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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    39201
    UBX
    CHEMBL2219860
    ZINC000095557219    		 1 C16 H26 N3 O5 P InChI=1S/C16H26N3O5P/c1-1
    2(2)9-14(15(20)17-3)19-25
    (22,23)11-18-16(21)24-10-
    13-7-5-4-6-8-13/h4-8,12,1
    4H,9-11H2,1-3H3,(H,17,20)
    (H,18,21)(H2,19,22,23)/t1
    4-/m0/s1;
    VZBGTFZRCJNJEQ-AWEZNQCLSA-N    		 CNC(=O)[C@H](CC(C)C)N[P](O)(=O)CNC(=O)OC
    c1ccccc1; CC(C)CC(C(=O)NC)NP(=O)(CNC(=O)
    OCc1ccccc1)O; CC(C)C[C@@H](C(=O)NC)NP(=O
    )(CNC(=O)OCc1ccccc1)O; O=C(NC)C(NP(=O)(O
    )CNC(=O)OCc1ccccc1)CC(C)C; CNC(=O)[CH](C
    C(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1    		 N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-methyl-L-leucinamide
    39202
    UBY
    CHEMBL2219859    		 1 C18 H28 N3 O7 P InChI=1S/C18H28N3O7P/c1-1
    2(2)9-15(16(22)20-13(3)17
    (23)24)21-29(26,27)11-19-
    18(25)28-10-14-7-5-4-6-8-
    14/h4-8,12-13,15H,9-11H2,
    1-3H3,(H,19,25)(H,20,22)(
    H,23,24)(H2,21,26,27)/t13
    -,15-/m0/s1;
    DVNAMUNBHDIPLR-ZFWWWQNUSA-N    		 C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)
    (CNC(=O)OCc1ccccc1)O; CC(C)C[C@H](N[P](O
    )(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(
    O)=O; CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1c
    cccc1)C(=O)N[CH](C)C(O)=O; O=C(O)C(NC(=O
    )C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)C;
    CC(C)CC(C(=O)NC(C)C(=O)O)NP(=O)(CNC(=O)O
    Cc1ccccc1)O    		 N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-alanine
    39203
    UBZ
    CHEMBL3558975
    ZINC000098209491    		 1 C19 H30 N3 O7 P InChI=1S/C19H30N3O7P/c1-4
    -15(18(24)25)21-17(23)16(
    10-13(2)3)22-30(27,28)12-
    20-19(26)29-11-14-8-6-5-7
    -9-14/h5-9,13,15-16H,4,10
    -12H2,1-3H3,(H,20,26)(H,2
    1,23)(H,24,25)(H2,22,27,2
    8)/t15-,16-/m0/s1;
    MAJTVQOCKLWFFD-HOTGVXAUSA-N    		 CC[CH](NC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(
    =O)OCc1ccccc1)C(O)=O; CC[C@H](NC(=O)[C@H
    ](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(
    O)=O; O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OC
    c1ccccc1)CC(C)C)CC; CC[C@@H](C(=O)O)NC(=
    O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)
    O; CCC(C(=O)O)NC(=O)C(CC(C)C)NP(=O)(CNC(
    =O)OCc1ccccc1)O    		 (2S)-2-({N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl}amino)butanoic acid
    39204
    UC0    		 1 C34 H38 Cl N O8 S InChI=1S/C34H38ClNO8S/c1-
    4-8-25(30-16-17-31(35)45-
    30)33(39)36-18-6-5-11-26(
    36)34(40)44-27(23-9-7-10-
    24(20-23)43-21-32(37)38)1
    4-12-22-13-15-28(41-2)29(
    19-22)42-3/h4,7,9-10,13,1
    5-17,19-20,25-27H,1,5-6,8
    ,11-12,14,18,21H2,2-3H3,(
    H,37,38)/t25-,26+,27-/m1/
    s1;
    NEIWCSGIZZQIHO-KWXIBIRDSA-N    		 COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O
    )OC(=O)[C@@H]3CCCCN3C(=O)[C@H](CC=C)c4cc
    c(s4)Cl; COc1ccc(CC[CH](OC(=O)[CH]2CCCCN
    2C(=O)[CH](CC=C)c3sc(Cl)cc3)c4cccc(OCC(O
    )=O)c4)cc1OC; COc1ccc(cc1OC)CCC(c2cccc(c
    2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C(CC=C)c4c
    cc(s4)Cl; COc1ccc(CC[C@@H](OC(=O)[C@@H]2
    CCCCN2C(=O)[C@H](CC=C)c3sc(Cl)cc3)c4cccc
    (OCC(O)=O)c4)cc1OC    		 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid
    39205
    UC1
    CHEMBL54893
    DB05871
    ZINC000006069063    		 4 C17 H18 Cl N O2 S InChI=1S/C17H18ClNO2S/c1-
    11(2)6-8-21-16-10-13(4-5-
    15(16)18)19-17(22)14-7-9-
    20-12(14)3/h4-7,9-10H,8H2
    ,1-3H3,(H,19,22);
    YZHIXLCGPOTQNB-UHFFFAOYSA-N    		 Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl;
    S=C(Nc1ccc(Cl)c(OC\C=C(/C)C)c1)c2c(occ2
    )C; CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl    		 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE;
    UC781
    39206
    UC2
    CHEMBL99965
    DB08680
    ZINC000006483660    		 1 C17 H19 Cl N2 O2 S InChI=1S/C17H19ClN2O2S/c1
    -11-14(7-8-21-11)16(23)20
    -13-5-6-15(18)12(9-13)10-
    19-22-17(2,3)4/h5-10H,1-4
    H3,(H,20,23)/b19-10+;
    PLGIIOKXCKDKEU-VXLYETTFSA-N    		 Cc1occc1C(=S)Nc2ccc(Cl)c(\C=N\OC(C)(C)C)
    c2; Cc1c(cco1)C(=S)Nc2ccc(c(c2)C=NOC(C)(
    C)C)Cl; S=C(Nc1cc(\C=N\OC(C)(C)C)c(Cl)cc
    1)c2c(occ2)C; Cc1occc1C(=S)Nc2ccc(Cl)c(C
    =NOC(C)(C)C)c2; Cc1c(cco1)C(=S)Nc2ccc(c(
    c2)\C=N\OC(C)(C)C)Cl    		 N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE;
    UC10
    39207
    UC3
    CHEMBL440510
    DB08681
    ZINC000003870524    		 1 C14 H18 Cl N O3 S InChI=1S/C14H18ClNO3S/c1-
    8(2)18-13(17)11-7-10(5-6-
    12(11)15)16-14(20)19-9(3)
    4/h5-9H,1-4H3,(H,16,20);
    AXTNFJKQZPETJA-UHFFFAOYSA-N    		 CC(C)OC(=S)Nc1ccc(Cl)c(c1)C(=O)OC(C)C; O
    =C(OC(C)C)c1cc(ccc1Cl)NC(=S)OC(C)C; CC(C
    )OC(=O)c1cc(ccc1Cl)NC(=S)OC(C)C    		 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE;
    UC38
    39208
    UC4
    CHEMBL190729
    DB08682
    ZINC000001492540    		 1 C16 H18 Cl N O4 S InChI=1S/C16H18ClNO4S/c1-
    9(2)22-16(20)12-8-11(4-5-
    13(12)17)18-15(19)14-10(3
    )21-6-7-23-14/h4-5,8-9H,6
    -7H2,1-3H3,(H,18,19);
    FMQGUMRNTBJHEA-UHFFFAOYSA-N    		 CC(C)OC(=O)c1cc(NC(=O)C2=C(C)OCCS2)ccc1C
    l; O=C(C=1SCCOC=1C)Nc2cc(C(=O)OC(C)C)c(C
    l)cc2; CC1=C(SCCO1)C(=O)Nc2ccc(c(c2)C(=O
    )OC(C)C)Cl    		 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE;
    UC84
    39209
    UC5
    CHEMBL1236535    		 1 C10 H16 N2 O10 P2 InChI=1S/C10H16N2O10P2/c1
    3-6-3-9(12-2-1-8(14)11-10
    (12)15)22-7(6)4-21-24(19,
    20)5-23(16,17)18/h1-2,6-7
    ,9,13H,3-5H2,(H,19,20)(H,
    11,14,15)(H2,16,17,18)/t6
    -,7+,9+/m0/s1;
    MYBNSHXDOWMNJH-LKEWCRSYSA-N    		 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO
    [P@](=O)(CP(=O)(O)O)O)O; O[CH]1C[CH](O[C
    H]1CO[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC
    2=O; C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(CP
    (=O)(O)O)O)O; O[C@H]1C[C@@H](O[C@@H]1CO[
    P@](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=O;
    O=P(O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=
    C1)CC2O    		 2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE
    39210
    UC6    		 1 C6 H10 O5 InChI=1S/C6H10O5/c7-1-4-6
    (10)5(9)3(8)2-11-4/h3-4,6
    -8,10H,1-2H2;
    TWOSIGGTFLLPLQ-UHFFFAOYSA-N    		 C1[C@H](C(=O)[C@H]([C@@H](O1)CO)O)O; OC1
    C(CO)OCC(O)C1=O; OC[C@@H]1OC[C@@H](O)C(=
    O)[C@H]1O; OC[CH]1OC[CH](O)C(=O)[CH]1O;
    C1C(C(=O)C(C(O1)CO)O)O    		 1,5-anhydro-D-ribo-hex-3-ulose
    39211
    UC7
    CHEMBL1472131
    ZINC000004344110    		 1 C20 H24 N2 O2 InChI=1S/C20H24N2O2/c1-3-
    5-12-21-17-11-10-16-18-14
    (17)8-7-9-15(18)19(23)22(
    20(16)24)13-6-4-2/h7-11,2
    1H,3-6,12-13H2,1-2H3;
    DXWHZJXKTHGHQF-UHFFFAOYSA-N    		 CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC; CC
    CCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23; O=
    C1c2ccc(NCCCC)c3cccc(C(=O)N1CCCC)c32    		 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione
    39212
    UC8    		 1 C35 H36 N6 O3 InChI=1S/C35H36N6O3/c1-3-
    32(42)38-27-13-14-30-31(2
    0-27)41(35(44)39-30)28-15
    -17-40(18-16-28)22-23-9-1
    1-25(12-10-23)33-29(24-7-
    5-4-6-8-24)19-26(21-37-33
    )34(43)36-2/h4-14,19-21,2
    8H,3,15-18,22H2,1-2H3,(H,
    36,43)(H,38,42)(H,39,44);
    DHCFQGXSUHCKEE-UHFFFAOYSA-N    		 CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)C
    c4ccc(cc4)c5c(cc(cn5)C(=O)NC)c6ccccc6; C
    CC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc
    4)c5ncc(cc5c6ccccc6)C(=O)NC)c2c1    		 ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
    39213
    UC9    		 1 C24 H22 N4 O4 InChI=1S/C24H22N4O4/c1-3-
    19-17(22(25)28-24(26)27-1
    9)9-4-13(2)16-10-18(21-20
    (11-16)31-12-32-21)14-5-7
    -15(8-6-14)23(29)30/h5-8,
    10-11,13H,3,12H2,1-2H3,(H
    ,29,30)(H4,25,26,27,28)/t
    13-/m1/s1;
    NQHZOWBSMCFILX-CYBMUJFWSA-N    		 CCc1nc(N)nc(N)c1C#C[CH](C)c2cc3OCOc3c(c2
    )c4ccc(cc4)C(O)=O; CCc1nc(N)nc(N)c1C#C[C
    @@H](C)c2cc3OCOc3c(c2)c4ccc(cc4)C(O)=O;
    CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(c3c(c2)OCO
    3)c4ccc(cc4)C(=O)O; c4(CC)c(C#CC(c2cc1OC
    Oc1c(c2)c3ccc(cc3)C(=O)O)C)c(nc(n4)N)N;
    CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c
    2)OCO3)c4ccc(cc4)C(=O)O    		 4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}benzoic acid
    39214
    UCA
    ZINC000219083543    		 1 C34 H52 N7 O19 P3 S InChI=1S/C34H52N7O19P3S/c
    1-33(2,28(47)31(48)37-11-
    9-23(44)36-12-13-64-24(45
    )7-4-18-19-5-6-22(43)34(1
    9,3)10-8-20(18)42)15-57-6
    3(54,55)60-62(52,53)56-14
    -21-27(59-61(49,50)51)26(
    46)32(58-21)41-17-40-25-2
    9(35)38-16-39-30(25)41/h1
    6-19,21,26-28,32,46-47H,4
    -15H2,1-3H3,(H,36,44)(H,3
    7,48)(H,52,53)(H,54,55)(H
    2,35,38,39)(H2,49,50,51)/
    t18-,19-,21+,26+,27+,28-,
    32+,34-/m0/s1;
    IWNWMTZIJPUDPV-MDQHZGBLSA-N    		 O=C1CCC2C1(C)CCC(=O)C2CCC(=O)SCCNC(=O)CC
    NC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC5
    OC(n4cnc3c(ncnc34)N)C(O)C5OP(=O)(O)O; CC
    (C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH](
    [CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc2
    3)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CC[CH]4[C
    H]5CCC(=O)[C]5(C)CCC4=O; CC(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)[C@@H]
    (O)C(=O)NCCC(=O)NCCSC(=O)CC[C@H]4[C@@H]5
    CCC(=O)[C@@]5(C)CCC4=O; CC12CCC(=O)C(C1C
    CC2=O)CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)C
    OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4n
    cnc5N)O)OP(=O)(O)O)O; C[C@]12CCC(=O)[C@H
    ]([C@@H]1CCC2=O)CCC(=O)SCCNC(=O)CCNC(=O)
    [C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H
    ]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O
    )OP(=O)(O)O)O    		 S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3aS,4S,7aS)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate;
    HIP-CoA
    39215
    UCB    		 0 C29 H37 Cl2 N2 O2 InChI=1S/C29H36Cl2N2O2/c1
    -2-33(19-20-7-5-3-4-6-8-2
    0)15-13-23(14-16-33)32-29
    (34)28-24-17-21(30)9-11-2
    6(24)35-27-12-10-22(31)18
    -25(27)28/h9-12,17-18,20,
    23,28H,2-8,13-16,19H2,1H3
    /p+1/t23-,33-;
    ZTXGBIXSMSZDOC-ZOKJZWPRSA-O    		 CC[N+]1(CC[CH](CC1)NC(=O)[CH]2c3cc(Cl)cc
    c3Oc4ccc(Cl)cc24)CC5CCCCCC5; CC[N+]1(CCC
    (CC1)NC(=O)C2c3cc(ccc3Oc4c2cc(cc4)Cl)Cl)
    CC5CCCCCC5; CC[N@@+]1(CC[C@@H](CC1)NC(=O
    )[C@H]2c3cc(Cl)ccc3Oc4ccc(Cl)cc24)CC5CCC
    CCC5; Clc5cc2c(Oc1ccc(Cl)cc1C2C(=O)NC4CC
    [N+](CC)(CC3CCCCCC3)CC4)cc5    		 1-(CYCLOHEPTYLMETHYL)-4-{[(2,7-DICHLORO-9H-XANTHEN-9-YL)CARBONYL]AMINO}-1-ETHYLPIPERIDINIUM;
    UCB35625
    39216
    UCC
    ZINC000096095622    		 2 C32 H56 N7 O17 P3 S InChI=1S/C32H56N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-23
    (41)60-16-15-34-22(40)13-
    14-35-30(44)27(43)32(2,3)
    18-53-59(50,51)56-58(48,4
    9)52-17-21-26(55-57(45,46
    )47)25(42)31(54-21)39-20-
    38-24-28(33)36-19-37-29(2
    4)39/h19-21,25-27,31,42-4
    3H,4-18H2,1-3H3,(H,34,40)
    (H,35,44)(H,48,49)(H,50,5
    1)(H2,33,36,37)(H2,45,46,
    47)/t21-,25-,26-,27+,31-/
    m1/s1;
    IZWCGXGZGYKDHR-GRBGHKMPSA-N    		 CCCCCCCCCCC(=O)SCCNC(=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; CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C
    (C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCCCCCCCC
    (=O)SCCNC(=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; CCCC
    CCCCCCC(=O)SCCNC(=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)n
    cnc23; O=C(CCCCCCCCCC)SCCNC(=O)CCNC(=O)C
    (C(C)(C)COP(=O)(O)OP(O)(OCC1OC(C(C1OP(O)
    (O)=O)O)n2cnc3c2ncnc3N)=O)O    		 S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate;
    undecanoyl coenzyme A
    39217
    UCD    		 0 C14 H21 N O11 InChI=1S/C14H21NO11/c1-4(
    17)15-8-11(10(20)7(3-16)2
    4-13(8)23)26-14-9(19)5(18
    )2-6(25-14)12(21)22/h2,5,
    7-11,13-14,16,18-20,23H,3
    H2,1H3,(H,15,17)(H,21,22)
    /t5-,7+,8+,9+,10-,11+,13+
    ,14-/m0/s1;
    DLGJWSVWTWEWBJ-MUODBDBBSA-N    		 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[
    C@@H]1O[C@@H]2OC(=C[C@H](O)[C@H]2O)C(O)=
    O; CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[C
    H]1O[CH]2OC(=C[CH](O)[CH]2O)C(O)=O; CC(=
    O)NC1C(C(C(OC1O)CO)O)OC2C(C(C=C(O2)C(=O)
    O)O)O; O=C(O)C=2OC(OC1C(O)C(OC(O)C1NC(=O
    )C)CO)C(O)C(O)C=2; CC(=O)N[C@@H]1[C@H]([
    C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([
    C@H](C=C(O2)C(=O)O)O)O    		 (4S,5R,6R)-6-((2R,3R,4R,5R,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-DIHYDROXY-5 ,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID;
    4-DEOXY-L-THREO-HEX-4-ENOPYRANOSYLURONIC ACID-(1,3)-N-ACETYL-D-GALACTOSAMINE;
    UNSATURATED CHONDROITIN DISACCHARIDE
    39218
    UCE    		 1 C34 H35 N5 O3 InChI=1S/C34H35N5O3/c1-2-
    32(41)36-27-12-13-30-31(1
    9-27)39(34(42)37-30)28-14
    -16-38(17-15-28)21-23-8-1
    0-26(11-9-23)33-29(18-24(
    22-40)20-35-33)25-6-4-3-5
    -7-25/h3-13,18-20,28,40H,
    2,14-17,21-22H2,1H3,(H,36
    ,41)(H,37,42);
    XYDKMXKWNYYJAT-UHFFFAOYSA-N    		 CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(c
    c4)c5ncc(CO)cc5c6ccccc6)c2c1; CCC(=O)Nc1
    ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)
    c5c(cc(cn5)CO)c6ccccc6    		 ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
    39219
    UCF    		 1 C33 H38 Cl N O8 S InChI=1S/C33H38ClNO8S/c1-
    4-24(29-15-16-30(34)44-29
    )32(38)35-17-6-5-10-25(35
    )33(39)43-26(22-8-7-9-23(
    19-22)42-20-31(36)37)13-1
    1-21-12-14-27(40-2)28(18-
    21)41-3/h7-9,12,14-16,18-
    19,24-26H,4-6,10-11,13,17
    ,20H2,1-3H3,(H,36,37)/t24
    -,25+,26-/m1/s1;
    SRIRUOTUARWLRH-UODIDJSMSA-N    		 CC[CH](C(=O)N1CCCC[CH]1C(=O)O[CH](CCc2cc
    c(OC)c(OC)c2)c3cccc(OCC(O)=O)c3)c4sc(Cl)
    cc4; CC[C@H](c1ccc(s1)Cl)C(=O)N2CCCC[C@H
    ]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(
    c4)OCC(=O)O; CC[C@@H](C(=O)N1CCCC[C@H]1C
    (=O)O[C@H](CCc2ccc(OC)c(OC)c2)c3cccc(OCC
    (O)=O)c3)c4sc(Cl)cc4; CCC(c1ccc(s1)Cl)C(
    =O)N2CCCCC2C(=O)OC(CCc3ccc(c(c3)OC)OC)c4
    cccc(c4)OCC(=O)O    		 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid
    39220
    UCG
    ZINC000222071831    		 8 C19 H24 N7 O18 P3 InChI=1S/C19H24N7O18P3/c2
    0-18-23-14-9(15(29)24-18)
    21-5-26(14)17-13-12(43-47
    (36,37)44-13)7(41-17)4-39
    -46(34,35)42-11-6(3-38-45
    (31,32)33)40-16(10(11)28)
    25-2-1-8(27)22-19(25)30/h
    1-2,5-7,10-13,16-17,28H,3
    -4H2,(H,34,35)(H,36,37)(H
    ,22,27,30)(H2,31,32,33)(H
    3,20,23,24,29)/t6-,7-,10-
    ,11-,12-,13-,16-,17-/m1/s
    1;
    UIVVUPHFWRPLKC-VMIOUTBZSA-N    		 c1nc2c(n1C3C4C(C(O3)COP(=O)(O)OC5C(OC(C5
    O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)
    O)N=C(NC2=O)N; O=P(O)(O)OCC6OC(N1C=CC(=O
    )NC1=O)C(O)C6OP(=O)(O)OCC4OC(n2c3N=C(N)N
    C(=O)c3nc2)C5OP(=O)(O)OC45; c1nc2c(n1[C@
    H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@
    H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O
    )COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N; NC
    1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=
    O)O[CH]4[CH](O)[CH](O[CH]4CO[P](O)(O)=O)
    N5C=CC(=O)NC5=O)[CH]6O[P](O)(=O)O[CH]36;
    NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P
    ](O)(=O)O[C@H]4[C@@H](O)[C@@H](O[C@@H]4C
    O[P](O)(O)=O)N5C=CC(=O)NC5=O)[C@H]6O[P](
    O)(=O)O[C@@H]36    		 3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate)
    39221
    UCH
    ZINC000004482410    		 3 C11 H14 N2 O2 InChI=1S/C11H14N2O2/c14-1
    1(15)9-3-7-13(8-4-9)10-1-
    5-12-6-2-10/h1-2,5-6,9H,3
    -4,7-8H2,(H,14,15);
    UISWRUUBFFHGLE-UHFFFAOYSA-N    		 c1cnccc1N2CCC(CC2)C(=O)O; OC(=O)C1CCN(CC
    1)c2ccncc2    		 1-pyridin-4-ylpiperidine-4-carboxylic acid
    39222
    UCI    		 8 C21 H23 F3 N2 O4 S InChI=1S/C21H23F3N2O4S/c1
    -2-31(28,29)26-13-16(15-6
    -4-3-5-7-15)12-17(14-26)2
    0(27)25-18-8-10-19(11-9-1
    8)30-21(22,23)24/h3-11,16
    -17H,2,12-14H2,1H3,(H,25,
    27)/t16-,17-/m1/s1;
    BGPUEQUEKKTRNM-IAGOWNOFSA-N    		 CC[S](=O)(=O)N1C[CH](C[CH](C1)c2ccccc2)C
    (=O)Nc3ccc(OC(F)(F)F)cc3; CC[S](=O)(=O)N
    1C[C@@H](C[C@H](C1)c2ccccc2)C(=O)Nc3ccc(
    OC(F)(F)F)cc3; CCS(=O)(=O)N1C[C@@H](C[C@
    H](C1)C(=O)Nc2ccc(cc2)OC(F)(F)F)c3ccccc3
    ; CCS(=O)(=O)N1CC(CC(C1)C(=O)Nc2ccc(cc2)
    OC(F)(F)F)c3ccccc3; O=S(=O)(CC)N1CC(CC(C
    1)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1    		 (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form)
    39223
    UCJ
    ZINC000001565221    		 5 C4 H11 O3 P InChI=1S/C4H11O3P/c1-4(2)
    7-8(3,5)6/h4H,1-3H3,(H,5,
    6);
    GHZKGHQGPXBWSN-UHFFFAOYSA-N    		 O=P(OC(C)C)(O)C; CC(C)O[P](C)(O)=O; CC(C
    )OP(=O)(C)O    		 propan-2-yl hydrogen (S)-methylphosphonate
    39224
    UCK
    ZINC000095920807    		 4 C19 H18 Cl2 N2 O3 InChI=1S/C19H18Cl2N2O3/c2
    0-13-7-5-12(6-8-13)10-22-
    18(25)17-9-14(24)11-23(17
    )19(26)15-3-1-2-4-16(15)2
    1/h1-8,14,17,24H,9-11H2,(
    H,22,25)/t14-,17+/m1/s1;
    POSPLUDREYFAQC-PBHICJAKSA-N    		 O[CH]1C[CH](N(C1)C(=O)c2ccccc2Cl)C(=O)NC
    c3ccc(Cl)cc3; c1ccc(c(c1)C(=O)N2CC(CC2C(
    =O)NCc3ccc(cc3)Cl)O)Cl; c1ccc(c(c1)C(=O)
    N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)Cl)O)C
    l; O=C(c1ccccc1Cl)N3C(C(=O)NCc2ccc(Cl)cc
    2)CC(O)C3; O[C@@H]1C[C@H](N(C1)C(=O)c2cc
    ccc2Cl)C(=O)NCc3ccc(Cl)cc3    		 (2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
    39225
    UCL
    CHEMBL1236538    		 0 C9 H12 Cl N2 O8 P InChI=1S/C9H12ClN2O8P/c10
    -4-2-12(9(15)11-8(4)14)7-
    1-5(13)6(20-7)3-19-21(16,
    17)18/h2,5-7,13H,1,3H2,(H
    ,11,14,15)(H2,16,17,18)/t
