C)(C)C)c4
    ; CC1c2ccc3ccc(cc3n2)C=CC(C(=O)NC(C(=O)N
    C(C(=O)N4CCCC(N4)C(=O)O1)C)C(C)C)(C)C    		 (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
    38759
    UOE
    CHEMBL4856124    		 1 C32 H39 Cl N8 O4 InChI=1S/C32H39ClN8O4/c1-
    20(30(43)37-27(19-42)26-4
    -3-5-28(36-26)40-12-10-39
    (2)11-13-40)41-18-22-7-6-
    21(16-24(22)31(41)44)29-2
    5(33)17-34-32(38-29)35-23
    -8-14-45-15-9-23/h3-7,16-
    17,20,23,27,42H,8-15,18-1
    9H2,1-2H3,(H,37,43)(H,34,
    35,38)/t20-,27-/m1/s1;
    FOWKCJGRLFZWNL-NFQMXDRXSA-N    		 CC(C(=O)NC(CO)c1cccc(n1)N2CCN(CC2)C)N3Cc
    4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl; C[
    CH](N1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3
    Cl)C(=O)N[CH](CO)c5cccc(n5)N6CCN(C)CC6;
    C[C@H](C(=O)N[C@H](CO)c1cccc(n1)N2CCN(CC
    2)C)N3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC
    6)Cl; C[C@@H](N1Cc2ccc(cc2C1=O)c3nc(NC4C
    COCC4)ncc3Cl)C(=O)N[C@H](CO)c5cccc(n5)N6
    CCN(C)CC6    		 (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide
    38760
    UOF    		 2 C18 H16 Cl2 N2 O3 InChI=1S/C18H16Cl2N2O3/c1
    9-12-9-13(20)16(11-5-2-1-
    3-6-11)14(10-12)21-18(25)
    22-8-4-7-15(22)17(23)24/h
    1-3,5-6,9-10,15H,4,7-8H2,
    (H,21,25)(H,23,24)/t15-/m
    1/s1;
    WDPIFBOVEHBEDQ-OAHLLOKOSA-N    		 c1ccc(cc1)c2c(cc(cc2Cl)Cl)NC(=O)N3CCC[C@
    @H]3C(=O)O; OC(=O)C1CCCN1C(=O)Nc1cc(Cl)c
    c(Cl)c1c1ccccc1; OC(=O)[C@H]1CCCN1C(=O)N
    c2cc(Cl)cc(Cl)c2c3ccccc3; c1ccc(cc1)c2c(
    cc(cc2Cl)Cl)NC(=O)N3CCCC3C(=O)O; OC(=O)[
    CH]1CCCN1C(=O)Nc2cc(Cl)cc(Cl)c2c3ccccc3    		 1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
    38761
    UOG
    CHEMBL4173004    		 1 C30 H39 N5 O5 InChI=1S/C30H39N5O5/c1-17
    (2)25-27(37)32-19(4)28(38
    )35-15-7-8-23(34-35)26(36
    )31-18(3)22-12-11-21-10-9
    -20(16-24(21)33-22)13-14-
    30(5,6)29(39)40-25/h9-14,
    16-19,23,25,34H,7-8,15H2,
    1-6H3,(H,31,36)(H,32,37)/
    b14-13+/t18-,19+,23+,25+/
    m1/s1;
    YVBYTKCYPFMUBG-FFZLYJDLSA-N    		 C1(NC(C)c4ccc3c(cc(C=CC(C(=O)OC(C(NC(C(N
    2CCCC1N2)=O)C)=O)C(C)C)(C)C)cc3)n4)=O; C
    C1c2ccc3ccc(cc3n2)C=CC(C(=O)OC(C(=O)NC(C
    (=O)N4CCCC(N4)C(=O)N1)C)C(C)C)(C)C; CC(C
    )[CH]1OC(=O)C(C)(C)C=Cc2ccc3ccc(nc3c2)[C
    H](C)NC(=O)[CH]4CCC[N](N4)C(=O)[CH](C)NC
    1=O; C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O
    )O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C
    (=O)N1)C)C(C)C)(C)C; CC(C)[C@@H]1OC(=O)C
    (C)(C)\C=C\c2ccc3ccc(nc3c2)[C@@H](C)NC(=
    O)[C@@H]4CCC[N@@](N4)C(=O)[C@H](C)NC1=O    		 (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
    38762
    UOH
    CHEMBL4869800    		 1 C27 H26 Cl F N8 O4 InChI=1S/C27H26ClFN8O4/c1
    -14(25(39)32-22(13-38)17-
    6-18(29)9-19(7-17)41-3)37
    -12-16-5-4-15(8-20(16)26(
    37)40)24-21(28)10-30-27(3
    4-24)33-23-11-31-36(2)35-
    23/h4-11,14,22,38H,12-13H
    2,1-3H3,(H,32,39)(H,30,33
    ,34,35)/t14-,22-/m1/s1;
    VXELOHCKXQHQRO-JLCFBVMHSA-N    		 COc1cc(F)cc(c1)[CH](CO)NC(=O)[CH](C)N2Cc
    3ccc(cc3C2=O)c4nc(Nc5cnn(C)n5)ncc4Cl; CC
    (C(=O)NC(CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3
    C2=O)c4c(cnc(n4)Nc5cnn(n5)C)Cl; C[C@H](C
    (=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(c
    c3C2=O)c4c(cnc(n4)Nc5cnn(n5)C)Cl; COc1cc
    (F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3c
    cc(cc3C2=O)c4nc(Nc5cnn(C)n5)ncc4Cl    		 (2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide
    38763
    UOI
    ZINC000028576465    		 1 C10 H9 N3 O2 InChI=1S/C10H9N3O2/c1-7-6
    -9(15-13-7)10(14)12-8-2-4
    -11-5-3-8/h2-6H,1H3,(H,11
    ,12,14);
    HPNYMQLDUOKPSU-UHFFFAOYSA-N    		 Cc1cc(on1)C(=O)Nc2ccncc2; Cc2cc(C(Nc1ccn
    cc1)=O)on2    		 3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide
    38764
    UOJ    		 1 C31 H39 N5 O5 InChI=1S/C31H39N5O5/c1-18
    -23-13-12-21-11-10-20(17-
