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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    35801 SBN
    CHEMBL299001
    DB08528
    ZINC000000006471    		 1 C15 H14 N2 O2 S InChI=1S/C15H14N2O2S/c1-1
    0-6-11(2)8-12(7-10)20(18,
    19)15-5-3-4-14(17)13(15)9
    -16/h3-8H,17H2,1-2H3;
    SWGDXLAZBZDUBR-UHFFFAOYSA-N    		 Cc1cc(cc(c1)S(=O)(=O)c2cccc(c2C#N)N)C; C
    c1cc(C)cc(c1)[S](=O)(=O)c2cccc(N)c2C#N;
    N#Cc1c(cccc1N)S(=O)(=O)c2cc(cc(c2)C)C    		 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE
    35802 SBO
    DB02453    		 5 H3 O3 Sb InChI=1S/3H2O.Sb/h3*1H2;/
    q;;;+3/p-3;
    SZOADBKOANDULT-UHFFFAOYSA-K    		 O[Sb](O)O TRIHYDROXYANTIMONITE(III)
    35803 SBP
    DB03129    		 1 C6 H15 B N3 O3 InChI=1S/C6H14BN3O3/c8-6(
    9)10-2-1-3-11-7-12-4-5-13
    -7/h1-5H2,(H4,8,9,10)/p+1;
    QHANCKHXGBJANE-UHFFFAOYSA-O    		 B1(OCCO1)OCCCNC(=[NH2+])N; NC(=[NH2+])NC
    CCOB1OCCO1; O(B1OCCO1)CCCNC(=[NH2+])\N    		 [3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPYL]GUANIDINE
    35804 SBQ
    CHEMBL2058195
    ZINC000084713930    		 8 C20 H21 Cl O8 InChI=1S/C20H21ClO8/c1-27
    -19(26)12-4-2-3-10(7-12)1
    1-5-6-14(13(21)8-11)28-20
    -18(25)17(24)16(23)15(9-2
    2)29-20/h2-8,15-18,20,22-
    25H,9H2,1H3/t15-,16-,17+,
    18+,20+/m1/s1;
    PDLRSZVVAYSCAH-JGLNRKDHSA-N    		 COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[
    C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O; COC
    (=O)c1cccc(c1)c2ccc(O[C@H]3O[C@H](CO)[C@
    @H](O)[C@H](O)[C@@H]3O)c(Cl)c2; COC(=O)c
    1cccc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH
    ](O)[CH]3O)c(Cl)c2; COC(=O)c1cccc(c1)c2c
    cc(c(c2)Cl)OC3C(C(C(C(O3)CO)O)O)O    		 methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate
    35805 SBR
    DB02479
    ZINC000002547583    		 3 C19 H21 N3 O3 S InChI=1S/C19H21N3O3S/c1-1
    4(13-22-11-10-15-4-2-3-5-
    18(15)22)12-21-19(23)16-6
    -8-17(9-7-16)26(20,24)25/
    h2-11,14H,12-13H2,1H3,(H,
    21,23)(H2,20,24,25)/t14-/
    m1/s1;
    ZFWHOUCRVSOZJE-CQSZACIVSA-N    		 CC(CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2
    cccc3; C[CH](CNC(=O)c1ccc(cc1)[S](N)(=O)
    =O)Cn2ccc3ccccc23; C[C@H](CNC(=O)c1ccc(c
    c1)[S](N)(=O)=O)Cn2ccc3ccccc23; O=S(=O)(
    N)c1ccc(cc1)C(=O)NCC(C)Cn3c2ccccc2cc3; C
    [C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc
    3c2cccc3    		 (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE
    35806 SBS
    DB03950
    ZINC000003581175    		 1 C19 H21 N3 O3 S InChI=1S/C19H21N3O3S/c1-1
    4(13-22-11-10-15-4-2-3-5-
    18(15)22)12-21-19(23)16-6
    -8-17(9-7-16)26(20,24)25/
    h2-11,14H,12-13H2,1H3,(H,
    21,23)(H2,20,24,25)/t14-/
    m0/s1;
    ZFWHOUCRVSOZJE-AWEZNQCLSA-N    		 C[C@@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2c
    cc3c2cccc3; CC(CNC(=O)c1ccc(cc1)S(=O)(=O
    )N)Cn2ccc3c2cccc3; C[CH](CNC(=O)c1ccc(cc
    1)[S](N)(=O)=O)Cn2ccc3ccccc23; O=S(=O)(N
    )c1ccc(cc1)C(=O)NCC(C)Cn3c2ccccc2cc3; C[
    C@@H](CNC(=O)c1ccc(cc1)[S](N)(=O)=O)Cn2c
    cc3ccccc23    		 (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE
    35807 SBT
    ZINC000001850884    		 6 C4 H10 O InChI=1S/C4H10O/c1-3-4(2)
    5/h4-5H,3H2,1-2H3/t4-/m0/
    s1;
    BTANRVKWQNVYAZ-BYPYZUCNSA-N    		 CCC(C)O; CC[C@H](C)O; CC[CH](C)O; OC(C)C
    C    		 2-BUTANOL
    35808 SBU 0 C4 H10 InChI=1/C4H10/c1-3-4-2/h3
    -4H2,1-2H3;
    IJDNQMDRQITEOD-UHFFFAOYAE    		 CCCC SEC-BUTYL GROUP
    35809 SBV 1 C27 H49 N6 O12 P InChI=1S/C27H49N6O12P/c1-
    12-19(34)15(13(7-33-12)10
    -42-46(38,39)40)9-32-8-14
    -4-5-16(28)25(43-14)44-22
    -17(29)6-18(30)23(20(22)3
    5)45-26-21(36)24(31-3)27(
    2,37)11-41-26/h7,14,16-18
    ,20-26,31-32,34-37H,4-6,8
    -11,28-30H2,1-3H3,(H2,38,
    39,40)/t14-,16-,17+,18-,2
    0+,21-,22-,23+,24-,25-,26
    -,27+/m1/s1;
    RIDGEVUBNCTQEZ-LVJYRULHSA-N    		 CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@
    H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H]
    (CC[C@H]3N)CNCc4c(O)c(C)ncc4CO[P](O)(O)=
    O)[C@@H]2O; c4(CNCC3CCC(C(OC1C(CC(N)C(C1
    O)OC2C(O)C(NC)C(CO2)(C)O)N)O3)N)c(COP(O)
    (O)=O)cnc(c4O)C; Cc1c(c(c(cn1)COP(=O)(O)
    O)CNC[C@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H
    ](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([
    C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O; CN[CH]
    1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[C
    H](N)[CH](O[CH]3O[CH](CC[CH]3N)CNCc4c(O)
    c(C)ncc4CO[P](O)(O)=O)[CH]2O; Cc1c(c(c(c
    n1)COP(=O)(O)O)CNCC2CCC(C(O2)OC3C(CC(C(C
    3O)OC4C(C(C(CO4)(C)O)NC)O)N)N)N)O    		 (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-L-threo-hexopyranoside;
    PLP-sisomicin
    35810 SBW 3 C14 H14 N2 O4 S InChI=1S/C14H14N2O4S/c15-
    21(19,20)13-6-4-11(5-7-13
    )14(18)16-9-10-2-1-3-12(1
    7)8-10/h1-8,17H,9H2,(H,16
    ,18)(H2,15,19,20);
    JHOGRPZBQMWATN-UHFFFAOYSA-N    		 O=S(=O)(N)c2ccc(C(=O)NCc1cccc(O)c1)cc2;
    N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(O)c2
    ; c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O
    )N    		 N-(3-hydroxybenzyl)-4-sulfamoylbenzamide
    35811 SBX
    CHEMBL321038    		 1 C28 H41 N O4 InChI=1S/C28H41NO4/c1-4-2
    8(2,3)25(30)26(31)29-20-1
    2-11-17-23(29)27(32)33-24
    (22-15-9-6-10-16-22)19-18
    -21-13-7-5-8-14-21/h5,7-8
    ,13-14,22-24H,4,6,9-12,15
    -20H2,1-3H3/t23-,24?/m0/s
    1;
    PANCOFAQARSQHI-UXMRNZNESA-N    		 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc2c
    cccc2)C3CCCCC3; CCC(C)(C)C(=O)C(=O)N1CCC
    C[C@H]1C(=O)OC(CCc2ccccc2)C3CCCCC3; CCC(
    C)(C)C(=O)C(=O)N1CCCC[CH]1C(=O)O[CH](CCc
    2ccccc2)C3CCCCC3; CCC(C)(C)C(=O)C(=O)N1C
    CCC[C@H]1C(=O)O[C@H](CCc2ccccc2)C3CCCCC3
    ; O=C(C(=O)C(C)(C)CC)N3C(C(=O)OC(CCc1ccc
    cc1)C2CCCCC2)CCCC3    		 1-CYCLOHEXYL-3-PHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
    35812 SBY
    CHEMBL1235854    		 6 C17 H37 N O3 S InChI=1S/C17H37NO3S/c1-4-
    5-6-7-8-9-10-11-12-13-15-
    18(2,3)16-14-17-22(19,20)
    21/h4-17H2,1-3H3;
    IZWSFJTYBVKZNK-UHFFFAOYSA-N    		 CCCCCCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O
    ; [O-]S(=O)(=O)CCC[N+](C)(CCCCCCCCCCCC)C
    ; CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]    		 3-[DODECYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE
    35813 SBZ
    DB04109    		 1 C10 H14 B N2 O3 InChI=1S/C10H13BN2O3/c12-
    10(13)9-3-1-8(2-4-9)7-16-
    11-14-5-6-15-11/h1-4H,5-7
    H2,(H3,12,13)/p+1;
    XCLFQXCQQHVLJQ-UHFFFAOYSA-O    		 O(B1OCCO1)Cc2ccc(C(=[NH2+])\N)cc2; NC(=[
    NH2+])c1ccc(COB2OCCO2)cc1; B1(OCCO1)OCc2
    ccc(cc2)C(=[NH2+])N    		 [4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINE
    35814 SC 0 C9 H14 N3 O6 P S InChI=1S/C9H14N3O6PS/c10-
    7-1-2-12(9(14)11-7)8-3-5(
    13)6(18-8)4-17-19(15,16)2
    0/h1-2,5-6,8,13H,3-4H2,(H
    2,10,11,14)(H2,15,16,20)/
    t5-,6+,8+/m0/s1;
    FHBXKBNKQMSUIJ-SHYZEUOFSA-N    		 NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](C
    O[P](O)(O)=S)O2; O=C1N=C(N)C=CN1C2OC(C(O
    )C2)COP(=S)(O)O; NC1=NC(=O)N(C=C1)[CH]2C
    [CH](O)[CH](CO[P](O)(O)=S)O2; C1C(C(OC1N
    2C=CC(=NC2=O)N)COP(=S)(O)O)O; C1[C@@H]([
    C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)O)
    O    		 2-DEOXY-CYTIDINE-5'-THIOPHOSPHORATE
    35815 SC0
    CHEMBL494708
    DB08529
    ZINC000040955640    		 2 C17 H34 O6 P2 InChI=1S/C17H34O6P2/c1-3-
    5-7-9-11-13-15-17(24(18,1
    9)20,25(21,22)23)16-14-12
    -10-8-6-4-2/h11-14H,3-10,
    15-16H2,1-2H3,(H2,18,19,2
    0)(H2,21,22,23)/b13-11+,1
    4-12+;
    PFKBXXKNHWTTCS-PHEQNACWSA-N    		 CCCCC\C=C\CC(C\C=C\CCCCC)(P(=O)(O)O)P(=O
    )(O)O; O=P(O)(O)C(C/C=C/CCCCC)(C/C=C/CCC
    CC)P(=O)(O)O; CCCCCC=CCC(CC=CCCCCC)([P](
    O)(O)=O)[P](O)(O)=O; CCCCCC=CCC(CC=CCCCC
    C)(P(=O)(O)O)P(=O)(O)O; CCCCC\C=C\CC(C\C
    =C\CCCCC)([P](O)(O)=O)[P](O)(O)=O    		 (6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)
    35816 SC1
    CHEMBL1159978
    ZINC000026725016    		 1 C10 H16 O13 P2 InChI=1S/C10H16O13P2/c1-1
    0(9(14)15,24(16,17)18)22-
    5-2-4(8(12)13)3-6(7(5)11)
    23-25(19,20)21/h3,5-7,11H
    ,2H2,1H3,(H,12,13)(H,14,1
    5)(H2,16,17,18)(H2,19,20,
    21)/t5-,6-,7+,10+/m1/s1;
    HUOJJMMXOWLGJU-JQCUSGDOSA-N    		 CC(C(=O)O)(OC1CC(=CC(C1O)OP(=O)(O)O)C(=O
    )O)P(=O)(O)O; C[C](O[CH]1CC(=C[CH](O[P](
    O)(O)=O)[CH]1O)C(O)=O)(C(O)=O)[P](O)(O)=
    O; O=C(O)C(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O
    )O)(P(=O)(O)O)C; C[C@](C(=O)O)(O[C@@H]1C
    C(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O
    )(O)O; C[C@@](O[C@@H]1CC(=C[C@@H](O[P](O
    )(O)=O)[C@H]1O)C(O)=O)(C(O)=O)[P](O)(O)=
    O    		 [3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
    35817 SC2
    CHEMBL600
    DB06151
    ZINC000003589203    		 17 C5 H9 N O3 S InChI=1S/C5H9NO3S/c1-3(7)
    6-4(2-10)5(8)9/h4,10H,2H2
    ,1H3,(H,6,7)(H,8,9)/t4-/m
    0/s1;
    PWKSKIMOESPYIA-BYPYZUCNSA-N    		 CC(=O)NC(CS)C(=O)O; O=C(NC(C(=O)O)CS)C;
    CC(=O)N[C@@H](CS)C(=O)O; CC(=O)N[C@@H](C
    S)C(O)=O; CC(=O)N[CH](CS)C(O)=O    		 N-ACETYL-L-CYSTEINE;
    (2R)-2-acetamido-3-sulfanyl-propanoic acid
    35818 SC3
    DB08530    		 9 C18 H23 N6 O2 InChI=1S/C18H22N6O2/c1-21
    -15-14(16(25)22(2)18(21)2
    6)24(12-13-6-4-3-5-7-13)1
    7(20-15)23-10-8-19-9-11-2
    3/h3-7,19H,8-12H2,1-2H3/p
    +1;
    QFSMMXJBEBXTJP-UHFFFAOYSA-O    		 CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(
    =O)N(C1=O)C; CN1C(=O)N(C)c2nc(N3CC[NH2+]
    CC3)n(Cc4ccccc4)c2C1=O; O=C2N(c1nc(n(c1C
    (=O)N2C)Cc3ccccc3)N4CC[NH2+]CC4)C    		 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE
    35819 SC4
    CHEMBL1235858
    DB17736
    ZINC000001891911    		 3 C21 H17 Cl3 O3 InChI=1S/C21H17Cl3O3/c1-2