    5-,6+,7+/m0/s1;
    RBQXEHDSKLSKLJ-RRKCRQDMSA-N    		 C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C
    l)COP(=O)(O)O)O; O[C@H]1C[C@@H](O[C@@H]1
    CO[P](O)(O)=O)N2C=C(Cl)C(=O)NC2=O; C1C(C
    (OC1N2C=C(C(=O)NC2=O)Cl)COP(=O)(O)O)O; C
    lC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)
    (O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2
    C=C(Cl)C(=O)NC2=O    		 5-CHLORO-2'-DEOXYURIDINE 5'-(DIHYDROGEN PHOSPHATE)
    39226
    UCM
    CHEMBL289422
    DB08683
    ZINC000018183490    		 1 C24 H15 N3 O3 InChI=1S/C24H15N3O3/c28-2
    3-19-17-11-5-1-3-7-13(11)
    26-15-9-10-16(30-15)27-14
    -8-4-2-6-12(14)18(22(27)2
    1(17)26)20(19)24(29)25-23
    /h1-8,15-16H,9-10H2,(H,25
    ,28,29)/t15-,16+;
    OTPNDVKVEAIXTI-IYBDPMFKSA-N    		 O=C1NC(=O)c2c1c3c4ccccc4n5[C@H]6CC[C@H](
    O6)n7c8ccccc8c2c7c35; O=C1NC(=O)c2c1c3c4
    ccccc4n5[CH]6CC[CH](O6)n7c8ccccc8c2c7c35
    ; O=C5c4c2c3n(c1ccccc12)C8OC(n6c3c(c4C(=
    O)N5)c7ccccc67)CC8; c1ccc2c(c1)c3c4c(c5c
    6ccccc6n7c5c3n2[C@H]8CC[C@@H]7O8)C(=O)NC
    4=O; c1ccc2c(c1)c3c4c(c5c6ccccc6n7c5c3n2
    C8CCC7O8)C(=O)NC4=O    		 REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE;
    SB218078
    39227
    UCN
    CHEMBL1236539
    DB01933
    ZINC000003814435    		 5 C28 H26 N4 O4 InChI=1S/C28H26N4O4/c1-28
    -25(35-3)15(29-2)12-18(36
    -28)31-16-10-6-4-8-13(16)
    19-21-22(27(34)30-26(21)3
    3)20-14-9-5-7-11-17(14)32
    (28)24(20)23(19)31/h4-11,
    15,18,25,27,29,34H,12H2,1
    -3H3,(H,30,33)/t15-,18-,2
    5-,27-,28+/m1/s1;
    PBCZSGKMGDDXIJ-HQCWYSJUSA-N    		 CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c
    5c6[CH](O)NC(=O)c6c7c8ccccc8n2c7c35; O=C
    5NC(O)c4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)
    c7ccccc67)CC(NC)C8OC)C; C[C@@]12[C@@H]([
    C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccc
    cc7c6c8c5C(=O)N[C@@H]8O)NC)OC; CN[C@@H]1
    C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c
    6[C@@H](O)NC(=O)c6c7c8ccccc8n2c7c35; CC1
    2C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c
    8c5C(=O)NC8O)NC)OC    		 7-HYDROXYSTAUROSPORINE
    39228
    UCO    		 1 C40 H44 Cl N O11 S InChI=1S/C40H44ClNO11S/c1
    -47-30-15-13-24(19-31(30)
    48-2)12-14-29(25-9-8-10-2
    7(20-25)52-23-36(43)44)53
    -40(46)28-11-6-7-18-42(28
    )39(45)37(34-16-17-35(41)
    54-34)26-21-32(49-3)38(51
    -5)33(22-26)50-4/h8-10,13
    ,15-17,19-22,28-29,37H,6-
    7,11-12,14,18,23H2,1-5H3,
    (H,43,44)/t28-,29+,37+/m0
    /s1;
    DJMQVDNYVWNBAD-DBWZWNDFSA-N    		 COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)O)OC(
    =O)C3CCCCN3C(=O)C(c4ccc(s4)Cl)c5cc(c(c(c
    5)OC)OC)OC; COc1ccc(cc1OC)CC[C@H](c2cccc
    (c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@
    @H](c4ccc(s4)Cl)c5cc(c(c(c5)OC)OC)OC; CO
    c1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](
    c3sc(Cl)cc3)c4cc(OC)c(OC)c(OC)c4)c5cccc(
    OCC(O)=O)c5)cc1OC; COc1ccc(CC[C@@H](OC(=
    O)[C@@H]2CCCCN2C(=O)[C@@H](c3sc(Cl)cc3)c
    4cc(OC)c(OC)c(OC)c4)c5cccc(OCC(O)=O)c5)c
    c1OC    		 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid
    39229
    UCP
    ZINC000058639056    		 0 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)4-23-28(21,
    22)25-27(19,20)5-26(16,17
    )18/h1-2,6-7,9,13H,3-5H2,
    (H,19,20)(H,21,22)(H,11,1
    4,15)(H2,16,17,18)/t6-,7+
    ,9+/m0/s1;
    LXPTZNQPTTZWKK-LKEWCRSYSA-N    		 C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O
    )(CP(=O)(O)O)O)O; C1[C@@H]([C@H](O[C@H]1
    N2C=CC(=O)NC2=O)CO[P@](=O)(O)O[P@@](=O)(
    CP(=O)(O)O)O)O; O[CH]1C[CH](O[CH]1CO[P](
    O)(=O)O[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O)
    NC2=O; O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)
    (=O)O[P@@](O)(=O)C[P](O)(O)=O)N2C=CC(=O)
    NC2=O; O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC2OC
    (N1C(=O)NC(=O)C=C1)CC2O    		 PHOSPHOMETHYL PHOSPHONIC ACID DEOXYURIDYLATE ESTER
    39230
    UCQ    		 4 C9 H15 N3 O2 InChI=1S/C9H15N3O2/c1-11(
    2)8(9(13)14)4-7-5-10-6-12
    (7)3/h5-6,8H,4H2,1-3H3,(H
    ,13,14)/t8-/m0/s1;
    CWMBQCIYEIIZOY-QMMMGPOBSA-N    		 Cn1cncc1CC(C(=O)O)N(C)C; CN(C)[C@@H](Cc1
    cncn1C)C(O)=O; Cn1cncc1C[C@@H](C(=O)O)N(
    C)C; CN(C)[CH](Cc1cncn1C)C(O)=O    		 (2~{S})-2-(dimethylamino)-3-(3-methylimidazol-4-yl)propanoic acid
    39231
    UCR    		 0 C74 H90 F N13 O16 InChI=1S/C74H90FN13O16/c1
    -43(2)65-48(26-27-60(92)7
    6-29-12-17-44(3)35-52(90)
    38-49(75)39-61-78-54(42-1
    02-61)70(97)87-33-16-24-5
    6(87)73(100)104-65)37-50-
    41-85(83-82-50)31-14-22-5
    3-69(96)86-32-15-23-55(86
    )71(98)84(5)58(36-46-18-8
    -6-9-19-46)72(99)88-34-28
    -51(89)40-57(88)66(93)81-
    63(47-20-10-7-11-21-47)74
    (101)103-45(4)62(67(94)79
    -53)80-68(95)64-59(91)25-
    13-30-77-64/h6-13,17-21,2
    5-27,30,35,41-43,45,48-49
    ,51-53,55-58,62-63,65,89-
    91H,14-16,22-24,28-29,31-
    34,36-40H2,1-5H3,(H,76,92
    )(H,79,94)(H,80,95)(H,81,
    93)/b17-12+,27-26+,44-35+
    /t45-,48+,49-,51-,52-,53-
    ,55+,56-,57+,58+,62+,63+,
    65-/m1/s1;
    VRKSHVRYRFYAGE-KRRCSSGUSA-N    		 O=C1NCC=CC(C)=CC(O)CC(F)Cc2nc(co2)C(=O)N
    2CCCC2C(=O)OC(C(C)C)C(C=C1)Cc1cn(nn1)CCC
    C1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC
    (=O)C2CC(O)CCN2C(=O)C(Cc2ccccc2)N(C)C(=O
    )C2CCCN2C1=O)c1ccccc1; CC1C(C(=O)NC(C(=O
    )N2CCCC2C(=O)N(C(C(=O)N3CCC(CC3C(=O)NC(C
    (=O)O1)c4ccccc4)O)Cc5ccccc5)C)CCCn6cc(nn
    6)CC7C=CC(=O)NCC=CC(=CC(CC(Cc8nc(co8)C(=
    O)N9CCCC9C(=O)OC7C(C)C)F)O)C)NC(=O)c1c(c
    ccn1)O; C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O
    )N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CC[C@H](
    C[C@H]3C(=O)N[C@H](C(=O)O1)c4ccccc4)O)Cc
    5ccccc5)C)CCCn6cc(nn6)C[C@@H]7/C=C/C(=O)
    NC/C=C/C(=C/[C@H](C[C@H](Cc8nc(co8)C(=O)
    N9CCC[C@@H]9C(=O)O[C@@H]7C(C)C)F)O)/C)NC
    (=O)c1c(cccn1)O; CC(C)[C@H]1OC(=O)[C@H]2
    CCCN2C(=O)c3coc(C[C@H](F)C[C@H](O)/C=C(C
    )/C=C/CNC(=O)/C=C/[C@H]1Cc4cn(CCC[C@H]5N
    C(=O)[C@@H](NC(=O)c6ncccc6O)[C@@H](C)OC(
    =O)[C@@H](NC(=O)[C@@H]7C[C@H](O)CCN7C(=O
    )[C@H](Cc8ccccc8)N(C)C(=O)[C@@H]9CCCN9C5
    =O)c%10ccccc%10)nn4)n3; CC(C)[CH]1OC(=O)
    [CH]2CCCN2C(=O)c3coc(C[CH](F)C[CH](O)C=C
    (C)C=CCNC(=O)C=C[CH]1Cc4cn(CCC[CH]5NC(=O
    )[CH](NC(=O)c6ncccc6O)[CH](C)OC(=O)[CH](
    NC(=O)[CH]7C[CH](O)CCN7C(=O)[CH](Cc8cccc
    c8)N(C)C(=O)[CH]9CCCN9C5=O)c%10ccccc%10)
    nn4)n3    		 N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[3-(4-{[(3R,4R,5E,10E,12E,14S,16R,23R,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)propyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide
    39232
    UCS    		 0 C22 H33 N3 O7 S InChI=1S/C22H33N3O7S/c1-1
    4(2)11-17(25-22(29)32-13-
    15-7-5-4-6-8-15)20(27)24-
    18(21(28)33(3,30)31)12-16
    -9-10-23-19(16)26/h4-8,14
    ,16-18,21,28H,3,9-13H2,1-
    2H3,(H,23,26)(H,24,27)(H,
    25,29)(H,30,31)/t16-,17-,
    18-,21+/m0/s1;
    WSISUQMDONQTEG-RYLXDESZSA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=C)(=O)
    O)NC(=O)OCc2ccccc2; c1ccccc1COC(NC(C(=O)
    NC(C(O)S(=O)(O)=C)CC2CCNC2=O)CC(C)C)=O;
    CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)[C@H](O)S(=C)(=O)O)NC(=O)OCc2ccccc2; C
    C(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]
    (C[C@@H]2CCNC2=O)[C@H](O)[S](O)(=C)=O; C
    C(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C[
    CH]2CCNC2=O)[CH](O)[S](O)(=C)=O    		 N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(trimethyl-lambda~4~-sulfanyl)propan-2-yl]-L-leucinamide
    39233
    UCT    		 1 C32 H36 Cl N O8 S InChI=1S/C32H36ClNO8S/c1-
    20(28-14-15-29(33)43-28)3
    1(37)34-16-5-4-9-24(34)32
    (38)42-25(22-7-6-8-23(18-
    22)41-19-30(35)36)12-10-2
    1-11-13-26(39-2)27(17-21)
    40-3/h6-8,11,13-15,17-18,
    20,24-25H,4-5,9-10,12,16,
    19H2,1-3H3,(H,35,36)/t20-
    ,24+,25-/m1/s1;
    OIYSSIJKGXDGIE-DCEDVJGZSA-N    		 C[C@H](c1ccc(s1)Cl)C(=O)N2CCCC[C@H]2C(=O
    )O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC
    (=O)O; CC(c1ccc(s1)Cl)C(=O)N2CCCCC2C(=O)
    OC(CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O
    ; COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[
    CH](C)c3sc(Cl)cc3)c4cccc(OCC(O)=O)c4)cc1
    OC; COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2
    C(=O)[C@H](C)c3sc(Cl)cc3)c4cccc(OCC(O)=O
    )c4)cc1OC    		 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid
    39234
    UCU
    ZINC000001693559    		 2 C4 H8 O3 InChI=1S/C4H8O3/c1-2-3(5)
    4(6)7/h3,5H,2H2,1H3,(H,6,
    7)/t3-/m1/s1;
    AFENDNXGAFYKQO-GSVOUGTGSA-N    		 CC[C@H](C(=O)O)O; CC[CH](O)C(O)=O; CC[C@
    @H](O)C(O)=O; CCC(C(=O)O)O    		 (2R)-2-oxidanylbutanoic acid;
    (R)-2-Hydroxybutanoic acid
    39235
    UCV    		 0 C6 H15 N3 O InChI=1S/C6H15N3O/c1-4(2)
    5(7)3-9-6(8)10/h4-5H,3,7H
    2,1-2H3,(H3,8,9,10)/t5-/m
    1/s1;
    GGSMGRSJKQIKLL-RXMQYKEDSA-N    		 CC(C)C(CNC(=O)N)N; CC(C)[C@H](N)CNC(N)=O
    ; CC(C)[C@@H](CNC(=O)N)N; CC(C)[CH](N)CN
    C(N)=O    		 1-[(2~{S})-2-azanyl-3-methyl-butyl]urea
    39236
    UCW
    CHEMBL3824089
    ZINC000653884606    		 1 C26 H38 N8 O3 InChI=1S/C26H38N8O3/c1-26
    (2,3)37-25(35)30-19-8-7-1
    7(15-20(19)36-6)22-21-23(
    27)28-16-29-24(21)34(31-2
    2)14-13-33-11-9-18(10-12-
    33)32(4)5/h7-8,15-16,18H,
    9-14H2,1-6H3,(H,30,35)(H2
    ,27,28,29);
    GMPQGWXPDRNCBL-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(
    n2)CCN4CCC(CC4)N(C)C)N; COc1cc(ccc1NC(=O
    )OC(C)(C)C)c2nn(CCN3CCC(CC3)N(C)C)c4ncnc
    (N)c24    		 tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate;
    ~{tert}-butyl ~{N}-[4-[4-azanyl-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]carbamate
    39237
    UCX    		 0 C30 H38 F N3 O6 InChI=1S/C30H38FN3O6/c1-5
    -8-21-11-12-26(36)32-13-6
    -9-20(4)15-23(35)16-22(31
    )17-27-33-24(18-39-27)29(
    37)34-14-7-10-25(34)30(38
    )40-28(21)19(2)3/h1,6,9,1
    1-12,15,18-19,21-23,25,28
    ,35H,7-8,10,13-14,16-17H2
    ,2-4H3,(H,32,36)/b9-6+,12
    -11+,20-15+/t21-,22-,23-,
    25-,28-/m1/s1;
    ZFRIDGLVADEYAZ-CLECSTCYSA-N    		 CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[C
    H](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1CC#
    C)n3; CC(C)[C@H]1OC(=O)[C@H]2CCCN2C(=O)c
    3coc(C[C@H](F)C[C@H](O)/C=C(C)/C=C/CNC(=
    O)/C=C/[C@H]1CC#C)n3; CC1=CC(CC(Cc2nc(co
    2)C(=O)N3CCCC3C(=O)OC(C(C=CC(=O)NCC=C1)C
    C#C)C(C)C)F)O; C/C/1=C\[C@H](C[C@H](Cc2n
    c(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@
    H](/C=C/C(=O)NC\C=C1)CC#C)C(C)C)F)O; CC(
    C)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O
    )C=C(C)C=CCNC(=O)C=CC1CC#C    		 (3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-yn-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione
    39238
    UCY    		 4 C8 H17 O2 P InChI=1S/C8H17O2P/c1-8(2)
    6-4-5-7(8)10-11(3)9/h7,11
    H,4-6H2,1-3H3/t7-/m0/s1;
    GJIHMVVDUGLKHR-ZETCQYMHSA-N    		 CC1(CCCC1OP(=O)C)C; CC1(CCC[C@@H]1O[P@H]
    (=O)C)C; C[PH](=O)O[CH]1CCCC1(C)C; C[P@H
    ](=O)O[C@H]1CCCC1(C)C; CP(=O)OC1C(C)(CCC
    1)C    		 (1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate;
    2,2-dimethylcyclopentyl methylphosphinate
    39239
    UCZ
    CHEMBL261837
    ZINC000005353901    		 1 C15 H18 Cl N3 O InChI=1S/C15H18ClN3O/c1-1
    5(2,3)14(20)13(19-10-17-9
    -18-19)8-11-4-6-12(16)7-5
    -11/h4-10,14,20H,1-3H3/b1
    3-8+/t14-/m1/s1;
    YNWVFADWVLCOPU-MAUPQMMJSA-N    		 CC(C)(C)[C@H](O)\C(=C/c1ccc(Cl)cc1)n2cnc
    n2; CC(C)(C)C(C(=Cc1ccc(cc1)Cl)n2cncn2)O
    ; CC(C)(C)[C@@H](/C(=C\c1ccc(cc1)Cl)/n2c
    ncn2)O; CC(C)(C)[CH](O)C(=Cc1ccc(Cl)cc1)
    n2cncn2; CC(C)(C)C(C(n1cncn1)=[C@H]c2ccc
    (cc2)Cl)O    		 (1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
    39240
    UD0
    ZINC000263620550    		 4 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+/m0/s1;
    IGKBPIFLZAFLLV-VUZHIUKYSA-N    		 CC(=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; 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)N4C=CC(=
    O)NC4=O)O)O)NC(=O)C)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)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)C4
    NC(=O)C)O)O; CC(=O)N[CH]1[CH](O[CH]([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    		 (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,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
    39241
    UD1
    CHEMBL388154
    DB03397
    ZINC000008551100    		 236 C17 H27 N3 O17 P2 InChI=1S/C17H27N3O17P2/c1
    -6(22)18-10-13(26)11(24)7
    (4-21)35-16(10)36-39(31,3
    2)37-38(29,30)33-5-8-12(2
    5)14(27)15(34-8)20-3-2-9(
    23)19-17(20)28/h2-3,7-8,1
    0-16,21,24-27H,4-5H2,1H3,
    (H,18,22)(H,29,30)(H,31,3
    2)(H,19,23,28)/t7-,8-,10-
    ,11-,12-,13-,14-,15-,16-/
    m1/s1;
    LFTYTUAZOPRMMI-CFRASDGPSA-N    		 CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2
    C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; CC(
    =O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P
    ](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[
    CH]2O)N3C=CC(=O)NC3=O; O=P(OC1OC(C(O)C(O
    )C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(
    =O)NC2=O)C(O)C3O; CC(=O)N[C@@H]1[C@@H](O
    )[C@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O
    [P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]
    2O)N3C=CC(=O)NC3=O; CC(=O)N[C@@H]1[C@H](
    [C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@]
    (=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3
    C=CC(=O)NC3=O)O)O)CO)O)O    		 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
    39242
    UD2
    DB02196
    ZINC000008551132    		 57 C17 H27 N3 O17 P2 InChI=1S/C17H27N3O17P2/c1
    -6(22)18-10-13(26)11(24)7
    (4-21)35-16(10)36-39(31,3
    2)37-38(29,30)33-5-8-12(2
    5)14(27)15(34-8)20-3-2-9(
    23)19-17(20)28/h2-3,7-8,1
    0-16,21,24-27H,4-5H2,1H3,
    (H,18,22)(H,29,30)(H,31,3
    2)(H,19,23,28)/t7-,8-,10-
    ,11+,12-,13-,14-,15-,16-/
    m1/s1;
    LFTYTUAZOPRMMI-NESSUJCYSA-N    		 CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2
    C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; CC(
    =O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P
    ](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[
    CH]2O)N3C=CC(=O)NC3=O; O=P(OC1OC(C(O)C(O
    )C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(
    =O)NC2=O)C(O)C3O; CC(=O)N[C@@H]1[C@@H](O
    )[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)
    O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H
    ]2O)N3C=CC(=O)NC3=O; CC(=O)N[C@@H]1[C@H]
    ([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@]
    (=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3
    C=CC(=O)NC3=O)O)O)CO)O)O    		 URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE;
    (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
    39243
    UD4
    ZINC000056871102    		 2 C17 H28 N4 O15 P2 InChI=1S/C17H28N4O15P2/c1
    -6-10(18)13(25)11(19-7(2)
    22)16(33-6)35-38(30,31)36
    -37(28,29)32-5-8-12(24)14
    (26)15(34-8)21-4-3-9(23)2
    0-17(21)27/h3-4,6,8,10-16
    ,24-26H,5,18H2,1-2H3,(H,1
    9,22)(H,28,29)(H,30,31)(H
    ,20,23,27)/t6-,8-,10-,11-
    ,12-,13+,14-,15-,16-/m1/s
    1;
    FUUMLYWEEZBCQR-UINYWEPJSA-N    		 C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@
    @](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H
    ]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)
    O)N; CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC
    2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)
    N; C[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](NC(C)=O)[CH](O)[CH]1N; C[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]
    (NC(C)=O)[C@@H](O)[C@@H]1N; O=P(OC1OC(C(
    N)C(O)C1NC(=O)C)C)(O)OP(=O)(O)OCC3OC(N2C
    =CC(=O)NC2=O)C(O)C3O    		 UDP-2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-glucopyranose;
    (2R,3R,4S,5S,6R)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl
    39244
    UD5
    ZINC000058649711    		 0 C9 H12 F N2 O8 P InChI=1S/C9H12FN2O8P/c10-
    3-1-12(9(16)11-7(3)15)8-6
    (14)5(13)4(20-8)2-19-21(1
    7)18/h1,4-6,8,13-14,17-18
    H,2H2,(H,11,15,16)/t4-,5-
    ,6-,8-/m1/s1;
    OWIMOOFVTCJDCZ-UAKXSSHOSA-N    		 C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C
    @H](O2)COP(O)O)O)O)F; O[CH]1[CH](O)[CH](
    O[CH]1COP(O)O)N2C=C(F)C(=O)NC2=O; C1=C(C
    (=O)NC(=O)N1C2C(C(C(O2)COP(O)O)O)O)F; O[
    C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)O)N2C
    =C(F)C(=O)NC2=O; FC=1C(=O)NC(=O)N(C=1)C2
    OC(C(O)C2O)COP(O)O    		 5-FLUOROURIDINE
    39245
    UD6
    ZINC000066166300    		 4 C18 H28 N2 O17 P2 InChI=1S/C18H28N2O17P2/c1
    -7(22)4-8-12(24)13(25)9(5
    -21)35-17(8)36-39(31,32)3
    7-38(29,30)33-6-10-14(26)
    15(27)16(34-10)20-3-2-11(
    23)19-18(20)28/h2-3,8-10,
    12-17,21,24-27H,4-6H2,1H3
    ,(H,29,30)(H,31,32)(H,19,
    23,28)/t8-,9-,10-,12-,13+
    ,14-,15-,16-,17-/m1/s1;
    ODPRJDNNGDXFOQ-YIUJVFLPSA-N    		 O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP
    (=O)(OC3OC(C(O)C(O)C3CC(=O)C)CO)O)O; CC(
    =O)C[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P
    ](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[
    CH]2O)N3C=CC(=O)NC3=O; CC(=O)C[C@@H]1[C@
    @H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P](O)
    (=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C
    @@H]2O)N3C=CC(=O)NC3=O; CC(=O)C[C@@H]1[C
    @H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(
    O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(
    =O)NC3=O)O)O)CO)O)O; CC(=O)CC1C(C(C(OC1O
    P(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)