    25(21)34-23)14-15-31(3,4)
    30(40)41-26(22-7-5-8-22)2
    8(38)33-19(2)29(39)36-16-
    6-9-24(35-36)27(37)32-18/
    h10-15,17-19,22,24,26,35H
    ,5-9,16H2,1-4H3,(H,32,37)
    (H,33,38)/b15-14+/t18-,19
    +,24+,26+/m1/s1;
    KKULOCXHXDLVMI-GUQAJDTPSA-N    		 C[C@@H]1NC(=O)[C@@H](OC(=O)C(C)(C)\C=C\c
    2ccc3ccc(nc3c2)[C@@H](C)NC(=O)[C@@H]4CCC
    [N@](N4)C1=O)C5CCC5; C5(C1C(NC(C(N4CCCC(
    C(NC(c3ccc2c(cc(C=CC(C(=O)O1)(C)C)cc2)n3
    )C)=O)N4)=O)C)=O)CCC5; CC1c2ccc3ccc(cc3n
    2)C=CC(C(=O)OC(C(=O)NC(C(=O)N4CCCC(N4)C(
    =O)N1)C)C5CCC5)(C)C; C[C@@H]1c2ccc3ccc(c
    c3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O
    )N4CCC[C@H](N4)C(=O)N1)C)C5CCC5)(C)C; C[
    CH]1NC(=O)[CH](OC(=O)C(C)(C)C=Cc2ccc3ccc
    (nc3c2)[CH](C)NC(=O)[CH]4CCC[N](N4)C1=O)
    C5CCC5    		 (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
    38765
    UOK
    CHEMBL2377609
    ZINC000002389515    		 1 C11 H10 N2 O InChI=1S/C11H10N2O/c1-14-
    9-2-3-11-10(6-9)8(4-5-12)
    7-13-11/h2-3,6-7,13H,4H2,
    1H3;
    ZBQCXEREMRGOCO-UHFFFAOYSA-N    		 COc1ccc2c(c1)c(c[nH]2)CC#N; COc1ccc2[nH]
    cc(CC#N)c2c1    		 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile
    38766
    UOM
    CHEMBL5078248    		 1 C21 H24 N4 O InChI=1S/C21H24N4O/c1-16(
    2)19-6-3-17(4-7-19)13-21(
    26)25-11-9-24(10-12-25)20
    -8-5-18(14-22)15-23-20/h3
    -8,15-16H,9-13H2,1-2H3;
    KJRSRHAWEMYUSP-UHFFFAOYSA-N    		 CC(C)c1ccc(CC(=O)N2CCN(CC2)c3ccc(cn3)C#N
    )cc1; CC(C)c1ccc(cc1)CC(=O)N3CCN(c2ccc(c
    n2)C#N)CC3; CC(C)c1ccc(cc1)CC(=O)N2CCN(C
    C2)c3ccc(cn3)C#N    		 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile
    38767
    UON    		 1 C15 H11 Cl N2 O2 InChI=1S/C15H11ClN2O2/c1-
    20-12-6-7-14-13(8-12)17-1
    5(16)18(14)11-4-2-10(9-19
    )3-5-11/h2-9H,1H3;
    RGYSXOYXQMSTHS-UHFFFAOYSA-N    		 COc1ccc2c(c1)nc(n2c3ccc(cc3)C=O)Cl; COc1
    ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3    		 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
    38768
    UOO    		 8 C15 H24 Br N5 O14 P2 InChI=1S/C15H24BrN5O14P2/
    c16-15-20-7-11(17)18-4-19
    -12(7)21(15)13(26)8(23)5(
    22)1-2-32-36(28,29)35-37(
    30,31)33-3-6-9(24)10(25)1
    4(27)34-6/h4-6,8-10,13-14
    ,22-27H,1-3H2,(H,28,29)(H
    ,30,31)(H2,17,18,19)/t5-,
    6+,8-,9-,10+,13-,14-/m1/s
    1;
    YLKLFNYZVXTMJI-XDPXHJCRSA-N    		 c1nc(c2c(n1)n(c(n2)Br)[C@@H]([C@@H]([C@@
    H](CCOP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@
    @H]([C@@H](O3)O)O)O)O)O)O)N; OC1C(COP(=O
    )(O)OP(=O)(O)OCCC(O)C(O)C(O)n2c3ncnc(N)c
    3nc2Br)OC(O)C1O; c1nc(c2c(n1)n(c(n2)Br)C
    (C(C(CCOP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)O)
    O)O)O)O)O)N; Nc1ncnc2n([C@H](O)[C@H](O)[
    C@H](O)CCO[P](O)(=O)O[P](O)(=O)OC[C@@H]3
    O[C@@H](O)[C@@H](O)[C@@H]3O)c(Br)nc12; N
    c1ncnc2n([CH](O)[CH](O)[CH](O)CCO[P](O)(
    =O)O[P](O)(=O)OC[CH]3O[CH](O)[CH](O)[CH]
    3O)c(Br)nc12    		 (3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
    38769
    UOP    		 1 C19 H20 N6 O InChI=1S/C19H20N6O/c1-14(
    2)15-3-5-16(6-4-15)21-19(
    26)25-11-9-24(10-12-25)18
    -8-7-17(13-20)22-23-18/h3
    -9,11,14H,10,12H2,1-2H3,(
    H,21,26);
    UFOIVYYYFHTAEA-UHFFFAOYSA-N    		 CC(C)c1ccc(cc1)NC(=O)N3C=CN(c2ccc(nn2)C#
    N)CC3; CC(C)c1ccc(NC(=O)N2CCN(C=C2)c3ccc
    (nn3)C#N)cc1; CC(C)c1ccc(cc1)NC(=O)N2CCN
    (C=C2)c3ccc(nn3)C#N    		 4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide
    38770
    UOQ
    ZINC000263620631    		 34 C32 H56 N7 O17 P3 S InChI=1S/C32H56N7O17P3S/c
    1-4-5-6-7-8-9-10-11-21(40
    )17-60-15-14-34-23(41)12-
    13-35-30(44)27(43)32(2,3)
    18-53-59(50,51)56-58(48,4
    9)52-16-22-26(55-57(45,46
    )47)25(42)31(54-22)39-20-
    38-24-28(33)36-19-37-29(2
    4)39/h19-20,22,25-27,31,4
    2-43H,4-18H2,1-3H3,(H,34,
    41)(H,35,44)(H,48,49)(H,5
    0,51)(H2,33,36,37)(H2,45,