    5-16-9-10-20(19(24)11-16)
    26-12-14-5-7-15(8-6-14)13
    -27-21-17(22)3-2-4-18(21)
    23/h2-11H,12-13H2,1H3;
    XXMDDBVNWRWNCW-UHFFFAOYSA-N    		 COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3C
    l)Cl; Clc3cccc(Cl)c3OCc1ccc(cc1)COc2ccc(
    OC)cc2Cl; COc1ccc(OCc2ccc(COc3c(Cl)cccc3
    Cl)cc2)c(Cl)c1    		 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE
    35820 SC5
    DB04778
    ZINC000019331258    		 2 C18 H26 N4 O2 InChI=1S/C18H26N4O2/c1-13
    (15-5-3-2-4-6-15)21-18(20
    -12-17(23)24)22-16-9-7-14
    (11-19)8-10-16/h2-10,13,1
    7-18,20-24H,11-12,19H2,1H
    3/t13-,18-/m1/s1;
    LPSXGZAUAOMRNU-FZKQIMNGSA-N    		 CC(c1ccccc1)NC(NCC(O)O)Nc2ccc(cc2)CN; OC
    (O)CNC(Nc1ccc(cc1)CN)NC(c2ccccc2)C; C[C@
    @H](N[C@@H](NCC(O)O)Nc1ccc(CN)cc1)c2cccc
    c2; C[C@H](c1ccccc1)NC(NCC(O)O)Nc2ccc(cc
    2)CN; C[CH](N[CH](NCC(O)O)Nc1ccc(CN)cc1)
    c2ccccc2    		 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL;
    SC45647
    35821 SC6
    CHEMBL403195
    ZINC000014209296    		 2 C34 H39 F2 N3 O5 InChI=1S/C34H39F2N3O5/c1-
    21-11-23(16-24(12-21)34(4
    2)39-10-6-7-27(39)20-43-2
    )33(41)38-31(15-22-13-25(
    35)17-26(36)14-22)32(40)3
    0-18-29(19-37-30)44-28-8-
    4-3-5-9-28/h3-5,8-9,11-14
    ,16-17,27,29-32,37,40H,6-
    7,10,15,18-20H2,1-2H3,(H,
    38,41)/t27-,29-,30-,31+,3
    2-/m1/s1;
    KYHYNSQLYDXSNK-MXWGZHRFSA-N    		 COC[CH]1CCCN1C(=O)c2cc(C)cc(c2)C(=O)N[CH
    ](Cc3cc(F)cc(F)c3)[CH](O)[CH]4C[CH](CN4)
    Oc5ccccc5; COC[C@H]1CCCN1C(=O)c2cc(C)cc(
    c2)C(=O)N[C@@H](Cc3cc(F)cc(F)c3)[C@H](O)
    [C@H]4C[C@H](CN4)Oc5ccccc5; O=C(N1CCCC1C
    OC)c2cc(cc(c2)C)C(=O)NC(Cc3cc(F)cc(F)c3)
    C(O)C5NCC(Oc4ccccc4)C5; Cc1cc(cc(c1)C(=O
    )N2CCCC2COC)C(=O)NC(Cc3cc(cc(c3)F)F)C(C4
    CC(CN4)Oc5ccccc5)O; Cc1cc(cc(c1)C(=O)N2C
    CC[C@@H]2COC)C(=O)N[C@@H](Cc3cc(cc(c3)F)
    F)[C@@H]([C@H]4C[C@H](CN4)Oc5ccccc5)O    		 N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE
    35822 SC7
    CHEMBL257278
    ZINC000016052468    		 2 C31 H43 F2 N3 O4 InChI=1S/C31H43F2N3O4/c1-
    5-10-36(11-6-2)31(39)23-1
    3-20(4)12-22(17-23)30(38)
    35-28(16-21-14-24(32)18-2
    5(33)15-21)29(37)27-19-26
    (40-7-3)8-9-34-27/h12-15,
    17-18,26-29,34,37H,5-11,1
    6,19H2,1-4H3,(H,35,38)/t2
    6-,27+,28-,29+/m0/s1;
    JWYOKBPWLVCFKU-ICYKMPLBSA-N    		 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc
    2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)O
    CC)O)C; O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)
    NC(Cc2cc(F)cc(F)c2)C(O)C3NCCC(OCC)C3; CC
    CN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2c
    c(F)cc(F)c2)[CH](O)[CH]3C[CH](CCN3)OCC;
    CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(c
    c(c2)F)F)C(C3CC(CCN3)OCC)O)C; CCCN(CCC)C
    (=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc2cc(F)cc
    (F)c2)[C@H](O)[C@H]3C[C@H](CCN3)OCC    		 N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
    35823 SC8
    CHEMBL403350
    DB08531
    ZINC000028957172    		 1 C18 H13 Cl2 N5 InChI=1S/C18H13Cl2N5/c19-
    14-3-1-2-13(18(14)20)15-1
    0-17(25-16(24-15)6-9-23-2
    5)22-11-12-4-7-21-8-5-12/
    h1-10,22H,11H2;
    CVYWYUAQFJMLEO-UHFFFAOYSA-N    		 Clc1cccc(c1Cl)c2cc(NCc3ccncc3)n4nccc4n2;
    c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4
    ccncc4; Clc4cccc(c2nc1ccnn1c(c2)NCc3ccnc
    c3)c4Cl    		 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
    35824 SC9
    DB08532
    ZINC000033295983    		 1 C18 H14 F N5 InChI=1S/C18H14FN5/c19-15
    -6-2-1-5-14(15)16-12-24-9
    -8-21-18(24)17(23-16)22-1
    1-13-4-3-7-20-10-13/h1-10
    ,12H,11H2,(H,22,23);
    WCNPGRRMPFCHEO-UHFFFAOYSA-N    		 c1ccc(c(c1)c2cn3ccnc3c(n2)NCc4cccnc4)F;
    Fc1ccccc1c2cn3ccnc3c(NCc4cccnc4)n2; Fc4c
    cccc4c1nc(c2nccn2c1)NCc3cccnc3    		 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
    35825 SCA
    DB03699
    ZINC000008551116    		 62 C25 H40 N7 O19 P3 S InChI=1S/C25H40N7O19P3S/c
    1-25(2,20(38)23(39)28-6-5
    -14(33)27-7-8-55-16(36)4-
    3-15(34)35)10-48-54(45,46
    )51-53(43,44)47-9-13-19(5
    0-52(40,41)42)18(37)24(49
    -13)32-12-31-17-21(26)29-
    11-30-22(17)32/h11-13,18-
    20,24,37-38H,3-10H2,1-2H3
    ,(H,27,33)(H,28,39)(H,34,
    35)(H,43,44)(H,45,46)(H2,
    26,29,30)(H2,40,41,42)/t1
    3-,18-,19-,20+,24-/m1/s1;
    VNOYUJKHFWYWIR-ITIYDSSPSA-N    		 O=C(O)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C
    )COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc1
    2)N)C(O)C3OP(=O)(O)O; CC(C)(COP(=O)(O)OP
    (=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(
    =O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O
    )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)n
    2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NC
    CSC(=O)CCC(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)ncnc23)[CH](O)C(=O)NCCC(=O
    )NCCSC(=O)CCC(O)=O; CC(C)(CO[P@@](=O)(O)
    O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](
    O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=
    O)NCCC(=O)NCCSC(=O)CCC(=O)O)O    		 SUCCINYL-COENZYME A
    35826 SCB
    ZINC000008400586    		 2 C24 H19 Cl N2 O5 S InChI=1S/C24H19ClN2O5S/c1
    -31-12-11-27-22(28)21(33-
    24(27)26-16-5-3-2-4-6-16)
    14-17-8-10-20(32-17)15-7-
    9-19(25)18(13-15)23(29)30
    /h2-10,13-14H,11-12H2,1H3
    ,(H,29,30)/b21-14+,26-24-;
    BLYOIVXXTIAFFL-QPVYCHHJSA-N    		 COCCN1C(=O)C(SC1=Nc2ccccc2)=Cc3oc(cc3)c4
    ccc(Cl)c(c4)C(O)=O; COCCN1C(=O)\C(SC1=Nc
    2ccccc2)=C/c3oc(cc3)c4ccc(Cl)c(c4)C(O)=O
    ; COCCN1C(=O)C(=Cc2ccc(o2)c3ccc(c(c3)C(=
    O)O)Cl)SC1=Nc4ccccc4; Clc1ccc(cc1C(=O)O)
    c2oc(cc2)/C=C4/S/C(=N\c3ccccc3)N(C4=O)CC
    OC    		 2-CHLORO-5-(5-{(E)-[(2Z)-3-(2-METHOXYETHYL)-4-OXO-2-(PHENYLIMINO)-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-2-FURYL)BENZOIC ACID
    35827 SCC 0 C2 H6 S InChI=1S/C2H6S/c1-2-3/h3H
    ,2H2,1H3;
    DNJIEGIFACGWOD-UHFFFAOYSA-N    		 SCC; CCS THIOETHYL GROUP
    35828 SCD
    ZINC000195757936    		 2 C26 H42 N7 O19 P3 InChI=1S/C26H42N7O19P3/c1
    -26(2,21(39)24(40)29-9-7-
    16(35)28-8-3-4-14(34)5-6-
    17(36)37)11-49-55(46,47)5
    2-54(44,45)48-10-15-20(51
    -53(41,42)43)19(38)25(50-
    15)33-13-32-18-22(27)30-1
    2-31-23(18)33/h12-13,15,1
    9-21,25,38-39H,3-11H2,1-2
    H3,(H,28,35)(H,29,40)(H,3
    6,37)(H,44,45)(H,46,47)(H
    2,27,30,31)(H2,41,42,43)/
    t15-,19-,20-,21+,25-/m1/s
    1;
    WPCFLGXXWJIJOV-ZMHDXICWSA-N    		 CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H
    ]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O
    )OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)
    CCC(=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)n
    2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCC
    C(=O)CCC(O)=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)NCCCC(=O)CCC(O)=O; CC(C)(COP(=O)
    (O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)
    O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCCC(=O)CCC
    (=O)O)O; O=C(O)CCC(=O)CCCNC(=O)CCNC(=O)C
    (O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cn
    c1c(ncnc12)N)C(O)C3OP(=O)(O)O    		 SUCCINYL(CARBADETHIA)-COENZYME A
    35829 SCE
    DB08533
    ZINC000003820150    		 1 C13 H13 N5 InChI=1S/C13H13N5/c1-10-8
    -17-13-12(15-6-7-18(10)13
    )16-9-11-2-4-14-5-3-11/h2
    -8H,9H2,1H3,(H,15,16);
    LXRVAGIYXNQOKP-UHFFFAOYSA-N    		 n1cc(n2ccnc(c12)NCc3ccncc3)C; Cc1cnc2n1c
    cnc2NCc3ccncc3    		 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
    35830 SCF
    DB08534    		 1 C18 H14 F N5 InChI=1S/C18H14FN5/c19-15
    -4-2-1-3-14(15)16-11-18(2
    4-17(23-16)7-10-22-24)21-
    12-13-5-8-20-9-6-13/h1-11
    ,21H,12H2;
    ZAIYYXVHGBMLEC-UHFFFAOYSA-N    		 Fc4ccccc4c2nc1ccnn1c(c2)NCc3ccncc3; Fc1c
    cccc1c2cc(NCc3ccncc3)n4nccc4n2; c1ccc(c(
    c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F    		 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
    35831 SCG
    CHEMBL1235867
    ZINC000004095728    		 4 C17 H24 O10 InChI=1S/C17H24O10/c1-3-8
    -9(4-5-18)10(15(23)24-2)7
    -25-16(8)27-17-14(22)13(2
    1)12(20)11(6-19)26-17/h3,
    5,7-9,11-14,16-17,19-22H,
    1,4,6H2,2H3/t8-,9+,11-,12
    -,13+,14-,16+,17+/m1/s1;
    CSKKDSFETGLMSB-NRZPKYKESA-N    		 COC(=O)C1=CO[CH](O[CH]2O[CH](CO)[CH](O)[
    CH](O)[CH]2O)[CH](C=C)[CH]1CC=O; COC(=O)
    C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O
    )O; COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO
    )[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@
    H]1CC=O; O=CCC2C(C(=O)OC)=COC(OC1OC(C(O)
    C(O)C1O)CO)C2\C=C; COC(=O)C1=CO[C@H]([C@
    @H]([C@@H]1CC=O)C=C)O[C@H]2[C@@H]([C@H](
    [C@@H]([C@H](O2)CO)O)O)O    		 Secologanin;
    METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-(2-OXOETHYL)-3-VINYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE
    35832 SCH
    DB02361    		 0 C4 H9 N O2 S2 InChI=1S/C4H9NO2S2/c1-8-9
    -2-3(5)4(6)7/h3H,2,5H2,1H
    3,(H,6,7)/t3-/m0/s1;
    PYFNLWPQPNXHCS-VKHMYHEASA-N    		 CSSC[C@@H](C(=O)O)N; CSSC[CH](N)C(O)=O;
    CSSC[C@H](N)C(O)=O; CSSCC(C(=O)O)N; O=C(
    O)C(N)CSSC    		 S-METHYL-THIO-CYSTEINE
    35833 SCI
    CHEMBL93247
    DB03953
    ZINC000003873047    		 2 C6 H13 N3 O2 S InChI=1S/C6H13N3O2S/c7-4(
    5(10)11)2-1-3-9-6(8)12/h4
    H,1-3,7H2,(H,10,11)(H3,8,
    9,12)/t4-/m0/s1;
    BKGWACHYAMTLAF-BYPYZUCNSA-N    		 N[CH](CCCN=C(N)S)C(O)=O; C(CC(C(=O)O)N)C
    N=C(N)S; C(C[C@@H](C(=O)O)N)C/N=C(/N)\S;
    O=C(O)C(N)CCC/N=C(\S)N; N[C@@H](CCCN=C(
    N)S)C(O)=O    		 L-THIOCITRULLINE
    35834 SCJ
    CHEMBL249530
    DB08535
    ZINC000028958699    		 1 C18 H14 Br N5 InChI=1S/C18H14BrN5/c19-1