    NC3=O)O)O)CO)O)O    		 [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate;
    UDP-2-ketoGlc
    39246
    UD7
    ZINC000056871098    		 2 C17 H25 N3 O16 P2 InChI=1S/C17H25N3O16P2/c1
    -6-11(23)13(25)10(18-7(2)
    21)16(33-6)35-38(30,31)36
    -37(28,29)32-5-8-12(24)14
    (26)15(34-8)20-4-3-9(22)1
    9-17(20)27/h3-4,6,8,10,12
    -16,24-26H,5H2,1-2H3,(H,1
    8,21)(H,28,29)(H,30,31)(H
    ,19,22,27)/t6-,8-,10-,12-
    ,13-,14-,15-,16-/m1/s1;
    XBILTLYIKDPORV-HZUXRPHDSA-N    		 C[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
    ](NC(C)=O)[CH](O)C1=O; C[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](NC(C)=O
    )[C@@H](O)C1=O; O=C1C=CN(C(=O)N1)C2OC(C(
    O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)C(O)C3NC
    (=O)C)C)O)O; C[C@@H]1C(=O)[C@@H]([C@H]([
    C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]
    ([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(
    =O)C)O; CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)
    (O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=
    O)C)O
    39247
    UD8    		 1 C24 H36 N6 O6 S InChI=1S/C24H36N6O6S/c1-2
    4(2)35-21-16-29(15-20(31)
    22(21)36-24)11-5-3-4-6-12
    -30-14-18(27-28-30)13-26-
    23(32)17-7-9-19(10-8-17)3
    7(25,33)34/h7-10,14,20-22
    ,31H,3-6,11-13,15-16H2,1-
    2H3,(H,26,32)(H2,25,33,34
    )/t20-,21+,22+/m1/s1;
    YZQOVKMHWZRLSA-FSSWDIPSSA-N    		 CC1(OC2CN(CC(C2O1)O)CCCCCCn3cc(nn3)CNC(=
    O)c4ccc(cc4)S(=O)(=O)N)C; CC1(O[C@H]2CN(
    C[C@H]([C@@H]2O1)O)CCCCCCn3cc(nn3)CNC(=O
    )c4ccc(cc4)S(=O)(=O)N)C; CC1(C)O[C@H]2CN
    (CCCCCCn3cc(CNC(=O)c4ccc(cc4)[S](N)(=O)=
    O)nn3)C[C@@H](O)[C@@H]2O1; CC1(C)O[CH]2C
    N(CCCCCCn3cc(CNC(=O)c4ccc(cc4)[S](N)(=O)
    =O)nn3)C[CH](O)[CH]2O1    		 N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide;
    ~{N}-[[1-[6-[(3~{a}~{S},7~{R},7~{a}~{S})-2,2-dimethyl-7-oxidanyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyridin-5-yl]hexyl]-1,2,3-triazol-4-yl]methyl]-4-sulfamoyl-benzamide
    39248
    UD9
    ZINC000008551319    		 3 C17 H27 N3 O17 P2 InChI=1S/C17H27N3O17P2/c1
    -6(22)18-10-13(26)11(24)7
    (4-21)35-16(10)36-39(31,3
    2)37-38(29,30)33-5-8-12(2
    5)14(27)15(34-8)20-3-2-9(
    23)19-17(20)28/h2-3,7-8,1
    0-16,21,24-27H,4-5H2,1H3,
    (H,18,22)(H,29,30)(H,31,3
    2)(H,19,23,28)/t7-,8-,10+
    ,11-,12-,13-,14-,15-,16-/
    m1/s1;
    LFTYTUAZOPRMMI-ZYQOOJPVSA-N    		 CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2
    C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; CC(
    =O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(
    =O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@
    H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; O=C1C=
    CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC
    (CO)C(O)C(O)C2NC(C)=O)C(O)C1O; CC(=O)N[C
    H]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(=
    O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)
    N3C=CC(=O)NC3=O; CC(=O)N[C@H]1[C@@H](O)[
    C@H](O)[C@@H](CO)O[C@@H]1O[P](O)(=O)O[P]
    (O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N
    3C=CC(=O)NC3=O    		 (2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name);
    UDP-N-acetyl-alpha-D-mannosamine
    39249
    UDA
    CHEMBL1236544
    DB04174
    ZINC000095543621    		 16 C20 H32 N3 O23 P3 InChI=1S/C20H32N3O23P3/c1
    -7(25)21-11-15(43-20(2,18
    (30)31)45-47(33,34)35)13(
    28)8(5-24)42-17(11)44-49(
    38,39)46-48(36,37)40-6-9-
    12(27)14(29)16(41-9)23-4-
    3-10(26)22-19(23)32/h3-4,
    8-9,11-17,24,27-29H,5-6H2
    ,1-2H3,(H,21,25)(H,30,31)
    (H,36,37)(H,38,39)(H,22,2
    6,32)(H2,33,34,35)/t8-,9-
    ,11-,12-,13-,14-,15-,16-,
    17-,20+/m1/s1;
    NLBIPGBVVPCESQ-BVDGEXFOSA-N    		 CC(=O)N[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C
    @@H]1O[C@@](C)(O[P](O)(O)=O)C(O)=O)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; O=P(OC1OC(C(
    O)C(OC(OP(=O)(O)O)(C(=O)O)C)C1NC(=O)C)CO
    )(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)
    C3O; CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O
    )OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
    C(C)(C(=O)O)OP(=O)(O)O; CC(=O)N[CH]1[CH]
    (O[CH](CO)[CH](O)[CH]1O[C](C)(O[P](O)(O)
    =O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O
    [CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O; CC(=
    O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[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)CO)O)O
    [C@](C)(C(=O)O)OP(=O)(O)O    		 3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
    39250
    UDB
    ZINC000069059999    		 1 C21 H30 F2 N4 O4 InChI=1S/C21H30F2N4O4/c1-
    21(2,3)18(25-20(30)24-16-
    9-14(22)8-15(23)10-16)19(
    29)27(12-17(28)26-31)11-1
    3-6-4-5-7-13/h8-10,13,18,
    31H,4-7,11-12H2,1-3H3,(H,
    26,28)(H2,24,25,30)/t18-/
    m1/s1;
    AJAVBMXPKQJMJH-GOSISDBHSA-N    		 CC(C)(C)C(C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O
    )Nc2cc(cc(c2)F)F; CC(C)(C)[C@H](NC(=O)Nc
    1cc(F)cc(F)c1)C(=O)N(CC2CCCC2)CC(=O)NO;
    CC(C)(C)[CH](NC(=O)Nc1cc(F)cc(F)c1)C(=O)
    N(CC2CCCC2)CC(=O)NO; CC(C)(C)[C@@H](C(=O
    )N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2cc(cc(c2)F
    )F; Fc1cc(cc(F)c1)NC(=O)NC(C(=O)N(CC(=O)
    NO)CC2CCCC2)C(C)(C)C    		 (S)-N-(cyclopentylmethyl)-2-(3-(3,5-difluorophenyl)ureido)-N-(2-(hydroxyamino)-2-oxoethyl)-3,3-dimethylbutanamide
    39251
    UDC
    ZINC000098209492    		 4 C13 H23 N O10 InChI=1S/C13H23NO10/c1-5(
    17)14-8-10(9(19)6(3-15)23
    -11(8)20)24-13(2,12(21)22
    )7(18)4-16/h6-11,15-16,18
    -20H,3-4H2,1-2H3,(H,14,17
    )(H,21,22)/t6-,7+,8-,9-,1
    0-,11+,13+/m1/s1;
    NSPVGDAWQINIKU-TXJFNNIZSA-N    		 CC(=O)NC1C(C(C(OC1O)CO)O)OC(C)(C(CO)O)C(
    =O)O; O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO
    )(C)C(O)CO; CC(=O)N[CH]1[CH](O)O[CH](CO)
    [CH](O)[CH]1O[C](C)([CH](O)CO)C(O)=O; CC
    (=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[
    C@@H]1O[C@@](C)([C@@H](O)CO)C(O)=O; CC(=
    O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)C
    O)O)O[C@@](C)([C@H](CO)O)C(=O)O    		 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose;
    2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose;
    N-acetyl-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-alpha-D-glucosamine;
    2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucose;
    2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-D-glucose;
    2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-glucose
    39252
    UDD
    CHEMBL3104375
    ZINC000095920787    		 1 C23 H20 F6 N4 InChI=1S/C23H20F6N4/c24-2
    2(25,26)16-3-6-18(7-4-16)
    33(20-2-1-11-30-15-20)19-
    9-12-32(13-10-19)21-8-5-1
    7(14-31-21)23(27,28)29/h1
    -8,11,14-15,19H,9-10,12-1
    3H2;
    XCJMUIWIEQFAQX-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(cc1)N(c2cccnc2)C4CCN(c3ncc
    (cc3)C(F)(F)F)CC4; FC(F)(F)c1ccc(cc1)N(C
    2CCN(CC2)c3ccc(cn3)C(F)(F)F)c4cccnc4; c1
    cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c
    4ccc(cn4)C(F)(F)F    		 N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine
    39253
    UDE
    CHEMBL4643353    		 1 C20 H24 N8 O7 S InChI=1S/C20H24N8O7S/c1-1
    1-8-27(20(32)24-18(11)30)
    17-6-15(16(10-29)35-17)28
    -9-13(25-26-28)7-22-19(31
    )23-12-3-2-4-14(5-12)36(2
    1,33)34/h2-5,8-9,15-17,29
    H,6-7,10H2,1H3,(H2,21,33,
    34)(H2,22,23,31)(H,24,30,
    32)/t15-,16+,17+/m0/s1;
    JDLXXAQKDPZINZ-GVDBMIGSSA-N    		 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)n3cc(nn3)
    CNC(=O)Nc4cccc(c4)S(=O)(=O)N; CC1=CN([CH
    ]2C[CH]([CH](CO)O2)n3cc(CNC(=O)Nc4cccc(c
    4)[S](N)(=O)=O)nn3)C(=O)NC1=O; CC1=CN(C(
    =O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(
    nn3)CNC(=O)Nc4cccc(c4)S(=O)(=O)N; CC1=CN
    ([C@H]2C[C@@H]([C@@H](CO)O2)n3cc(CNC(=O)
    Nc4cccc(c4)[S](N)(=O)=O)nn3)C(=O)NC1=O    		 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide;
    1-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-3-(3-sulfamoylphenyl)urea
    39254
    UDF    		 0 C43 H51 N10 O10 InChI=1S/C43H51N10O10/c1-
    25-34(48-39(58)36-33(55)1
    6-9-19-45-36)38(57)47-29(
    17-20-46-50-44)40(59)52-2
    1-10-15-30(52)41(60)51(2)
    32(23-26-11-5-3-6-12-26)4
    2(61)53-22-18-28(54)24-31
    (53)37(56)49-35(43(62)63-
    25)27-13-7-4-8-14-27/h3-9
    ,11-14,16,19,25,28-32,34-
    35,44,54-55H,10,15,17-18,
    20-24H2,1-2H3,(H,47,57)(H
    ,48,58)(H,49,56)/t25-,28-
    ,29-,30+,31+,32+,34+,35+/
    m1/s1;
    GGUGHAXGYRHUOM-RILDDUCRSA-N    		 C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C
    @H]2C(=O)N([C@H](C(=O)N3CC[C@H](C[C@H]3C
    (=O)N[C@H](C(=O)O1)c4ccccc4)O)Cc5ccccc5)
    C)CCN=[N]=N)NC(=O)c6c(cccn6)O; C[CH]1OC(
    =O)[CH](NC(=O)[CH]2C[CH](O)CCN2C(=O)[CH]
    (Cc3ccccc3)N(C)C(=O)[CH]4CCCN4C(=O)[CH](
    CCN=[N]=N)NC(=O)[CH]1NC(=O)c5ncccc5O)c6c
    cccc6; C[C@H]1OC(=O)[C@@H](NC(=O)[C@@H]2
    C[C@H](O)CCN2C(=O)[C@H](Cc3ccccc3)N(C)C(
    =O)[C@@H]4CCCN4C(=O)[C@@H](CCN=[N]=N)NC(
    =O)[C@H]1NC(=O)c5ncccc5O)c6ccccc6; CC1C(
    C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(
    CC3C(=O)NC(C(=O)O1)c4ccccc4)O)Cc5ccccc5)
    C)CCN=[N]=N)NC(=O)c6c(cccn6)O    		 ~{N}-[(3~{S},6~{S},12~{R},15~{S},16~{R},19~{S},22~{S},24~{R})-12-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethyl]-4,16-dimethyl-24-oxidanyl-2,5,11,14,18,21-hexakis(oxidanylidene)-19-phenyl-3-(phenylmethyl)-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide
    39255
    UDG    		 1 C43 H77 N3 O20 P2 InChI=1S/C43H77N3O20P2/c1
    -3-5-7-9-11-13-15-17-19-2
    1-29(48)25-34(51)44-36-40
    (64-35(52)26-30(49)22-20-
    18-16-14-12-10-8-6-4-2)38
    (54)31(27-47)63-42(36)65-
    68(59,60)66-67(57,58)61-2
    8-32-37(53)39(55)41(62-32
    )46-24-23-33(50)45-43(46)
    56/h23-24,29-32,36-42,47-
    49,53-55H,3-22,25-28H2,1-
    2H3,(H,44,51)(H,57,58)(H,
    59,60)(H,45,50,56)/t29-,3
    0-,31-,32-,36-,37-,38-,39
    -,40-,41-,42-/m1/s1;
    KOJCFMYSTWNMQW-RUAJDYCTSA-N    		 CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O)(O)
    OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)
    O)CO)O)OC(=O)CC(CCCCCCCCCCC)O)O; CCCCCCC
    CCCC[CH](O)CC(=O)N[CH]1[CH](O[CH](CO)[CH
    ](O)[CH]1OC(=O)C[CH](O)CCCCCCCCCCC)O[P](
    O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH
    ]2O)N3C=CC(=O)NC3=O; O=C1C=CN(C(=O)N1)C2
    OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(OC
    (=O)CC(O)CCCCCCCCCCC)C3NC(=O)CC(O)CCCCCC
    CCCCC)CO)O)O; CCCCCCCCCCC[C@@H](O)CC(=O)
    N[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O
    C(=O)C[C@H](O)CCCCCCCCCCC)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; CCCCCCCCCCC[C@H](CC(=O)
    N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[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)CO)O)OC(=
    O)C[C@@H](CCCCCCCCCCC)O)O    		 (2R,3R,4R,5S,6R)-2-{[(S)-{[(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}-5-hydroxy-6-(hydroxymethyl)-3-{[(3R)-3-hydroxytetradecanoyl]amino}tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate
    39256
    UDH
    DB02696
    ZINC000013523996    		 25 C15 H27 N3 O12 P2 InChI=1S/C15H27N3O12P2/c1
    6-6-3-1-2-4-8-27-31(23,24
    )30-32(25,26)28-9-10-12(2
    0)13(21)14(29-10)18-7-5-1
    1(19)17-15(18)22/h5,7,10,
    12-14,20-21H,1-4,6,8-9,16
    H2,(H,23,24)(H,25,26)(H,1
    7,19,22)/t10-,12-,13-,14-
    /m1/s1;
    MLWJBKPFDKRHBM-FMKGYKFTSA-N    		 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP
    (=O)(O)OCCCCCCN)O)O; O=P(O)(OCCCCCCN)OP(
    =O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O;
    C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCC
    N)O)O; NCCCCCCO[P](O)(=O)O[P](O)(=O)OC[C
    H]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O;
    NCCCCCCO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C
    @H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O    		 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE
    39257
    UDI
    ZINC000003860245    		 1 C4 H10 S2 InChI=1S/C4H10S2/c5-3-1-2
    -4-6/h5-6H,1-4H2;
    SMTOKHQOVJRXLK-UHFFFAOYSA-N    		 SCCCCS; C(CCS)CS butane-1,4-dithiol;
    1,2-dithiane 1-oxide (reacted)
    39258
    UDJ
    ZINC000003797551    		 4 C24 H31 N O InChI=1S/C24H31NO/c1-23-1
    1-9-18(26)14-17(23)5-6-19
    -21-8-7-20(16-4-3-13-25-1
    5-16)24(21,2)12-10-22(19)
    23/h3-4,7,13,15,17,19,21-
    22H,5-6,8-12,14H2,1-2H3/t
    17-,19-,21-,22-,23-,24+/m
    0/s1;
    FKNZCFYWNHCQGE-IRMBCWQZSA-N    		 CC12CCC(=O)CC1CCC3C2CCC4(C3CC=C4c5cccnc5
    )C; C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H
    ]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5; C[C]12
    CCC(=O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3C
    C=C4c5cccnc5; c1ccncc1C=4C3(CCC5C2(CCC(=
    O)CC2CCC5C3CC=4)C)C; C[C@]12CCC(=O)C[C@@
    H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5
    cccnc5)C    		 (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one
    39259
    UDK    		 1 C25 H36 N6 O2 InChI=1S/C25H36N6O2/c1-19
    -8-12-30(13-9-19)15-20-4-
    6-21(7-5-20)24(32)27-16-2
    5(33)10-3-11-31(17-25)23-
    14-22(26-2)28-18-29-23/h4
    -7,14,18-19,33H,3,8-13,15
    -17H2,1-2H3,(H,27,32)(H,2
    6,28,29)/t25-/m1/s1;
    WWAIRFCQIINAHC-RUZDIDTESA-N    		 CC1CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN
    (C3)c4cc(ncn4)NC)O; CNc1cc(ncn1)N2CCC[C@
    @](O)(CNC(=O)c3ccc(CN4CCC(C)CC4)cc3)C2;
    CC1CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3)
    c4cc(ncn4)NC)O; CNc1cc(ncn1)N2CCC[C](O)(
    CNC(=O)c3ccc(CN4CCC(C)CC4)cc3)C2    		 (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide;
    ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
    39260
    UDM
    CHEMBL596137
    ZINC000016051788    		 3 C18 H29 N3 O16 P2 InChI=1S/C18H29N3O16P2/c1
    -7(23)19-12-10(35-8(4-22)
    13(25)15(12)27)6-38(30,31
    )37-39(32,33)34-5-9-14(26
    )16(28)17(36-9)21-3-2-11(
    24)20-18(21)29/h2-3,8-10,
    12-17,22,25-28H,4-6H2,1H3
    ,(H,19,23)(H,30,31)(H,32,
    33)(H,20,24,29)/t8-,9-,10
    -,12+,13-,14-,15-,16-,17-
    /m1/s1;
    KUFKOJZYUNOEES-DLLWPQOWSA-N    		 CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1
    O)O)CO)C[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; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[C
    H]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([C
    H](O)[CH]2O)N3C=CC(=O)NC3=O; CC(=O)NC1C(
    OC(C(C1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2C(C(
    C(O2)N3C=CC(=O)NC3=O)O)O; CC(=O)N[C@@H]1
    [C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1C[P@@
    ](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H
    ](O)[C@@H]2O)N3C=CC(=O)NC3=O    		 URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE;
    ((2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)METHYLPHOSPHONIC (((2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL PHOSPHORIC) ANHYDRIDE
    39261
    UDN    		 2 C18 H29 N3 O16 P2 InChI=1S/C18H29N3O16P2/c1
    -7(23)19-12-10(35-8(4-22)
    13(25)15(12)27)6-38(30,31
    )37-39(32,33)34-5-9-14(26
    )16(28)17(36-9)21-3-2-11(
    24)20-18(21)29/h2-3,8-10,
    12-17,22,25-28H,4-6H2,1H3
    ,(H,19,23)(H,30,31)(H,32,
    33)(H,20,24,29)/t8-,9+,10
    -,12+,13+,14-,15-,16-,17-
    /m1/s1;
    KUFKOJZYUNOEES-HCUIDVLSSA-N    		 CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C
    O)O[C@@H]1C[P](O)(=O)O[P](O)(=O)OC[C@@H]
    2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O
    ; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH
    ]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH
    ](O)[CH]2O)N3C=CC(=O)NC3=O; CC(=O)NC1C(O
    C(C(C1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2C(C(C
    (O2)N3C=CC(=O)NC3=O)O)O; CC(=O)N[C@H]1[C
    @H](O[C@@H]([C@@H]([C@@H]1O)O)CO)CP(=O)(
    O)OP(=O)(O)OCC2[C@H]([C@H]([C@@H](O2)N3C
    =CC(=O)NC3=O)O)O    		 Uridine-Diphosphate-Methylene-N-acetyl-galactosamine
    39262
    UDO
    CHEMBL3104526
    ZINC000095920780    		 1 C24 H21 Cl F3 N3 O InChI=1S/C24H21ClF3N3O/c2
    5-20-7-3-17(4-8-20)22(18-
    2-1-11-29-16-18)23(32)31-
    14-12-30(13-15-31)21-9-5-
    19(6-10-21)24(26,27)28/h1
    -11,16,22H,12-15H2/t22-/m
    0/s1;
    OJFZYAQGMWSUID-QFIPXVFZSA-N    		 FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)[CH](c3
    ccc(Cl)cc3)c4cccnc4; c1cc(cnc1)[C@H](c2c
    cc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)(
    F)F; FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)[C
    @@H](c3ccc(Cl)cc3)c4cccnc4; O=C(N2CCN(c1
    ccc(cc1)C(F)(F)F)CC2)C(c3ccc(Cl)cc3)c4cc
    cnc4; c1cc(cnc1)C(c2ccc(cc2)Cl)C(=O)N3CC
    N(CC3)c4ccc(cc4)C(F)(F)F    		 (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
    39263
    UDP
    CHEMBL130266
    DB03435
    ZINC000004490939    		 1262 C9 H14 N2 O12 P2 InChI=1S/C9H14N2O12P2/c12
    -5-1-2-11(9(15)10-5)8-7(1
    4)6(13)4(22-8)3-21-25(19,
    20)23-24(16,17)18/h1-2,4,
    6-8,13-14H,3H2,(H,19,20)(
    H,10,12,15)(H2,16,17,18)/
    t4-,6-,7-,8-/m1/s1;
    XCCTYIAWTASOJW-XVFCMESISA-N    		 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O; O[CH
    ]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[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)=O)N2
    C=CC(=O)NC2=O; C1=CN(C(=O)NC1=O)C2C(C(C(
    O2)COP(=O)(O)OP(=O)(O)O)O)O; O=P(O)(O)OP
    (=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O    		 URIDINE-5'-DIPHOSPHATE
    39264
    UDQ
    ZINC000257282554    		 1 C24 H34 N6 O2 InChI=1S/C24H34N6O2/c1-25
    -21-14-22(28-18-27-21)30-
    13-5-10-24(32,17-30)16-26
    -23(31)20-8-6-19(7-9-20)1