    46,47)/t22-,25+,26+,27+,3
    1+/m1/s1;
    JYQFMIDTWJSOBJ-BDQXTIGLSA-N    		 CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C
    (C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H
    ]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)
    O)OP(=O)(O)O)O; CCCCCCCCCC(=O)CSCCNC(=O)
    CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1
    C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O;
    CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C
    (C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH
    ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn
    c23; O=C(CCCCCCCCC)CSCCNC(=O)CCNC(=O)C(O
    )C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1
    c(ncnc12)N)C(O)C3OP(=O)(O)O; CCCCCCCCCC(
    =O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P
    ](O)(=O)O[P](O)(=O)OC[C@H]1O[C@@H]([C@@H
    ](O)[C@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23    		 undeca-2-one coenzyme A
    38771
    UOR
    CHEMBL405828
    ZINC000000253709    		 1 C11 H8 Cl N O2 InChI=1S/C11H8ClNO2/c12-1
    0-4-3-8(7-9(10)11(14)15)1
    3-5-1-2-6-13/h1-7H,(H,14,
    15);
    HPAOLHCBQKYITR-UHFFFAOYSA-N    		 c1ccn(c1)c2ccc(c(c2)C(=O)O)Cl; OC(=O)c1c
    c(ccc1Cl)n2cccc2; O=C(O)c1cc(ccc1Cl)n1cc
    cc1    		 2-chloro-5-(1H-pyrrol-1-yl)benzoic acid
    38772
    UOS
    CHEMBL5094733    		 1 C19 H23 Cl N4 O InChI=1S/C19H23ClN4O/c1-1
    4(2)16-5-3-15(4-6-16)11-1
    9(25)24-9-7-23(8-10-24)18
    -13-21-17(20)12-22-18/h3-
    6,12-14H,7-11H2,1-2H3;
    ZABUHCOUTMKPGC-UHFFFAOYSA-N    		 c1(cnc(cn1)N3CCN(C(Cc2ccc(cc2)C(C)C)=O)C
    C3)Cl; CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3
    cnc(cn3)Cl; CC(C)c1ccc(CC(=O)N2CCN(CC2)c
    3cnc(Cl)cn3)cc1    		 1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one
    38773
    UOT    		 1 C15 H11 Cl N2 O2 InChI=1S/C15H11ClN2O2/c1-
    20-12-6-7-13-14(8-12)18(1
    5(16)17-13)11-4-2-10(9-19
    )3-5-11/h2-9H,1H3;
    RILHAONIURTARS-UHFFFAOYSA-N    		 COc1ccc2c(c1)n(c(n2)Cl)c3ccc(cc3)C=O; CO
    c1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1    		 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
    38774
    UOU    		 1 C22 H22 Cl N O2 InChI=1S/C22H22ClNO2/c1-2
    4-14-17-8-12-21(13-9-17)2
    5-16-19-4-2-3-5-22(19)26-
    15-18-6-10-20(23)11-7-18/
    h2-13,24H,14-16H2,1H3;
    FBMMJKKOOVCCQD-UHFFFAOYSA-N    		 CNCc1ccc(cc1)OCc2ccccc2OCc3ccc(cc3)Cl; C
    NCc1ccc(OCc2ccccc2OCc3ccc(Cl)cc3)cc1    		 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine
    38775
    UOV
    ZINC000097681845    		 9 C21 H24 N2 O2 InChI=1S/C21H24N2O2/c1-16
    -2-4-17(5-3-16)18-6-8-19(
    9-7-18)22-20(24)23-13-10-
    21(11-14-23)12-15-25-21/h
    2-9H,10-15H2,1H3,(H,22,24
    );
    WYXWIBFERBQYBG-UHFFFAOYSA-N    		 Cc1ccc(cc1)c2ccc(NC(=O)N3CCC4(CCO4)CC3)c
    c2; C1N(CCC2(C1)CCO2)C(=O)Nc4ccc(c3ccc(C
    )cc3)cc4; Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3C
    CC4(CC3)CCO4    		 N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
    38776
    UOW
    CHEMBL4866448    		 1 C28 H31 Cl N6 O5 InChI=1S/C28H31ClN6O5/c1-
    16(26(37)33-23(15-36)17-5
    -8-30-24(12-17)39-2)35-14
    -19-4-3-18(11-21(19)27(35
    )38)25-22(29)13-31-28(34-
    25)32-20-6-9-40-10-7-20/h
    3-5,8,11-13,16,20,23,36H,
    6-7,9-10,14-15H2,1-2H3,(H
    ,33,37)(H,31,32,34)/t16-,
    23-/m1/s1;
    ZLOVQLWPDDOBBX-WAIKUNEKSA-N    		 C[C@H](C(=O)N[C@H](CO)c1ccnc(c1)OC)N2Cc3
    ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl; COc
    1cc(ccn1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3c
    cc(cc3C2=O)c4nc(NC5CCOCC5)ncc4Cl; CC(C(=
    O)NC(CO)c1ccnc(c1)OC)N2Cc3ccc(cc3C2=O)c4
    c(cnc(n4)NC5CCOCC5)Cl; COc1cc(ccn1)[CH](
    CO)NC(=O)[CH](C)N2Cc3ccc(cc3C2=O)c4nc(NC
    5CCOCC5)ncc4Cl    		 (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide
    38777
    UOX    		 0 C3 H6 N O3 Se InChI=1S/C3H6NO3Se/c4-2(1