    5-12-22-24-17(21-11-13-5-
    4-8-20-10-13)9-16(23-18(1
    5)24)14-6-2-1-3-7-14/h1-1
    0,12,21H,11H2;
    SMIZFGZXFDGISG-UHFFFAOYSA-N    		 c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4cccnc
    4; Brc1cnn2c(cc(nc12)c3ccccc3)NCc4cccnc4
    ; Brc1cnn2c(NCc3cccnc3)cc(nc12)c4ccccc4    		 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
    35835 SCK
    CHEMBL703
    DB00202
    ZINC000001530820    		 10 C14 H30 N2 O4 InChI=1S/C14H30N2O4/c1-15
    (2,3)9-11-19-13(17)7-8-14
    (18)20-12-10-16(4,5)6/h7-
    12H2,1-6H3/q+2;
    AXOIZCJOOAYSMI-UHFFFAOYSA-N    		 O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C
    ; C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C
    )C    		 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM);
    SUCCINYLDICHOLINE
    35836 SCL
    DB03667
    ZINC000002046853    		 1 C9 H9 N O4 InChI=1S/C9H9NO4/c1-6(11)
    14-10-9(13)7-4-2-3-5-8(7)
    12/h2-5,12H,1H3,(H,10,13);
    PCFWLDHLJWUGSU-UHFFFAOYSA-N    		 CC(=O)ONC(=O)c1ccccc1O; O=C(c1ccccc1O)NO
    C(=O)C    		 ACETIC ACID SALICYLOYL-AMINO-ESTER
    35837 SCM
    CHEMBL1167
    DB00919
    ZINC000053006806    		 8 C14 H24 N2 O7 InChI=1S/C14H24N2O7/c1-5-
    4-6(17)14(20)13(21-5)22-1
    2-10(19)7(15-2)9(18)8(16-
    3)11(12)23-14/h5,7-13,15-
    16,18-20H,4H2,1-3H3/t5-,7
    -,8+,9+,10+,11-,12-,13+,1
    4+/m1/s1;
    UNFWWIHTNXNPBV-WXKVUWSESA-N    		 CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O
    )[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O;
    CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC
    )O)O; C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@
    @H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)
    NC)O)NC)O)O; CN[CH]1[CH](O)[CH](NC)[CH]2
    O[C]3(O)[CH](O[CH](C)CC3=O)O[CH]2[CH]1O;
    O=C1C2(OC3C(NC)C(O)C(NC)C(O)C3OC2OC(C1)
    C)O    		 SPECTINOMYCIN;
    ACTINOSPECTACIN;
    ESPECTINOMICINA;
    CHX-3101
    35838 SCN 54 C N S InChI=1S/CHNS/c2-1-3/h3H/
    p-1;
    ZMZDMBWJUHKJPS-UHFFFAOYSA-M    		 C(#N)[S-]; [S-]C#N THIOCYANATE ION
    35839 SCO
    DB03905
    ZINC000195757410    		 1 C25 H41 N8 O19 P3 InChI=1S/C25H41N8O19P3/c1
    -25(2,20(39)23(40)29-6-5-
    15(35)28-8-7-27-14(34)3-4
    -16(36)37)10-49-55(46,47)
    52-54(44,45)48-9-13-19(51
    -53(41,42)43)18(38)24(50-
    13)33-12-32-17-21(26)30-1
    1-31-22(17)33/h11-13,18-2
    0,24,38-39H,3-10H2,1-2H3,
    (H,27,34)(H,28,35)(H,29,4
    0)(H,36,37)(H,44,45)(H,46
    ,47)(H2,26,30,31)(H2,41,4
    2,43)/t13-,18-,19-,20+,24
    -/m1/s1;
    WZEXTLJNSXEEHK-ITIYDSSPSA-N    		 CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]
    1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)
    OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)C
    CC(=O)O)O; O=C(O)CCC(=O)NCCNC(=O)CCNC(=O
    )C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2
    cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O; CC(C)(C
    OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2n
    cnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCNC(
    =O)CCC(=O)O)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)NCCNC(=O)CCC(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)ncnc23)[CH](O)C
    (=O)NCCC(=O)NCCNC(=O)CCC(O)=O    		 SUCCINAMIDE-COA
    35840 SCP 0 C11 H16 N3 O7 P InChI=1/C11H16N3O7P/c1-6-
    10(15)8(3-13-9-5-20-14-11
    (9)16)7(2-12-6)4-21-22(17
    ,18)19/h2,9,13,15H,3-5H2,
    1H3,(H,14,16)(H2,17,18,19
    )/t9-/m1/s1/f/h14,17-18H;
    NNRZSZJOQKAGTO-LUCJAKDJDF    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CONC2=O)O;
    Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H]2CONC2=O)
    c1O; Cc1ncc(CO[P](O)(O)=O)c(CN[CH]2CONC2
    =O)c1O; O=C2NOCC2NCc1c(cnc(c1O)C)COP(=O)
    (O)O    		 [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE;
    PYRIDOXYL-N,O-CYCLOSERYLAMIDE-5-MONOPHOSPHATE
    35841 SCQ
    DB08536
    ZINC000024930139    		 1 C18 H14 Br N5 InChI=1S/C18H14BrN5/c19-1
    6-11-23-24-17(16)6-15(14-
    4-2-1-3-5-14)7-18(24)22-1
    0-13-8-20-12-21-9-13/h1-9
    ,11-12,22H,10H2;
    IBUPHWYGVDAASU-UHFFFAOYSA-N    		 Brc1cnn2c1cc(cc2NCc3cncnc3)c4ccccc4; c1c
    cc(cc1)c2cc3c(cnn3c(c2)NCc4cncnc4)Br; Br
    c1cnn2c(NCc3cncnc3)cc(cc12)c4ccccc4    		 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
    35842 SCR 0 C12 H22 O35 S8 InChI=1S/C12H22O35S8/c13-
    48(14,15)37-1-4-6(43-51(2
    2,23)24)8(45-53(28,29)30)
    9(46-54(31,32)33)11(40-4)
    42-12(3-39-50(19,20)21)10
    (47-55(34,35)36)7(44-52(2
    5,26)27)5(41-12)2-38-49(1
    6,17)18/h4-11H,1-3H2,(H,1
    3,14,15)(H,16,17,18)(H,19
    ,20,21)(H,22,23,24)(H,25,
    26,27)(H,28,29,30)(H,31,3
    2,33)(H,34,35,36)/t4-,5-,
    6-,7-,8+,9-,10+,11-,12+/m
    1/s1;
    WEPNHBQBLCNOBB-UGDNZRGBSA-N    		 C(C1C(C(C(C(O1)OC2(C(C(C(O2)COS(=O)(=O)O
    )OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS
    (=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)
    (=O)O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H]
    (O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)
    (=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O
    )O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O
    S(=O)(=O)O; O=S(=O)(O)OC1C(OC(COS(=O)(=O
    )O)C(OS(=O)(=O)O)C1OS(=O)(=O)O)OC2(OC(C(
    OS(=O)(=O)O)C2OS(=O)(=O)O)COS(=O)(=O)O)C
    OS(=O)(=O)O; O[S](=O)(=O)OC[C@H]1O[C@H](
    O[C@]2(CO[S](O)(=O)=O)O[C@H](CO[S](O)(=O
    )=O)[C@@H](O[S](O)(=O)=O)[C@@H]2O[S](O)(
    =O)=O)[C@H](O[S](O)(=O)=O)[C@@H](O[S](O)
    (=O)=O)[C@@H]1O[S](O)(=O)=O; O[S](=O)(=O
    )OC[CH]1O[CH](O[C]2(CO[S](O)(=O)=O)O[CH]
    (CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]2
    O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH](O[
    S](O)(=O)=O)[CH]1O[S](O)(=O)=O    		 SUCROSE OCTASULFATE
    35843 SCS 0 C5 H11 N O2 S2 InChI=1S/C5H11NO2S2/c1-2-
    9-10-3-4(6)5(7)8/h4H,2-3,
    6H2,1H3,(H,7,8)/t4-/m0/s1;
    YIMFYOCZTDBZJL-BYPYZUCNSA-N    		 CCSSCC(C(=O)O)N; CCSSC[C@@H](C(=O)O)N; C
    CSSC[C@H](N)C(O)=O; O=C(O)C(N)CSSCC; CCS
    SC[CH](N)C(O)=O    		 3-(ethyldisulfanyl)-L-alanine
    35844 SCT
    DB02921
    ZINC000003802232    		 2 C12 H16 N2 O4 InChI=1S/C12H16N2O4/c1-6-
    4-14(11(18)13-10(6)17)12-
    2-8(12)7(5-15)9(16)3-12/h
    4,7-9,15-16H,2-3,5H2,1H3,
    (H,13,17,18)/t7-,8-,9-,12
    -/m0/s1;
    XRMLXZVSFIBRRJ-PEFMBERDSA-N    		 CC1=CN(C(=O)NC1=O)[C@]23C[C@H]2[C@@H]([C
    @H](C3)O)CO; CC1=CN(C(=O)NC1=O)[C@@]23C[
    C@H](O)[C@@H](CO)[C@@H]2C3; CC1=CN(C(=O)
    NC1=O)C23CC2C(C(C3)O)CO; O=C1C(=CN(C(=O)
    N1)C32C(C(CO)C(O)C2)C3)C; CC1=CN(C(=O)NC
    1=O)[C]23C[CH](O)[CH](CO)[CH]2C3    		 (SOUTH)-METHANOCARBA-THYMIDINE
    35845 SCU
    ZINC000038788902    		 2 C9 H18 N O3 InChI=1S/C9H18NO3/c1-10(2
    ,3)6-8-13-9(12)5-4-7-11/h
    7H,4-6,8H2,1-3H3/q+1;
    RIRQNBQBGSVENV-UHFFFAOYSA-N    		 O=CCCC(=O)OCC[N+](C)(C)C; C[N+](C)(C)CCO
    C(=O)CCC=O    		 N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUM;
    SUCCINYLMONOCHOLINE
    35846 SCV
    ZINC000015574721    		 3 C14 H22 N2 O8 S InChI=1S/C14H22N2O8S/c1-6
    (2)10(12(20)21)24-13(22)9
    (14(23)25)16-8(17)5-3-4-7
    (15)11(18)19/h6-7,9-10H,3
    -5,15H2,1-2H3,(H,16,17)(H
    ,18,19)(H,20,21)(H,23,25)
    /t7-,9+,10+/m0/s1;
    INECXHJFYVKZHW-FXBDTBDDSA-N    		 O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)
    N)C(=O)S; CC(C)C(C(=O)O)OC(=O)C(C(=O)S)N
    C(=O)CCCC(C(=O)O)N; CC(C)[C@H](C(=O)O)OC
    (=O)[C@H](C(=O)S)NC(=O)CCC[C@@H](C(=O)O)
    N; CC(C)[C@@H](OC(=O)[C@@H](NC(=O)CCC[C@
    H](N)C(O)=O)C(S)=O)C(O)=O; CC(C)[CH](OC(
    =O)[CH](NC(=O)CCC[CH](N)C(O)=O)C(S)=O)C(
    O)=O    		 N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE;
    L-D-(A-AMINOADIPOYL)-L-(B-OXO)-CYSTEINE
    35847 SCW
    DB08537
    ZINC000003820146    		 1 C18 H14 Br N5 InChI=1S/C18H14BrN5/c19-1
    7-10-23-18-16(22-9-13-7-2
    0-12-21-8-13)6-15(11-24(1
    7)18)14-4-2-1-3-5-14/h1-8
    ,10-12,22H,9H2;
    LZLKFNBMXXLTLX-UHFFFAOYSA-N    		 Brc1cnc2c(cc(cn12)c3ccccc3)NCc4cncnc4; B
    rc1cnc2n1cc(cc2NCc3cncnc3)c4ccccc4; c1cc
    c(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4    		 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
    35848 SCX
    DB08538
    ZINC000033295984    		 1 C19 H17 F2 N7 InChI=1S/C19H17F2N7/c1-2-
    12-10-26-28-16(23-7-11-8-
    24-19(22)25-9-11)6-15(27-
    18(12)28)17-13(20)4-3-5-1
    4(17)21/h3-6,8-10,23H,2,7
    H2,1H3,(H2,22,24,25);
    HQPVGVSQPQVZLD-UHFFFAOYSA-N    		 Fc4cccc(F)c4c1nc3c(cnn3c(c1)NCc2cnc(nc2)
    N)CC; CCc1cnn2c(NCc3cnc(N)nc3)cc(nc12)c4
    c(F)cccc4F; CCc1cnn2c1nc(cc2NCc3cnc(nc3)
    N)c4c(cccc4F)F    		 N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
    35849 SCY
    DB02039    		 0 C5 H9 N O3 S InChI=1S/C5H9NO3S/c1-3(7)
    10-2-4(6)5(8)9/h4H,2,6H2,
    1H3,(H,8,9)/t4-/m0/s1;
    XCIRMLHOFVDUDP-BYPYZUCNSA-N    		 CC(=O)SC[C@H](N)C(O)=O; O=C(O)C(N)CSC(=O
    )C; CC(=O)SC[CH](N)C(O)=O; CC(=O)SCC(C(=
    O)O)N; CC(=O)SC[C@@H](C(=O)O)N    		 S-ACETYL-CYSTEINE
    35850 SCZ
    CHEMBL249736
    DB08539
    ZINC000028958727    		 1 C21 H19 N5 InChI=1S/C21H19N5/c1-2-6-
    17(7-3-1)19-11-20(23-13-1
    5-5-4-10-22-12-15)26-21(2
    5-19)18(14-24-26)16-8-9-1
    6/h1-7,10-12,14,16,23H,8-
    9,13H2;
    CCDIUVLNHCGSMH-UHFFFAOYSA-N    		 c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cc
    cnc5; C1CC1c2cnn3c(NCc4cccnc4)cc(nc23)c5
    ccccc5; n1c(cc(n2ncc(c12)C3CC3)NCc4cccnc
    4)c5ccccc5    		 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
    35851 SD0 0 C13 H20 B N2 O6 InChI=1S/C13H20BN2O6/c15-
    11(12(18)19)5-9-1-3-10(4-
    2-9)14(20)21-7-13(16,6-17
    )8-22-14/h1-4,11,17,20H,5
    -8,15-16H2,(H,18,19)/q-1/
    t11-,13-,14+/m0/s1;