    5-29-11-3-2-4-12-29/h6-9,
    14,18,32H,2-5,10-13,15-17
    H2,1H3,(H,26,31)(H,25,27,
    28)/t24-/m1/s1;
    OUFLYLBALJIUPJ-XMMPIXPASA-N    		 CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(c
    c3)CN4CCCCC4)O; CNc1cc(ncn1)N2CCCC(C2)(C
    NC(=O)c3ccc(cc3)CN4CCCCC4)O; CNc1cc(ncn1
    )N2CCC[C](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3)
    C2; CNc1cc(ncn1)N2CCC[C@@](O)(CNC(=O)c3c
    cc(CN4CCCCC4)cc3)C2    		 N-[[(3R)-3-Hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide;
    ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
    39265
    UDR
    CHEMBL574823
    ZINC000034875798    		 1 C27 H29 N3 O5 S InChI=1S/C27H29N3O5S/c1-1
    5-11-18(13-21(24(15)33-5)
    26(31)36-6)20(9-7-8-10-23
    -29-28-17(3)34-23)19-12-1
    6(2)25-22(14-19)30(4)27(3
    2)35-25/h9,11-14H,7-8,10H
    2,1-6H3/b20-9+;
    OIXOQSQILWVOGS-AWQFTUOYSA-N    		 COc1c(C)cc(cc1C(=O)SC)C(=CCCCc2oc(C)nn2)
    c3cc(C)c4OC(=O)N(C)c4c3; O=C(SC)c1c(OC)c
    (cc(c1)C(\c3cc2c(OC(=O)N2C)c(c3)C)=C/CCC
    c4nnc(o4)C)C; Cc1cc(cc2c1OC(=O)N2C)C(=CC
    CCc3nnc(o3)C)c4cc(c(c(c4)C(=O)SC)OC)C; C
    Oc1c(C)cc(cc1C(=O)SC)\C(=C/CCCc2oc(C)nn2
    )c3cc(C)c4OC(=O)N(C)c4c3; Cc1cc(cc2c1OC(
    =O)N2C)/C(=C/CCCc3nnc(o3)C)/c4cc(c(c(c4)
    C(=O)SC)OC)C    		 (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate;
    S-methyl 5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methox y-3-methylbenzenecarbothioate
    39266
    UDS
    ZINC000058649713    		 0 C13 H12 N2 O5 InChI=1S/C13H12N2O5/c16-6
    -9(13(19)20)15-12(18)11-1
    0(17)5-7-3-1-2-4-8(7)14-1
    1/h1-5,9,16-17H,6H2,(H,15
    ,18)(H,19,20)/t9-/m1/s1;
    BTUDZNSKPNNMTD-SECBINFHSA-N    		 OC[CH](NC(=O)c1nc2ccccc2cc1O)C(O)=O; c1c
    cc2c(c1)cc(c(n2)C(=O)N[C@H](CO)C(=O)O)O;
    O=C(O)C(NC(=O)c1nc2ccccc2cc1O)CO; c1ccc
    2c(c1)cc(c(n2)C(=O)NC(CO)C(=O)O)O; OC[C@
    @H](NC(=O)c1nc2ccccc2cc1O)C(O)=O    		 N-[(3-HYDROXYQUINOLIN-2-YL)CARBONYL]-D-SERINE
    39267
    UDT
    DB08684
    ZINC000053683305    		 2 C11 H22 O2 S InChI=1S/C11H22O2S/c1-2-3
    -4-5-6-7-8-9-10-13-11(12)
    14/h2-10H2,1H3,(H,12,14);
    RFWUWWWJCLPVPT-UHFFFAOYSA-N    		 CCCCCCCCCCOC(S)=O; CCCCCCCCCCOC(=O)S; O=
    C(OCCCCCCCCCC)S    		 O-DECYL HYDROGEN THIOCARBONATE
    39268
    UDU    		 0 C73 H88 F N13 O16 InChI=1S/C73H88FN13O16/c1
    -42(2)64-47(24-25-59(91)7
    5-28-12-16-43(3)34-51(89)
    37-48(74)38-60-77-53(41-1
    01-60)69(96)86-31-15-22-5
    5(86)72(99)103-64)36-49-4
    0-84(82-81-49)32-27-52-68
    (95)85-30-14-21-54(85)70(
    97)83(5)57(35-45-17-8-6-9
    -18-45)71(98)87-33-26-50(
    88)39-56(87)65(92)80-62(4
    6-19-10-7-11-20-46)73(100
    )102-44(4)61(66(93)78-52)
    79-67(94)63-58(90)23-13-2
    9-76-63/h6-13,16-20,23-25
    ,29,34,40-42,44,47-48,50-
    52,54-57,61-62,64,88-90H,
    14-15,21-22,26-28,30-33,3
    5-39H2,1-5H3,(H,75,91)(H,
    78,93)(H,79,94)(H,80,92)/
    b16-12+,25-24+,43-34+/t44
    -,47+,48-,50-,51-,52-,54+
    ,55-,56+,57+,61+,62+,64-/
    m1/s1;
    AKWYIICERUUSEV-ICXLGISRSA-N    		 CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[C
    H](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1Cc4
    cn(CC[CH]5NC(=O)[CH](NC(=O)c6ncccc6O)[CH
    ](C)OC(=O)[CH](NC(=O)[CH]7C[CH](O)CCN7C(
    =O)[CH](Cc8ccccc8)N(C)C(=O)[CH]9CCCN9C5=
    O)c%10ccccc%10)nn4)n3; CC(C)[C@H]1OC(=O)
    [C@H]2CCCN2C(=O)c3coc(C[C@H](F)C[C@H](O)
    /C=C(C)/C=C/CNC(=O)/C=C/[C@H]1Cc4cn(CC[C
    @H]5NC(=O)[C@@H](NC(=O)c6ncccc6O)[C@@H](
    C)OC(=O)[C@@H](NC(=O)[C@@H]7C[C@H](O)CCN
    7C(=O)[C@H](Cc8ccccc8)N(C)C(=O)[C@@H]9CC
    CN9C5=O)c%10ccccc%10)nn4)n3; CC1C(C(=O)N
    C(C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(CC3C(=
    O)NC(C(=O)O1)c4ccccc4)O)Cc5ccccc5)C)CCn6
    cc(nn6)CC7C=CC(=O)NCC=CC(=CC(CC(Cc8nc(co
    8)C(=O)N9CCCC9C(=O)OC7C(C)C)F)O)C)NC(=O)
    c1c(cccn1)O; C[C@@H]1[C@@H](C(=O)N[C@@H]
    (C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CC[
    C@H](C[C@H]3C(=O)N[C@H](C(=O)O1)c4ccccc4
    )O)Cc5ccccc5)C)CCn6cc(nn6)C[C@@H]7/C=C/C
    (=O)NC/C=C/C(=C/[C@H](C[C@H](Cc8nc(co8)C
    (=O)N9CCC[C@@H]9C(=O)O[C@@H]7C(C)C)F)O)/
    C)NC(=O)c1c(cccn1)O; CC1=CC(O)CC(F)Cc2nc
    (co2)C(=O)N2CCCC2C(=O)OC(C(C)C)C(C=CC(=O
    )NCC=C1)Cc1cn(nn1)CCC1NC(=O)C(NC(=O)c2nc
    ccc2O)C(C)OC(=O)C(NC(=O)C2CC(O)CCN2C(=O)
    C(Cc2ccccc2)N(C)C(=O)C2CCCN2C1=O)c1ccccc
    1    		 N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[2-(4-{[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)ethyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide
    39269
    UDV    		 2 C23 H19 Cl N6 InChI=1S/C23H19ClN6/c1-14
    -27-28-22-23(9-10-23)26-2
    1(15-3-6-18(24)7-4-15)19-
    11-16(5-8-20(19)30(14)22)
    17-12-25-29(2)13-17/h3-8,
    11-13H,9-10H2,1-2H3;
    UXTMKNQZSFMNHD-UHFFFAOYSA-N    		 c4(C)nnc5C1(CC1)N=C(c2c(ccc(c2)c3cn(C)nc
    3)n45)c6ccc(cc6)Cl; Cc1nnc2n1-c3ccc(cc3C
    (=NC24CC4)c5ccc(cc5)Cl)c6cnn(c6)C; Cn1cc
    (cn1)c2ccc3n4c(C)nnc4C5(CC5)N=C(c6ccc(Cl
    )cc6)c3c2    		 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine]
    39270
    UDW    		 1 C17 H23 N5 O3 S InChI=1S/C17H23N5O3S/c18-
    26(24,25)15-5-1-3-13(7-15
    )9-19-16-8-17(21-12-20-16
    )22-6-2-4-14(10-22)11-23/
    h1,3,5,7-8,12,14,23H,2,4,
    6,9-11H2,(H2,18,24,25)(H,
    19,20,21)/t14-/m1/s1;
    FIYSDYINBKMBKY-CQSZACIVSA-N    		 c1cc(cc(c1)S(=O)(=O)N)CNc2cc(ncn2)N3CCCC
    (C3)CO; c1cc(cc(c1)S(=O)(=O)N)CNc2cc(ncn
    2)N3CCC[C@H](C3)CO; N[S](=O)(=O)c1cccc(C
    Nc2cc(ncn2)N3CCC[CH](CO)C3)c1; N[S](=O)(
    =O)c1cccc(CNc2cc(ncn2)N3CCC[C@@H](CO)C3)
    c1    		 (S)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide;
    3-[[[6-[(3~{R})-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
    39271
    UDX
    DB01713
    ZINC000008551129    		 68 C14 H22 N2 O16 P2 InChI=1S/C14H22N2O16P2/c1
    7-5-3-28-13(11(22)8(5)19)
    31-34(26,27)32-33(24,25)2
    9-4-6-9(20)10(21)12(30-6)
    16-2-1-7(18)15-14(16)23/h
    1-2,5-6,8-13,17,19-22H,3-
    4H2,(H,24,25)(H,26,27)(H,
    15,18,23)/t5-,6-,8+,9-,10
    -,11-,12-,13-/m1/s1;
    DQQDLYVHOTZLOR-OCIMBMBZSA-N    		 O[C@@H]1CO[C@H](O[P@@](O)(=O)O[P@@](O)(=
    O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC
    (=O)NC3=O)[C@H](O)[C@H]1O; O=P(OC1OCC(O)
    C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2
    =O)C(O)C3O; C1C(C(C(C(O1)OP(=O)(O)OP(=O)
    (O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)
    O; C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=
    O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C
    @@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O; O[CH]
    1CO[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[C
    H]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)
    [CH]1O    		 URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE;
    UDP-ALPHA-D-XYLOPYRANOSE
    39272
    UDY
    CHEMBL587611    		 1 C15 H9 F N4 S2 InChI=1S/C15H9FN4S2/c16-9
    -4-5-11-13(7-9)22-15(18-1
    1)20-14-19-12(8-21-14)10-
    3-1-2-6-17-10/h1-8H,(H,18
    ,19,20);
    CKLUPEBKNDQOFT-UHFFFAOYSA-N    		 c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F; Fc
    1ccc2nc(Nc3scc(n3)c4ccccn4)sc2c1    		 6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
    39273
    UDZ
    ZINC000098209493    		 2 C17 H27 N6 O16 P2 InChI=1S/C17H26N6O16P2/c1
    -6(24)20-10-13(28)11(26)7
    (4-19-22-18)37-16(10)38-4
    1(33,34)39-40(31,32)35-5-
    8-12(27)14(29)15(36-8)23-
    3-2-9(25)21-17(23)30/h2-3
    ,7-8,10-16,18,26-29H,4-5H
    2,1H3,(H3-,20,21,24,25,30
    ,31,32,33,34)/p+1/t7-,8-,
    10-,11-,12-,13-,14-,15-,1
    6-/m1/s1;
    JRORMXITLCSMOP-CFRASDGPSA-O    		 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CN
    =[N+]=N)O[C@@H]1O[P](O)(=O)O[P](O)(=O)OC
    [C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)
    NC3=O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CN
    =[N+]=N)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[C
    H]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O;
    O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP
    (=O)(OC3OC(C(O)C(O)C3NC(=O)C)C/N=[N+]=[N
    @H])O)O; CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=
    O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CN
    =[N+]=N)O)O; CC(=O)N[C@@H]1[C@H]([C@@H](
    [C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]
    2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O
    )O)CN=[N+]=N)O)O
    39274
    UE0    		 1 C15 H19 N O3 InChI=1S/C15H19NO3/c1-11-
    4-6-13(7-5-11)15(14(18)19
    )8-3-9-16(10-15)12(2)17/h
    4-7H,3,8-10H2,1-2H3,(H,18
    ,19)/t15-/m1/s1;
    FZGIXDHLUQHJKF-OAHLLOKOSA-N    		 CC(=O)N1CCC[C@](C1)(C(O)=O)c2ccc(C)cc2;
    Cc1ccc(cc1)[C@]2(CCCN(C2)C(=O)C)C(=O)O;
    CC(=O)N1CCC[C](C1)(C(O)=O)c2ccc(C)cc2; C
    c1ccc(cc1)C2(CCCN(C2)C(=O)C)C(=O)O    		 (3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid
    39275
    UE1    		 3 C23 H27 N10 O13 S2 InChI=1S/C23H28N10O13S2/c
    1-23(2,19(40)41)46-30-16(
    13-9-47-20(24)28-13)18(39
    )27-10(7-34)4-26-21(42)31
    -48(44,45)33-22(43)32(6-1
    1(36)8-35)17(29-33)12-3-1
    4(37)15(38)5-25-12/h3,5,7
    ,9-11,35-36,38H,4,6,8H2,1
    -2H3,(H2,24,28)(H,25,37)(
    H,27,39)(H,40,41)(H2,26,3
    1,42)/p-1/b30-16-/t10-,11
    +/m0/s1;
    CVHWOSQJHWFYSJ-DXKYJFGHSA-M    		 CC(C)(C(=O)[O-])ON=C(c1csc(n1)N)C(=O)NC(
    CNC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)c3cc(c(c
    n3)O)O)CC(CO)O)C=O; CC(C)(ON=C(C(=O)N[CH
    ](CNC(=O)N[S](=O)(=O)N1N=C(N(C[CH](O)CO)
    C1=O)c2cc(O)c(O)cn2)C=O)c3csc(N)n3)C([O-
    ])=O; CC(C)(C(=O)[O-])O/N=C(/c1csc(n1)N)
    \C(=O)N[C@@H](CNC(=O)NS(=O)(=O)N2C(=O)N(
    C(=N2)c3cc(c(cn3)O)O)C[C@H](CO)O)C=O; CC
    (C)(O\N=C(/C(=O)N[C@@H](CNC(=O)N[S](=O)(
    =O)N1N=C(N(C[C@@H](O)CO)C1=O)c2cc(O)c(O)
    cn2)C=O)c3csc(N)n3)C([O-])=O; O=C1N(C(=N
    N1S(=O)(=O)NC(=O)NCC(C=O)NC(=O)C(=N\OC(C
    ([O-])=O)(C)C)/c2nc(sc2)N)c3ncc(O)c(O)c3
    )CC(O)CO    		 (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate;
    MC-1 (open form)
    39276
    UE2    		 1 C26 H38 N6 O2 InChI=1S/C26H38N6O2/c1-25
    (2)10-13-31(14-11-25)16-2
    0-5-7-21(8-6-20)24(33)28-
    17-26(34)9-4-12-32(18-26)
    23-15-22(27-3)29-19-30-23
    /h5-8,15,19,34H,4,9-14,16
    -18H2,1-3H3,(H,28,33)(H,2
    7,29,30)/t26-/m1/s1;
    IIFMUBYLGZFTQM-AREMUKBSSA-N    		 CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3
    )c4cc(ncn4)NC)O)C; CC1(CCN(CC1)Cc2ccc(cc
    2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C
    ; CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(C
    N4CCC(C)(C)CC4)cc3)C2; CNc1cc(ncn1)N2CCC
    [C@@](O)(CNC(=O)c3ccc(CN4CCC(C)(C)CC4)cc
    3)C2    		 (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide;
    4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]benzamide
    39277
    UE3
    ZINC000000394028    		 1 C5 H10 O3 InChI=1S/C5H10O3/c1-2-3-4
    (6)5(7)8/h4,6H,2-3H2,1H3,
    (H,7,8)/t4-/m1/s1;
    JRHWHSJDIILJAT-SCSAIBSYSA-N    		 CCC[CH](O)C(O)=O; CCCC(C(=O)O)O; CCC[C@H
    ](C(=O)O)O; CCC[C@@H](O)C(O)=O    		 (2R)-2-oxidanylpentanoic acid;
    (2R)-2-hydroxypentanoic acid
    39278
    UE5    		 1 C32 H42 N6 O2 InChI=1S/C32H42N6O2/c1-31
    (2)14-17-37(18-15-31)21-2
    6-9-11-27(12-10-26)30(39)
    34-22-32(40)13-6-16-38(23
    -32)29-19-28(35-24-36-29)
    33-20-25-7-4-3-5-8-25/h3-
    5,7-12,19,24,40H,6,13-18,
    20-23H2,1-2H3,(H,34,39)(H
    ,33,35,36)/t32-/m1/s1;
    UMNYWWVELYOOIU-JGCGQSQUSA-N    		 CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3
    )c4cc(ncn4)NCc5ccccc5)O)C; CC1(CCN(CC1)C
    c2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn
    4)NCc5ccccc5)O)C; CC1(C)CCN(CC1)Cc2ccc(c
    c2)C(=O)NC[C@]3(O)CCCN(C3)c4cc(NCc5ccccc
    5)ncn4; CC1(C)CCN(CC1)Cc2ccc(cc2)C(=O)NC
    [C]3(O)CCCN(C3)c4cc(NCc5ccccc5)ncn4    		 (R)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide;
    4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
    39279
    UE6    		 0 C34 H47 F N8 O7 InChI=1S/C34H47FN8O7/c1-2
    1(2)32-23(15-30(46)38-11-
    13-42-19-25(18-36)40-41-4
    2)8-9-29(45)37-10-4-6-22(
    3)14-26(44)16-24(35)17-31
    -39-27(20-49-31)33(47)43-
    12-5-7-28(43)34(48)50-32/
    h4,6,8-9,14,19-21,23-24,2
    6,28,32,44H,5,7,10-13,15-
    18,36H2,1-3H3,(H,37,45)(H
    ,38,46)/b6-4+,9-8+,22-14+
    /t23-,24+,26+,28+,32+/m0/
    s1;
    RNJPMSAQPUHGGT-ZOWXNTJRSA-N    		 CC(C)[C@H]1OC(=O)[C@H]2CCCN2C(=O)c3coc(C
    [C@H](F)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C
    /[C@H]1CC(=O)NCCn4cc(CN)nn4)n3; CC(C)[CH
    ]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[CH](F)C[C
    H](O)C=C(C)C=CCNC(=O)C=C[CH]1CC(=O)NCCn4
    cc(CN)nn4)n3; C/C/1=C\[C@H](C[C@H](Cc2nc
    (co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H
    ](/C=C/C(=O)NC\C=C1)CC(=O)NCCn4cc(nn4)CN
    )C(C)C)F)O; CC1=CC(CC(Cc2nc(co2)C(=O)N3C
    CCC3C(=O)OC(C(C=CC(=O)NCC=C1)CC(=O)NCCn4
    cc(nn4)CN)C(C)C)F)O; NCc1cn(nn1)CCNC(=O)
    CC1C=CC(=O)NCC=CC(C)=CC(O)CC(F)Cc2nc(co2
    )C(=O)N2CCCC2C(=O)OC1C(C)C    		 N-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethyl}-2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]acetamide
    39280
    UE7    		 2 C9 H13 N3 O3 S InChI=1S/C9H13N3O3S/c1-2-
    11-9(13)12-7-3-5-8(6-4-7)
    16(10,14)15/h3-6H,2H2,1H3
    ,(H2,10,14,15)(H2,11,12,1
    3);
    MMKFCCLMBRGOIK-UHFFFAOYSA-N    		 CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O; CCNC(=O
    )Nc1ccc(cc1)S(=O)(=O)N    		 1-ethyl-3-(4-sulfamoylphenyl)urea;
    4-(3-ethylureido)benzenesulfonamide
    39281
    UE8
    CHEMBL4278946
    ZINC000038437163    		 4 C10 H12 N4 O2 S InChI=1S/C10H12N4O2S/c15-
    9-7-8(12-5-11-7)14(10(17)
    13-9)4-6-2-1-3-16-6/h5-6H
    ,1-4H2,(H,11,12)(H,13,15,
    17)/t6-/m1/s1;
    RSPDBEVKURKEII-ZCFIWIBFSA-N    		 O=C1NC(=S)N(C[CH]2CCCO2)c3[nH]cnc13; O=C
    1NC(=S)N(C[C@H]2CCCO2)c3[nH]cnc13; c1[nH
    ]c2c(n1)C(=O)NC(=S)N2C[C@H]3CCCO3; c1[nH
    ]c2c(n1)C(=O)NC(=S)N2CC3CCCO3    		 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one;
    3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one
    39282
    UE9    		 1 C22 H18 F4 N4 O2 InChI=1S/C22H18F4N4O2/c1-
    12-5-3-4-6-17(12)29-19-18
    (9-14(11-28-19)20(31)27-2
    )30-21(32)13-7-15(22(24,2
    5)26)10-16(23)8-13/h3-11H
    ,1-2H3,(H,27,31)(H,28,29)
    (H,30,32);
    ZQUWDKRQMSZGSZ-UHFFFAOYSA-N    		 CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c3cc(F)c
    c(c3)C(F)(F)F)c1; FC(F)(F)c1cc(cc(F)c1)C
    (=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC; Cc1ccc
    cc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc(cc(c3)
    F)C(F)(F)F    		 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
    39283
    UEA    		 0 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3-
    5,7-11H,1-2H2/t3-,4+,5-,6
    -/m1/s1;
    RFSUNEUAIZKAJO-JGWLITMVSA-N    		 C([C@@H]1[C@@H]([C@H]([C@](O1)(CO)O)O)O)
    O; OC[CH]1O[C](O)(CO)[CH](O)[CH]1O; C(C1
    C(C(C(O1)(CO)O)O)O)O; OC[C@H]1O[C@](O)(C
    O)[C@H](O)[C@H]1O; OC1(C(C(C(O1)CO)O)O)C
    O    		 beta-D-sorbofuranose;
    beta-D-sorbose;
    D-sorbose;
    sorbose
    39284
    UEB    		 4 C20 H18 N4 O S InChI=1S/C20H18N4OS/c21-1
    7(13-6-2-1-3-7-13)15-9-5-
    4-8-14(15)12-24-16-10-11-
    22-18(16)19(25)23-20(24)2
    6/h1-11,17,22H,12,21H2,(H
    ,23,25,26)/t17-/m1/s1;
    JABFRGYJMKKWKF-QGZVFWFLSA-N    		 c1ccc(cc1)[C@H](c2ccccc2CN3c4cc[nH]c4C(=
    O)NC3=S)N; c1ccc(cc1)C(c2ccccc2CN3c4cc[n
    H]c4C(=O)NC3=S)N; N[C@H](c1ccccc1)c2cccc
    c2CN3C(=S)NC(=O)c4[nH]ccc34; N[CH](c1ccc
    cc1)c2ccccc2CN3C(=S)NC(=O)c4[nH]ccc34    		 (S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one;
    1-[[2-[(~{R})-azanyl(phenyl)methyl]phenyl]methyl]-2-sulfanylidene-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
    39285
    UEC    		 0 C38 H47 F N8 O7 InChI=1S/C38H47FN8O7/c1-2
    4(2)36-27(19-34(50)42-15-
    17-46-22-30(44-45-46)26-1
    0-13-40-14-11-26)8-9-33(4
    9)41-12-4-6-25(3)18-29(48
    )20-28(39)21-35-43-31(23-
    53-35)37(51)47-16-5-7-32(
    47)38(52)54-36/h4,6,8-11,
    13-14,18,22-24,27-29,32,3
    6,48H,5,7,12,15-17,19-21H
    2,1-3H3,(H,41,49)(H,42,50
    )/b6-4+,9-8+,25-18+/t27-,
    28+,29+,32+,36+/m0/s1;
    ZKKDHTKKKXTJNA-MYNZRUMZSA-N    		 C/C/1=C\[C@H](C[C@H](Cc2nc(co2)C(=O)N3CC
    C[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC
    \C=C1)CC(=O)NCCn4cc(nn4)c5ccncc5)C(C)C)F
    )O; CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc
    (C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]
    1CC(=O)NCCn4cc(nn4)c5ccncc5)n3; CC(C)[C@
    H]1OC(=O)[C@H]2CCCN2C(=O)c3coc(C[C@H](F)
    C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]1C
    C(=O)NCCn4cc(nn4)c5ccncc5)n3; CC1=CC(CC(
    Cc2nc(co2)C(=O)N3CCCC3C(=O)OC(C(C=CC(=O)
    NCC=C1)CC(=O)NCCn4cc(nn4)c5ccncc5)C(C)C)
    F)O; CC(C)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)C
    C(F)CC(O)C=C(C)C=CCNC(=O)C=CC1CC(=O)NCCn
    1cc(nn1)c1ccncc1    		 2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide
    39286
    UED
    ZINC000072178988    		 40 C21 H31 N3 O5 InChI=1S/C21H31N3O5/c1-14
    (2)10-18(24-21(28)29-13-1
    5-6-4-3-5-7-15)20(27)23-1
    7(12-25)11-16-8-9-22-19(1
    6)26/h3-7,14,16-18,25H,8-
    13H2,1-2H3,(H,22,26)(H,23
    ,27)(H,24,28)/t16-,17-,18
    -/m0/s1;
    JUCVXDDMQHPCKT-BZSNNMDCSA-N    		 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]
    (CO)C[C@@H]2CCNC2=O; CC(C)CC(C(=O)NC(CC1
    CCNC1=O)CO)NC(=O)OCc2ccccc2; CC(C)C[CH](
    NC(=O)OCc1ccccc1)C(=O)N[CH](CO)C[CH]2CCN
    C2=O; C(OC(=O)NC(C(NC(CO)CC1C(NCC1)=O)=O
    )CC(C)C)c2ccccc2; CC(C)C[C@@H](C(=O)N[C@
    @H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2    		 N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide;