    -8-7)3(5)6/h2H,1,4H2,(H,5
    ,6)/q-1/t2-/m0/s1;
    IYJUXUMKLGMZHJ-REOHCLBHSA-N    		 O=C(O)C(N)C[SeH]=O; C(C(C(=O)O)N)[Se-]=O
    ; C([C@@H](C(=O)O)N)[Se-]=O; N[C@@H](C[S
    e-]=O)C(O)=O; N[CH](C[Se-]=O)C(O)=O    		 3-(oxido-lambda~4~-selanyl)-L-alanine
    38778
    UOY
    CHEMBL4751985    		 1 C19 H22 N2 O4 InChI=1S/C19H22N2O4/c1-19
    (2,3)11-15(18(23)24)21-17
    (22)13-9-10-16(20-12-13)2
    5-14-7-5-4-6-8-14/h4-10,1
    2,15H,11H2,1-3H3,(H,21,22
    )(H,23,24)/t15-/m0/s1;
    DASSWHWKVPKLEB-HNNXBMFYSA-N    		 CC(C)(C)CC(C(=O)O)NC(=O)c1ccc(nc1)Oc2ccc
    cc2; CC(C)(C)C[C@@H](C(=O)O)NC(=O)c1ccc(
    nc1)Oc2ccccc2; C(=O)(c1cnc(cc1)Oc2ccccc2
    )NC(C(=O)O)CC(C)(C)C; CC(C)(C)C[CH](NC(=
    O)c1ccc(Oc2ccccc2)nc1)C(O)=O; CC(C)(C)C[
    C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(O)=O    		 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine
    38779
    UOZ    		 8 C21 H27 N5 O13 P2 InChI=1S/C21H27N5O13P2/c2
    2-18-15-20(24-9-23-18)26(
    19(25-15)10-4-2-1-3-5-10)
    14-6-11(27)12(37-14)7-35-
    40(31,32)39-41(33,34)36-8
    -13-16(28)17(29)21(30)38-
    13/h1-5,9,11-14,16-17,21,
    27-30H,6-8H2,(H,31,32)(H,
    33,34)(H2,22,23,24)/t11-,
    12+,13+,14+,16+,17-,21+/m
    0/s1;
    HDAKJMFIHMDGRC-SXAIUVOJSA-N    		 Nc1ncnc2n([CH]3C[CH](O)[CH](CO[P](O)(=O)
    O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)
    O3)c(nc12)c5ccccc5; c1ccc(cc1)c2nc3c(ncn
    c3n2[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)OP(
    =O)(O)OC[C@@H]5[C@H]([C@@H]([C@@H](O5)O)
    O)O)O)N; c1ccc(cc1)c2nc3c(ncnc3n2C4CC(C(
    O4)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)O)O)O
    )O)N; Nc1ncnc2n([C@H]3C[C@H](O)[C@@H](CO
    [P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@@H](O)[
    C@@H](O)[C@@H]4O)O3)c(nc12)c5ccccc5; OC1
    C(COP(=O)(O)OP(=O)(O)OCC2OC(CC2O)n2c3ncn
    c(N)c3nc2c2ccccc2)OC(O)C1O    		 [(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
    38780
    UP0    		 1 C16 H22 O7 InChI=1S/C16H22O7/c1-3-5-
    9-13(16(22)23)10(15(20)21
    )6-8(4-2)11(17)7-12(18)14
    (9)19/h4,9,11,14,17,19H,3
    ,5-7H2,1-2H3,(H,20,21)(H,
    22,23)/b8-4-,13-10-/t9-,1
    1+,14+/m1/s1;
    YFQGJJCDYCWLSI-KRKAZGBPSA-N    		 CCC[C@H]/1[C@H](O)C(=O)C[C@H](O)\C(CC(=C
    /1C(O)=O)/C(O)=O)=C/C; CCCC1C(C(=O)CC(C(
    =CC)CC(=C1C(=O)O)C(=O)O)O)O; CCC[C@H]/1[
    C@@H](C(=O)C[C@@H](/C(=C\C)/C/C(=C1/C(=O
    )O)/C(=O)O)O)O; CCC[CH]1[CH](O)C(=O)C[CH
    ](O)C(CC(=C1C(O)=O)C(O)=O)=CC    		 (1~{Z},3~{R},4~{S},7~{S},8~{Z})-8-ethylidene-4,7-bis(oxidanyl)-5-oxidanylidene-3-propyl-cyclononene-1,2-dicarboxylic acid
    38781
    UP1
    ZINC000098209499    		 0 C15 H23 F N2 O16 P2 InChI=1S/C15H23FN2O16P2/c
    16-8-11(23)9(21)5(3-19)32
    -14(8)33-36(28,29)34-35(2
    6,27)30-4-6-10(22)12(24)1
    3(31-6)18-2-1-7(20)17-15(
    18)25/h1-2,5-6,8-14,19,21
    -24H,3-4H2,(H,26,27)(H,28
    ,29)(H,17,20,25)/t5-,6-,8
    +,9+,10+,11+,12-,13-,14-/
    m1/s1;
    NGTCPFGWXMBZEP-ASADWNOXSA-N    		 OC[C@H]1O[C@H](O[P@](O)(=O)O[P@](O)(=O)O
    C[C@H]2O[C@H]([C@H](O)[C@H]2O)N3C=CC(=O)
    NC3=O)[C@@H](F)[C@H](O)[C@H]1O; O=P(OC1O
    C(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=
    CC(=O)NC2=O)C(O)C3O; C1=CN(C(=O)NC1=O)C2
    C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O
    3)CO)O)O)F)O)O; C1=CN(C(=O)NC1=O)[C@H]2[
    C@@H]([C@H](C(O2)CO[P@](=O)(O)O[P@](=O)(
    O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO
    )O)O)F)O)O; OC[CH]1O[CH](O[P](O)(=O)O[P]
    (O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC
    (=O)NC3=O)[CH](F)[CH](O)[CH]1O    		 URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUOROGALACTOSE
    38782
    UP2
    ZINC000085545850    		 1 C40 H44 N4 O16 InChI=1S/C40H44N4O16/c45-
    33(46)5-1-17-21(9-37(53)5
    4)29-14-27-19(3-7-35(49)5
    0)22(10-38(55)56)30(43-27
    )15-28-20(4-8-36(51)52)24