    ODSWUTOGRMJOFF-FPMFFAJLSA-N    		 [B-]1(OCC(CO1)(CO)N)(c2ccc(cc2)C[C@@H](C
    (=O)O)N)O; [B-]1(OCC(CO1)(CO)N)(c2ccc(cc
    2)CC(C(=O)O)N)O; N[CH](Cc1ccc(cc1)[B-]2(
    O)OCC(N)(CO)CO2)C(O)=O; N[C@@H](Cc1ccc(c
    c1)[B-]2(O)OCC(N)(CO)CO2)C(O)=O    		 (S)-5-amino-2-(4-(2-amino-2-carboxyethyl)phenyl)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborinan-2-uide;
    (2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-$l^{3}-oxidanyl-1,3,2$l^{4}-dioxaborinan-2-yl]phenyl]propanal
    35852 SD1
    CHEMBL562990
    ZINC000036487671    		 1 C27 H31 N3 O5 InChI=1S/C27H31N3O5/c1-15
    -9-19-21(13-27(2,3)14-22(
    19)31)30(15)17-7-8-18(26(
    28)32)20(12-17)29-16-10-2
    3(33-4)25(35-6)24(11-16)3
    4-5/h7-12,29H,13-14H2,1-6
    H3,(H2,28,32);
    ONWOLFRMYZHLEQ-UHFFFAOYSA-N    		 Cc1cc2c(n1c3ccc(c(c3)Nc4cc(c(c(c4)OC)OC)
    OC)C(=O)N)CC(CC2=O)(C)C; COc1cc(Nc2cc(cc
    c2C(N)=O)n3c(C)cc4C(=O)CC(C)(C)Cc34)cc(O
    C)c1OC; O=C(N)c2ccc(cc2Nc1cc(OC)c(OC)c(O
    C)c1)n4c(cc3C(=O)CC(Cc34)(C)C)C    		 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
    35853 SD2
    DB01883
    ZINC000033821516    		 2 C21 H30 N4 O5 S2 InChI=1S/C21H30N4O5S2/c1-
    32-10-8-15(19(22)28)24-20
    (29)17-3-2-9-25(17)21(30)
    16(23-18(27)12-31)11-13-4
    -6-14(26)7-5-13/h4-7,15-1
    7,26,31H,2-3,8-12H2,1H3,(
    H2,22,28)(H,23,27)(H,24,2
    9)/t15-,16-,17-/m0/s1;
    LNLWXWOYQHAKTD-ULQDDVLXSA-N    		 CSCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O
    )[C@H](Cc2ccc(cc2)O)NC(=O)CS; CSCCC(C(=O
    )N)NC(=O)C1CCCN1C(=O)C(Cc2ccc(cc2)O)NC(=
    O)CS; O=C(NC(C(=O)N)CCSC)C2N(C(=O)C(NC(=
    O)CS)Cc1ccc(O)cc1)CCC2; CSCC[CH](NC(=O)[
    CH]1CCCN1C(=O)[CH](Cc2ccc(O)cc2)NC(=O)CS
    )C(N)=O; CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=
    O)[C@H](Cc2ccc(O)cc2)NC(=O)CS)C(N)=O    		 N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDE
    35854 SD3
    CHEMBL413963
    ZINC000002010556    		 0 C4 H8 N2 O4 InChI=1S/C4H8N2O4/c5-2(4(
    8)9)1-3(7)6-10/h2,10H,1,5
    H2,(H,6,7)(H,8,9)/t2-/m1/
    s1;
    ZBYVTTSIVDYQSO-UWTATZPHSA-N    		 C([C@H](C(=O)O)N)C(=O)NO; N[CH](CC(=O)NO
    )C(O)=O; C(C(C(=O)O)N)C(=O)NO; N[C@H](CC
    (=O)NO)C(O)=O    		 N-hydroxy-D-asparagine
    35855 SD4
    CHEMBL63902
    ZINC000002545150    		 2 C4 H8 N2 O4 InChI=1S/C4H8N2O4/c5-2(4(
    8)9)1-3(7)6-10/h2,10H,1,5
    H2,(H,6,7)(H,8,9)/t2-/m0/
    s1;
    ZBYVTTSIVDYQSO-REOHCLBHSA-N    		 N[CH](CC(=O)NO)C(O)=O; N[C@@H](CC(=O)NO)
    C(O)=O; C(C(C(=O)O)N)C(=O)NO; C([C@@H](C
    (=O)O)N)C(=O)NO    		 N-hydroxy-L-asparagine
    35856 SD5
    CHEMBL2017974
    DB11666
    ZINC000043154039    		 3 C18 H21 F3 N6 O2 InChI=1S/C18H21F3N6O2/c19
    -18(20,21)13-9-15(22)23-1
    1-12(13)14-10-16(26-1-5-2
    8-6-2-26)25-17(24-14)27-3
    -7-29-8-4-27/h9-11H,1-8H2
    ,(H2,22,23);
    CWHUFRVAEUJCEF-UHFFFAOYSA-N    		 c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4
    )C(F)(F)F; Nc1cc(c(cn1)c2cc(nc(n2)N3CCOC
    C3)N4CCOCC4)C(F)(F)F; FC(F)(F)c1cc(ncc1c
    3nc(nc(N2CCOCC2)c3)N4CCOCC4)N    		 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
    35857 SD6 1 C25 H44 N3 O8 S InChI=1S/C25H43N3O8S/c1-1
    5(2)10-20(28-25(32)36-14-
    19-12-18(19)11-16-6-4-3-5
    -7-16)23(30)27-21(24(31)3
    7(33,34)35)13-17-8-9-26-2
    2(17)29/h15-21,24,31H,3-1
    4H2,1-2H3,(H4-,26,27,28,2
    9,30,32,33,34,35)/p+1/t17
    -,18+,19-,20-,21-,24+/m0/
    s1;
    PBWNADCYPGWHEB-UEYTUVLBSA-O    		 CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)
    C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(
    O)=O; CC(C)C[C@H](NC(=O)OC[C@@H]1C[C@H]1
    CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[
    C@H](O)[S+](O)(O)=O; CC(C)CC(C(=O)NC(CC1
    CCNC1=O)C(O)[S+](=O)(O)O)NC(=O)OCC2CC2CC
    3CCCCC3; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@
    H]1CCNC1=O)[C@H](O)[S+](=O)(O)O)NC(=O)OC
    [C@@H]2C[C@H]2CC3CCCCC3    		 [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    35858 SD7 1 C14 H19 N3 O S InChI=1S/C14H19N3OS/c1-8(
    7-15)5-9-3-4-11(18-2)13-1
    0(9)6-12(19-13)14(16)17/h
    3-4,6,8H,5,7,15H2,1-2H3,(
    H3,16,17)/t8-/m0/s1;
    HWNLBEKYMLWJTF-QMMMGPOBSA-N    		 COc1ccc(C[CH](C)CN)c2cc(sc12)C(N)=N; CC(
    Cc1ccc(c2c1cc(s2)C(=N)N)OC)CN; [H]/N=C(\
    c1cc2c(ccc(c2s1)OC)C[C@H](C)CN)/N; COc1c
    cc(C[C@H](C)CN)c2cc(sc12)C(N)=N    		 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide
    35859 SD8
    DB08540
    ZINC000003874949    		 1 C18 H20 N4 O2 S2 InChI=1S/C18H20N4O2S2/c1-
    2-24-17(23)14-11-26-18(20
    -14)22-9-7-21(8-10-22)16-
    12-25-15-6-4-3-5-13(15)19
    -16/h3-6,11H,2,7-10,12H2,
    1H3;
    AQJQFCRTSWIUCY-UHFFFAOYSA-N    		 O=C(OCC)c1nc(sc1)N4CCN(C2=Nc3c(SC2)cccc3
    )CC4; CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4c
    cccc4SC3    		 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER;
    SDZ 880-061
    35860 SD9 1 C10 H16 N6 S InChI=1S/C10H16N6S/c1-8-9
    (16-7-15-8)5-17-4-3-13-10
    (12-2)14-6-11/h7H,3-5H2,1
    -2H3,(H,15,16)(H2,12,13,1
    4);
    AQIXAKUUQRKLND-UHFFFAOYSA-N    		 CNC(NCCSCc1nc[nH]c1C)=NC#N; Cc1c(nc[nH]1
    )CSCCN/C(=N\C#N)/NC; Cc1c(nc[nH]1)CSCCNC
    (=NC#N)NC    		 2-cyano-1-methyl-3-[2-[(5-methyl-1~{H}-imidazol-4-yl)methylsulfanyl]ethyl]guanidine;
    cimetidine
    35861 SDA
    CHEMBL70020
    ZINC000001255236    		 1 C6 H6 Cl2 N2 O2 S InChI=1S/C6H6Cl2N2O2S/c7-
    4-1-3(13(10,11)12)2-5(8)6
    (4)9/h1-2H,9H2,(H2,10,11,
    12);
    DVZMRTJKNJKEGV-UHFFFAOYSA-N    		 c1c(cc(c(c1Cl)N)Cl)S(=O)(=O)N; Nc1c(Cl)c
    c(cc1Cl)[S](N)(=O)=O; Clc1cc(cc(Cl)c1N)S
    (=O)(=O)N    		 4-AMINO-3,5-DICHLOROBENZENESULFONAMIDE
    35862 SDB 0 C7 H13 N3 O3 InChI=1S/C7H13N3O3/c8-4(3
    -11)6-9-2-1-5(10-6)7(12)1
    3/h4-5,11H,1-3,8H2,(H,9,1
    0)(H,12,13)/t4-,5+/m1/s1;
    VUUJBNDKGSHBPM-UHNVWZDZSA-N    		 N[CH](CO)C1=NCC[CH](N1)C(O)=O; O=C(O)C1N
    C(=NCC1)C(N)CO; C1CN=C(NC1C(=O)O)C(CO)N;
    C1CN=C(N[C@@H]1C(=O)O)[C@@H](CO)N; N[C@
    H](CO)C1=NCC[C@H](N1)C(O)=O    		 (4S)-2-[(1S)-1-amino-2-hydroxyethyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
    35863 SDC
    DB02689
    ZINC000005828870    		 3 C5 H12 N2 O4 S2 InChI=1S/C5H12N2O4S2/c6-4
    (5(8)9)3-12-1-2-13(7,10)1
    1/h4H,1-3,6H2,(H,8,9)(H2,
    7,10,11)/t4-/m0/s1;
    ZRCBQBJBRHIRRG-BYPYZUCNSA-N    		 C(CS(=O)(=O)N)SCC(C(=O)O)N; C(CS(=O)(=O)
    N)SC[C@@H](C(=O)O)N; N[CH](CSCC[S](N)(=O
    )=O)C(O)=O; O=S(=O)(N)CCSCC(N)C(=O)O; N[
    C@@H](CSCC[S](N)(=O)=O)C(O)=O    		 S-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINE
    35864 SDD
    ZINC000005131991    		 8 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h3,5-
    9,11-12H,1-2H2/t3-,5+,6+/
    m1/s1;
    BJHIKXHVCXFQLS-PYWDMBMJSA-N    		 O=C(C(O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O
    )O)O)O; C([C@H]([C@@H]([C@H](C(=O)CO)O)O
    )O)O; OC[CH](O)[CH](O)[CH](O)C(=O)CO; OC
    [C@@H](O)[C@H](O)[C@@H](O)C(=O)CO    		 D-sorbose
    35865 SDE
    ZINC000098209394    		 0 C14 H22 N5 O8 P InChI=1S/C14H22N5O8P/c20-
    7-1-11(27-10(7)4-26-28(23
    ,24)25)19-6-17-12-13(15-5
    -16-14(12)19)18-2-8(21)9(
    22)3-18/h5-11,20-25,28H,1
    -4H2/t7-,8-,9-,10+,11+/m0
    /s1;
    AFIPVZHEZSDVQA-LADJIXMOSA-N    		 O[CH]1C[CH](O[CH]1CO[PH](O)(O)O)n2cnc3c(
    ncnc23)N4C[CH](O)[CH](O)C4; c1nc2c(c(n1)
    N3CC(C(C3)O)O)ncn2C4CC(C(O4)COP(O)(O)O)O
    ; O[C@H]1C[C@@H](O[C@@H]1CO[PH](O)(O)O)n
    2cnc3c(ncnc23)N4C[C@H](O)[C@@H](O)C4; c1
    nc2c(c(n1)N3C[C@@H]([C@H](C3)O)O)ncn2[C@
    H]4C[C@@H]([C@H](O4)COP(O)(O)O)O; n3c1c(
    ncnc1N2CC(O)C(O)C2)n(c3)C4OC(C(O)C4)COP(
    O)(O)O    		 (S,S)-N6,N6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
    35866 SDF
    ZINC000051197256    		 1 C7 H7 Cl2 O3 P S InChI=1S/C7H7Cl2O3PS/c8-4
    -1-2-5(6(9)3-4)7(14)13(10
    ,11)12/h1-3,7,14H,(H2,10,
    11,12)/t7-/m1/s1;
    WJVBVZOYOCLGPI-SSDOTTSWSA-N    		 c1cc(c(cc1Cl)Cl)C(P(=O)(O)O)S; Clc1cc(Cl
    )ccc1C(S)P(=O)(O)O; O[P](O)(=O)[C@H](S)c
    1ccc(Cl)cc1Cl; O[P](O)(=O)[CH](S)c1ccc(C
    l)cc1Cl    		 [(R)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid;
    alpha-Sulfanyl(2,4-dichlorobenzyl)phosphonic acid
    35867 SDG 0 C10 H14 N5 O6 P Se InChI=1S/C10H14N5O6PSe/c1
    1-10-13-8-7(9(23)14-10)12
    -3-15(8)6-1-4(16)5(21-6)2
    -20-22(17,18)19/h3-6,16H,
    1-2H2,(H2,17,18,19)(H3,11
    ,13,14,23)/t4-,5+,6+/m0/s
    1;
    RNSTWFSCXYEWJZ-KVQBGUIXSA-N    		 Nc1nc([SeH])c2ncn([CH]3C[CH](O)[CH](CO[P
    ](O)(O)=O)O3)c2n1; c1nc2c(n1[C@H]3C[C@@H
    ]([C@H](O3)COP(=O)(O)O)O)nc(nc2[SeH])N;
    Nc1nc([SeH])c2ncn([C@H]3C[C@H](O)[C@@H](
    CO[P](O)(O)=O)O3)c2n1; c1nc2c(n1C3CC(C(O
    3)COP(=O)(O)O)O)nc(nc2[SeH])N; O=P(O)(O)
    OCC3OC(n2cnc1c([SeH])nc(nc12)N)CC3O    		 2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purine-6-selenol
    35868 SDH
    ZINC000098209395    		 0 C10 H16 N5 O9 P InChI=1S/C10H16N5O9P/c11-
    8-12-6(17)10(14-8)7(18)13
    -9(19)15(10)5-1-3(16)4(24
    -5)2-23-25(20,21)22/h3-5,
    16,20-22,25H,1-2H2,(H,13,
    18,19)(H3,11,12,14,17)/t3
    -,4+,5+,10+/m0/s1;
    BTPRAWLYZNCXOI-XPCBYELVSA-N    		 C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]
    23C(=O)N=C(N3)N)COP(O)(O)O)O; NC1=NC(=O)
    [C]2(N1)N([CH]3C[CH](O)[CH](CO[PH](O)(O)
    O)O3)C(=O)NC2=O; NC1=NC(=O)[C@@]2(N1)N([
    C@H]3C[C@H](O)[C@@H](CO[PH](O)(O)O)O3)C(
    =O)NC2=O; C1C(C(OC1N2C(=O)NC(=O)C23C(=O)
    N=C(N3)N)COP(O)(O)O)O; O=C2NC(=O)N(C21NC
    (=NC1=O)N)C3OC(C(O)C3)COP(O)(O)O    		 (5S)-7-amino-1-[2-deoxy-5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione
    35869 SDJ
    ZINC000584905670    		 2 C25 H35 N5 O2 InChI=1S/C25H35N5O2/c31-1
    7-23(13-22-14-26-18-29-22
    )28-15-24-12-19-6-4-5-7-2
    0(19)16-30(24)25(32)10-11
    -27-21-8-2-1-3-9-21/h1-3,