    GC373 bound form, GC376 bound form
    39287
    UEE    		 2 C31 H38 N6 O2 InChI=1S/C31H38N6O2/c38-2
    9(26-10-8-25(9-11-26)18-3
    6-20-30(21-36)12-4-13-30)
    33-19-31(39)14-5-15-37(22
    -31)28-16-27(34-23-35-28)
    32-17-24-6-2-1-3-7-24/h1-
    3,6-11,16,23,39H,4-5,12-1
    5,17-22H2,(H,33,38)(H,32,
    34,35)/t31-/m1/s1;
    YYXDDEFPSYEFQV-WJOKGBTCSA-N    		 O[C@]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(
    =O)c4ccc(CN5CC6(CCC6)C5)cc4; c1ccc(cc1)C
    Nc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc
    4)CN5CC6(C5)CCC6)O; c1ccc(cc1)CNc2cc(ncn
    2)N3CCCC(C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)
    CCC6)O; O[C]1(CCCN(C1)c2cc(NCc3ccccc3)nc
    n2)CNC(=O)c4ccc(CN5CC6(CCC6)C5)cc4    		 (R)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide;
    4-(2-azaspiro[3.3]heptan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
    39288
    UEF    		 3 C12 H15 N3 O S InChI=1S/C12H15N3OS/c1-12
    (2)3-8(4-12)14-11(16)9-6-
    17-10-5-13-7-15(9)10/h5-8
    H,3-4H2,1-2H3,(H,14,16);
    BGTUKELOHMTWLO-UHFFFAOYSA-N    		 CC1(C)CC(C1)NC(=O)c2csc3cncn23; CC1(CC(C
    1)NC(=O)c2csc3n2cnc3)C    		 ~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide
    39289
    UEG
    CHEMBL1364
    DB00165
    ZINC000000049154    		 10 C8 H11 N O3 InChI=1S/C8H11NO3/c1-5-8(
    12)7(4-11)6(3-10)2-9-5/h2
    ,10-12H,3-4H2,1H3;
    LXNHXLLTXMVWPM-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)CO)CO)O; Oc1c(c(cnc1C)CO)CO
    ; Cc1ncc(CO)c(CO)c1O    		 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol
    39290
    UEH    		 1 C34 H45 N7 O4 InChI=1S/C34H45N7O4/c1-33
    (2)11-14-40(15-12-33)20-2
    5-8-9-27(28(42)17-25)32(4
    4)37-21-34(45)10-5-13-41(
    22-34)30-18-29(38-23-39-3
    0)36-19-24-6-4-7-26(16-24
    )31(43)35-3/h4,6-9,16-18,
    23,42,45H,5,10-15,19-22H2
    ,1-3H3,(H,35,43)(H,37,44)
    (H,36,38,39)/t34-/m1/s1;
    HJSOUGSVWHGZMD-UUWRZZSWSA-N    		 CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NCC3(CCCN
    (C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C; C
    C1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(C
    CCN(C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C
    ; CNC(=O)c1cccc(CNc2cc(ncn2)N3CCC[C@@](O
    )(CNC(=O)c4ccc(CN5CCC(C)(C)CC5)cc4O)C3)c
    1; CNC(=O)c1cccc(CNc2cc(ncn2)N3CCC[C](O)
    (CNC(=O)c4ccc(CN5CCC(C)(C)CC5)cc4O)C3)c1    		 (R)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-N-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide;
    4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide
    39291
    UEI
    ZINC000005925366    		 1 C6 H12 O3 InChI=1S/C6H12O3/c1-3-4(2
    )5(7)6(8)9/h4-5,7H,3H2,1-
    2H3,(H,8,9)/t4-,5+/m0/s1;
    RILPIWOPNGRASR-CRCLSJGQSA-N    		 CC[CH](C)[CH](O)C(O)=O; CC[C@H](C)[C@@H]
    (O)C(O)=O; CCC(C)C(C(=O)O)O; CC[C@H](C)[
    C@H](C(=O)O)O    		 (2R,3S)-3-methyl-2-oxidanyl-pentanoic acid;
    (2R,3S)-2-hydroxy-3-methylpentanoic acid
    39292
    UEJ
    CHEMBL5183286    		 2 C33 H25 F N6 O5 S InChI=1S/C33H25FN6O5S/c1-
    17(41)36-26-15-19(12-13-3
    5-26)29-28(38-33(39-29)46
    -2)18-6-5-7-20(14-18)37-3
    0(43)27-23(25(42)11-10-24
    (27)34)16-40-31(44)21-8-3
    -4-9-22(21)32(40)45/h3-15
    ,42H,16H2,1-2H3,(H,37,43)
    (H,38,39)(H,35,36,41);
    HPMLKUVOVSVMID-UHFFFAOYSA-N    		 CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(
    c3)NC(=O)c4c(ccc(c4CN5C(=O)c6ccccc6C5=O)
    O)F; CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3
    cccc(NC(=O)c4c(F)ccc(O)c4CN5C(=O)c6ccccc
    6C5=O)c3; c6ccc5C(=O)N(Cc4c(ccc(F)c4C(=O
    )Nc3cccc(c2c(c1cc(NC(C)=O)ncc1)nc(n2)SC)
    c3)O)C(c5c6)=O    		 N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide
    39293
    UEK
    CHEMBL3357975
    ZINC000263621107    		 1 C29 H30 Cl2 F N3 O3 InChI=1S/C29H30Cl2FN3O3/c
    30-22-6-1-18(2-7-22)11-24
    (33)14-29(38)35-15-21(17-
    36)25(16-35)20-5-10-26(31
    )27(13-20)34-28(37)12-19-
    3-8-23(32)9-4-19/h1-10,13
    ,21,24-25,36H,11-12,14-17
    ,33H2,(H,34,37)/t21-,24-,
    25-/m1/s1;
    UXESSWKATFQQDS-NQHRYMMQSA-N    		 N[CH](CC(=O)N1C[CH](CO)[CH](C1)c2ccc(Cl)
    c(NC(=O)Cc3ccc(F)cc3)c2)Cc4ccc(Cl)cc4; N
    [C@@H](CC(=O)N1C[C@H](CO)[C@H](C1)c2ccc(
    Cl)c(NC(=O)Cc3ccc(F)cc3)c2)Cc4ccc(Cl)cc4
    ; O=C(N3CC(c2ccc(Cl)c(NC(=O)Cc1ccc(F)cc1
    )c2)C(CO)C3)CC(N)Cc4ccc(Cl)cc4; c1cc(ccc
    1CC(CC(=O)N2CC(C(C2)c3ccc(c(c3)NC(=O)Cc4
    ccc(cc4)F)Cl)CO)N)Cl; c1cc(ccc1C[C@H](CC
    (=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)
    Cc4ccc(cc4)F)Cl)CO)N)Cl    		 N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide
    39294
    UEL    		 0 C9 H14 N5 O7 P InChI=1S/C9H14N5O7P/c15-4
    -1-6(21-5(4)2-20-22(17,18
    )19)14-8-7(12-13-14)9(16)
    11-3-10-8/h3-6,9,15-16H,1
    -2H2,(H,10,11)(H2,17,18,1
    9)/t4-,5+,6+,9+/m0/s1;
    JWFOELSSYQQOED-BKIHBWCSSA-N    		 O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2nnc3[C
    H](O)NC=Nc23; O[C@H]1C[C@@H](O[C@@H]1CO[
    P](O)(O)=O)n2nnc3[C@@H](O)NC=Nc23; O=P(O
    )(O)OCC1OC(CC1O)n1nnc2c1N=CNC2O; C1[C@@H
    ]([C@H](O[C@H]1n2c3c(nn2)[C@H](NC=N3)O)C
    OP(=O)(O)O)O; C1C(C(OC1n2c3c(nn2)C(NC=N3
    )O)COP(=O)(O)O)O    		 (7R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
    39295
    UEM    		 2 C27 H27 N5 O5 S InChI=1S/C27H27N5O5S/c28-
    19(27(35)36)10-11-38-13-2
    0-22(33)23(34)26(37-20)32
    -12-17(21-24(29)30-14-31-
    25(21)32)9-8-16-6-3-5-15-
    4-1-2-7-18(15)16/h1-7,12,
    14,19-20,22-23,26,33-34H,
    10-11,13,28H2,(H,35,36)(H
    2,29,30,31)/t19-,20+,22+,
    23+,26+/m0/s1;
    DUHQEPMMBOHBMU-CIPJCTFPSA-N    		 N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1
    O)n2cc(C#Cc3cccc4ccccc34)c5c(N)ncnc25)C(
    O)=O; N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O
    )n2cc(C#Cc3cccc4ccccc34)c5c(N)ncnc25)C(O
    )=O; c1ccc2c(c1)cccc2C#Cc3cn(c4c3c(ncn4)
    N)C5C(C(C(O5)CSCCC(C(=O)O)N)O)O; c1ccc2c
    (c1)cccc2C#Cc3cn(c4c3c(ncn4)N)[C@H]5[C@@
    H]([C@@H]([C@H](O5)CSCC[C@@H](C(=O)O)N)O
    )O    		 (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
    39296
    UEN
    CHEMBL3318806
    ZINC000222800950    		 4 C18 H20 F N5 InChI=1S/C18H20FN5/c19-12
    -8-6-11(7-9-12)14-10-21-1
    6-15(14)17(24-18(20)23-16
    )22-13-4-2-1-3-5-13/h6-10
    ,13H,1-5H2,(H4,20,21,22,2
    3,24);
    QQJUCGSYNBAQMI-UHFFFAOYSA-N    		 c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)
    F; Nc1nc2[nH]cc(c3ccc(F)cc3)c2c(NC4CCCCC
    4)n1; Fc4ccc(c3c1c(nc(nc1NC2CCCCC2)N)nc3
    )cc4    		 N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
    39297
    UEO    		 1 C19 H24 N6 O2 InChI=1S/C19H24N6O2/c1-3-
    18(26)24-9-4-5-15(7-10-24
    )27-19-17-6-8-20-25(17)13
    -16(22-19)14-11-21-23(2)1
    2-14/h6,8,11-13,15H,3-5,7
    ,9-10H2,1-2H3/t15-/m1/s1;
    ZGDYATLTXZZPSE-OAHLLOKOSA-N    		 CCC(=O)N1CCCC(CC1)Oc2c3ccnn3cc(n2)c4cnn(
    c4)C; CCC(=O)N1CCC[C@H](CC1)Oc2c3ccnn3cc
    (n2)c4cnn(c4)C; CCC(=O)N1CCC[CH](CC1)Oc2
    nc(cn3nccc23)c4cnn(C)c4; CCC(=O)N1CCC[C@
    H](CC1)Oc2nc(cn3nccc23)c4cnn(C)c4; CCC(=
    O)N1CCCC(CC1)Oc1nc(cn2nccc12)c1cn(C)nc1    		 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one
    39298
    UEP
    ZINC000058639081    		 4 C11 H17 N2 O9 P InChI=1S/C11H17N2O9P/c1-2
    -5-3-7(14)12-11(17)13(5)1
    0-9(16)8(15)6(22-10)4-21-
    23(18,19)20/h3,6,8-10,15-
    16H,2,4H2,1H3,(H,12,14,17
    )(H2,18,19,20)/t6-,8-,9-,
    10-/m1/s1;
    SVESMKHPINYNGL-PEBGCTIMSA-N    		 O=C1NC(=O)N(C(=C1)CC)C2OC(C(O)C2O)COP(=O
    )(O)O; CCC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([
    C@@H]([C@H](O2)COP(=O)(O)O)O)O; CCC1=CC(
    =O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH]
    (O)[CH]2O; CCC1=CC(=O)NC(=O)N1[C@@H]2O[C
    @H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O; CCC1
    =CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)
    O    		 6-ethyluridine 5'-phosphate;
    6-ethyl-UMP
    39299
    UEQ    		 1 C34 H42 N6 O2 InChI=1S/C34H42N6O2/c41-3
    2(28-10-8-26(9-11-28)20-4
    0-22-33(14-4-15-33)31(40)
    27-12-13-27)36-21-34(42)1
    6-5-17-39(23-34)30-18-29(
    37-24-38-30)35-19-25-6-2-
    1-3-7-25/h1-3,6-11,18,24,
    27,31,42H,4-5,12-17,19-23
    H2,(H,36,41)(H,35,37,38)/
    t31-,34-/m1/s1;
    OWDBESCKAVDZRB-QIKUIUABSA-N    		 c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(
    =O)c4ccc(cc4)CN5CC6([C@H]5C7CC7)CCC6)O;
    O[C@]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(
    =O)c4ccc(CN5CC6(CCC6)[C@H]5C7CC7)cc4; c1
    ccc(cc1)CNc2cc(ncn2)N3CCCC(C3)(CNC(=O)c4
    ccc(cc4)CN5CC6(C5C7CC7)CCC6)O; O[C]1(CCC
    N(C1)c2cc(NCc3ccccc3)ncn2)CNC(=O)c4ccc(C
    N5CC6(CCC6)[CH]5C7CC7)cc4    		 4-[[(3R)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;
    4-[[(3~{R})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
    39300
    UER
    CHEMBL4446343    		 9 C21 H23 Cl F3 N3 O3 S InChI=1S/C21H23ClF3N3O3S/
    c1-20(2,32(30,31)18-8-5-1
    6(13-26-18)21(23,24)25)19
    (29)28-11-9-27(10-12-28)1
    4-15-3-6-17(22)7-4-15/h3-
    8,13H,9-12,14H2,1-2H3;
    MFQQEGNFXSEGTC-UHFFFAOYSA-N    		 CC(C)(C(=O)N1CCN(CC1)Cc2ccc(Cl)cc2)[S](=
    O)(=O)c3ccc(cn3)C(F)(F)F; FC(F)(F)c1ccc(
    nc1)S(=O)(=O)C(C)(C)C(=O)N1CCN(Cc2ccc(Cl
    )cc2)CC1; CC(C)(C(=O)N1CCN(CC1)Cc2ccc(cc
    2)Cl)S(=O)(=O)c3ccc(cn3)C(F)(F)F    		 1-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-methyl-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propan-1-one
    39301
    UES    		 2 C24 H26 N6 InChI=1S/C24H26N6/c1-29-1
    1-9-18(10-12-29)17-5-7-22
    (8-6-17)27-24-25-14-20-4-
    3-19(13-23(20)28-24)21-15
    -26-30(2)16-21/h3-8,13-16
    ,18H,9-12H2,1-2H3,(H,25,2
    7,28);
    VCCYOHCOICDUFL-UHFFFAOYSA-N    		 Cn1cc(cn1)c2ccc3cnc(nc3c2)Nc4ccc(cc4)C5C
    CN(CC5)C; CN1CCC(CC1)c2ccc(Nc3ncc4ccc(cc
    4n3)c5cnn(C)c5)cc2    		 ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine
    39302
    UET
    CHEMBL3608989
    ZINC000003818000    		 1 C26 H29 N5 O4 S InChI=1S/C26H29N5O4S/c27-
    25(28)22-13-11-20(12-14-2
    2)16-29-24(32)17-30-26(33
    )23(15-19-7-3-1-4-8-19)31
    -36(34,35)18-21-9-5-2-6-1
    0-21/h1-14,23,31H,15-18H2
    ,(H3,27,28)(H,29,32)(H,30
    ,33)/t23-/m1/s1;
    BHPZMFXUQRHXSO-HSZRJFAPSA-N    		 c1ccc(cc1)C[C@H](C(=O)NCC(=O)NCc2ccc(cc2
    )C(=N)N)NS(=O)(=O)Cc3ccccc3; NC(=N)c1ccc
    (CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)N[S](=O)
    (=O)Cc3ccccc3)cc1; O=S(=O)(NC(C(=O)NCC(=
    O)NCc1ccc(C(=[N@H])N)cc1)Cc2ccccc2)Cc3cc
    ccc3; c1ccc(cc1)CC(C(=O)NCC(=O)NCc2ccc(c
    c2)C(=N)N)NS(=O)(=O)Cc3ccccc3; NC(=N)c1c
    cc(CNC(=O)CNC(=O)[CH](Cc2ccccc2)N[S](=O)
    (=O)Cc3ccccc3)cc1    		 N-(BENZYLSULFONYL)-D-PHENYLALANYL-N-(4-CARBAMIMIDOYLBENZYL)GLYCINAMIDE
    39303
    UEU    		 1 C28 H27 F2 N3 O2 InChI=1S/C28H27F2N3O2/c1-
    28(2,35)14-17-3-7-23(26(3
    0)11-17)22-8-6-19(27(34)3
    3-10-9-21(32)16-33)12-24(
    22)18-4-5-20(15-31)25(29)
    13-18/h3-8,11-13,21,35H,9
    -10,14,16,32H2,1-2H3/t21-
    /m1/s1;
    SADVGAWKLORBLA-OAQYLSRUSA-N    		 CC(C)(O)Cc1ccc(c(F)c1)c2ccc(cc2c3ccc(C#N
    )c(F)c3)C(=O)N4CC[CH](N)C4; CC(C)(O)Cc1c
    cc(c(F)c1)c2ccc(cc2c3ccc(C#N)c(F)c3)C(=O
    )N4CC[C@@H](N)C4; CC(C)(Cc1ccc(c(c1)F)c2
    ccc(cc2c3ccc(c(c3)F)C#N)C(=O)N4CCC(C4)N)
    O; CC(C)(Cc1ccc(c(c1)F)c2ccc(cc2c3ccc(c(
    c3)F)C#N)C(=O)N4CC[C@H](C4)N)O    		 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile
    39304
    UEV    		 1 C6 H19 O27 P7 InChI=1S/C6H19O27P7/c7-34
    (8,9)27-1-2(28-35(10,11)1
    2)4(30-37(16,17)18)6(32-4
    0(25,26)33-39(22,23)24)5(
    31-38(19,20)21)3(1)29-36(
    13,14)15/h1-6H,(H,25,26)(
    H2,7,8,9)(H2,10,11,12)(H2
    ,13,14,15)(H2,16,17,18)(H
    2,19,20,21)(H2,22,23,24)/
    t1-,2-,3+,4+,5-,6+;
    UPHPWXPNZIOZJL-QWBQGLJISA-N    		 O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](
    O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=
    O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O; C
    1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)
    (O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=
    O)(O)O; [C@H]1([C@H](C([C@H]([C@@H](C1OP
    (=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)
    OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O; O[P](O
    )(=O)O[C@H]1[C@H](O[P](O)(O)=O)[C@@H](O[
    P](O)(O)=O)[C@@H](O[P](O)(=O)O[P](O)(O)=
    O)[C@@H](O[P](O)(O)=O)[C@@H]1O[P](O)(O)=
    O; C1(C(C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=
    O)(O)OP(O)(=O)O)C1OP(=O)(O)O)OP(O)(O)=O)
    OP(=O)(O)O    		 (1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
    39305
    UEW    		 1 C34 H44 N6 O2 InChI=1S/C34H44N6O2/c1-25
    (2)31-33(14-6-15-33)22-40
    (31)20-27-10-12-28(13-11-
    27)32(41)36-21-34(42)16-7
    -17-39(23-34)30-18-29(37-
    24-38-30)35-19-26-8-4-3-5
    -9-26/h3-5,8-13,18,24-25,
    31,42H,6-7,14-17,19-23H2,
    1-2H3,(H,36,41)(H,35,37,3
    8)/t31-,34+/m0/s1;
    HVTLFMVGWJQMMA-AFPLUKJUSA-N    		 CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(cc3)C(=O)NC
    [C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O; C
    C(C)[CH]1N(Cc2ccc(cc2)C(=O)NC[C]3(O)CCCN
    (C3)c4cc(NCc5ccccc5)ncn4)CC16CCC6; CC(C)
    [C@@H]1N(Cc2ccc(cc2)C(=O)NC[C@]3(O)CCCN(
    C3)c4cc(NCc5ccccc5)ncn4)CC16CCC6; CC(C)C
    1C2(CCC2)CN1Cc3ccc(cc3)C(=O)NCC4(CCCN(C4
    )c5cc(ncn5)NCc6ccccc6)O    		 N-(((R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((S)-1-isopropyl-2-azaspiro[3.3]heptan-2-yl)methyl)benzamide;
    ~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]-4-[[(3~{S})-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
    39306
    UEX    		 1 C25 H23 Cl N6 O3 InChI=1S/C25H23ClN6O3/c1-
    13-8-17(14(2)28-19-4-5-20
    (26)29-22(19)24(34)35)21-
    18(9-13)23(33)31(3)25(30-
    21)32-11-15-6-7-27-10-16(
    15)12-32/h4-10,14,28H,11-
    12H2,1-3H3,(H,34,35)/t14-
    /m1/s1;
    NTAJKWXFTUHESI-CQSZACIVSA-N    		 Cc1cc2c(c(c1)[C@@H](C)Nc3ccc(nc3C(=O)O)C
    l)N=C(N(C2=O)C)N4Cc5ccncc5C4; C[C@@H](Nc
    1ccc(Cl)nc1C(O)=O)c2cc(C)cc3C(=O)N(C)C(=
    Nc23)N4Cc5ccncc5C4; C[CH](Nc1ccc(Cl)nc1C
    (O)=O)c2cc(C)cc3C(=O)N(C)C(=Nc23)N4Cc5cc
    ncc5C4; Cc1cc2c(c(c1)C(C)Nc3ccc(nc3C(=O)
    O)Cl)N=C(N(C2=O)C)N4Cc5ccncc5C4    		 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
    39307
    UEY
    CHEMBL4761170    		 2 C19 H17 N5 InChI=1S/C19H17N5/c20-17-
    12-16(18-19(21-17)23-24-2
    2-18)15(14-9-5-2-6-10-14)
    11-13-7-3-1-4-8-13/h1-10,
    12,15H,11H2,(H3,20,21,22,
    23,24)/t15-/m1/s1;
    PCFOKFFOSYNQNP-OAHLLOKOSA-N    		 Nc1cc([C@H](Cc2ccccc2)c3ccccc3)c4nn[nH]c
    4n1; c4cccc(CC(c2cc(nc1c2nnn1)N)c3ccccc3
    )c4; c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c
    3nn[nH]4)N; Nc1cc([CH](Cc2ccccc2)c3ccccc
    3)c4nn[nH]c4n1; c1ccc(cc1)CC(c2ccccc2)c3
    cc(nc4c3nn[nH]4)N    		 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
    39308
    UEZ    		 1 C35 H44 N6 O InChI=1S/C35H44N6O/c1-34(
    2)15-18-40(19-16-34)23-28
    -12-13-30-29(20-28)10-6-1
    1-31(30)37-24-35(42)14-7-
    17-41(25-35)33-21-32(38-2
    6-39-33)36-22-27-8-4-3-5-
    9-27/h3-6,8-13,20-21,26,3
    7,42H,7,14-19,22-25H2,1-2
    H3,(H,36,38,39)/t35-/m1/s
    1;
    JOOQNDNGGGWANB-PGUFJCEWSA-N    		 CC1(C)CCN(CC1)Cc2ccc3c(NC[C]4(O)CCCN(C4)
    c5cc(NCc6ccccc6)ncn5)cccc3c2; CC1(CCN(CC
    1)Cc2ccc3c(c2)cccc3NC[C@@]4(CCCN(C4)c5cc
    (ncn5)NCc6ccccc6)O)C; CC1(C)CCN(CC1)Cc2c
    cc3c(NC[C@]4(O)CCCN(C4)c5cc(NCc6ccccc6)n
    cn5)cccc3c2; CC1(CCN(CC1)Cc2ccc3c(c2)ccc
    c3NCC4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C    		 (R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-yl)methyl)naphthalen-1-yl)amino)methyl)piperidin-3-ol;
    (3~{R})-3-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]naphthalen-1-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol
    39309
    UF0
    ZINC000098209495    		 0 C16 H31 N4 O11 P InChI=1S/C16H31N4O11P/c1-
    16(2,9-31-32(28,29)30-8-1
    0(17)15(26)27)13(24)14(25
    )20-4-3-11(22)18-5-6-19-1
    2(23)7-21/h10,13,21,24H,3
    -9,17H2,1-2H3,(H,18,22)(H
    ,19,23)(H,20,25)(H,26,27)
    (H,28,29)/t10-,13-/m0/s1;
    BKLLNZDPEYUPTK-GWCFXTLKSA-N    		 CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O
    )C(=O)NCCC(=O)NCCNC(=O)CO; CC(C)(COP(=O)
    (O)OCC(C(=O)O)N)C(C(=O)NCCC(=O)NCCNC(=O)
    CO)O; CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)
    O)N)[C@H](C(=O)NCCC(=O)NCCNC(=O)CO)O; CC
    (C)(CO[P](O)(=O)OC[C@H](N)C(O)=O)[C@@H](
    O)C(=O)NCCC(=O)NCCNC(=O)CO    		 O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine
    39310
    UF2
    CHEMBL403945
    ZINC000029043591    		 0 C9 H12 F N2 O8 P InChI=1S/C9H12FN2O8P/c10-
    6-7(14)4(3-19-21(16,17)18
    )20-8(6)12-2-1-5(13)11-9(
    12)15/h1-2,4,6-8,14H,3H2,
    (H,11,13,15)(H2,16,17,18)
    /t4-,6+,7-,8-/m1/s1;
    RTGGYPQTXNSBPD-PXBUCIJWSA-N    		 O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2
    C=CC(=O)NC2=O; O=P(O)(O)OCC2OC(N1C(=O)NC
    (=O)C=C1)C(F)C2O; C1=CN(C(=O)NC1=O)C2C(C
    (C(O2)COP(=O)(O)O)O)F; C1=CN(C(=O)NC1=O)
    [C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)
    O)F; O[C@H]1[C@H](F)[C@@H](O[C@@H]1CO[P]
    (O)(O)=O)N2C=CC(=O)NC2=O    		 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione;
    2'-fluoro-2'-deoxyuridine
    39311
    UF3    		 1 C11 H6 Cl N3 O2 InChI=1S/C11H6ClN3O2/c12-
    5-1-2-7-6(3-5)9-8(4-13-7)
    14-10(16)11(17)15-9/h1-4H
    ,(H,14,16)(H,15,17);
    LKHRQOBJACQEBJ-UHFFFAOYSA-N    		 Clc1ccc2ncc3NC(=O)C(=O)Nc3c2c1; c1cc2c(c
    c1Cl)c3c(cn2)NC(=O)C(=O)N3    		 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione
    39312
    UF4    		 1 C26 H25 N5 O3 InChI=1S/C26H25N5O3/c1-26
    (2,27)9-8-17-10-20-25(29-