    (12-40(59)60)32(44-28)16-
    31-23(11-39(57)58)18(2-6-
    34(47)48)26(42-31)13-25(1
    7)41-29/h41-44H,1-16H2,(H
    ,45,46)(H,47,48)(H,49,50)
    (H,51,52)(H,53,54)(H,55,5
    6)(H,57,58)(H,59,60);
    HUHWZXWWOFSFKF-UHFFFAOYSA-N    		 OC(=O)CCc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(C
    c([nH]2)c1CC(O)=O)c(CCC(O)=O)c5CC(O)=O)c
    (CCC(O)=O)c4CC(O)=O)c(CC(O)=O)c3CCC(O)=O
    ; O=C(O)Cc1c(c5nc1Cc2nc(c(c2CCC(=O)O)CC(
    =O)O)Cc3c(c(c(n3)Cc4c(c(c(n4)C5)CC(=O)O)
    CCC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O; C1c2
    c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]
    4)Cc5c(c(c1[nH]5)CCC(=O)O)CC(=O)O)CC(=O)
    O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(
    =O)O    		 UROPORPHYRINOGEN III
    38783
    UP3    		 3 C40 H38 N4 O16 InChI=1S/C40H38N4O16/c45-
    33(46)5-1-17-21(9-37(53)5
    4)29-14-27-19(3-7-35(49)5
    0)22(10-38(55)56)30(43-27
    )15-28-20(4-8-36(51)52)24
    (12-40(59)60)32(44-28)16-
    31-23(11-39(57)58)18(2-6-
    34(47)48)26(42-31)13-25(1
    7)41-29/h13-16,41,44H,1-1
    2H2,(H,45,46)(H,47,48)(H,
    49,50)(H,51,52)(H,53,54)(
    H,55,56)(H,57,58)(H,59,60
    )/b25-13?,26-13-,27-14-,2
    8-15?,29-14-,30-15-,31-16
    -,32-16-;
    VZVFNUAIRVUCEW-XFMUOGEMSA-N    		 c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5
    nc1C(=C5CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)
    O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O
    ; O=C(O)CC1=C(c3nc1cc5nc(cc2nc(C(=C2CC(=
    O)O)CCC(=O)O)cc4c(c(c(c3)n4)CC(=O)O)CCC(
    =O)O)c(c5CCC(=O)O)CC(=O)O)CCC(=O)O; OC(=
    O)CCc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(
    CCC(O)=O)c5CC(O)=O)c(CC(O)=O)c4CCC(O)=O)
    c(CC(O)=O)c3CCC(O)=O)c1CC(O)=O    		 3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
    38784
    UP4
    CHEMBL4741088    		 1 C15 H19 Cl2 N O3 InChI=1S/C15H19Cl2NO3/c1-
    15(2,3)5-4-12(14(20)21)18
    -13(19)9-6-10(16)8-11(17)
    7-9/h6-8,12H,4-5H2,1-3H3,
    (H,18,19)(H,20,21)/t12-/m
    0/s1;
    GTMNLKRWZVHZAV-LBPRGKRZSA-N    		 C(NC(c1cc(Cl)cc(Cl)c1)=O)(C(=O)O)CCC(C)(
    C)C; CC(C)(C)CC[CH](NC(=O)c1cc(Cl)cc(Cl)
    c1)C(O)=O; CC(C)(C)CC[C@H](NC(=O)c1cc(Cl
    )cc(Cl)c1)C(O)=O; CC(C)(C)CC[C@@H](C(=O)
    O)NC(=O)c1cc(cc(c1)Cl)Cl; CC(C)(C)CCC(C(
    =O)O)NC(=O)c1cc(cc(c1)Cl)Cl    		 N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine
    38785
    UP5
    DB03664
    ZINC000263620318    		 1 C19 H28 N7 O24 P5 InChI=1S/C19H28N7O24P5/c2
    0-15-10-16(22-5-21-15)26(
    6-23-10)18-14(31)12(29)8(
    46-18)4-44-52(35,36)48-54
    (39,40)50-55(41,42)49-53(
    37,38)47-51(33,34)43-3-7-
    11(28)13(30)17(45-7)25-2-
    1-9(27)24-19(25)32/h1-2,5
    -8,11-14,17-18,28-31H,3-4
    H2,(H,33,34)(H,35,36)(H,3
    7,38)(H,39,40)(H,41,42)(H
    2,20,21,22)(H,24,27,32)/t
    7-,8-,11-,12-,13-,14-,17-
    ,18-/m1/s1;
    CPTLFMDLEWCNMJ-KPKSGTNCSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O
    [P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(
    =O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=O)
    NC5=O)[CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@
    @H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[
    P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H
    ]4O[C@H]([C@H](O)[C@@H]4O)N5C=CC(=O)NC5=
    O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(cn2)[C
    @H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)
    O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[
    P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O
    4)N5C=CC(=O)NC5=O)O)O)O)O)N; c1nc(c2c(n1
    )n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(
    =O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C
    =CC(=O)NC5=O)O)O)O)O)N    		 P1-(ADENOSINE-5'-P5-(URIDINE-5')PENTAPHOSPHATE
    38786
    UP6
    CHEMBL463480
    DB03718