    8-9,14,17-20,23-24,27-28H
    ,4-7,10-13,15-16H2,(H,26,
    29)/t19-,20-,23+,24+/m1/s
    1;
    HCMRRQNNHUOUJM-CHOVIJNXSA-N    		 c1ccc(cc1)NCCC(=O)N2C[C@H]3CCCC[C@@H]3C[
    C@H]2CN[C@@H](Cc4cnc[nH]4)C=O; O=C[C@H](
    Cc1[nH]cnc1)NC[C@@H]2C[C@H]3CCCC[C@@H]3C
    N2C(=O)CCNc4ccccc4; O=C(N3C(CNC(C=O)Cc1n
    cnc1)CC2CCCCC2C3)CCNc4ccccc4; c1ccc(cc1)
    NCCC(=O)N2CC3CCCCC3CC2CNC(Cc4cnc[nH]4)C=
    O; O=C[CH](Cc1[nH]cnc1)NC[CH]2C[CH]3CCCC
    [CH]3CN2C(=O)CCNc4ccccc4    		 (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
    35870 SDK
    CHEMBL281540
    ZINC000028771534    		 1 C31 H42 N4 O7 InChI=1S/C31H42N4O7/c1-21
    (2)15-26(34-30(39)41-19-2
    3-11-7-5-8-12-23)28(37)32
    -17-25(36)18-33-29(38)27(
    16-22(3)4)35-31(40)42-20-
    24-13-9-6-10-14-24/h5-14,
    21-22,26-27H,15-20H2,1-4H
    3,(H,32,37)(H,33,38)(H,34
    ,39)(H,35,40)/t26-,27-/m0
    /s1;
    APGQPPIXNOCMOK-SVBPBHIXSA-N    		 CC(C)CC(C(=O)NCC(=O)CNC(=O)C(CC(C)C)NC(=
    O)OCc1ccccc1)NC(=O)OCc2ccccc2; O=C(OCc1c
    cccc1)NC(C(=O)NCC(=O)CNC(=O)C(NC(=O)OCc2
    ccccc2)CC(C)C)CC(C)C; CC(C)C[C@@H](C(=O)
    NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc
    cc1)NC(=O)OCc2ccccc2; CC(C)C[CH](NC(=O)O
    Cc1ccccc1)C(=O)NCC(=O)CNC(=O)[CH](CC(C)C
    )NC(=O)OCc2ccccc2; CC(C)C[C@H](NC(=O)OCc
    1ccccc1)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)
    NC(=O)OCc2ccccc2    		 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE;
    SYMMETRIC DIACYLAMINOETHYL KETONE
    35871 SDL
    CHEMBL292008
    DB17589
    ZINC000004674533    		 4 C13 H17 N5 O6 InChI=1S/C13H17N5O6/c1-2-
    3-17-6-9(15-12(14)16-10(6
    )22)18(13(17)23)11-8(21)7
    (20)5(4-19)24-11/h2,5,7-8
    ,11,19-21H,1,3-4H2,(H3,14
    ,15,16,22)/t5-,7-,8-,11-/
    m1/s1;
    VDCRFBBZFHHYGT-IOSLPCCCSA-N    		 NC1=NC2=C(N(CC=C)C(=O)N2[C@@H]3O[C@H](CO
    )[C@@H](O)[C@H]3O)C(=O)N1; C=CCN1C2=C(N=
    C(NC2=O)N)N(C1=O)C3C(C(C(O3)CO)O)O; NC1=
    NC2=C(N(CC=C)C(=O)N2[CH]3O[CH](CO)[CH](O
    )[CH]3O)C(=O)N1; C=CCN1C2=C(N=C(NC2=O)N)
    N(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O
    )O    		 2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{H}-purine-6,8-dione;
    Loxoribine
    35872 SDM 1 C11 H12 N2 O S InChI=1S/C11H12N2OS/c1-2-
    14-8-4-3-5-9-7(8)6-10(15-
    9)11(12)13/h3-6H,2H2,1H3,
    (H3,12,13);
    LOIXMYZGPMLLIW-UHFFFAOYSA-N    		 N=C(N)c1cc2c(cccc2s1)OCC; CCOc1cccc2c1cc
    (s2)C(=N)N; [H]/N=C(\c1cc2c(cccc2s1)OCC)
    /N; CCOc1cccc2sc(cc12)C(N)=N    		 4-ethoxy-1-benzothiophene-2-carboximidamide
    35873 SDN
    DB08541
    ZINC000024960091    		 4 C16 H14 O5 InChI=1S/C16H14O5/c1-8-14
    -10(6-11(21-8)7-13(18)19)
    5-9-3-2-4-12(17)15(9)16(1
    4)20/h2-5,11,17H,6-7H2,1H
    3,(H,18,19)/t11-/m0/s1;
    HHXSOTFPYPQSBU-NSHDSACASA-N    		 CC1=C2C(=Cc3cccc(O)c3C2=O)C[C@@H](CC(O)=
    O)O1; O=C2c1c(O)cccc1C=C3C2=C(OC(C3)CC(=
    O)O)C; CC1=C2C(=Cc3cccc(c3C2=O)O)CC(O1)C
    C(=O)O; CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H]
    (O1)CC(=O)O; CC1=C2C(=Cc3cccc(O)c3C2=O)C
    [CH](CC(O)=O)O1    		 [(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid;
    4,10-dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho-[2,3-c]-pyran-3-(S)-acetic acid
    35874 SDO
    ZINC000263621070    		 1 C19 H35 N2 O8 P S InChI=1S/C19H35N2O8PS/c1-
    14(22)5-4-6-15(23)8-11-31
    -12-10-20-16(24)7-9-21-18
    (26)17(25)19(2,3)13-29-30
    (27)28/h17,25,27-28H,4-13
    H2,1-3H3,(H,20,24)(H,21,2
    6)/t17-/m1/s1;
    TUVOCCHXVSLSRA-QGZVFWFLSA-N    		 CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C
    (C)(C)COP(O)O)O; O=C(NCCSCCC(=O)CCCC(=O)
    C)CCNC(=O)C(O)C(C)(C)COP(O)O; CC(=O)CCCC
    (=O)CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)COP
    (O)O; CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[
    C@@H](O)C(C)(C)COP(O)O; CC(=O)CCCC(=O)CC
    SCCNC(=O)CCNC(=O)C(C(C)(C)COP(O)O)O    		 N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide
    35875 SDP
    DB02364
    ZINC000006595392    		 0 C7 H16 N O6 P InChI=1S/C7H16NO6P/c1-3-1
    2-15(11,13-4-2)14-5-6(8)7
    (9)10/h6H,3-5,8H2,1-2H3,(
    H,9,10)/t6-/m0/s1;
    MOFCKRBDMJNCOC-LURJTMIESA-N    		 CCO[P](=O)(OCC)OC[C@H](N)C(O)=O; O=C(O)C
    (N)COP(=O)(OCC)OCC; CCO[P](=O)(OCC)OC[CH
    ](N)C(O)=O; CCOP(=O)(OCC)OCC(C(=O)O)N; C
    COP(=O)(OCC)OC[C@@H](C(=O)O)N    		 2-AMINO-3-(DIETHOXY-PHOSPHORYLOXY)-PROPIONIC ACID
    35876 SDQ
    CHEMBL1224557
    ZINC000003873647    		 1 C7 H8 S InChI=1S/C7H8S/c8-6-7-4-2
    -1-3-5-7/h1-5,8H,6H2;
    UENWRTRMUIOCKN-UHFFFAOYSA-N    		 c1ccc(cc1)CS; SCc1ccccc1 phenylmethanethiol
    35877 SDR
    ZINC000073198981    		 2 C15 H26 N2 O6 InChI=1S/C15H26N2O6/c1-3-
    4-5-6-7-8-11(15(22)23)17-
    14(21)12(9-13(19)20)16-10
    (2)18/h11-12H,3-9H2,1-2H3
    ,(H,16,18)(H,17,21)(H,19,
    20)(H,22,23)/t11-,12-/m0/
    s1;
    IRKQLRPKWIMPEM-RYUDHWBXSA-N    		 CCCCCCCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C;
    CCCCCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)
    O)NC(=O)C; CCCCCCC[CH](NC(=O)[CH](CC(O)=
    O)NC(C)=O)C(O)=O; CCCCCCC[C@H](NC(=O)[C@
    H](CC(O)=O)NC(C)=O)C(O)=O; O=C(NC(C(=O)O
    )CCCCCCC)C(NC(=O)C)CC(=O)O    		 (2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid
    35878 SDS
    CHEMBL1204779
    DB03967
    ZINC000001532179    		 26 C12 H26 O4 S InChI=1S/C12H26O4S/c1-2-3
    -4-5-6-7-8-9-10-11-12-16-
    17(13,14)15/h2-12H2,1H3,(
    H,13,14,15);
    MOTZDAYCYVMXPC-UHFFFAOYSA-N    		 CCCCCCCCCCCCO[S](O)(=O)=O; CCCCCCCCCCCCO
    S(=O)(=O)O; O=S(=O)(OCCCCCCCCCCCC)O    		 DODECYL SULFATE
    35879 SDT
    DB08542    		 2 C19 H24 O4 InChI=1S/C19H24O4/c1-11-3
    -7-16(21)18(23)12(11)4-5-
    13-14-6-8-17(22)19(14,2)1
    0-9-15(13)20/h3,7,13-14,2
    1,23H,4-6,8-10H2,1-2H3/t1
    3-,14-,19-/m0/s1;
    YUHVBHDSVLKFNI-NJSLBKSFSA-N    		 Cc1ccc(O)c(O)c1CC[C@H]2[C@@H]3CCC(=O)[C@
    @]3(C)CCC2=O; Cc1ccc(O)c(O)c1CC[CH]2[CH]
    3CCC(=O)[C]3(C)CCC2=O; O=C3C(CCc1c(ccc(O
    )c1O)C)C2C(C(=O)CC2)(CC3)C; Cc1ccc(c(c1C
    C[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C)O)O;
    Cc1ccc(c(c1CCC2C3CCC(=O)C3(CCC2=O)C)O)O    		 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione;
    3,4-dhsa
    35880 SDU 1 C18 H28 N8 O5 InChI=1S/C18H28N8O5/c19-1
    0(18(29)30)2-4-25(9-1-3-2
    1-5-9)6-11-13(27)14(28)17
    (31-11)26-8-24-12-15(20)2
    2-7-23-16(12)26/h7-11,13-
    14,17,21,27-28H,1-6,19H2,
    (H,29,30)(H2,20,22,23)/t9
    -,10-,11+,13+,14+,17+/m0/
    s1;
    TZJIJYUFASCLJJ-GTAFEMJLSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O
    )O)N)C4CCNC4)O)O)N; N[C@@H](CCN(C[C@H]1O
    [C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)
    [C@H]4CCNC4)C(O)=O; N[CH](CCN(C[CH]1O[CH
    ]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH]4CC
    NC4)C(O)=O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@
    H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)
    [C@H]4CCNC4)O)O)N    		 (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{S})-pyrrolidin-3-yl]amino]-2-azanyl-butanoic acid
    35881 SDV 1 C21 H17 F N4 O2 InChI=1S/C21H17FN4O2/c22-
    15-7-2-4-10-19(15)26-18-1
    1-5-9-16(14(18)12-23-26)2
    4-21(27)20-13-6-1-3-8-17(
    13)25-28-20/h1-4,6-8,10,1
    2,16H,5,9,11H2,(H,24,27)/
    t16-/m1/s1;
    KVYFUACEMBMTLM-MRXNPFEDSA-N    		 c1ccc2c(c1)c(on2)C(=O)N[C@@H]3CCCc4c3cnn
    4c5ccccc5F; Fc1ccccc1n2ncc3[CH](CCCc23)N
    C(=O)c4onc5ccccc45; c1ccc2c(c1)c(on2)C(=
    O)NC3CCCc4c3cnn4c5ccccc5F; Fc1ccccc1n2nc
    c3[C@@H](CCCc23)NC(=O)c4onc5ccccc45    		 N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1-benzoxazole-3-carboxamide
    35882 SDW 2 C17 H14 I N3 InChI=1S/C17H14IN3/c18-12
    -7-9-13(10-8-12)19-17-14-
    3-1-2-4-15(14)20-16(21-17
    )11-5-6-11/h1-4,7-11H,5-6
    H2,(H,19,20,21);
    JENOGSHDNMPWIS-UHFFFAOYSA-N    		 Ic1ccc(Nc2nc(nc3ccccc23)C4CC4)cc1; c1ccc
    2c(c1)c(nc(n2)C3CC3)Nc4ccc(cc4)I    		 2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine
    35883 SDX
    ZINC000263620588    		 8 C28 H46 N7 O22 P3 InChI=1S/C28H46N7O22P3/c1
    -27(2,21(41)24(42)31-7-5-
    16(37)30-6-3-4-14(36)8-28
    (45,26(43)44)9-17(38)39)1
    1-54-60(51,52)57-59(49,50
    )53-10-15-20(56-58(46,47)
    48)19(40)25(55-15)35-13-3
    4-18-22(29)32-12-33-23(18
    )35/h12-13,15,19-21,24-25
    ,31,40-42,45H,3-11H2,1-2H
    3,(H,30,37)(H,38,39)(H,43
    ,44)(H,49,50)(H,51,52)(H2
    ,29,32,33)(H2,46,47,48)/t
    15-,19-,20-,21+,24+,25-,2
    8-/m1/s1;
    JCKIRWYQPYQCEC-LWCHDFGBSA-N    		 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)n2cnc3
    c(N)ncnc23)[C@@H](O)[C@H](O)NCCC(=O)NCCC
    C(=O)C[C@@](O)(CC(O)=O)C(O)=O; O=C(O)C(O
    )(CC(=O)O)CC(=O)CCCNC(=O)CCNC(O)C(O)C(C)
    (C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncn
    c12)N)C(O)C3OP(=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)ncnc23)[CH](O)[CH](
    O)NCCC(=O)NCCCC(=O)C[C](O)(CC(O)=O)C(O)=
    O; CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1
    )n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(NCCC(=O
    )NCCCC(=O)CC(CC(=O)O)(C(=O)O)O)O)O; CC(C
    )(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C
    @H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(
    =O)(O)O)[C@H]([C@@H](NCCC(=O)NCCCC(=O)C[
    C@@](CC(=O)O)(C(=O)O)O)O)O    		 s-citryldethia Coenzyme A
    35884 SDY
    ZINC000003830678    		 3 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3+,4+,5+,6-/m
    1/s1;
    WQZGKKKJIJFFOK-QBFJYBIGSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)O; OC[CH]1O[CH](O
    )[CH](O)[CH](O)[CH]1O; OC[C@H]1O[C@@H](O
    )[C@@H](O)[C@@H](O)[C@H]1O; C([C@@H]1[C@
    @H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O    		 beta-D-talopyranose;
    beta-D-talose;