    12-17)31(16-30-20)14-18-4
    -6-21-22(11-18)33-15-23(3
    4-21)19-5-7-24(32-3)28-13
    -19/h4-7,10-13,16,23H,14-
    15,27H2,1-3H3/t23-/m1/s1;
    DRBFONOVLOXKJM-HSZRJFAPSA-N    		 CC(C)(C#Cc1cc2c(nc1)n(cn2)Cc3ccc4c(c3)OC
    C(O4)c5ccc(nc5)OC)N; COc1ccc(cn1)[C@H]2C
    Oc3cc(Cn4cnc5cc(cnc45)C#CC(C)(C)N)ccc3O2
    ; COc1ccc(cn1)[CH]2COc3cc(Cn4cnc5cc(cnc4
    5)C#CC(C)(C)N)ccc3O2; CC(C)(C#Cc1cc2c(nc
    1)n(cn2)Cc3ccc4c(c3)OC[C@@H](O4)c5ccc(nc
    5)OC)N; CC(N)(C#Cc1cnc2n(cnc2c1)Cc3cc4c(
    cc3)OC(CO4)c5cnc(cc5)OC)C    		 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine
    39313
    UF5    		 5 C8 H9 Cl N2 O2 S2 InChI=1S/C8H9ClN2O2S2/c9-
    7-3-6-8(14-7)15(12,13)10-
    4-11(6)5-1-2-5/h3,5,10H,1
    -2,4H2;
    PJOUJJTUKBFKPV-UHFFFAOYSA-N    		 Clc1sc2c(c1)N(CN[S]2(=O)=O)C3CC3; c1c2c(
    sc1Cl)S(=O)(=O)NCN2C3CC3    		 6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide
    39314
    UF6    		 2 C23 H32 N4 O6 InChI=1S/C23H32N4O6/c28-1
    5-20-22(30)23(31)21(29)14
    -26(20)10-4-2-1-3-7-25-18
    -11-17(12-19(13-18)27(32)
    33)16-5-8-24-9-6-16/h5-6,
    8-9,11-13,20-23,25,28-31H
    ,1-4,7,10,14-15H2/t20-,21
    +,22-,23-/m0/s1;
    MVGXUAWNTZOMGP-BJESRGMDSA-N    		 c1cnccc1c2cc(cc(c2)[N+](=O)[O-])NCCCCCCN
    3CC(C(C(C3CO)O)O)O; c1cnccc1c2cc(cc(c2)[
    N+](=O)[O-])NCCCCCCN3C[C@H]([C@@H]([C@H]
    ([C@@H]3CO)O)O)O; [O-][N+](=O)c1cc(cc(c1
    )NCCCCCCN1CC(O)C(O)C(O)C1CO)c1ccncc1; OC
    [CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2cc
    (cc(c2)[N+]([O-])=O)c3ccncc3; OC[C@H]1[C
    @H](O)[C@@H](O)[C@H](O)CN1CCCCCCNc2cc(cc
    (c2)[N+]([O-])=O)c3ccncc3    		 (2S,3S,4S,5R)-2-(hydroxymethyl)-1-{6-[3-nitro-5-(pyridin-4-yl)anilino]hexyl}piperidine-3,4,5-triol
    39315
    UF7
    CHEMBL4747269    		 3 C29 H28 N6 InChI=1S/C29H28N6/c30-27-
    18-25(28-29(32-27)34-35-3
    3-28)21(19-9-3-1-4-10-19)
    15-16-31-26-17-24(20-11-5
    -2-6-12-20)22-13-7-8-14-2
    3(22)26/h1-14,18,21,24,26
    ,31H,15-17H2,(H3,30,32,33
    ,34,35)/t21-,24+,26+/m1/s
    1;
    PUZMDZNRNPQCRQ-DSBYRVASSA-N    		 c1ccc(cc1)C2CC(c3c2cccc3)NCCC(c4ccccc4)c
    5cc(nc6c5nn[nH]6)N; C3C(c1ccccc1)c2ccccc
    2C3NCCC(c4ccccc4)c5cc(N)nc6c5nnn6; Nc1cc
    ([CH](CCN[CH]2C[CH](c3ccccc3)c4ccccc24)c
    5ccccc5)c6nn[nH]c6n1; c1ccc(cc1)[C@@H]2C
    [C@@H](c3c2cccc3)NCC[C@H](c4ccccc4)c5cc(
    nc6c5nn[nH]6)N; Nc1cc([C@H](CCN[C@H]2C[C
    @@H](c3ccccc3)c4ccccc24)c5ccccc5)c6nn[nH
    ]c6n1    		 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
    39316
    UF8
    CHEMBL222102
    ZINC000003817388    		 2 C21 H17 N O3 S2 InChI=1S/C21H17NO3S2/c23-
    14-12-16(25-20(13-14)22-8
    -10-24-11-9-22)15-4-3-7-1
    9-21(15)27-18-6-2-1-5-17(
    18)26-19/h1-7,12-13H,8-11
    H2;
    XRKYMMUGXMWDAO-UHFFFAOYSA-N    		 c1ccc2c(c1)Sc3cccc(c3S2)C4=CC(=O)C=C(O4)
    N5CCOCC5; O=C1C=C(OC(=C1)c2cccc3Sc4ccccc
    4Sc23)N5CCOCC5    		 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one;
    2-morpholino-6-(thianthren-1-yl)-4H-pyran-4-one
    39317
    UF9    		 3 C23 H25 N5 O5 S InChI=1S/C23H25N5O5S/c24-
    15(23(31)32)8-9-34-11-16-
    18(29)19(30)22(33-16)28-1
    0-14(7-6-13-4-2-1-3-5-13)
    17-20(25)26-12-27-21(17)2
    8/h1-5,10,12,15-16,18-19,
    22,29-30H,8-9,11,24H2,(H,
    31,32)(H2,25,26,27)/t15-,
    16+,18+,19+,22+/m0/s1;
    ARBIWWNISHROOL-XVZIYINBSA-N    		 c1ccc(cc1)C#Cc2cn(c3c2c(ncn3)N)C4C(C(C(O
    4)CSCCC(C(=O)O)N)O)O; N[CH](CCSC[CH]1O[C
    H]([CH](O)[CH]1O)n2cc(C#Cc3ccccc3)c4c(N)
    ncnc24)C(O)=O; c1ccc(cc1)C#Cc2cn(c3c2c(n
    cn3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCC[
    C@@H](C(=O)O)N)O)O; N[C@@H](CCSC[C@H]1O[
    C@H]([C@H](O)[C@@H]1O)n2cc(C#Cc3ccccc3)c
    4c(N)ncnc24)C(O)=O    		 (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
    39318
    UFA
    CHEMBL4763667    		 4 C26 H30 N6 InChI=1S/C26H30N6/c27-24-
    17-23(25-26(29-24)31-32-3
    0-25)22(20-9-5-2-6-10-20)
    15-16-28-21-13-11-19(12-1
    4-21)18-7-3-1-4-8-18/h1-1
    0,17,19,21-22,28H,11-16H2
    ,(H3,27,29,30,31,32)/t19-
    ,21-,22-/m1/s1;
    NHADCFXDVDQVFZ-CEMLEFRQSA-N    		 Nc1cc([CH](CCN[CH]2CC[CH](CC2)c3ccccc3)c
    4ccccc4)c5nn[nH]c5n1; c1ccc(cc1)C(c3cc(n
    c2c3nnn2)N)CCNC4CCC(CC4)c5ccccc5; c1ccc(
    cc1)C2CCC(CC2)NCCC(c3ccccc3)c4cc(nc5c4nn
    [nH]5)N; c1ccc(cc1)C2CCC(CC2)NCC[C@H](c3
    ccccc3)c4cc(nc5c4nn[nH]5)N; Nc1cc([C@H](
    CCN[C@H]2CC[C@@H](CC2)c3ccccc3)c4ccccc4)
    c5nn[nH]c5n1    		 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
    39319
    UFB    		 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-JIOCBJNQSA-N    		 CO[C]1(CO[P](O)(O)=O)O[CH]([CH](F)[CH]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
    ; CO[C@@]1(CO[P](O)(O)=O)O[C@H]([C@H](F)
    [C@@H]1O)N2C=CC(=O)NC2=O; C1(C(F)C(O)C(O
    1)(COP(O)(=O)O)OC)N2C(=O)NC(C=C2)=O; COC
    1(C(C(C(O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O
    )O    		 2'-F,4'-beta-OMe Uridine 5'-(dihydrogen phosphate)
    39320
    UFD    		 2 C28 H32 N6 InChI=1S/C28H32N6/c29-24-
    19-23(25-26(31-24)33-34-3
    2-25)22(20-7-3-1-4-8-20)1
    1-18-30-28-15-12-27(13-16
    -28,14-17-28)21-9-5-2-6-1
    0-21/h1-10,19,22,30H,11-1
    8H2,(H3,29,31,32,33,34)/t
    22-,27-,28+/m1/s1;
    XBWRTBUYSVKILQ-OFEZKSIWSA-N    		 Nc1cc([C@H](CCNC23CCC(CC2)(CC3)c4ccccc4)
    c5ccccc5)c6nn[nH]c6n1; c1cccc(c1)C(c3cc(
    nc2nnnc23)N)CCNC64CCC(CC4)(c5ccccc5)CC6;
    c1ccc(cc1)C(CCNC23CCC(CC2)(CC3)c4ccccc4
    )c5cc(nc6c5nn[nH]6)N; Nc1cc([CH](CCNC23C
    CC(CC2)(CC3)c4ccccc4)c5ccccc5)c6nn[nH]c6
    n1; c1ccc(cc1)[C@@H](CCNC23CCC(CC2)(CC3)
    c4ccccc4)c5cc(nc6c5nn[nH]6)N    		 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
    39321
    UFE    		 1 C40 H36 Fe N4 O16 InChI=1S/C40H38N4O16.Fe/c
    45-33(46)5-1-17-21(9-37(5
    3)54)29-14-27-19(3-7-35(4
    9)50)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)13-2
    5(17)41-29;/h13-16H,1-12H
    2,(H10,41,42,43,44,45,46,
    47,48,49,50,51,52,53,54,5
    5,56,57,58,59,60);/q;+2/p
    -2/b25-13-,26-13-,27-14-,
    28-15-,29-14-,30-15-,31-1
    6-,32-16-;;
    UABKTZYUFZQVBH-RGGAHWMASA-L    		 C1=C2C(=C(C3=[N]2[Fe]45n6c1c(c(c6C=C7[N]
    4=C(C=C8N5C(=C3)C(=C8CCC(=O)O)CC(=O)O)C(
    =C7CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC
    (=O)O)CC(=O)O; O=C(O)CCC1=C(C2=Cc4c(c(c3
    C=C5C(=C(C=6C=C8C(=C(C7=CC1=N2[Fe](n34)(
    N5=6)N78)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O
    )O)CC(=O)O)CCC(=O)O)CC(=O)O; OC(=O)CCC1=
    C(CC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=
    CC8=N|6C(=Cc4c(CCC(O)=O)c3CC(O)=O)C(=C8C
    CC(O)=O)CC(O)=O)c(CC(O)=O)c7CCC(O)=O    		 Fe(III) Uroporphyrin
    39322
    UFF    		 8 Fe7 S7 InChI=1S/7Fe.HS.6S/h;;;;;
    ;;1H;;;;;;;
    PVYXUKKSKYTPFX-UHFFFAOYSA-N    		 S1[Fe]2S[Fe]3[S]2[Fe]1[S]345[Fe]6[S]7[Fe
    ]4[S]8[Fe]7[S]6[Fe]58; S1[Fe]S[Fe](S[Fe]
    1)[S]23[Fe]S[Fe]S[Fe]2S[Fe]3    		 FE(7)-S(7) CLUSTER
    39323
    UFG
    CHEMBL593125
    DB04097
    ZINC000016051558    		 6 C15 H23 F N2 O16 P2 InChI=1S/C15H23FN2O16P2/c
    16-8-5(3-19)32-14(12(24)1
    0(8)22)33-36(28,29)34-35(
    26,27)30-4-6-9(21)11(23)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;
    OAPPZHVTNHJVAL-JZMIEXBBSA-N    		 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP
    (=O)(O)OC3C(C(C(C(O3)CO)F)O)O)O)O; O=P(O
    C1OC(C(F)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N
    2C=CC(=O)NC2=O)C(O)C3O; 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](O
    )[C@@H](O)[C@@H]1F; OC[CH]1O[CH](O[P](O)
    (=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2
    O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1F;
    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)F)O)O)O
    )O    		 URIDINE-5'-DIPHOSPHATE-4-DEOXY-4-FLUORO-ALPHA-D-GALACTOSE
    39324
    UFH    		 1 C10 H7 Br N2 O InChI=1S/C10H7BrN2O/c11-1
    0-5-9(2-1-8(10)6-14)13-4-
    3-12-7-13/h1-7H;
    KDYPLUPJLQBYJO-UHFFFAOYSA-N    		 c1cc(c(cc1n2ccnc2)Br)C=O; Brc1cc(ccc1C=O
    )n2ccnc2    		 2-bromanyl-4-imidazol-1-yl-benzaldehyde
    39325
    UFI    		 2 C13 H9 N O4 InChI=1S/C13H9NO4/c1-18-1
    0-6-5-9-11-7(10)3-2-4-8(1
    1)12(15)14(17)13(9)16/h2-
    6,17H,1H3;
    JNZJPCRGQNFNFC-UHFFFAOYSA-N    		 COc1ccc2c3c1cccc3C(=O)N(C2=O)O; COc1ccc2
    C(=O)N(O)C(=O)c3cccc1c23    		 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione
    39326
    UFJ
    CHEMBL1091578
    ZINC000049073018    		 4 C14 H19 I N2 O3 InChI=1S/C14H19IN2O3/c15-
    11-7-9-12(10-8-11)16-13(1
    8)5-3-1-2-4-6-14(19)17-20
    /h7-10,20H,1-6H2,(H,16,18
    )(H,17,19);
    BYVHZKAHBXINPL-UHFFFAOYSA-N    		 c1c(ccc(c1)NC(CCCCCCC(=O)NO)=O)I; c1cc(c
    cc1NC(=O)CCCCCCC(=O)NO)I; ONC(=O)CCCCCCC
    (=O)Nc1ccc(I)cc1    		 N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide
    39327
    UFK
    CHEMBL540956    		 2 C45 H36 O18 InChI=1S/C45H36O18/c46-18
    -10-27(54)33-31(11-18)62-
    45(17-3-6-22(49)26(53)9-1
    7)44(59)38(33)36-32(63-45
    )14-29(56)35-37(39(58)41(
    61-43(35)36)16-2-5-21(48)
    25(52)8-16)34-28(55)13-23
    (50)19-12-30(57)40(60-42(
    19)34)15-1-4-20(47)24(51)
    7-15/h1-11,13-14,30,37-41
    ,44,46-59H,12H2/t30-,37+,
    38-,39-,40-,41-,44-,45+/m
    1/s1;
    BYSRPHRKESMCPO-LQNPQWRQSA-N    		 c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[
    C@H]4c5c(cc6c(c5O[C@@H]([C@@H]4O)c7ccc(c
    (c7)O)O)[C@H]8c9c(cc(cc9O[C@]([C@@H]8O)(
    O6)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O; O[CH]
    1Cc2c(O)cc(O)c([CH]3[CH](O)[CH](Oc4c3c(O
    )cc5O[C]6(Oc7cc(O)cc(O)c7[CH]([CH]6O)c45
    )c8ccc(O)c(O)c8)c9ccc(O)c(O)c9)c2O[CH]1c
    %10ccc(O)c(O)c%10; O[C@@H]1Cc2c(O)cc(O)c
    ([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc5O[C@@
    ]6(Oc7cc(O)cc(O)c7[C@@H]([C@H]6O)c45)c8c
    cc(O)c(O)c8)c9ccc(O)c(O)c9)c2O[C@@H]1c%1
    0ccc(O)c(O)c%10; c1cc(c(cc1C2C(Cc3c(cc(c
    (c3O2)C4c5c(cc6c(c5OC(C4O)c7ccc(c(c7)O)O
    )C8c9c(cc(cc9OC(C8O)(O6)c1ccc(c(c1)O)O)O
    )O)O)O)O)O)O)O    		 Cinnamtannin B1;
    (1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
    39328
    UFM
    CHEMBL227711
    DB02421    		 1 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-NYYOCOOHSA-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](O)[C@@H](O)[C@@H]1O; 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;
    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)[C
    H](O)[CH](O)[CH]1O; O=P(OC1OC(C(O)C(O)C1
    O)CO)(O)OP(=O)(O)OCC3OC(N2C=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)O)O
    )O    		 URIDINE-5'-DIPHOSPHATE-MANNOSE
    39329
    UFN    		 1 C45 H38 O18 InChI=1S/C45H38O18/c46-18
    -10-27(54)33-31(11-18)62-
    45(17-3-6-22(49)26(53)9-1
    7)44(59)38(33)36-32(63-45
    )14-29(56)35-37(39(58)41(
    61-43(35)36)16-2-5-21(48)
    25(52)8-16)34-28(55)13-23
    (50)19-12-30(57)40(60-42(
    19)34)15-1-4-20(47)24(51)
    7-15/h1-11,13,29-30,37-41
    ,44,46-59H,12,14H2/t29-,3
    0+,37-,38+,39+,40+,41+,44
    +,45-/m0/s1;
    GTLDPRJUMQNNPF-PUHQMIONSA-N    		 c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[
    C@@H]4[C@H]([C@H](OC5=C4[C@H](CC6=C5[C@H
    ]7c8c(cc(cc8O[C@]([C@@H]7O)(O6)c9ccc(c(c
    9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O;
    c1cc(c(cc1C2C(Cc3c(cc(c(c3O2)C4C(C(OC5=C
    4C(CC6=C5C7c8c(cc(cc8OC(C7O)(O6)c9ccc(c(
    c9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O;
    O[CH]1Cc2c(O)cc(O)c([CH]3[CH](O)[CH](OC
    4=C3[CH](O)CC5=C4[CH]6[CH](O)[C](O5)(Oc7
    cc(O)cc(O)c67)c8ccc(O)c(O)c8)c9ccc(O)c(O
    )c9)c2O[CH]1c%10ccc(O)c(O)c%10; O[C@@H]1
    Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](OC4=
    C3[C@@H](O)CC5=C4[C@@H]6[C@@H](O)[C@](O5
    )(Oc7cc(O)cc(O)c67)c8ccc(O)c(O)c8)c9ccc(
    O)c(O)c9)c2O[C@@H]1c%10ccc(O)c(O)c%10    		 Modified form of Cinnamtannin B1 with sp3 hybridized C5';
    Cca6
    39330
    UFO
    DB08685
    ZINC000004200686    		 4 C11 H17 N3 InChI=1S/C11H17N3/c1-13-5
    -6-14(2)11-7-9(8-12)3-4-1
    0(11)13/h3-4,7H,5-6,8,12H
    2,1-2H3;
    TWGYATHIWDUKGY-UHFFFAOYSA-N    		 CN1CCN(c2c1ccc(c2)CN)C; CN1CCN(C)c2cc(CN
    )ccc12; c2c(cc1c(N(CCN1C)C)c2)CN    		 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine
    39331
    UFP
    CHEMBL886
    DB03761
    ZINC000003875881    		 228 C9 H12 F N2 O8 P InChI=1S/C9H12FN2O8P/c10-
    4-2-12(9(15)11-8(4)14)7-1
    -5(13)6(20-7)3-19-21(16,1
    7)18/h2,5-7,13H,1,3H2,(H,
    11,14,15)(H2,16,17,18)/t5
    -,6+,7+/m0/s1;
    HFEKDTCAMMOLQP-RRKCRQDMSA-N    		 C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)
    O; C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=
    O)F)COP(=O)(O)O)O; O[CH]1C[CH](O[CH]1CO[
    P](O)(O)=O)N2C=C(F)C(=O)NC2=O; FC=1C(=O)
    NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O; O[C
    @H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C(
    F)C(=O)NC2=O    		 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
    39332
    UFQ    		 4 C9 H16 N3 O13 P3 S InChI=1S/C9H16N3O13P3S/c1
    0-5-1-2-12(9(15)11-5)8-7(
    14)6(13)4(23-8)3-22-26(16
    ,17)24-27(18,19)25-28(20,
    21)29/h1-2,4,6-8,13-14H,3
    H2,(H,16,17)(H,18,19)(H2,
    10,11,15)(H2,20,21,29)/t4
    -,6-,7-,8-/m1/s1;
    BMMOFBYKCSBIJP-XVFCMESISA-N    		 NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(
    =O)O[P](O)(=O)O[P](O)(S)=O)[C@@H](O)[C@H
    ]2O; NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O
    )(=O)O[P](O)(=O)O[P](O)(S)=O)[CH](O)[CH]
    2O; C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(
    O)OP(=O)(O)OP(=O)(O)S)O)O; C1=CN(C(=O)N=
    C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)
    (O)OP(=O)(O)OP(=O)(O)S)O)O    		 Cytosine 5'-[gamma-thio]triphosphate;
    [[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
    39333
    UFR
    CHEMBL1236552    		 0 C10 H13 N2 O9 P InChI=1S/C10H13N2O9P/c13-
    3-5-2-12(10(16)11-9(5)15)
    8-1-6(14)7(21-8)4-20-22(1
    7,18)19/h2-3,6-8,14H,1,4H
    2,(H,11,15,16)(H2,17,18,1
    9)/t6-,7+,8+/m0/s1;
    LVYWYEBCBRVIEG-XLPZGREQSA-N    		 O=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=
    O)(O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(
    O)=O)N2C=C(C=O)C(=O)NC2=O; C1[C@@H]([C@H
    ](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)
    O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C
    =C(C=O)C(=O)NC2=O; C1C(C(OC1N2C=C(C(=O)N
    C2=O)C=O)COP(=O)(O)O)O    		 2'-DEOXY-5-FORMYLURIDINE 5'-(DIHYDROGEN PHOSPHATE)
    39334
    UFS
    ZINC000071746269    		 1 C27 H31 N3 O5 InChI=1S/C27H31N3O5/c1-2-
    3-6-9-24(31)28-22-16-12-2
    0(13-17-22)27(34)21-14-18
    -23(19-15-21)29-25(32)10-
    7-4-5-8-11-26(33)30-35/h1
    ,12-19,35H,3-11H2,(H,28,3
    1)(H,29,32)(H,30,33);
    VHTATGLVGGHVIS-UHFFFAOYSA-N    		 C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC(
    =O)CCCCCCC(=O)NO; c1cc(NC(CCCCCCC(NO)=O)
    =O)ccc1C(c2ccc(cc2)NC(CCCC#C)=O)=O; ONC(
    =O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(NC(=
    O)CCCC#C)cc2    		 N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide
    39335
    UFT
    CHEMBL253539
    ZINC000013604346    		 5 C9 H12 F N2 O8 P InChI=1S/C9H12FN2O8P/c10-
    6-7(14)4(3-19-21(16,17)18
    )20-8(6)12-2-1-5(13)11-9(
    12)15/h1-2,4,6-8,14H,3H2,
    (H,11,13,15)(H2,16,17,18)
    /t4-,6-,7-,8-/m1/s1;
    RTGGYPQTXNSBPD-XVFCMESISA-N    		 O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2
    C=CC(=O)NC2=O; O=P(O)(O)OCC2OC(N1C(=O)NC
    (=O)C=C1)C(F)C2O; C1=CN(C(=O)NC1=O)[C@H]
    2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F;
    O[C@H]1[C@@H](F)[C@@H](O[C@@H]1CO[P](O)
    (O)=O)N2C=CC(=O)NC2=O; C1=CN(C(=O)NC1=O)
    C2C(C(C(O2)COP(=O)(O)O)O)F    		 2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
    39336
    UFU    		 4 C41 H50 Co N6 O5 S InChI=1S/C41H52N6O5S.Co/c
    1-40(2,3)28-13-9-11-26(36
    (28)49)22-44-30-18-17-25(
    21-31(30)45-23-27-12-10-1
    4-29(37(27)50)41(4,5)6)38
    (51)43-20-19-42-34(48)16-
    8-7-15-33-35-32(24-53-33)
    46-39(52)47-35;/h9-14,17-
    18,21-23,32-33,35H,7-8,15
    -16,19-20,24H2,1-6H3,(H6,
    42,43,44,45,46,47,48,49,5
    0,51,52);/q;+2/p-2/t32-,3
    3-,35-;/m0./s1;
    GGMGBRLOTHARHT-SZKYPABLSA-L    		 CC(C)(C)c1cccc2c1O[Co]34=[N](C=C5C=CC=C(
    C5=O3)C(C)(C)C)c6cc(ccc6[N]4=C2)C(=O)NCC
    NC(=O)CCCCC7C8C(CS7)NC(=O)N8; CC(C)(C)C1
    =CC=CC(=CNc2cc(ccc2N=Cc3cccc(c3O[Co])C(C
    )(C)C)C(=O)NCCNC(=O)CCCC[CH]4SC[CH]5NC(=
    O)N[CH]45)C1=O; CC(C)(C)c1cccc2c1O[Co]34
    =[N](C=C5C=CC=C(C5=O3)C(C)(C)C)c6cc(ccc6
    [N]4=C2)C(=O)NCCNC(=O)CCCC[C@H]7[C@@H]8[
    C@H](CS7)NC(=O)N8; CC(C)(C)C1=CC=CC(=CNc
    2cc(ccc2N=Cc3cccc(c3O[Co])C(C)(C)C)C(=O)
    NCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H
    ]45)C1=O    		 cobalt Streptavidin
    39337
    UFV
    ZINC000000152846    		 1 C7 H6 Br F3 N2 InChI=1S/C7H6BrF3N2/c8-4-
    1-3(7(9,10)11)2-5(12)6(4)
    13/h1-2H,12-13H2;
    OVGAPUVMLZWQQF-UHFFFAOYSA-N    		 c1c(cc(c(c1N)N)Br)C(F)(F)F; Nc1cc(cc(Br)
    c1N)C(F)(F)F    		 3-BROMO-5-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
    39338
    UFW    		 2 C32 H43 Au N5 O2 S InChI=1S/C32H43N5O2S.Au/c
    1-19-11-21(3)30(22(4)12-1
    9)36-16-25(37(18-36)31-23
    (5)13-20(2)14-24(31)6)15-
    33-28(38)10-8-7-9-27-29-2
    6(17-40-27)34-32(39)35-29
    ;/h11-14,25-27,29H,7-10,1
    5-17H2,1-6H3,(H,33,38)(H2
    ,34,35,39);/t25-,26-,27-,
    29-;/m0./s1;
    MQANASQMIINTPK-INIVJQHFSA-N    		 Cc1cc(c(c(c1)C)N2C[C@@H](N(C2=[Au])c3c(c
    c(cc3C)C)C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H]
    (CS4)NC(=O)N5)C; Cc1cc(c(c(c1)C)N2CC(N(C
    2=[Au])c3c(cc(cc3C)C)C)CNC(=O)CCCCC4C5C(
    CS4)NC(=O)N5)C; Cc1cc(C)c(N2C[C@H](CNC(=
    O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)N(C