    ZINC000012503861    		 86 C8 H12 N3 O9 P InChI=1S/C8H12N3O9P/c12-4
    -1-9-11(8(15)10-4)7-6(14)
    5(13)3(20-7)2-19-21(16,17
    )18/h1,3,5-7,13-14H,2H2,(
    H,10,12,15)(H2,16,17,18)/
    t3-,5-,6-,7-/m1/s1;
    LRVZOSYMNMNQFR-SHUUEZRQSA-N    		 C1=NN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)
    O)O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)
    =O)N2N=CC(=O)NC2=O; O[C@H]1[C@@H](O)[C@@
    H](O[C@@H]1CO[P](O)(O)=O)N2N=CC(=O)NC2=O
    ; C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([
    C@H](O2)COP(=O)(O)O)O)O; O=C1N(N=CC(=O)N
    1)C2OC(C(O)C2O)COP(=O)(O)O    		 6-AZA URIDINE 5'-MONOPHOSPHATE;
    6-AZA-UMP
    38787
    UP8
    CHEMBL2420929
    ZINC000000389579    		 2 C8 H7 N O4 InChI=1S/C8H7NO4/c9-5-3-1
    -2-4(7(10)11)6(5)8(12)13/
    h1-3H,9H2,(H,10,11)(H,12,
    13);
    WGLQHUKCXBXUDV-UHFFFAOYSA-N    		 c1cc(c(c(c1)N)C(=O)O)C(=O)O; Nc1cccc(C(O
    )=O)c1C(O)=O    		 3-AMINOBENZENE-1,2-DICARBOXYLIC ACID
    38788
    UP9    		 1 C28 H38 F N7 O3 InChI=1S/C28H38FN7O3/c1-3
    2-8-11-34(12-9-32)27(38)1
    7-5-6-19-22(14-17)31-24-2
    0(26(30)37)15-21(29)25(23
    (19)24)35-7-3-4-18(16-35)
    36-13-10-33(2)28(36)39/h1
    5,17-18,31H,3-14,16H2,1-2
    H3,(H2,30,37)/t17-,18-/m0
    /s1;
    HAKSZOOIIKBVPT-ROUUACIJSA-N    		 CN1CCN(CC1)C(=O)[C@H]2CCc3c(C2)[nH]c4c(c
    c(F)c(N5CCC[C@H](C5)N6CCN(C)C6=O)c34)C(N
    )=O; CN1CCN(CC1)C(=O)[C@H]2CCc3c([nH]c4c
    3c(c(cc4C(=O)N)F)N5CCC[C@H](C5)N6CCN(C6=
    O)C)C2; CN1CCN(CC1)C(=O)C2CCc3c([nH]c4c3
    c(c(cc4C(=O)N)F)N5CCCC(C5)N6CCN(C6=O)C)C
    2; O=C(N1CCN(C)CC1)C1Cc2[NH]c3c(cc(F)c(N
    4CCCC(C4)N4CCN(C)C4=O)c3c2CC1)C(N)=O; CN
    1CCN(CC1)C(=O)[CH]2CCc3c(C2)[nH]c4c(cc(F
    )c(N5CCC[CH](C5)N6CCN(C)C6=O)c34)C(N)=O    		 (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide
    38789
    UPA
    DB03447
    ZINC000015268260    		 2 C19 H24 N7 O12 P InChI=1S/C19H24N7O12P/c20
    -15-10-16(22-5-21-15)26(6
    -23-10)17-13(31)11(29)8(3
    7-17)4-35-39(33,34)38-14-
    12(30)7(3-27)36-18(14)25-
    2-1-9(28)24-19(25)32/h1-2
    ,5-8,11-14,17-18,27,29-31
    H,3-4H2,(H,33,34)(H2,20,2
    1,22)(H,24,28,32)/t7-,8-,
    11-,12-,13-,14-,17-,18-/m
    1/s1;
    QARCCHXXGAIRFS-KPKSGTNCSA-N    		 O=C1C=CN(C(=O)N1)C5OC(CO)C(O)C5OP(=O)(O)
    OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O; c1nc(c2
    c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)
    CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]
    4N5C=CC(=O)NC5=O)CO)O)O)O)N; Nc1ncnc2n(c
    nc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[C@@H]
    4[C@H](O)[C@@H](CO)O[C@H]4N5C=CC(=O)NC5=
    O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(cn2)C3
    C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=CC(=O)N
    C5=O)CO)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[
    CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO)O[C
    H]4N5C=CC(=O)NC5=O)[CH](O)[CH]3O    		 URIDYLYL-2'-5'-PHOSPHO-ADENOSINE
    38790
    UPB
    ZINC000004096951    		 1 C33 H36 N4 O6 InChI=1S/C33H36N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h7-8,13-15,19,34H,2,9-
    12H2,1,3-6H3,(H,36,43)(H,
    37,42)(H,38,39)(H,40,41)/
    b20-7-,26-13-,27-14-,29-1
    5-/t19-/m1/s1;
    SNHIGJASYQUMKZ-NSNBCYBJSA-N    		 C/C=C\1/[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(
    c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CC
    C(=O)O)/C(=C2C)CCC(=O)O)C; CC=C1C(C(=O)N
    C1=CC2=NC(=Cc3c(c(c([nH]3)C=C4C(=C(C(=O)
    N4)C=C)C)C)CCC(=O)O)C(=C2C)CCC(=O)O)C; C
    C=C1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C=C
    4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)
    CCC(O)=O; C\C=C/1[C@@H](C)C(=O)NC/1=C/C2
    =N\C(=C/c3[nH]c(\C=C4/NC(=O)C(=C4C)C=C)c
    (C)c3CCC(O)=O)C(=C2C)CCC(O)=O    		 3-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
    38791
    UPC    		 3 C10 H17 N2 O13 P3 InChI=1S/C10H17N2O13P3/c1
