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  • Click # to view 2D diagram of the ligand.
  • The 3-letter Ligand ID follows the Chemical Component Dictionary (CCD) used by the PDB database. When availble, the Ligand ID from ChEMBL, DrugBank, and ZINC databases are also listed in the form of CHEMBL*, DB*, and ZINC*, respectively. Click on the Ligand ID to view the ligand at RCSB PDB, ChEMBL, DrugBank or ZINC.
  • Count is the number of BioLiP entries with the ligand. The full statistics is available at lig_frequency.txt. Click Count to search the ligand through BioLiP.
  • If multiple SMILES strings exists for the same ligand, different SMILES are separated by semicolon ";".

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    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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