    2=[Au])c5c(C)cc(C)cc5C)c(C)c1; Cc1cc(C)c
    (N2C[CH](CNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[
    CH]34)N(C2=[Au])c5c(C)cc(C)cc5C)c(C)c1    		 ((4S)-1,3-dimesityl-4-((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold;
    [(4~{S})-4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]gold;
    [(4S)-4-[[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]gold
    39339
    UFX    		 1 C19 H18 F2 N2 O4 InChI=1S/C19H18F2N2O4/c1-
    19(26,18(20)21)15(17(25)2
    3-27)22-16(24)14-10-8-13(
    9-11-14)5-3-2-4-12-6-7-12
    /h8-12,15,18,26-27H,6-7H2
    ,1H3,(H,22,24)(H,23,25)/t
    15-,19+/m1/s1;
    NPTNDHDCCLLFJE-BEFAXECRSA-N    		 FC(F)C(C)(O)C(NC(=O)c1ccc(cc1)C#CC#CC1CC
    1)C(=O)NO; CC(C(C(=O)NO)NC(=O)c1ccc(cc1)
    C#CC#CC2CC2)(C(F)F)O; C[C@@](O)(C(F)F)[C
    @H](NC(=O)c1ccc(cc1)C#CC#CC2CC2)C(=O)NO;
    C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#
    CC#CC2CC2)(C(F)F)O; C[C](O)(C(F)F)[CH](N
    C(=O)c1ccc(cc1)C#CC#CC2CC2)C(=O)NO    		 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
    39340
    UFY
    CHEMBL4858320
    ZINC000169993369    		 2 C19 H25 B N4 O4 InChI=1S/C19H25BN4O4/c1-1
    3(2)10-17(20(27)28)24-18(
    25)15(11-14-6-4-3-5-7-14)
    23-19(26)16-12-21-8-9-22-
    16/h3-9,12-13,15,17,27-28
    H,10-11H2,1-2H3,(H,23,26)
    (H,24,25)/t15-,17+/m1/s1;
    GXJABQQUPOEUTA-WBVHZDCISA-N    		 CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)c2
    cnccn2)B(O)O; B(C(CC(C)C)NC(=O)C(Cc1cccc
    c1)NC(=O)c2cnccn2)(O)O; CC(C)C[C@H](NC(=
    O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O;
    B([C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)N
    C(=O)c2cnccn2)(O)O; c1cncc(n1)C(NC(Cc2cc
    ccc2)C(=O)NC(CC(C)C)B(O)O)=O    		 N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide
    39341
    UFZ    		 2 C7 H10 N InChI=1S/C7H9N/c8-6-7-4-2
    -1-3-5-7/h1-5H,6,8H2/p+1;
    WGQKYBSKWIADBV-UHFFFAOYSA-O    		 c1ccc(cc1)C[NH3+]; [NH3+]Cc1ccccc1 (phenylmethyl)azanium
    39342
    UG0    		 1 C14 H13 F N2 O InChI=1S/C14H13FN2O/c1-10
    -2-4-11(5-3-10)8-17-14(18
    )12-6-7-13(15)16-9-12/h2-
    7,9H,8H2,1H3,(H,17,18);
    QKRGNSPFHXLCPB-UHFFFAOYSA-N    		 Cc1ccc(cc1)CNC(=O)c2ccc(nc2)F; Cc1ccc(CN
    C(=O)c2ccc(F)nc2)cc1    		 6-fluoranyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
    39343
    UG1
    CHEMBL4955084
    ZINC000170612076    		 0 C9 H9 N5 O InChI=1S/C9H9N5O/c10-8-7(
    9(11)15)13-5-14(8)6-1-3-1
    2-4-2-6/h1-5H,10H2,(H2,11
    ,15);
    JYYYJULWGCNUJZ-UHFFFAOYSA-N    		 c1cnccc1n2cnc(c2N)C(=O)N; NC(=O)c1ncn(c2
    ccncc2)c1N; C(c1ncn(c1N)c2ccncc2)(N)=O    		 5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide
    39344
    UG2    		 1 C16 H14 N2 O InChI=1S/C16H14N2O/c19-12
    -13-6-8-15(9-7-13)18-11-1
    0-17-16(18)14-4-2-1-3-5-1
    4/h1-11,19H,12H2;
    SRMFZVQQLQNFMA-UHFFFAOYSA-N    		 OCc1ccc(cc1)n2ccnc2c3ccccc3; c1ccc(cc1)c
    2nccn2c3ccc(cc3)CO    		 [4-(2-phenylimidazol-1-yl)phenyl]methanol
    39345
    UG3    		 1 H7 O16 P5 InChI=1S/H7O16P5/c1-17(2,
    3)13-19(7,8)15-21(11,12)1
    6-20(9,10)14-18(4,5)6/h(H
    ,7,8)(H,9,10)(H,11,12)(H2
    ,1,2,3)(H2,4,5,6);
    QTPILKSJIOLICA-UHFFFAOYSA-N    		 OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=
    O)(O)O; O[P](O)(=O)O[P](O)(=O)O[P](O)(=O
    )O[P](O)(=O)O[P](O)(O)=O    		 bis[oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
    39346
    UG4
    ZINC000098209728    		 0 C9 H9 N5 O InChI=1S/C9H9N5O/c10-8-7(
    9(11)15)13-5-14(8)6-2-1-3
    -12-4-6/h1-5H,10H2,(H2,11
    ,15);
    WZVCHXNAUQIDJM-UHFFFAOYSA-N    		 c1cc(cnc1)n2cnc(c2N)C(=O)N; c1(cccnc1)n2
    c(c(nc2)C(N)=O)N; NC(=O)c1ncn(c2cccnc2)c
    1N    		 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide
    39347
    UG5    		 1 C11 H7 F3 N2 O InChI=1S/C11H7F3N2O/c12-1
    1(13,14)10-5-16(7-15-10)9
    -3-1-8(6-17)2-4-9/h1-7H;
    CZOGMUWEFPDSOJ-UHFFFAOYSA-N    		 FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2; c1cc(ccc
    1C=O)n2cc(nc2)C(F)(F)F    		 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
    39348
    UG6
    ZINC000004521105    		 1 C6 H11 N O3 S InChI=1S/C6H11NO3S/c1-4(8
    )7-5(3-11)6(9)10-2/h5,11H
    ,3H2,1-2H3,(H,7,8)/t5-/m0
    /s1;
    QTKAQJWFVXPIFV-YFKPBYRVSA-N    		 COC(=O)[CH](CS)NC(C)=O; COC(=O)[C@H](CS)
    NC(C)=O; COC(=O)C(NC(=O)C)CS; CC(=O)N[C@
    @H](CS)C(=O)OC; CC(=O)NC(CS)C(=O)OC    		 methyl N-acetyl-L-cysteinate
    39349
    UG7
    CHEMBL5077328    		 1 C26 H28 F3 N5 O3 S2 InChI=1S/C26H28F3N5O3S2/c
    27-26(28,29)39(36,37)33-8
    -6-20(7-9-33)34-15-22(17-
    2-1-3-18(11-17)24(30)38)2
    1-5-4-16(10-23(21)34)12-3
    2-25(35)19-13-31-14-19/h1
    -5,10-11,15,19-20,31H,6-9
    ,12-14H2,(H2,30,38)(H,32,
    35);
    WDQKQCWRQIVDBA-UHFFFAOYSA-N    		 c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CNC(=O
    )C4CNC4)C5CCN(CC5)S(=O)(=O)C(F)(F)F; NC(
    =S)c1cccc(c1)c2cn(C3CCN(CC3)[S](=O)(=O)C
    (F)(F)F)c4cc(CNC(=O)C5CNC5)ccc24; c1cc(c
    c(c1)c5c2c(cc(cc2)CNC(C3CNC3)=O)n(C4CCN(
    CC4)S(C(F)(F)F)(=O)=O)c5)C(N)=S    		 N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide
    39350
    UG8
    ZINC000032501227    		 1 C12 H15 N O3 S InChI=1S/C12H15NO3S/c14-1
    0-11-4-6-12(7-5-11)17(15,
    16)13-8-2-1-3-9-13/h4-7,1
    0H,1-3,8-9H2;
    KUSDDEPOUVZOCG-UHFFFAOYSA-N    		 c1cc(ccc1C=O)S(=O)(=O)N2CCCCC2; O=Cc1ccc
    (cc1)[S](=O)(=O)N2CCCCC2    		 4-piperidin-1-ylsulfonylbenzaldehyde
    39351
    UG9    		 2 C15 H20 I N5 O5 S InChI=1S/C15H20IN5O5S/c16
    -6-3-21(13-9(6)12(18)19-5
    -20-13)14-11(23)10(22)8(2
    6-14)4-27-2-1-7(17)15(24)
    25/h3,5,7-8,10-11,14,22-2
    3H,1-2,4,17H2,(H,24,25)(H
    2,18,19,20)/t7-,8+,10+,11
    +,14+/m0/s1;
    KWPUSSSCXHTEIW-TWBCTODHSA-N    		 N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1
    O)n2cc(I)c3c(N)ncnc23)C(O)=O; c1c(c2c(nc
    nc2n1C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N)I;
    c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H]
    (O3)CSCC[C@@H](C(=O)O)N)O)O)N)I; N[CH](C
    CSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(I)c3c(N
    )ncnc23)C(O)=O    		 (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
    39352
    UGA
    CHEMBL228057
    DB03041
    ZINC000008215691    		 71 C15 H22 N2 O18 P2 InChI=1S/C15H22N2O18P2/c1
    8-5-1-2-17(15(26)16-5)12-
    9(22)6(19)4(32-12)3-31-36
    (27,28)35-37(29,30)34-14-
    10(23)7(20)8(21)11(33-14)
    13(24)25/h1-2,4,6-12,14,1
    9-23H,3H2,(H,24,25)(H,27,
    28)(H,29,30)(H,16,18,26)/
    t4-,6-,7+,8+,9-,10-,11+,1
    2-,14-/m1/s1;
    HDYANYHVCAPMJV-LXQIFKJMSA-N    		 O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C(
    =O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O; O[CH]
    1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)O[P](O)
    (=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2
    O)N3C=CC(=O)NC3=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)C(=O)O)O)O)O)O)O; O[C@@H]1[C@@H
    ](O)[C@H](O[C@@H]([C@H]1O)C(O)=O)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; C1=CN(C(=O)N
    C1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(
    C(C(C(O3)C(=O)O)O)O)O)O)O    		 URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID;
    UDP-GLUCURONIC ACID
    39353
    UGB
    ZINC000008551198    		 9 C15 H22 N2 O18 P2 InChI=1S/C15H22N2O18P2/c1
    8-5-1-2-17(15(26)16-5)12-
    9(22)6(19)4(32-12)3-31-36
    (27,28)35-37(29,30)34-14-
    10(23)7(20)8(21)11(33-14)
    13(24)25/h1-2,4,6-12,14,1
    9-23H,3H2,(H,24,25)(H,27,
    28)(H,29,30)(H,16,18,26)/
    t4-,6-,7+,8-,9-,10-,11+,1
    2-,14-/m1/s1;
    HDYANYHVCAPMJV-GXNRKQDOSA-N    		 O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)O[
    P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)
    [CH]2O)N3C=CC(=O)NC3=O; O[C@@H]1[C@@H](O
    )[C@H](O[C@@H]([C@@H]1O)C(O)=O)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; C1=CN(C(=O)NC1=O)C
    2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(
    O3)C(=O)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)(O)O[C@@H]3[C@@H]([C@H]([C@H]
    ([C@H](O3)C(=O)O)O)O)O)O)O; O=C1C=CN(C(=
    O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C
    (=O)O)C(O)C(O)C3O)O)O    		 (2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
    39354
    UGC
    ZINC000094437740    		 4 C3 H6 N2 O4 InChI=1S/C3H6N2O4/c4-3(9)
    5-1(6)2(7)8/h1,6H,(H,7,8)
    (H3,4,5,9)/t1-/m0/s1;
    NWZYYCVIOKVTII-SFOWXEAESA-N    		 O=C(O)C(O)NC(=O)N; NC(=O)N[C@@H](O)C(O)=
    O; C(C(=O)O)(NC(=O)N)O; [C@H](C(=O)O)(NC
    (=O)N)O; NC(=O)N[CH](O)C(O)=O    		 (2S)-(carbamoylamino)(hydroxy)ethanoic acid;
    (S)-Ureidoglycolate
    39355
    UGD    		 1 C15 H14 N4 O3 InChI=1S/C15H14N4O3/c20-1
    3(4-10-7-16-9-17-8-10)18-
    11-2-1-3-12(5-11)22-15-6-
    14(21)19-15/h1-3,5,7-9,15
    H,4,6H2,(H,18,20)(H,19,21
    )/t15-/m1/s1;
    SGVQMOZIVBYLOT-OAHLLOKOSA-N    		 c1cc(cc(c1)OC2CC(=O)N2)NC(=O)Cc3cncnc3;
    c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cnc
    nc3; n1cncc(c1)CC(Nc3cccc(OC2NC(C2)=O)c3
    )=O; O=C1C[C@H](N1)Oc2cccc(NC(=O)Cc3cncn
    c3)c2; O=C1C[CH](N1)Oc2cccc(NC(=O)Cc3cnc
    nc3)c2    		 N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
    39356
    UGE    		 1 C16 H15 N O3 S InChI=1S/C16H15NO3S/c18-1
    2-13-7-9-15(10-8-13)21(19
    ,20)17-11-3-5-14-4-1-2-6-
    16(14)17/h1-2,4,6-10,12H,
    3,5,11H2;
    DGDWAMQMUQVWBK-UHFFFAOYSA-N    		 c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O;
    O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23    		 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde
    39357
    UGF    		 2 C15 H21 F N2 O17 P2 InChI=1S/C15H21FN2O17P2/c
    16-6-8(21)10(23)14(33-11(
    6)13(24)25)34-37(29,30)35
    -36(27,28)31-3-4-7(20)9(2
    2)12(32-4)18-2-1-5(19)17-
    15(18)26/h1-2,4,6-12,14,2
    0-23H,3H2,(H,24,25)(H,27,
    28)(H,29,30)(H,17,19,26)/
    t4-,6+,7-,8+,9-,10-,11+,1
    2-,14-/m1/s1;
    LVBLRZZISSCAOI-CTMYAEKBSA-N    		 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H](
    [C@H]([C@@H]([C@H](O3)C(=O)O)F)O)O)O)O;
    O[C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H]1F)C
    (O)=O)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; C1=
    CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O
    )(O)OC3C(C(C(C(O3)C(=O)O)F)O)O)O)O; O[CH
    ]1[CH](O)[CH](O[CH]([CH]1F)C(O)=O)O[P](O
    )(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]
    2O)N3C=CC(=O)NC3=O    		 (2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid;
    UDP-4-Deoxy-4-Fluoro-Glucuronic acid
    39358
    UGG    		 1 C17 H14 N2 O InChI=1S/C17H14N2O/c20-17
    (19-15-7-2-1-3-8-15)10-14
    -12-18-11-13-6-4-5-9-16(1
    3)14/h1-9,11-12H,10H2,(H,
    19,20);
    XBRJTBLYIAYTOZ-UHFFFAOYSA-N    		 O=C(Cc1cncc2ccccc12)Nc3ccccc3; N(c1ccccc
    1)C(=O)Cc2c3c(cnc2)cccc3; c1ccc(cc1)NC(=
    O)Cc2cncc3c2cccc3    		 2-(isoquinolin-4-yl)-N-phenylacetamide
    39359
    UGH
    CHEMBL1201382
    ZINC000004097420    		 1 C5 H14 N2 S InChI=1S/C5H14N2S/c6-2-1-
    3-7-4-5-8/h7-8H,1-6H2;
    YHPLKWQJMAYFCN-UHFFFAOYSA-N    		 NCCCNCCS; C(CN)CNCCS WR-1065
    39360
    UGI    		 2 C18 H21 F3 N6 O InChI=1S/C18H21F3N6O/c19-
    18(20,21)13-9-15(22)23-11
    -12(13)14-10-16(26-5-7-28
    -8-6-26)25-17(24-14)27-3-
    1-2-4-27/h9-11H,1-8H2,(H2
    ,22,23);
    FOSBFIXEYMDXIL-UHFFFAOYSA-N    		 Nc1cc(c(cn1)c2cc(nc(n2)N3CCCC3)N4CCOCC4)
    C(F)(F)F; c1c(c(cnc1N)c2cc(nc(n2)N3CCCC3
    )N4CCOCC4)C(F)(F)F    		 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
    39361
    UGJ
    CHEMBL2313832
    ZINC000095595974    		 1 C15 H8 Cl N5 S InChI=1S/C15H8ClN5S/c16-9
    -4-2-1-3-7(9)11-8(5-17)14
    (20)21-15-12(11)13(19)10(
    6-18)22-15/h1-4H,19H2,(H2
    ,20,21);
    ZYCDWPCMXHYGRS-UHFFFAOYSA-N    		 Clc3ccccc3c1c(C#N)c(nc2sc(C#N)c(c12)N)N;
    c1ccc(c(c1)c2c(c(nc3c2c(c(s3)C#N)N)N)C#
    N)Cl; Nc1nc2sc(C#N)c(N)c2c(c3ccccc3Cl)c1
    C#N    		 3,6-Diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
    39362
    UGK
    CHEMBL5314413    		 2 C23 H21 F N6 O3 InChI=1S/C23H21FN6O3/c1-1
    2-15(11-28(2)27-12)13-6-1
    4-17(7-19(13)32-4)26-9-18
    -21(14)30(23(31)29(18)3)2
    2-16(24)8-25-10-20(22)33-
    5/h6-11H,1-5H3;
    WNEFOSMCGCLLJU-UHFFFAOYSA-N    		 COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc
    4c23)c5cn(C)nc5C; Cc1c(cn(n1)C)c2cc3c(cc
    2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC    		 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one
    39363
    UGL    		 2 C9 H13 N3 O3 InChI=1S/C9H13N3O3/c1-6(2
    -3-8(13)14)11-9(15)7-4-5-
    10-12-7/h4-6H,2-3H2,1H3,(
    H,10,12)(H,11,15)(H,13,14
    )/t6-/m1/s1;
    RSKBJUVHKFRVMZ-ZCFIWIBFSA-N    		 CC(CCC(=O)O)NC(=O)c1cc[nH]n1; C[CH](CCC(
    O)=O)NC(=O)c1cc[nH]n1; C[C@H](CCC(O)=O)N
    C(=O)c1cc[nH]n1; C[C@H](CCC(=O)O)NC(=O)c
    1cc[nH]n1    		 (4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid
    39364
    UGM    		 1 C13 H10 N4 O InChI=1S/C13H10N4O/c14-6-
    11-4-10(7-16-8-11)5-13(18
    )17-12-2-1-3-15-9-12/h1-4
    ,7-9H,5H2,(H,17,18);
    DQOFNGNCBXHENB-UHFFFAOYSA-N    		 O=C(Cc1cncc(c1)C#N)Nc2cccnc2; N#Cc1cncc(
    c1)CC(=O)Nc2cccnc2; c1cc(cnc1)NC(=O)Cc2c
    c(cnc2)C#N    		 2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide
    39365
    UGN    		 1 C15 H24 N2 O2 S InChI=1S/C15H24N2O2S/c1-1
    3(2)12-16-8-10-17(11-9-16
    )20(18,19)15-6-4-14(3)5-7
    -15/h4-7,13H,8-12H2,1-3H3;
    VDISKSVXKJQHCZ-UHFFFAOYSA-N    		 Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C; CC
    (C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2    		 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
    39366
    UGO    		 2 C22 H32 N5 O6 InChI=1S/C22H32N5O6/c28-1
    4-18-20(30)21(31)19(29)13
    -26(18)11-4-2-1-3-8-23-16
    -7-6-15(12-17(16)27(32)33
    )22-24-9-5-10-25-22/h5-7,
    9-10,12,18-21,23,28-32H,1
    -4,8,11,13-14H2/t18-,19+,
    20-,21-/m1/s1;
    WPRQGBYRQQLONQ-PLACYPQZSA-N    		 c1cnc(nc1)c2ccc(c(c2)[N+](=O)[OH-])NCCCC
    CCN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O;
    OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C
    CCCCCNc2ccc(cc2[N+]([OH-])=O)c3ncccn3; O
    C[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2c
    cc(cc2[N+]([OH-])=O)c3ncccn3; O=N(=O)c1c
    c(ccc1NCCCCCCN1CC(O)C(O)C(O)C1CO)c1ncccn
    1; c1cnc(nc1)c2ccc(c(c2)[N+](=O)[OH-])NC
    CCCCCN3CC(C(C(C3CO)O)O)O    		 (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol
    39367
    UGP    		 1 C15 H13 N3 O InChI=1S/C15H13N3O/c1-11-
    5-6-17-10-14(11)18-15(19)
    8-12-3-2-4-13(7-12)9-16/h
    2-7,10H,8H2,1H3,(H,18,19);
    OTFRLGRHXMKEAF-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cccc(c2)C#N; N(C(Cc1cc
    cc(C#N)c1)=O)c2cnccc2C    		 2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide
    39368
    UGQ
    CHEMBL1327868
    ZINC000000029422    		 1 C16 H17 N O2 S InChI=1S/C16H17NO2S/c1-13
    -6-8-16(9-7-13)20(18,19)1
    7-11-10-14-4-2-3-5-15(14)
    12-17/h2-9H,10-12H2,1H3;
    ABXZGZXVLBYJDK-UHFFFAOYSA-N    		 Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc3C2; Cc
    1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2    		 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline
    39369
    UGR    		 2 C26 H26 N6 O5 S InChI=1S/C26H26N6O5S/c27-
    17(26(35)36)7-8-38-12-19-
    21(33)22(34)25(37-19)32-1
    1-16(20-23(28)30-13-31-24
    (20)32)6-5-14-9-15-3-1-2-
    4-18(15)29-10-14/h1-4,9-1
    1,13,17,19,21-22,25,33-34
    H,7-8,12,27H2,(H,35,36)(H
    2,28,30,31)/t17-,19+,21+,
    22+,25+/m0/s1;
    SPMFBZXXQBXKFX-LUOSIZPJSA-N    		 c1ccc2c(c1)cc(cn2)C#Cc3cn(c4c3c(ncn4)N)[
    C@H]5[C@@H]([C@@H]([C@H](O5)CSCC[C@@H](C
    (=O)O)N)O)O; N[CH](CCSC[CH]1O[CH]([CH](O
    )[CH]1O)n2cc(C#Cc3cnc4ccccc4c3)c5c(N)ncn
    c25)C(O)=O; N[C@@H](CCSC[C@H]1O[C@H]([C@
    H](O)[C@@H]1O)n2cc(C#Cc3cnc4ccccc4c3)c5c
    (N)ncnc25)C(O)=O; c1ccc2c(c1)cc(cn2)C#Cc
    3cn(c4c3c(ncn4)N)C5C(C(C(O5)CSCCC(C(=O)O
    )N)O)O    		 (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
    39370
    UGS
    CHEMBL4744511    		 1 C18 H16 N2 O2 InChI=1S/C18H16N2O2/c1-22
    -16-8-9-19-17(12-16)20-18
    (21)11-13-6-7-14-4-2-3-5-
    15(14)10-13/h2-10,12H,11H
    2,1H3,(H,19,20,21);
    LGUXBXKDCLNCEH-UHFFFAOYSA-N    		 N(C(=O)Cc2cc1c(cccc1)cc2)c3cc(ccn3)OC; C
    Oc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2; COc1cc
    nc(NC(=O)Cc2ccc3ccccc3c2)c1    		 N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide
    39371
    UGT
    ZINC000223071420    		 1 C16 H19 N3 O S InChI=1S/C16H19N3OS/c17-1
    6(15-5-2-8-21-15)19-13-4-
    1-3-12(9-13)11-20-14-6-7-
    18-10-14/h1-5,8-9,14,18H,
    6-7,10-11H2,(H2,17,19)/t1
    4-/m1/s1;
    OOJUYDKIKUNGMC-CQSZACIVSA-N    		 NC(=Nc1cccc(CO[C@@H]2CCNC2)c1)c3sccc3; c
    1cc(cc(c1)/N=C(\c2cccs2)/N)CO[C@@H]3CCNC
    3; c1cc(cc(c1)N=C(c2cccs2)N)COC3CCNC3; N
    C(=Nc1cccc(CO[CH]2CCNC2)c1)c3sccc3    		 N-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide
    39372
    UGU
    CHEMBL815
    DB12789
    ZINC000003830709    		 2 C20 H34 O5 InChI=1S/C20H34O5/c1-2-3-
    6-9-15(21)12-13-17-16(18(
    22)14-19(17)23)10-7-4-5-8
    -11-20(24)25/h4,7,12-13,1
    5-19,21-23H,2-3,5-6,8-11,
    14H2,1H3,(H,24,25)/b7-4-,
    13-12+/t15-,16+,17+,18-,1
    9+/m0/s1;
    PXGPLTODNUVGFL-YNNPMVKQSA-N    		 CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O;
    CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O
    )[C@@H]1C\C=C/CCCC(O)=O; CCCCC[CH](O)C=C
    [CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O;
    CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C
    @@H]1C/C=C\CCCC(=O)O)O)O)O    		 (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid;