    3-6-3-9(12-2-1-8(14)11-10
    (12)15)24-7(6)4-23-26(16,
    17)5-27(18,19)25-28(20,21
    )22/h1-2,6-7,9,13H,3-5H2,
    (H,16,17)(H,18,19)(H,11,1
    4,15)(H2,20,21,22)/t6-,7+
    ,9+/m0/s1;
    CLYYXAGDTAZMBH-LKEWCRSYSA-N    		 O[CH]1C[CH](O[CH]1CO[P](O)(=O)C[P](O)(=O
    )O[P](O)(O)=O)N2C=CC(=O)NC2=O; O[C@H]1C[
    C@@H](O[C@@H]1CO[P](O)(=O)C[P](O)(=O)O[P
    ](O)(O)=O)N2C=CC(=O)NC2=O; O=P(O)(O)OP(=
    O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C
    C2O; C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(CP
    (=O)(O)OP(=O)(O)O)O)O; C1[C@@H]([C@H](O[
    C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(C[P@@](
    =O)(O)OP(=O)(O)O)O)O    		 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine
    38792
    UPD    		 1 C14 H19 N3 O3 InChI=1S/C14H19N3O3/c1-10
    (18)17-7-5-11(6-8-17)14(1
    9)16-12-3-4-13(20-2)15-9-
    12/h3-4,9,11H,5-8H2,1-2H3
    ,(H,16,19);
    ZIGOYOFMTWMITB-UHFFFAOYSA-N    		 COc1ccc(NC(=O)C2CCN(CC2)C(C)=O)cn1; CC(=
    O)N1CCC(CC1)C(=O)Nc2ccc(nc2)OC; N(c1cnc(
    cc1)OC)C(C2CCN(C(C)=O)CC2)=O    		 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide
    38793
    UPE
    ZINC000098209501    		 0 C18 H22 N3 O9 P InChI=1S/C18H22N3O9P/c22-
    13-8-15(30-14(13)10-29-31
    (26,27)28)21-9-12(17(24)2
    0-18(21)25)16(23)19-7-6-1
    1-4-2-1-3-5-11/h1-5,9,13-
    15,22H,6-8,10H2,(H,19,23)
    (H,20,24,25)(H2,26,27,28)
    /t13-,14+,15+/m0/s1;
    CBTXGTWTWUZPNV-RRFJBIMHSA-N    		 c1ccc(cc1)CCNC(=O)C2=CN(C(=O)NC2=O)C3CC(
    C(O3)COP(=O)(O)O)O; c1ccc(cc1)CCNC(=O)C2
    =CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO
    P(=O)(O)O)O; O=P(O)(O)OCC3OC(N2C(=O)NC(=
    O)C(C(=O)NCCc1ccccc1)=C2)CC3O; O[CH]1C[C
    H](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NCCc3c
    cccc3)C(=O)NC2=O; O[C@H]1C[C@@H](O[C@@H]
    1CO[P](O)(O)=O)N2C=C(C(=O)NCCc3ccccc3)C(
    =O)NC2=O    		 2'-deoxy-5-[(2-phenylethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
    38794
    UPF
    DB02976
    ZINC000015553713    		 5 C15 H23 F N2 O16 P2 InChI=1S/C15H23FN2O16P2/c
    16-8-11(23)9(21)5(3-19)32
    -14(8)33-36(28,29)34-35(2
    6,27)30-4-6-10(22)12(24)1
    3(31-6)18-2-1-7(20)17-15(
    18)25/h1-2,5-6,8-14,19,21
    -24H,3-4H2,(H,26,27)(H,28
    ,29)(H,17,20,25)/t5-,6-,8
    -,9+,10-,11-,12-,13-,14-/
    m1/s1;
    NGTCPFGWXMBZEP-KBQKSTHMSA-N    		 OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O
    )OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(
    =O)NC3=O)[C@H](F)[C@@H](O)[C@H]1O; O=P(O
    C1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N
    2C=CC(=O)NC2=O)C(O)C3O; C1=CN(C(=O)NC1=O
    )C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(
    C(O3)CO)O)O)F)O)O; C1=CN(C(=O)NC1=O)[C@H
    ]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O
    [P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([
    C@H](O3)CO)O)O)F)O)O; OC[CH]1O[CH](O[P](
    O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH
    ]2O)N3C=CC(=O)NC3=O)[CH](F)[CH](O)[CH]1O    		 URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUOROGALACTOSE;
    URIDINE-5'-MONOPHOSPHATE 2-DEOXY-2-FLUORO-GALACTOPYRANOSYL-MONOPHOSPHATE ESTER
    38795
    UPG
    CHEMBL375951
    DB01861
    ZINC000008215472    		 287 C15 H24 N2 O17 P2 InChI=1S/C15H24N2O17P2/c1
    8-3-5-8(20)10(22)12(24)14
    (32-5)33-36(28,29)34-35(2
    6,27)30-4-6-9(21)11(23)13
    (31-6)17-2-1-7(19)16-15(1
    7)25/h1-2,5-6,8-14,18,20-
    24H,3-4H2,(H,26,27)(H,28,
    29)(H,16,19,25)/t5-,6-,8-
    ,9-,10+,11-,12-,13-,14-/m
    1/s1;
    HSCJRCZFDFQWRP-JZMIEXBBSA-N    		 OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[
    C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)N
    C3=O)[C@H](O)[C@@H](O)[C@@H]1O; O=C1C=CN
    (C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3
    OC(C(O)C(O)C3O)CO)O)O; OC[CH]1O[CH](O[P]