    D-talose;
    talose;
    beta-D-talopyranosose
    35885 SDZ
    DB08543
    ZINC000031356524    		 1 C24 H33 N3 O2 InChI=1S/C24H33N3O2/c28-2
    2(18-26-14-16-27(17-15-26
    )24-8-4-5-13-25-24)19-29-
    23-11-9-21(10-12-23)20-6-
    2-1-3-7-20/h4-5,8-13,20,2
    2,28H,1-3,6-7,14-19H2/t22
    -/m0/s1;
    BZJHCQBNFUNZPJ-QFIPXVFZSA-N    		 c1ccnc(c1)N2CCN(CC2)C[C@@H](COc3ccc(cc3)
    C4CCCCC4)O; OC(CN2CCN(c1ncccc1)CC2)COc3c
    cc(cc3)C4CCCCC4; c1ccnc(c1)N2CCN(CC2)CC(
    COc3ccc(cc3)C4CCCCC4)O; O[CH](COc1ccc(cc
    1)C2CCCCC2)CN3CCN(CC3)c4ccccn4; O[C@H](C
    Oc1ccc(cc1)C2CCCCC2)CN3CCN(CC3)c4ccccn4    		 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE
    35886 SE
    CHEMBL1235891    		 31 Se InChI=1S/H2Se/h1H2;
    SPVXKVOXSXTJOY-UHFFFAOYSA-N    		 [SeH2]; [Se] SELENIUM ATOM
    35887 SE0
    ZINC000058660924    		 0 C17 H23 N3 O7 S2 InChI=1S/C17H23N3O7S2/c1-
    8-7-29-14(20-12(8)16(24)2
    5)13(17(26)27-6-10(18)15(
    22)23)19-11(21)5-9-3-2-4-
    28-9/h9-10,13-14H,1-7,18H
    2,(H,19,21)(H,22,23)(H,24
    ,25)/t9-,10+,13+,14-/m1/s
    1;
    FCBSKCJFRDWCLK-XXSPCDMZSA-N    		 N[CH](COC(=O)[CH](NC(=O)C[CH]1CCCS1)[CH]
    2SCC(=C)C(=N2)C(O)=O)C(O)=O; C=C1CS[C@@H
    ](N=C1C(=O)O)[C@@H](C(=O)OC[C@@H](C(=O)O
    )N)NC(=O)CC2CCCS2; N[C@@H](COC(=O)[C@@H]
    (NC(=O)C[C@H]1CCCS1)[C@H]2SCC(=C)C(=N2)C
    (O)=O)C(O)=O; C=C1CSC(N=C1C(=O)O)C(C(=O)
    OCC(C(=O)O)N)NC(=O)CC2CCCS2; O=C(NC(C(=O
    )OCC(C(=O)O)N)C1N=C(C(=O)O)\C(=C)CS1)CC2
    SCCC2    		 (2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-2-oxo-1-{[(2R)-tetrahydrothiophen-2-ylacetyl]amino}ethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
    35888 SE1 1 C23 H25 N O4 S2 InChI=1S/C23H25NO4S2/c25-
    22(26)18-5-1-2-6-19(18)29
    -20-7-3-4-8-21(20)30(27,2
    8)24-23-12-15-9-16(13-23)
    11-17(10-15)14-23/h1-8,15
    -17,24H,9-14H2,(H,25,26)/
    t15-,16+,17-,23-;
    IEUWYSKTODWTNP-FWWHLXPUSA-N    		 c1ccc(c(c1)C(=O)O)Sc2ccccc2S(=O)(=O)NC34
    CC5CC(C3)CC(C5)C4; OC(=O)c1ccccc1Sc2cccc
    c2[S](=O)(=O)NC34CC5CC(CC(C5)C3)C4; O=C(
    O)c1ccccc1Sc1ccccc1S(=O)(=O)NC12CC3CC(C1
    )CC(C2)C3    		 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid
    35889 SE2
    CHEMBL150372
    ZINC000000336205    		 5 C9 H6 O3 InChI=1S/C9H6O3/c10-7-5-6
    -3-1-2-4-8(6)12-9(7)11/h1
    -5,10H;
    MJKVTPMWOKAVMS-UHFFFAOYSA-N    		 OC1=Cc2ccccc2OC1=O; c1ccc2c(c1)C=C(C(=O)
    O2)O; O=C2Oc1ccccc1C=C2O    		 3-HYDROXY-2H-CHROMEN-2-ONE
    35890 SE3 1 C21 H21 Cl N4 O S InChI=1S/C21H21ClN4OS/c1-
    21(2,26-16-8-6-15(22)7-9-
    16)20(27)25-17-5-3-4-13(1
    0-17)14-11-18(19(23)24)28
    -12-14/h3-12,26H,1-2H3,(H
    3,23,24)(H,25,27);
    HSJWVLHTKFAHIV-UHFFFAOYSA-N    		 [H]/N=C(/c1cc(cs1)c2cccc(c2)NC(=O)C(C)(C
    )Nc3ccc(cc3)Cl)\N; CC(C)(Nc1ccc(Cl)cc1)C
    (=O)Nc2cccc(c2)c3csc(c3)C(N)=N; CC(C)(C(
    =O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Nc3ccc(cc3
    )Cl    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide
    35891 SE4 2 O4 Se InChI=1S/H2O4Se/c1-5(2,3)
    4/h(H2,1,2,3,4)/p-2;
    QYHFIVBSNOWOCQ-UHFFFAOYSA-L    		 [O-][Se]([O-])(=O)=O; [O-][Se](=O)(=O)[O
    -]    		 SELENATE ION
    35892 SE5
    CHEMBL453239
    ZINC000034456441    		 2 C13 H12 Cl N O2 InChI=1S/C13H12ClNO2/c14-
    11-5-3-9(4-6-11)1-2-10-7-
    12(13(16)17)15-8-10/h3-8,
    15H,1-2H2,(H,16,17);
    JXYKONJPFAHRTG-UHFFFAOYSA-N    		 c1cc(ccc1CCc2cc([nH]c2)C(=O)O)Cl; OC(=O)
    c1[nH]cc(CCc2ccc(Cl)cc2)c1; O=C(O)c1cc(c
    n1)CCc2ccc(Cl)cc2    		 4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid
    35893 SE6 1 C7 H14 O8 P2 InChI=1S/C7H14O8P2/c1-2-3
    -7(6-8)4-5-14-17(12,13)15
    -16(9,10)11/h2,4,8H,1,3,5
    -6H2,(H,12,13)(H2,9,10,11
    )/b7-4+;
    RHMQIVMXZYACOO-QPJJXVBHSA-N    		 OCC(CC=C)=CCO[P](O)(=O)O[P](O)(O)=O; OC\
    C(CC=C)=C\CO[P](O)(=O)O[P](O)(O)=O; C=CC
    C(=CCOP(=O)(O)OP(=O)(O)O)CO; C=CC/C(=C\C
    OP(=O)(O)OP(=O)(O)O)/CO    		 [(2E)-3-(hydroxymethyl)hexa-2,5-dienyl] phosphono hydrogen phosphate
    35894 SE7 0 C3 H7 N O4 Se InChI=1S/C3H7NO4Se/c4-2(3
    (5)6)1-9(7)8/h2H,1,4H2,(H
    ,5,6)(H,7,8)/t2-/m0/s1;
    CNQFMZMZJWKKEH-REOHCLBHSA-N    		 O=C(O)C(N)C[Se](=O)O; C(C(C(=O)O)N)[Se](
    =O)O; N[C@@H](C[Se](O)=O)C(O)=O; C([C@@H
    ](C(=O)O)N)[Se](=O)O; N[CH](C[Se](O)=O)C
    (O)=O    		 2-AMINO-3-SELENINO-PROPIONIC ACID
    35895 SE8
    ZINC000014714810    		 1 C16 H24 N4 O11 InChI=1S/C16H24N4O11/c17-
    8(13(25)26)7-20-12(24)6-1
    6(31,15(29)30)5-11(23)19-
    4-3-18-10(22)2-1-9(21)14(
    27)28/h8,31H,1-7,17H2,(H,
    18,22)(H,19,23)(H,20,24)(
    H,25,26)(H,27,28)(H,29,30
    )/t8-,16-/m0/s1;
    SIAZVTIHOHTZDD-PWJLMRLQSA-N    		 C(CC(=O)NCCNC(=O)C[C@](CC(=O)NC[C@@H](C(
    =O)O)N)(C(=O)O)O)C(=O)C(=O)O; N[CH](CNC(
    =O)C[C](O)(CC(=O)NCCNC(=O)CCC(=O)C(O)=O)
    C(O)=O)C(O)=O; N[C@@H](CNC(=O)C[C@@](O)(
    CC(=O)NCCNC(=O)CCC(=O)C(O)=O)C(O)=O)C(O)
    =O; O=C(NCC(C(=O)O)N)CC(O)(C(=O)O)CC(=O)
    NCCNC(=O)CCC(=O)C(=O)O; C(CC(=O)NCCNC(=O
    )CC(CC(=O)NCC(C(=O)O)N)(C(=O)O)O)C(=O)C(
    =O)O    		 5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid;
    Staphyloferrin B
    35896 SE9 2 C20 H17 F3 N4 O4 InChI=1S/C20H17F3N4O4/c1-
    31-14-9-11(5-7-24-14)6-8-
    25-18(29)15-16(28)19(30)2
    7-17(26-15)12-3-2-4-13(10
    -12)20(21,22)23/h2-5,7,9-
    10,28H,6,8H2,1H3,(H,25,29
    )(H,26,27,30);
    CJUKCSPPUSTPJP-UHFFFAOYSA-N    		 COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3c
    ccc(c3)C(F)(F)F)O; COc1cc(CCNC(=O)C2=C(O
    )C(=O)NC(=N2)c3cccc(c3)C(F)(F)F)ccn1; OC
    1=C(N=C(NC1=O)c1cccc(c1)C(F)(F)F)C(=O)NC
    Cc1ccnc(OC)c1    		 (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
    35897 SEA 0 C2 H7 N S InChI=1/C2H7NS/c3-1-2-4/h
    4H,1-3H2;
    UFULAYFCSOUIOV-UHFFFAOYAX    		 SCCN; C(CS)N; NCCS THIOETHYLAMINE
    35898 SEB
    DB01973
    ZINC000012501417    		 0 C10 H13 N O5 S InChI=1S/C10H13NO5S/c11-9
    (10(12)13)6-16-17(14,15)7
    -8-4-2-1-3-5-8/h1-5,9H,6-
    7,11H2,(H,12,13)/t9-/m0/s
    1;
    GCZVEKLTOLTWLM-VIFPVBQESA-N    		 c1ccc(cc1)CS(=O)(=O)OCC(C(=O)O)N; O=C(O)
    C(N)COS(=O)(=O)Cc1ccccc1; c1ccc(cc1)CS(=
    O)(=O)OC[C@@H](C(=O)O)N; N[C@@H](CO[S](=
    O)(=O)Cc1ccccc1)C(O)=O; N[CH](CO[S](=O)(
    =O)Cc1ccccc1)C(O)=O    		 O-BENZYLSULFONYL-SERINE
    35899 SEC
    CHEMBL109962
    DB02345    		 6 C3 H7 N O2 Se InChI=1S/C3H7NO2Se/c4-2(1
    -7)3(5)6/h2,7H,1,4H2,(H,5
    ,6)/t2-/m0/s1;
    ZKZBPNGNEQAJSX-REOHCLBHSA-N    		 O=C(O)C(N)C[SeH]; C(C(C(=O)O)N)[SeH]; C(
    [C@@H](C(=O)O)N)[SeH]; N[C@@H](C[SeH])C(
    O)=O; N[CH](C[SeH])C(O)=O    		 SELENOCYSTEINE
    35900 SEE
    ZINC000198032391    		 1 C3 H9 B N O6 InChI=1S/C3H9BNO6/c5-2(3(
    6)7)1-11-4(8,9)10/h2,8-10
    H,1,5H2,(H,6,7)/q-1/t2-/m
    0/s1;
    IVIUHRYRMDVYGR-REOHCLBHSA-N    		 [B-](O)(O)(O)OC[C@@H](C(=O)O)N; [B-](O)(
    O)(O)OCC(C(=O)O)N; N[C@@H](CO[B-](O)(O)O
    )C(O)=O; O=C(O)C(N)CO[B-](O)(O)O; N[CH](
    CO[B-](O)(O)O)C(O)=O    		 trihydroxy(L-serinato-kappaO~3~)borate(1-)
    35901 SEF
    ZINC000098209397    		 1 C20 H37 F N O4 P InChI=1S/C20H37FNO4P/c1-3
    -5-6-11-14-17-22-20(23)25
    -18-15-12-9-7-8-10-13-16-
    19-27(21,24)26-4-2/h1H,4-
    19H2,2H3,(H,22,23)/t27-/m
    1/s1;
    JFCFPSBLBVUKMV-HHHXNRCGSA-N    		 CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F;
    CCO[P@](F)(=O)CCCCCCCCCCOC(=O)NCCCCCC#C
    ; CCOP(=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F;
    FP(=O)(OCC)CCCCCCCCCCOC(=O)NCCCCCC#C; CC
    O[P](F)(=O)CCCCCCCCCCOC(=O)NCCCCCC#C    		 ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate
    35902 SEG 0 C3 H7 N O3 InChI=1/C3H7NO3/c4-2(1-5)
    3(6)7/h2,5H,1,4H2,(H,6,7)
    /t2-/m0/s1/f/h6H;
    MTCFGRXMJLQNBG-ODVHTPRODA    		 N[CH](CO)C(O)=O; C(C(C(=O)O)N)O; N[C@@H]
    (CO)C(O)=O; O=C(O)C(N)CO; C([C@@H](C(=O)
    O)N)O    		 HYDROXYALANINE
    35903 SEH
    DB04779
    ZINC000012504511    		 1 C10 H13 N O4 S2 InChI=1S/C10H13NO4S2/c1-2
    -16-10(11-15-17(12,13)14)
    8-9-6-4-3-5-7-9/h3-7H,2,8
    H2,1H3,(H,12,13,14)/b11-1
    0-;
    VZFUNHITNWTQFU-KHPPLWFESA-N    		 CCSC(Cc1ccccc1)=NO[S](O)(=O)=O; O=S(=O)(
    O)O\N=C(/SCC)Cc1ccccc1; CCS/C(=N\OS(=O)(
    =O)O)/Cc1ccccc1; CCSC(=NOS(=O)(=O)O)Cc1c
    cccc1; CCS\C(Cc1ccccc1)=N/O[S](O)(=O)=O    		 S-BENZYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE;
    ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE
    35904 SEI
    CHEMBL56852
    ZINC000003922674    		 2 C29 H37 F5 N4 O6 InChI=1S/C29H37F5N4O6/c1-
    16(2)21(23(39)28(30,31)29
    (32,33)34)35-25(41)20-6-5
    -11-38(20)27(43)22(17(3)4
    )36-24(40)18-7-9-19(10-8-
    18)26(42)37-12-14-44-15-1
    3-37/h7-10,16-17,20-22H,5
    -6,11-15H2,1-4H3,(H,35,41
    )(H,36,40)/t20-,21-,22-/m
    0/s1;
    XQAMVCHQGHAELT-FKBYEOEOSA-N    		 CC(C)C(C(=O)C(C(F)(F)F)(F)F)NC(=O)C1CCCN
    1C(=O)C(C(C)C)NC(=O)c2ccc(cc2)C(=O)N3CCO
    CC3; CC(C)[C@@H](C(=O)C(C(F)(F)F)(F)F)NC
    (=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c
    2ccc(cc2)C(=O)N3CCOCC3; O=C(c2ccc(C(=O)N
    C(C(=O)N1C(C(=O)NC(C(=O)C(F)(F)C(F)(F)F)
    C(C)C)CCC1)C(C)C)cc2)N3CCOCC3; CC(C)[CH]
    (NC(=O)c1ccc(cc1)C(=O)N2CCOCC2)C(=O)N3CC
    C[CH]3C(=O)N[CH](C(C)C)C(=O)C(F)(F)C(F)(
    F)F; CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N2C
    COCC2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C(C)C
    )C(=O)C(F)(F)C(F)(F)F    		 1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE;
    MDL 101,146
    35905 SEJ
    ZINC000001532588    		 2 C5 H10 O5 InChI=1S/C5H10O5/c6-2-1-1
    0-5(9)4(8)3(2)7/h2-9H,1H2
    /t2-,3-,4+,5-/m1/s1;
    SRBFZHDQGSBBOR-SQOUGZDYSA-N    		 C1C(C(C(C(O1)O)O)O)O; O[CH]1CO[CH](O)[CH
    ](O)[CH]1O; C1[C@H]([C@H]([C@@H]([C@@H](
    O1)O)O)O)O; O[C@@H]1CO[C@@H](O)[C@@H](O)