    Dinoprost;
    Prostaglandin F2a;
    PGF2alpha
    39373
    UGV    		 1 C11 H9 Cl N2 O S InChI=1S/C11H9ClN2OS/c12-
    10-4-3-9(16-10)6-11(15)14
    -8-2-1-5-13-7-8/h1-5,7H,6
    H2,(H,14,15);
    VLAXFSPPTLAYDD-UHFFFAOYSA-N    		 c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl; Clc1sc(CC(
    =O)Nc2cccnc2)cc1; n2cccc(NC(Cc1ccc(s1)Cl
    )=O)c2    		 2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamide
    39374
    UGW
    CHEMBL29873
    ZINC000001081075    		 2 C14 H22 O InChI=1S/C14H22O/c1-13(2,
    3)10-7-8-12(15)11(9-10)14
    (4,5)6/h7-9,15H,1-6H3;
    ICKWICRCANNIBI-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(O)c(c1)C(C)(C)C; CC(C)(C)c
    1ccc(c(c1)C(C)(C)C)O    		 2,4-di~{tert}-butylphenol
    39375
    UGX
    ZINC000095920975    		 1 C18 H23 N3 O2 S InChI=1S/C18H23N3O2S/c1-1
    8(2,3)11-20-16(22)7-14-8-
    19-17(23)15-6-13(9-21(14)
    15)12-4-5-24-10-12/h4-6,9
    -10,14H,7-8,11H2,1-3H3,(H
    ,19,23)(H,20,22)/t14-/m0/
    s1;
    PNMQDIXULZYDDT-AWEZNQCLSA-N    		 CC(C)(C)CNC(=O)C[CH]1CNC(=O)c2cc(cn12)c3
    cscc3; O=C3c2n(cc(c1ccsc1)c2)C(CC(=O)NCC
    (C)(C)C)CN3; CC(C)(C)CNC(=O)C[C@H]1CNC(=
    O)c2cc(cn12)c3cscc3; CC(C)(C)CNC(=O)CC1C
    NC(=O)c2n1cc(c2)c3ccsc3; CC(C)(C)CNC(=O)
    C[C@H]1CNC(=O)c2n1cc(c2)c3ccsc3    		 N-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide
    39376
    UGY    		 16 C3 H7 N3 O3 InChI=1S/C3H7N3O3/c4-1(2(
    7)8)6-3(5)9/h1H,4H2,(H,7,
    8)(H3,5,6,9)/t1-/m0/s1;
    VTFWFHCECSOPSX-SFOWXEAESA-N    		 C(C(=O)O)(N)NC(=O)N; [C@H](C(=O)O)(N)NC(
    =O)N; O=C(N)NC(N)C(=O)O; N[C@@H](NC(N)=O
    )C(O)=O; N[CH](NC(N)=O)C(O)=O    		 (2S)-amino(carbamoylamino)ethanoic acid;
    (S)-2-ureidoglycine
    39377
    UGZ
    CHEMBL4865534    		 5 C25 H27 Cl N2 O5 S InChI=1S/C25H27ClN2O5S/c1
    -31-23-14-17(6-7-19(23)16
    -27-10-11-28-34(2,29)30)2
    0-4-3-5-21(25(20)26)18-8-
    9-22-24(15-18)33-13-12-32
    -22/h3-9,14-15,27-28H,10-
    13,16H2,1-2H3;
    XIYNVYMSOIQZSL-UHFFFAOYSA-N    		 COc1cc(ccc1CNCCNS(=O)(=O)C)c2cccc(c2Cl)c
    3ccc4c(c3)OCCO4; COc1cc(ccc1CNCCN[S](C)(
    =O)=O)c2cccc(c2Cl)c3ccc4OCCOc4c3    		 N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide;
    ~{N}-[2-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methylamino]ethyl]methanesulfonamide
    39378
    UH0    		 0 C26 H31 F N8 O6 InChI=1S/C26H31FN8O6/c1-1
    4-8-21(23(37)25(38)40-14)
    33(2)13-22(36)29-11-17-12
    -35(26(39)41-17)16-5-6-18
    (19(27)9-16)15-4-7-20(28-
    10-15)24-30-32-34(3)31-24
    /h4-7,9-10,14,17,21,23,25
    ,37-38H,8,11-13H2,1-3H3,(
    H,29,36)/t14-,17+,21+,23-
    ,25-/m1/s1;
    REKLJVWYYWKOBN-FIWUYBIJSA-N    		 C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O)O)N(C)
    CC(=O)NC[C@H]2CN(C(=O)O2)c3ccc(c(c3)F)c4
    ccc(nc4)c5nnn(n5)C; OC1C(CC(C)OC1O)N(C)C
    C(=O)NCC1CN(c2ccc(c3ccc(nc3)c3nn(C)nn3)c
    (F)c2)C(=O)O1; CC1CC(C(C(O1)O)O)N(C)CC(=
    O)NCC2CN(C(=O)O2)c3ccc(c(c3)F)c4ccc(nc4)
    c5nnn(n5)C; C[C@@H]1C[C@@H]([C@@H](O)[C@
    H](O)O1)N(C)CC(=O)NC[C@H]2CN(C(=O)O2)c3c
    cc(c(F)c3)c4ccc(nc4)c5nnn(C)n5; C[CH]1C[
    CH]([CH](O)[CH](O)O1)N(C)CC(=O)NC[CH]2CN
    (C(=O)O2)c3ccc(c(F)c3)c4ccc(nc4)c5nnn(C)
    n5    		 ~{N}-[[(5~{S})-3-[3-fluoranyl-4-[6-(2-methyl-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]-2-[methyl-[(2~{R},3~{R},4~{S},6~{R})-6-methyl-2,3-bis(oxidanyl)oxan-4-yl]amino]ethanamide
    39379
    UH1    		 1 C14 H11 N3 O InChI=1S/C14H11N3O/c15-9-
    12-4-1-3-11(7-12)8-14(18)
    17-13-5-2-6-16-10-13/h1-7
    ,10H,8H2,(H,17,18);
    DSTLUTUEFNLBST-UHFFFAOYSA-N    		 c1cc(cc(c1)C#N)CC(=O)Nc2cccnc2; O=C(Cc1c
    ccc(c1)C#N)Nc2cccnc2; N(C(Cc1cc(ccc1)C#N
    )=O)c2cccnc2    		 2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide
    39380
    UH2    		 2 C24 H25 N7 O5 S InChI=1S/C24H25N7O5S/c25-
    13(24(34)35)7-8-37-10-16-
    19(32)20(33)23(36-16)31-9
    -12(18-21(26)27-11-28-22(
    18)31)5-6-17-29-14-3-1-2-
    4-15(14)30-17/h1-4,9,11,1
    3,16,19-20,23,32-33H,7-8,
    10,25H2,(H,29,30)(H,34,35
    )(H2,26,27,28)/t13-,16+,1
    9+,20+,23+/m0/s1;
    PYEFDSOFRINBSR-IMYLTZEYSA-N    		 N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(
    C#Cc3[nH]c4ccccc4n3)c5c(N)ncnc25)C(O)=O;
    c1ccc2c(c1)[nH]c(n2)C#Cc3cn(c4c3c(ncn4)
    N)[C@H]5[C@@H]([C@@H]([C@H](O5)CSCC[C@@H
    ](C(=O)O)N)O)O; c1ccc2c(c1)[nH]c(n2)C#Cc
    3cn(c4c3c(ncn4)N)C5C(C(C(O5)CSCCC(C(=O)O
    )N)O)O; N[C@@H](CCSC[C@H]1O[C@H]([C@H](O
    )[C@@H]1O)n2cc(C#Cc3[nH]c4ccccc4n3)c5c(N
    )ncnc25)C(O)=O    		 (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
    39381
    UH3    		 1 C14 H12 N4 O2 InChI=1S/C14H12N4O2/c1-7-
    12(17-6-16-7)5-10-9-4-8(1
    3(15)19)2-3-11(9)18-14(10
    )20/h2-6H,1H3,(H2,15,19)(
    H,16,17)(H,18,20);
    NQRCNELXESTXEP-UHFFFAOYSA-N    		 Cc1nc[nH]c1\C=C2/C(=O)Nc3ccc(cc23)C(N)=O
    ; Cc1nc[nH]c1C=C2C(=O)Nc3ccc(cc23)C(N)=O
    ; Cc1c([nH]cn1)/C=C\2/c3cc(ccc3NC2=O)C(=
    O)N; Cc1c([nH]cn1)C=C2c3cc(ccc3NC2=O)C(=
    O)N    		 (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide
    39382
    UH4    		 1 C11 H11 N3 O S InChI=1S/C11H11N3OS/c1-8-
    4-5-10(16-8)14-11(15)13-9
    -3-2-6-12-7-9/h2-7H,1H3,(
    H2,13,14,15);
    OCXJDZBTSLHCNX-UHFFFAOYSA-N    		 Cc1ccc(s1)NC(=O)Nc2cccnc2; N(C(Nc1ccc(s1
    )C)=O)c2cccnc2; Cc1sc(NC(=O)Nc2cccnc2)cc
    1    		 N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea
    39383
    UH5    		 1 C17 H24 N4 O5 InChI=1S/C17H24N4O5/c18-7
    -4-8-25-17-14(16(24)15(23
    )13(10-22)26-17)21-9-12(1
    9-20-21)11-5-2-1-3-6-11/h
    1-3,5-6,9,13-17,22-24H,4,
    7-8,10,18H2/t13-,14+,15-,
    16-,17+/m1/s1;
    XCUIOLRELJNONY-JJTUDDRGSA-N    		 c1ccc(cc1)c2cn(nn2)C3C(C(C(OC3OCCCN)CO)O
    )O; c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H
    ]([C@H](O[C@@H]3OCCCN)CO)O)O; NCCCO[CH]1
    O[CH](CO)[CH](O)[CH](O)[CH]1n2cc(nn2)c3c
    cccc3; NCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@
    H](O)[C@@H]1n2cc(nn2)c3ccccc3    		 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside;
    (2~{R},3~{S},4~{R},5~{S},6~{S})-6-(3-azanylpropoxy)-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol
    39384
    UH6    		 0 C58 H90 F N9 O15 S InChI=1S/C58H90FN9O15S/c1
    -15-44-58(10,76)49(71)35(
    6)66(12)28-31(2)24-56(8,7
    5)51(33(4)48(34(5)53(73)8
    1-44)82-46-25-57(9,77-14)
    50(72)36(7)79-46)83-54-47
    (70)43(22-32(3)78-54)65(1
    1)20-21-84-30-45(69)61-27
    -39-29-68(55(74)80-39)38-
    17-18-40(41(59)23-38)37-1
    6-19-42(60-26-37)52-62-64
    -67(13)63-52/h16-19,23,26
    ,31-36,39,43-44,46-51,54,
    70-72,75-76H,15,20-22,24-
    25,27-30H2,1-14H3,(H,61,6
    9)/t31-,32-,33+,34-,35-,3
    6+,39+,43+,44-,46+,47-,48
    +,49-,50+,51-,54+,56-,57-
    ,58-/m1/s1;
    QIHLNARXTPPOEY-KOXYHZPISA-N    		 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[
    C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C
    )O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC
    )C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C
    CSCC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c(c5)F)
    c6ccc(nc6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O
    ; CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[
    C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[
    C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N
    (C)CCSCC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c(F
    )c5)c6ccc(nc6)c7nnn(C)n7)[C@](C)(O)C[C@@
    H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O; CC
    [CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)
    [CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH]
    (C)C[CH]([CH]3O)N(C)CCSCC(=O)NC[CH]4CN(C
    (=O)O4)c5ccc(c(F)c5)c6ccc(nc6)c7nnn(C)n7
    )[C](C)(O)C[CH](C)CN(C)[CH](C)[CH](O)[C]
    1(C)O; Cn1nc(nn1)c1ccc(cn1)c1ccc(cc1F)N1
    CC(OC1=O)CNC(=O)CSCCN(C)C1CC(C)OC(OC2C(C
    )C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC
    )C(C)(O)C(O)C(C)N(C)CC(C)CC2(C)O)C1O; CC
    C1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(
    C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)CC
    SCC(=O)NCC4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc
    (nc6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O    		 (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[(2-{[2-({[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}amino)-2-oxoethyl]sulfanyl}ethyl)(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
    39385
    UH7
    CHEMBL4785977    		 1 C14 H13 Cl N2 O InChI=1S/C14H13ClN2O/c1-1
    0-5-6-16-9-13(10)17-14(18
    )8-11-3-2-4-12(15)7-11/h2
    -7,9H,8H2,1H3,(H,17,18);
    ZROFBWFSOGSOQG-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cccc(c2)Cl; Cc1ccncc1N
    C(=O)Cc2cccc(Cl)c2; N(C(Cc1cccc(c1)Cl)=O
    )c2cnccc2C    		 2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
    39386
    UH8    		 1 C14 H18 N4 O5 InChI=1S/C14H18N4O5/c1-22
    -14-11(13(21)12(20)10(7-1
    9)23-14)18-6-9(16-17-18)8
    -3-2-4-15-5-8/h2-6,10-14,
    19-21H,7H2,1H3/t10-,11+,1
    2-,13-,14+/m1/s1;
    GWSVVXWGZNVVOP-ITGHMWBKSA-N    		 CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H
    ]1n2cc(nn2)c3cccnc3; COC1C(C(C(C(O1)CO)O
    )O)n2cc(nn2)c3cccnc3; CO[C@@H]1[C@H]([C@
    H]([C@@H]([C@H](O1)CO)O)O)n2cc(nn2)c3ccc
    nc3; CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1
    n2cc(nn2)c3cccnc3    		 Methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside;
    (2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yl-1,2,3-triazol-1-yl)oxane-3,4-diol
    39387
    UH9    		 1 C16 H15 F3 N O5 P InChI=1S/C16H15F3NO5P/c17
    -12-5-3-4-11(8-12)16(18,1
    9)10-20-15(21)9-25-13-6-1
    -2-7-14(13)26(22,23)24/h1
    -8H,9-10H2,(H,20,21)(H2,2
    2,23,24);
    CWLSIOCFRIMBMV-UHFFFAOYSA-N    		 c1ccc(c(c1)OCC(=O)NCC(c2cccc(c2)F)(F)F)P
    (=O)(O)O; O[P](O)(=O)c1ccccc1OCC(=O)NCC(
    F)(F)c2cccc(F)c2    		 [2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
    39388
    UHA    		 1 C15 H15 Cl N2 O InChI=1S/C15H15ClN2O/c1-1
    0-6-7-17-9-14(10)18-15(19
    )11(2)12-4-3-5-13(16)8-12
    /h3-9,11H,1-2H3,(H,18,19)
    /t11-/m1/s1;
    WNGGAWMEODUSED-LLVKDONJSA-N    		 C[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2; n1cc
    c(C)c(c1)NC(C(c2cccc(Cl)c2)C)=O; Cc1ccnc
    c1NC(=O)[C@H](C)c2cccc(c2)Cl; Cc1ccncc1N
    C(=O)C(C)c2cccc(c2)Cl; C[C@@H](C(=O)Nc1c
    nccc1C)c2cccc(Cl)c2    		 (2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide
    39389
    UHB    		 25 C24 H27 N9 O6 InChI=1S/C24H25N9O6/c25-2
    0-16-21(28-10-27-20)33(11
    -29-16)24-18(36)17(35)19(
    39-24)23(38)32-6-4-31(5-7
    -32)9-15(34)30-14-3-1-2-1
    2-13(14)8-26-22(12)37/h1-
    3,8,10-11,17-19,24,35-36H
    ,4-7,9H2,(H,26,37)(H2,25,
    27,28)/b30-14-/t17-,18+,1
    9-,24+/m0/s1;
    QEUOCRGVJJDDTK-VBFAUCSFSA-N    		 c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)[C@@H]
    4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)
    O)CNC2=O; Nc1ncnc2n(cnc12)[CH]3O[CH]([CH
    ](O)[CH]3O)C(=O)N4CCN(CC4)CC(=O)Nc5cccc6
    C(=O)NCc56; Nc1ncnc2n(cnc12)[C@@H]3O[C@@
    H]([C@@H](O)[C@H]3O)C(=O)N4CCN(CC4)CC(=O
    )Nc5cccc6C(=O)NCc56; c1cc2c(c(c1)NC(=O)C
    N3CCN(CC3)C(=O)C4C(C(C(O4)n5cnc6c5ncnc6N
    )O)O)CNC2=O; O=C6C5=CC=C/C(=N/C(=O)CN4CC
    N(C(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)CC4
    )C5=CN6    		 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide
    39390
    UHC    		 3 C19 H35 N2 O9 P S InChI=1S/C19H35N2O9PS/c1-
    4-5-6-7-14(22)12-16(24)32
    -11-10-20-15(23)8-9-21-18
    (26)17(25)19(2,3)13-30-31
    (27,28)29/h17,25H,4-13H2,
    1-3H3,(H,20,23)(H,21,26)(
    H2,27,28,29)/t17-/m1/s1;
    HGKMRNVHDOTSFB-QGZVFWFLSA-N    		 CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](C
    (C)(C)COP(=O)(O)O)O; CCCCCC(=O)CC(=O)SCC
    NC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O; CC
    CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(
    C)(C)CO[P](O)(O)=O; CCCCCC(=O)CC(=O)SCCN
    C(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)
    =O    		 ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate
    39391
    UHD
    DB04799
    ZINC000014881301    		 1 C18 H25 N O3 S InChI=1S/C18H25NO3S/c1-2-
    3-4-5-6-7-8-9-10-11-13-15
    (20)14-18(23-12-19-14)17(
    22)16(13)21/h12,21H,2-11H
    2,1H3;
    QCWGBMWYLYKEIU-UHFFFAOYSA-N    		 O=C2c1scnc1C(=O)C(=C2O)CCCCCCCCCCC; CCCC
    CCCCCCCC1=C(O)C(=O)c2scnc2C1=O; CCCCCCCC
    CCCC1=C(C(=O)c2c(ncs2)C1=O)O    		 6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE;
    3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL;
    UHDBT
    39392
    UHE    		 1 C13 H19 N O2 S InChI=1S/C13H19NO2S/c1-9(
    2)8-12(17)13(15)14-10-4-6
    -11(16-3)7-5-10/h4-7,9,12
    ,17H,8H2,1-3H3,(H,14,15)/
    t12-/m0/s1;
    HDLRYABNVVOQJO-LBPRGKRZSA-N    		 CC(C)CC(C(=O)Nc1ccc(cc1)OC)S; CC(C)C[C@@
    H](C(=O)Nc1ccc(cc1)OC)S; COc1ccc(NC(=O)[
    CH](S)CC(C)C)cc1; COc1ccc(NC(=O)[C@@H](S
    )CC(C)C)cc1    		 (S)-2-mercapto-N-(4-methoxyphenyl)-4-methylpentanamide;
    (2~{S})-~{N}-(4-methoxyphenyl)-4-methyl-2-sulfanyl-pentanamide
    39393
    UHF
    ZINC000034886883    		 1 C19 H30 N4 O4 InChI=1S/C19H30N4O4/c1-5-
    6-7-15(11-23(27)12-24)18(
    25)17(13(2)3)22-19(26)21-
    16-9-8-14(4)10-20-16/h8-1
    0,12-13,15,17,27H,5-7,11H
    2,1-4H3,(H2,20,21,22,26)/
    t15-,17+/m1/s1;
    AMPUUHFRILVRDV-WBVHZDCISA-N    		 CCCCC(CN(C=O)O)C(=O)C(C(C)C)NC(=O)Nc1ccc
    (cn1)C; O=C(Nc1ncc(cc1)C)NC(C(=O)C(CCCC)
    CN(O)C=O)C(C)C; CCCC[CH](CN(O)C=O)C(=O)[
    CH](NC(=O)Nc1ccc(C)cn1)C(C)C; CCCC[C@H](
    CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccc(c
    n1)C; CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(
    =O)Nc1ccc(C)cn1)C(C)C    		 N-((2R,4S)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-N-hydroxyformamide
    39394
    UHG
    CHEMBL2171250
    ZINC000001869694    		 1 C15 H12 Cl N O2 InChI=1S/C15H12ClNO2/c1-8
    (15(18)19)9-2-4-11-12-7-1
    0(16)3-5-13(12)17-14(11)6
    -9/h2-8,17H,1H3,(H,18,19)
    /t8-/m1/s1;
    PUXBGTOOZJQSKH-MRVPVSSYSA-N    		 C[C@@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23
    )c1; C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)c
    c23)c1; CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(
    =O)O; C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)
    C(=O)O; c3cc2c1cc(Cl)ccc1nc2cc3C(C)C(O)=
    O    		 (2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid
    39395
    UHH    		 1 C24 H39 N O4 InChI=1S/C24H39NO4/c1-13(
    4-7-21(25)29)16-5-6-17-22
    -18(12-20(28)24(16,17)3)2
    3(2)9-8-15(26)10-14(23)11
    -19(22)27/h8-9,13-20,22,2
    6-28H,4-7,10-12H2,1-3H3,(
    H2,25,29)/t13-,14+,15-,16
    -,17+,18+,19-,20+,22+,23+
    ,24-/m1/s1;
    FMNKZHQYXMWDCG-OELDTZBJSA-N    		 C[C@H](CCC(=O)N)C1CC[C@@H]2[C@@]1([C@H](
    C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(C=C[C@
    H](C4)O)C)O)O)C; C[CH](CCC(N)=O)[CH]1CC[
    CH]2[CH]3[CH](O)C[CH]4C[CH](O)C=C[C]4(C)
    [CH]3C[CH](O)[C]12C; CC(CCC(=O)N)C1CCC2C
    1(C(CC3C2C(CC4C3(C=CC(C4)O)C)O)O)C; O=C(
    N)CCC(C3CCC2C1C(O)CC4CC(O)C=CC4(C)C1CC(O
    )C23C)C; C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[
    C@@H]3[C@H](O)C[C@@H]4C[C@H](O)C=C[C@]4(
    C)[C@H]3C[C@H](O)[C@]12C    		 (3ALPHA,5ALPHA,7ALPHA,8ALPHA,12ALPHA,14BETA,17ALPHA)-3,7,12-TRIHYDROXYCHOL-1-EN-24-AMIDE
    39396
    UHI
    CHEMBL4650366    		 1 C21 H21 N O4 S InChI=1S/C21H21NO4S/c1-22
    -12-19(16-5-3-4-6-17(16)2
    1(22)23)18-11-15(27(2,24)
    25)9-10-20(18)26-13-14-7-
    8-14/h3-6,9-12,14H,7-8,13
    H2,1-2H3;
    UWZAJPITKGWMFJ-UHFFFAOYSA-N    		 CS(=O)(=O)c1cc(C2=CN(C)C(=O)c3ccccc23)c(
    OCC2CC2)cc1; CN1C=C(c2ccccc2C1=O)c3cc(cc
    c3OCC4CC4)[S](C)(=O)=O; CN1C=C(c2ccccc2C
    1=O)c3cc(ccc3OCC4CC4)S(=O)(=O)C    		 (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one;
    Trotabresib
    39397
    UHJ
    CHEMBL4436648    		 2 C16 H14 N4 O3 S2 InChI=1S/C16H14N4O3S2/c1-
    25(22,23)20-13-4-2-11(3-5
    -13)12-6-10(8-18-9-12)7-1
    4-15(21)19-16(17)24-14/h2
    -9,20H,1H3,(H2,17,19,21)/
    b14-7-;
    AGHDPPGOJJYURV-AUWJEWJLSA-N    		 CS(Nc1ccc(cc1)c2cncc(c2)[C@H]=C3C(=O)N/C
    (S3)=N)(=O)=O; [H]/N=C/1\NC(=O)/C(=C/c2c
    c(cnc2)c3ccc(cc3)NS(=O)(=O)C)/S1; C[S](=
    O)(=O)Nc1ccc(cc1)c2cncc(C=C3SC(=N)NC3=O)
    c2; C[S](=O)(=O)Nc1ccc(cc1)c2cncc(/C=C/3
    SC(=N)NC/3=O)c2; CS(=O)(=O)Nc1ccc(cc1)c2
    cc(cnc2)C=C3C(=O)NC(=N)S3    		 N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide
    39398
    UHK    		 2 C13 H19 N O S InChI=1S/C13H19NOS/c1-9(2
    )8-12(16)13(15)14-11-6-4-
    10(3)5-7-11/h4-7,9,12,16H
    ,8H2,1-3H3,(H,14,15)/t12-
    /m0/s1;
    BYBVNNWQUAPBOD-LBPRGKRZSA-N    		 Cc1ccc(cc1)NC(=O)C(CC(C)C)S; CC(C)C[C@H]
    (S)C(=O)Nc1ccc(C)cc1; Cc1ccc(cc1)NC(=O)[
    C@H](CC(C)C)S; CC(C)C[CH](S)C(=O)Nc1ccc(
    C)cc1    		 (S)-2-mercapto-4-methyl-N-(p-tolyl)pentanamide;
    (2~{S})-4-methyl-~{N}-(4-methylphenyl)-2-sulfanyl-pentanamide
    39399
    UHL    		 6 C5 H9 N3 O2 InChI=1S/C5H9N3O2/c1-9-3-
    2-4-7-8-5(6)10-4/h2-3H2,1
    H3,(H2,6,8);
    NOHAGGWBLILEEG-UHFFFAOYSA-N    		 COCCc1nnc(o1)N; COCCc1oc(N)nn1 5-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
    39400
    UHM    		 1 C13 H11 N3 O2 S InChI=1S/C13H11N3O2S/c14-
    5-6-18-12-4-2-1-3-11(12)1
    3(17)15-7-10-8-16-19-9-10
    /h1-4,8-9H,6-7H2,(H,15,17
    );
    PZOXHLAZHKNFDQ-UHFFFAOYSA-N    		 n2scc(CNC(c1c(OCC#N)cccc1)=O)c2; c1ccc(c
    (c1)C(=O)NCc2cnsc2)OCC#N; O=C(NCc1csnc1)
    c2ccccc2OCC#N    		 2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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