    (O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[C
    H]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1
    O; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H](
    [C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H
    ]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)
    O)O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)
    (O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O    		 URIDINE-5'-DIPHOSPHATE-GLUCOSE;
    URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
    38796
    UPH    		 2 C24 H38 N4 O7 InChI=1S/C24H38N4O7/c29-1
    3-21-23(31)24(32)22(30)12
    -26(21)10-4-2-1-3-9-25-19
    -8-7-16(11-20(19)28(33)34
    )27-17-5-6-18(27)15-35-14
    -17/h7-8,11,17-18,21-25,2
    9-32H,1-6,9-10,12-15H2/t1
    7-,18+,21-,22+,23-,24-/m1
    /s1;
    QGCBQROIBSZCHP-OAOHXRHQSA-N    		 c1cc(c(cc1N2[C@@H]3CC[C@H]2COC3)[N+](=O)
    [O-])NCCCCCCN4C[C@@H]([C@H]([C@@H]([C@H]
    4CO)O)O)O; OC[C@@H]1[C@@H](O)[C@H](O)[C@
    @H](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O)N3
    [C@H]4CC[C@@H]3COC4; OC[CH]1[CH](O)[CH](
    O)[CH](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O
    )N3[CH]4CC[CH]3COC4; OCC1C(O)C(O)C(O)CN1
    CCCCCCNc1ccc(cc1[N+]([O-])=O)N1C2CCC1COC
    2; c1cc(c(cc1N2C3CCC2COC3)[N+](=O)[O-])N
    CCCCCCN4CC(C(C(C4CO)O)O)O    		 (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}hexyl)piperidine-3,4,5-triol
    38797
    UPI    		 2 C40 H38 N4 O16 InChI=1S/C40H38N4O16/c45-
    33(46)5-1-17-21(9-37(53)5
    4)29-14-26-19(3-7-35(49)5
    0)23(11-39(57)58)31(43-26
    )16-28-20(4-8-36(51)52)24
    (12-40(59)60)32(44-28)15-
    27-18(2-6-34(47)48)22(10-
    38(55)56)30(42-27)13-25(1
    7)41-29/h13-16,41,44H,1-1
    2H2,(H,45,46)(H,47,48)(H,
    49,50)(H,51,52)(H,53,54)(
    H,55,56)(H,57,58)(H,59,60
    )/b25-13-,26-14-,27-15-,2
    8-16-,29-14-,30-13-,31-16
    -,32-15-;
    DAFUFNRZWDWXJP-JRHDEHKPSA-N    		 c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5
    nc1C(=C5CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)
    O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O
    ; OC(=O)CCc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc
    (c2)c(CC(O)=O)c5CCC(O)=O)c(CC(O)=O)c4CCC
    (O)=O)c(CC(O)=O)c3CCC(O)=O)c1CC(O)=O; c1
    \c2c(c(c([nH]2)cc3nc(/cc\4/c(c(c([nH]4)c
    c5n/c1/C(=C5CCC(=O)O)CC(=O)O)CC(=O)O)CCC
    (=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(
    =O)O    		 3-[(1Z,9Z)-3,8,13,18-tetrakis(2-hydroxy-2-oxoethyl)-7,12,17-tris(3-hydroxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoic acid;
    uroporphyrin I
    38798
    UPJ    		 1 C15 H20 N2 O2 InChI=1S/C15H20N2O2/c1-12
    (18)17-10-8-13(9-11-17)15
    (19)16(2)14-6-4-3-5-7-14/
    h3-7,13H,8-11H2,1-2H3;
    UGFUNCZTAQSFHR-UHFFFAOYSA-N    		 N(c1ccccc1)(C)C(C2CCN(C(C)=O)CC2)=O; CN(
    C(=O)C1CCN(CC1)C(C)=O)c2ccccc2; CC(=O)N1
    CCC(CC1)C(=O)N(C)c2ccccc2    		 1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide
    38799
    UPK    		 3 C16 H12 N2 O2 InChI=1S/C16H12N2O2/c19-1
    1-13-6-7-14(10-15(13)20)1
    8-9-8-17-16(18)12-4-2-1-3
    -5-12/h1-11,20H;
    KMBWPCASOARYEQ-UHFFFAOYSA-N    		 c1ccc(cc1)c2nccn2c3ccc(c(c3)O)C=O; Oc1cc
    (ccc1C=O)n2ccnc2c3ccccc3    		 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol
    38800
    UPL    		 0 C34 H70 InChI=1S/C34H70/c1-4-7-10
    -13-16-18-19-21-24-27-30-
    33-34(31-28-25-22-15-12-9
    -6-3)32-29-26-23-20-17-14
    -11-8-5-2/h34H,4-33H2,1-3
    H3;
    QPCSNFPFMCVVAI-UHFFFAOYSA-N    		 CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCC
    C; C(CCCCCCCC(CCCCCCCCC)CCCCCCCCCCC)CCCC
    C; CCCCCCCCCCCCCC(CCCCCCCCC)CCCCCCCCCCC    		 UNKNOWN BRANCHED FRAGMENT OF PHOSPHOLIPID;
    UNKNOWN PHOSPHOLIPID FRAGMENT
    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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