    [C@@H]1O    		 beta-D-arabinopyranose;
    beta-D-arabinose;
    D-arabinose;
    arabinose
    35906 SEK 9 C N Se InChI=1S/CHNSe/c2-1-3/h3H
    /p-1;
    CRDYSYOERSZTHZ-UHFFFAOYSA-M    		 C(#N)[Se-]; [Se-]C#N SELENOCYANATE ION
    35907 SEL
    CHEMBL116834
    ZINC000001609469    		 1 C3 H9 N O2 InChI=1S/C3H9NO2/c4-3(1-5
    )2-6/h3,5-6H,1-2,4H2;
    KJJPLEZQSCZCKE-UHFFFAOYSA-N    		 OCC(N)CO; C(C(CO)N)O; NC(CO)CO 2-AMINO-1,3-PROPANEDIOL;
    SERINOL
    35908 SEM
    ZINC000000086010    		 1 C10 H13 N O3 InChI=1S/C10H13NO3/c11-9(
    10(12)13)7-14-6-8-4-2-1-3
    -5-8/h1-5,9H,6-7,11H2,(H,
    12,13)/t9-/m0/s1;
    IDGQXGPQOGUGIX-VIFPVBQESA-N    		 O=C(O)C(N)COCc1ccccc1; N[CH](COCc1ccccc1
    )C(O)=O; N[C@@H](COCc1ccccc1)C(O)=O; c1c
    cc(cc1)COC[C@@H](C(=O)O)N; c1ccc(cc1)COC
    C(C(=O)O)N    		 O-benzyl-L-serine;
    (2S)-2-azanyl-3-phenylmethoxy-propanoic acid
    35909 SEN
    ZINC000058650550    		 0 C5 H13 N2 O5 P InChI=1S/C5H13N2O5P/c1-7(
    2)13(10,11)12-3-4(6)5(8)9
    /h4H,3,6H2,1-2H3,(H,8,9)(
    H,10,11)/t4-/m0/s1;
    HTPIRKVMFNYAHI-BYPYZUCNSA-N    		 CN(C)[P](O)(=O)OC[CH](N)C(O)=O; CN(C)P(=
    O)(O)OCC(C(=O)O)N; CN(C)[P@@](O)(=O)OC[C
    @H](N)C(O)=O; O=P(O)(OCC(N)C(=O)O)N(C)C;
    CN(C)[P@](=O)(O)OC[C@@H](C(=O)O)N    		 O-[N,N-dimethylphosphoramidate]-L-serine
    35910 SEO 0 C2 H6 O S InChI=1/C2H6OS/c3-1-2-4/h
    3-4H,1-2H2;
    DGVVWUTYPXICAM-UHFFFAOYAT    		 C(CS)O; OCCS 2-MERCAPTOETHANOL;
    2-SULFHYDRYL-ETHANOL
    35911 SEP
    CHEMBL284377
    DB04522
    ZINC000003869280    		 68 C3 H8 N O6 P InChI=1S/C3H8NO6P/c4-2(3(
    5)6)1-10-11(7,8)9/h2H,1,4
    H2,(H,5,6)(H2,7,8,9)/t2-/
    m0/s1;
    BZQFBWGGLXLEPQ-REOHCLBHSA-N    		 O=P(O)(O)OCC(C(=O)O)N; C(C(C(=O)O)N)OP(=
    O)(O)O; N[CH](CO[P](O)(O)=O)C(O)=O; N[C@
    @H](CO[P](O)(O)=O)C(O)=O; C([C@@H](C(=O)
    O)N)OP(=O)(O)O    		 PHOSPHOSERINE;
    PHOSPHONOSERINE
    35912 SEQ
    ZINC000006773252    		 8 C17 H21 N3 InChI=1S/C17H21N3/c1-2-6-
    13(7-3-1)18-17-14-8-4-5-9
    -15(14)19-16(20-17)12-10-
    11-12/h4-5,8-9,12-13H,1-3
    ,6-7,10-11H2,(H,18,19,20);
    ZQMGQZOHIDOPCQ-UHFFFAOYSA-N    		 c1ccc2c(c1)c(nc(n2)C3CC3)NC4CCCCC4; C1CC
    C(CC1)Nc2nc(nc3ccccc23)C4CC4    		 ~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine;
    TH10785
    35913 SER
    CHEMBL11298
    DB00133
    ZINC000000895034    		 266 C3 H7 N O3 InChI=1S/C3H7NO3/c4-2(1-5
    )3(6)7/h2,5H,1,4H2,(H,6,7
    )/t2-/m0/s1;
    MTCFGRXMJLQNBG-REOHCLBHSA-N    		 N[CH](CO)C(O)=O; C(C(C(=O)O)N)O; N[C@@H]
    (CO)C(O)=O; O=C(O)C(N)CO; C([C@@H](C(=O)
    O)N)O    		 SERINE
    35914 SES
    CHEMBL1235902
    DB01740    		 4 C10 H18 N2 Se InChI=1S/C10H18N2Se/c1-3-
    5-7-8-9(6-4-2)13-10(11)12
    -8/h3-7H2,1-2H3,(H2,11,12
    );
    DOUUMUUUWUAPPC-UHFFFAOYSA-N    		 n1c(c([se]c1N)CCC)CCCC; CCCCc1nc(N)[se]c
    1CCC; CCCCc1c([se]c(n1)N)CCC    		 4-butyl-5-propyl-1,3-selenazol-2-amine
    35915 SET
    CHEMBL1229083
    ZINC000094437874    		 1 C3 H8 N2 O2 InChI=1S/C3H8N2O2/c4-2(1-
    6)3(5)7/h2,6H,1,4H2,(H2,5
    ,7)/t2-/m0/s1;
    MGOGKPMIZGEGOZ-REOHCLBHSA-N    		 C([C@@H](C(=O)N)N)O; O=C(N)C(N)CO; N[CH]
    (CO)C(N)=O; N[C@@H](CO)C(N)=O; C(C(C(=O)
    N)N)O    		 AMINOSERINE
    35916 SEU 0 C3 H8 N2 S InChI=1/C3H8N2S/c1-2-6-3(
    4)5/h2H2,1H3,(H3,4,5)/f/h
    4H,5H2/b4-3-;
    VFIZBHJTOHUOEK-ZODMDLHRDO    		 CCSC(=N)N; CCSC(N)=N; [N@H]=C(SCC)N S-ETHYLISOTHIOUREA
    35917 SEV
    CHEMBL3430954
    ZINC000015432970    		 1 C20 H16 F2 N2 O4 S InChI=1S/C20H16F2N2O4S/c1
    -28-18-7-5-16(6-8-18)24-2
    9(26,27)19-4-2-3-17(12-19
    )23-20(25)13-9-14(21)11-1
    5(22)10-13/h2-12,24H,1H3,
    (H,23,25);
    PHNKXJVGPMJTLZ-UHFFFAOYSA-N    		 COc1ccc(cc1)NS(=O)(=O)c2cccc(c2)NC(=O)c3
    cc(cc(c3)F)F; COc1ccc(N[S](=O)(=O)c2cccc
    (NC(=O)c3cc(F)cc(F)c3)c2)cc1    		 3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
    35918 SEY
    CHEMBL3187603    		 91 C H4 N2 Se InChI=1S/CH4N2Se/c2-1(3)4
    /h(H4,2,3,4);
    IYKVLICPFCEZOF-UHFFFAOYSA-N    		 NC(N)=[Se]; C(=[Se])(N)N; [Se]=C(N)N selenourea
    35919 SEZ
    CHEMBL1797281
    ZINC000001699890    		 0 C9 H12 InChI=1S/C9H12/c1-7-4-8(2
    )6-9(3)5-7/h4-6H,1-3H3;
    AUHZEENZYGFFBQ-UHFFFAOYSA-N    		 Cc1cc(cc(c1)C)C; Cc1cc(C)cc(C)c1 1,3,5-trimethylbenzene;
    mesitylene
    35920 SF0 1 C62 H89 N13 O14 P Rh InChI=1S/C62H90N13O14P.Rh
    /c1-29-20-39-40(21-30(29)
    2)75(28-70-39)57-52(84)53
    (41(27-76)87-57)89-90(85,
    86)88-31(3)26-69-49(83)18
    -19-59(8)37(22-46(66)80)5
    6-62(11)61(10,25-48(68)82
    )36(14-17-45(65)79)51(74-
    62)33(5)55-60(9,24-47(67)
    81)34(12-15-43(63)77)38(7
    1-55)23-42-58(6,7)35(13-1
    6-44(64)78)50(72-42)32(4)
    54(59)73-56;/h20-21,23,28
    ,31,34-37,41,52-53,56-57,
    76,84H,12-19,22,24-27H2,1
    -11H3,(H15,63,64,65,66,67
    ,68,69,71,72,73,74,77,78,
    79,80,81,82,83,85,86);/q;
    +1/p-1/t31-,34-,35-,36-,3
    7-,41+,52-,53-,56-,57-,59
    -,60+,61+,62+;/m1./s1;
    VWWNYPUYAVYGSM-SSEWGYSZSA-M    		 C[C@H](CNC(=O)CC[C@]1(C)[C@H](CC(N)=O)[C
    @H]2N=C1C(=C3[C@@H](CCC(N)=O)C(C)(C)C(=C
    C4=NC(=C(C)C5=N[C@]2(C)[C@@](C)(CC(N)=O)
    [C@@H]5CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4
    CCC(N)=O)[N@@]3[Rh])C)O[P](O)(=O)O[C@H]6
    [C@@H](O)[C@@H](O[C@H]6CO)n7cnc8cc(C)c(C
    )cc78; Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)
    OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=
    [N]6[Rh]89[N]5=C4C(=C1N8C(=CC2=[N]9C(=C7
    C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(
    C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O;
    C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]
    2N=C1C(=C3[CH](CCC(N)=O)C(C)(C)C(=CC4=NC
    (=C(C)C5=N[C]2(C)[C](C)(CC(N)=O)[CH]5CCC
    (N)=O)[C](C)(CC(N)=O)[CH]4CCC(N)=O)[N]3[
    Rh])C)O[P](O)(=O)O[CH]6[CH](O)[CH](O[CH]
    6CO)n7cnc8cc(C)c(C)cc78; Cc1cc2ncn(c2cc1
    C)C1OC(CO)C(OP(=O)(O)OC(C)CNC(=O)CCC2(C)
    C(CC(N)=O)C3N4=C2C(C)=C2C(CCC(N)=O)C(C)(
    C)C5=CC6=N7C(=C(C)C=8C(CCC(N)=O)C(C)(CC(
    N)=O)C3(C)N=8[Rh]74N52)C(C)(CC(N)=O)C6CC
    C(N)=O)C1O; Cc1cc2c(cc1C)n(cn2)[C@@H]3[C
    @@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](
    C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@
    @]([C@@H](C7=[N]6[Rh]89[N]5=C4C(=C1N8C(=
    CC2=[N]9C(=C7C)[C@@]([C@@H]2CCC(=O)N)(C)
    CC(=O)N)C([C@@H]1CCC(=O)N)(C)C)C)CCC(=O)
    N)(C)CC(=O)N)C)CC(=O)N)C)O    		 [5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5(23),6,10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]rhodium (non-preferred name)
    35921 SF1
    ZINC000016052418    		 2 C22 H16 Cl N O2 S InChI=1S/C22H16ClNO2S/c23
    -16-11-12-19-18(13-16)21(
    27-17-9-5-2-6-10-17)20(22
    (25)26)24(19)14-15-7-3-1-
    4-8-15/h1-13H,14H2,(H,25,
    26);
    RFESUVTWCSFPBG-UHFFFAOYSA-N    		 c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4cccc
    c4)Cl; Clc1cc3c(cc1)n(c(c3Sc2ccccc2)C(=O
    )O)Cc4ccccc4; OC(=O)c1n(Cc2ccccc2)c3ccc(
    Cl)cc3c1Sc4ccccc4    		 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID;
    SR145
    35922 SF2
    ZINC000016052421    		 2 C23 H18 Cl N O3 S InChI=1S/C23H18ClNO3S/c1-
    28-17-7-5-6-15(12-17)14-2
    5-20-11-10-16(24)13-19(20
    )22(21(25)23(26)27)29-18-
    8-3-2-4-9-18/h2-13H,14H2,
    1H3,(H,26,27);
    NCLZXEPMARCQOX-UHFFFAOYSA-N    		 COc1cccc(c1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4cc
    ccc4)Cl; COc1cccc(Cn2c3ccc(Cl)cc3c(Sc4cc
    ccc4)c2C(O)=O)c1; Clc1cc3c(cc1)n(c(c3Sc2
    ccccc2)C(=O)O)Cc4cccc(OC)c4    		 5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID;
    SF147
    35923 SF3 48 Fe4 S3 InChI=1S/4Fe.3S;
    QQACTBFBZNWJMV-UHFFFAOYSA-N    		 S1[Fe][S@@]2[Fe]1[S@@]([Fe]2)[Fe]; S1[Fe
    ][S]2[Fe]1[S]([Fe]2)[Fe]; [Fe]S[Fe]S[Fe]
    S[Fe]    		 FE4-S3 CLUSTER
    35924 SF4 8362 Fe4 S4 InChI=1S/4Fe.4S;
    LJBDFODJNLIPKO-UHFFFAOYSA-N    		 [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45;
    S1[Fe]S[Fe]1.S2[Fe]S[Fe]2    		 IRON/SULFUR CLUSTER
    35925 SF5
    ZINC000584905672    		 1 C18 H23 N3 O5 InChI=1S/C18H23N3O5/c1-3-
    4-5-14(11-16(22)20-24)17-
    19-15(21-26-17)10-12-6-8-
    13(9-7-12)18(23)25-2/h6-9
    ,14,24H,3-5,10-11H2,1-2H3
    ,(H,20,22)/t14-/m1/s1;
    PKBQPXFVXNPVJM-CQSZACIVSA-N    		 CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C
    (=O)OC; CCCC[C@H](CC(=O)NO)c1onc(Cc2ccc(
    cc2)C(=O)OC)n1; CCCC[CH](CC(=O)NO)c1onc(
    Cc2ccc(cc2)C(=O)OC)n1; CCCCC(CC(=O)NO)c1
    nc(no1)Cc2ccc(cc2)C(=O)OC; N(C(CC(c1onc(
    n1)Cc2ccc(cc2)C(=O)OC)CCCC)=O)O    		 methyl 4-({5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate
    35926 SF6 1 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
    +/m0/s1;
    RFSUNEUAIZKAJO-OMMKOOBNSA-N    		 C([C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)
    O; OC1C(O)C(OC1(O)CO)CO; OC[CH]1O[C](O)(
    CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)O
    )O; OC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1
    O    		 alpha-L-psicofuranose;
    alpha-L-psicose;
    L-psicose;
    psicose
    35927 SF7
    ZINC000203341391    		 1 C16 H20 F N3 O3 InChI=1S/C16H20FN3O3/c1-2
    -3-4-12(10-15(21)19-22)16
    -18-14(20-23-16)9-11-5-7-
    13(17)8-6-11/h5-8,12,22H,
    2-4,9-10H2,1H3,(H,19,21)/
    t12-/m1/s1;
    NPHICFLHFQUZKX-GFCCVEGCSA-N    		 CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F
    ; CCCC[C@H](CC(=O)NO)c1onc(Cc2ccc(F)cc2)
    n1; CCCCC(CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F
    ; O=C(CC(c1nc(no1)Cc2ccc(cc2)F)CCCC)NO;
    CCCC[CH](CC(=O)NO)c1onc(Cc2ccc(F)cc2)n1    		 (3R)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyheptanamide
    35928 SF8
    ZINC000014714803    		 3 C17 H24 N2 O14 InChI=1S/C17H24N2O14/c20-
