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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    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)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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