    9(4-16(32,14(28)29)6-11(2
    2)23)18-3-1-2-8(13(26)27)
    19-10(21)5-17(33,15(30)31
    )7-12(24)25/h8,32-33H,1-7
    H2,(H,18,20)(H,19,21)(H,2
    2,23)(H,24,25)(H,26,27)(H
    ,28,29)(H,30,31)/t8-,16+,
    17-/m1/s1;
    VJSIXUQLTJCRCS-DFQXCPINSA-N    		 C(CC(C(=O)O)NC(=O)CC(CC(=O)O)(C(=O)O)O)C
    NC(=O)CC(CC(=O)O)(C(=O)O)O; OC(=O)C[C@@]
    (O)(CC(=O)NCCC[C@@H](NC(=O)C[C@@](O)(CC(
    O)=O)C(O)=O)C(O)=O)C(O)=O; C(C[C@H](C(=O
    )O)NC(=O)C[C@@](CC(=O)O)(C(=O)O)O)CNC(=O
    )C[C@](CC(=O)O)(C(=O)O)O; OC(=O)C[C](O)(
    CC(=O)NCCC[CH](NC(=O)C[C](O)(CC(O)=O)C(O
    )=O)C(O)=O)C(O)=O    		 (2R)-2-(2-{[(1R)-1-carboxy-4-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybutanedioic acid;
    Staphyloferrin A
    35929 SF9 1 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
    -/m0/s1;
    RFSUNEUAIZKAJO-BXKVDMCESA-N    		 OC1C(O)C(OC1(O)CO)CO; 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(C1C(C(C(O1)(CO)O)O)
    O)O; OC[C@@H]1O[C@@](O)(CO)[C@@H](O)[C@H
    ]1O    		 beta-L-psicofuranose;
    beta-L-psicose;
    L-psicose;
    psicose
    35930 SFA
    CHEMBL410807
    DB03393    		 3 C60 H91 N5 O13 InChI=1S/C60H91N5O13/c1-1
    1-43-30-37(6)60(63-55(43)
    72)41(10)53(70)40(9)51(78
    -60)33-49(69)35(4)20-14-1
    2-15-21-36(5)50-26-17-13-
    16-25-48(68)39(8)54(71)45
    (28-27-38(7)66)56(73)62-5
    2(34(2)3)57(74)61-47(32-4
    2-22-18-23-44(67)31-42)58
    (75)65-29-19-24-46(64-65)
    59(76)77-50/h12-13,15-18,
    21-23,25,31,34-35,37,39-4
    1,43,45-54,64,67-71H,11,1
    4,19-20,24,26-30,32-33H2,
    1-10H3,(H,61,74)(H,62,73)
    (H,63,72)/b15-12+,17-13+,
    25-16+,36-21+/t35-,37-,39
    -,40-,41-,43-,45+,46-,47-
    ,48-,49-,50-,51-,52-,53-,
    54+,60+/m0/s1;
    ONJZYZYZIKTIEG-CFBQITSMSA-N    		 O=C3N5NC(C(=O)OC(C(=C\C=C\CCC(C)C(O)CC2O
    C1(NC(=O)C(CC1C)CC)C(C)C(O)C2C)\C)CC=CC=
    CC(O)C(C)C(O)C(C(=O)NC(C(=O)NC3Cc4cccc(O
    )c4)C(C)C)CCC(=O)C)CCC5; CCC1CC(C2(C(C(C
    (C(O2)CC(C(C)CCC=CC=C(C)C3CC=CC=CC(C(C(C
    (C(=O)NC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)O3)
    Cc5cccc(c5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)
    C)NC1=O)C; CC[CH]1C[CH](C)[C]2(NC1=O)O[C
    H](C[CH](O)[CH](C)CCC=CC=C(C)[CH]3CC=CC=
    C[CH](O)[CH](C)[CH](O)[CH](CCC(C)=O)C(=O
    )N[CH](C(C)C)C(=O)N[CH](Cc4cccc(O)c4)C(=
    O)N5CCC[CH](N5)C(=O)O3)[CH](C)[CH](O)[CH
    ]2C; CC[C@H]1C[C@H](C)[C@@]2(NC1=O)O[C@@
    H](C[C@H](O)[C@@H](C)CC\C=C\C=C(/C)[C@@H
    ]3C\C=C\C=C\[C@H](O)[C@H](C)[C@@H](O)[C@
    @H](CCC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C
    @@H](Cc4cccc(O)c4)C(=O)N5CCC[C@H](N5)C(=
    O)O3)[C@H](C)[C@H](O)[C@@H]2C; CC[C@H]1C
    [C@@H]([C@@]2([C@H]([C@H]([C@H]([C@@H](O
    2)C[C@@H]([C@@H](C)CC\C=C\C=C(/C)\[C@@H]
    3C\C=C\C=C\[C@@H]([C@@H]([C@H]([C@H](C(=
    O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)
    C(=O)O3)Cc5cccc(c5)O)C(C)C)CCC(=O)C)O)C)
    O)O)C)O)C)NC1=O)C    		 SANGLIFEHRIN A;
    (3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-{(1E,3E,7S,8S)-9-[(2S,3R,4S,5S,6R,9S,11S)-9-ETHYL-4-HYDROXY-3,5,11-TRIMETHYL- 8-OXO-1-OXA-7-AZASPIRO[5.5]UNDEC-2-YL]-8-HYDROXY-1,7-DIMETHYLNONA-1,3-DIENYL}-10,12-DIHYDROXY-3-(3-HYDROXYBENZYL)-6-ISOP ROPYL-11-METHYL-9-(3-OXOBUTYL)-19-OXA-1,4,7,25-TETRAAZABICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRONE
    35931 SFB
    ZINC000064746665    		 4 C20 H28 N8 O11 S InChI=1S/C20H24N8O11S/c21
    -15-10-16(23-5-22-15)28(6
    -24-10)19-13(33)12(32)14(
    39-19)17(34)26-40(36,37)4
    -7-8(3-29)38-18(11(7)31)2
    7-2-1-9(30)25-20(27)35/h1
    -2,5-8,11-14,18-19,29,31-
    33H,3-4H2,(H,26,34)(H2,21
    ,22,23)(H,25,30,35)/t7-,8
    -,11-,12+,13-,14+,18-,19-
    /m1/s1;
    KEQMCGJHYDWPEW-ZSIUBJGCSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)NS(=O)
    (=O)CC4C(OC(C4O)N5C=CC(=O)NC5=O)CO)O)O)N
    ; O=C(NS(=O)(=O)CC2C(OC(N1C(=O)NC(=O)C=C
    1)C2O)CO)C5OC(n3c4ncnc(N)c4nc3)C(O)C5O;
    Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O
    )C(=O)N[S](=O)(=O)C[CH]4[CH](O)[CH](O[CH
    ]4CO)N5C=CC(=O)NC5=O; c1nc(c2c(n1)n(cn2)
    [C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NS(=O)
    (=O)C[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC
    (=O)NC5=O)CO)O)O)N; Nc1ncnc2n(cnc12)[C@@
    H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)N[S](=O
    )(=O)C[C@H]4[C@@H](O)[C@@H](O[C@@H]4CO)N
    5C=CC(=O)NC5=O    		 (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE
    35932 SFC
    ZINC000263620816    		 5 C34 H53 N7 O17 P3 S InChI=1S/C34H52N7O17P3S/c
    1-19(2)14-21-6-8-22(9-7-2
    1)20(3)33(46)62-13-12-36-
    24(42)10-11-37-31(45)28(4
    4)34(4,5)16-55-61(52,53)5
    8-60(50,51)54-15-23-27(57
    -59(47,48)49)26(43)32(56-
    23)41-18-40-25-29(35)38-1
    7-39-30(25)41/h6-9,17-20,
    23,26-28,32,43-44H,10-16H
    2,1-5H3,(H8,35,36,37,38,3
    9,42,45,47,48,49,50,51,52
    ,53)/p+1/t20-,23+,26+,27+
    ,28-,32+/m0/s1;
    NXIKDQUQQHUCJH-MIXAKNBRSA-O    		 CC(C)Cc1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CC
    NC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@]
    (=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n
    +]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O; CC(C)
    Cc1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O
    )[C@H](O)C(C)(C)CO[P@](O)(=O)O[P@](O)(=O
    )OC[C@H]2O[C@H]([C@H](O)[C@@H]2O[P](O)(O
    )=O)[n+]3c[nH]c4c(N)ncnc34; CC(C)Cc1ccc(
    cc1)[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)
    C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[C
    H]([CH](O)[CH]2O[P](O)(O)=O)[n+]3c[nH]c4
    c(N)ncnc34; O=C(SCCNC(=O)CCNC(=O)C(O)C(C
    )(C)COP(=O)(O)OP(=O)(O)OCC3OC([n+]2cnc1c
    2ncnc1N)C(O)C3OP(=O)(O)O)C(c4ccc(cc4)CC(
    C)C)C; CC(C)Cc1ccc(cc1)C(C)C(=O)SCCNC(=O
    )CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC
    2C(C(C(O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(
    O)O)O    		 (S)-IBUPROFENOYL-COENZYME A;
    [5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(S)-2-[4-(2-METHYLPROPYL)PHENYL] PROPANOYL)-SULFANYLETHYLCARBAMOYL ETHYLCARBAMOYL]-3-HYDROXY-2,2-DIMETHYL-PROPOXY]-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-4-HYDROXY-OXOLAN-3-YL]OXYPHOSPHONIC ACID
    35933 SFD
    ZINC000263621164    		 8 C27 H35 N9 O18 P2 S InChI=1S/C27H35N9O18P2S/c
    1-10-3-12-13(4-11(10)2)36
    (57(48,49)50)18-24(32-27(
    43)33-25(18)42)34(12)5-14
    (37)19(39)15(38)6-51-55(4
    4,45)54-56(46,47)52-7-16-
    20(40)21(41)26(53-16)35-9
    -31-17-22(28)29-8-30-23(1
    7)35/h3-4,8-9,14-16,18-21
    ,26,37-41H,5-7H2,1-2H3,(H
    ,44,45)(H,46,47)(H2,28,29
    ,30)(H,33,42,43)(H,48,49,
    50)/t14-,15+,16+,18-,19-,
    20+,21+,26+/m0/s1;
    WCBOBURWKHIISA-LDVRFEIFSA-N    		 Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=
    O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)
    n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[CH]6N(c
    2cc1C)[S](O)(=O)=O; Cc1cc2c(cc1C)N(C3C(=
    O)NC(=O)N=C3N2CC(C(C(COP(=O)(O)OP(=O)(O)
    OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(
    =O)(=O)O; Cc1cc2N(C[C@H](O)[C@H](O)[C@H]
    (O)CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C
    @H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)C6
    =NC(=O)NC(=O)[C@H]6N(c2cc1C)[S](O)(=O)=O
    ; O=S(=O)(O)N2c1cc(c(cc1N(C3=NC(=O)NC(=O
    )C23)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC
    6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C; Cc1cc2
    c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([
    C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O
    C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5nc
    nc6N)O)O)O)O)O)S(=O)(=O)O    		 (S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY)(HYDROXY)PHOSPHORYLOXY)(HYDROXY)PHOSPHORYLOXY)-2,3,4-TRIHYDROXYPENTYL)-7,8-DIMETHYL-2,4-DIOXO-2,3,4,4A-TETRAHYDROBENZO[G]PTERIDINE-5(10H)-SULFONIC ACID;
    N5-SULFONO FLAVIN-ADENINE DINUCLEOTIDE
    35934 SFE
    ZINC000000054291    		 8 C9 H11 N O2 InChI=1S/C9H11NO2/c10-8(6
    -9(11)12)7-4-2-1-3-5-7/h1
    -5,8H,6,10H2,(H,11,12)/t8
    -/m0/s1;
    UJOYFRCOTPUKAK-QMMMGPOBSA-N    		 c1ccc(cc1)C(CC(=O)O)N; O=C(O)CC(N)c1cccc
    c1; N[CH](CC(O)=O)c1ccccc1; N[C@@H](CC(O
    )=O)c1ccccc1    		 (3S)-3-amino-3-phenylpropanoic acid;
    S-BETA-PHENYLALANINE
    35935 SFF
    CHEMBL2409730
    ZINC000096273925    		 6 C13 H22 N2 O3 S InChI=1S/C13H22N2O3S/c16-
    19(17)12-9-5-4-8-11(12)18
    -13(15-19)14-10-6-2-1-3-7
    -10/h10-12H,1-9H2,(H,14,1
    5)/t11-,12+/m0/s1;
    ZMDVQNCMHSXAPA-NWDGAFQWSA-N    		 O=S2(=O)N=C(OC1C2CCCC1)NC3CCCCC3; C1CCC(
    CC1)NC2=NS(=O)(=O)C3CCCCC3O2; O=[S]1(=O)
    N=C(NC2CCCCC2)O[C@H]3CCCC[C@@H]13; C1CCC
    (CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2;
    O=[S]1(=O)N=C(NC2CCCCC2)O[CH]3CCCC[CH]1
    3    		 (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide
    35936 SFG
    CHEMBL1214186
    DB01910
    ZINC000004217451    		 253 C15 H23 N7 O5 InChI=1S/C15H23N7O5/c16-6
    (1-2-7(17)15(25)26)3-8-10
    (23)11(24)14(27-8)22-5-21
    -9-12(18)19-4-20-13(9)22/
    h4-8,10-11,14,23-24H,1-3,
    16-17H2,(H,25,26)(H2,18,1
    9,20)/t6-,7-,8+,10+,11+,1
    4+/m0/s1;
    LMXOHSDXUQEUSF-YECHIGJVSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N;
    c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CC(CCC(C(=
    O)O)N)N)O)O)N; N[CH](CC[CH](N)C(O)=O)C[C
    H]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23;
    N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H](
    [C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; O=C(O
    )C(N)CCC(N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3
    O    		 SINEFUNGIN;
    ADENOSYL-ORNITHINE
    35937 SFH 12 C16 H17 N7 O7 S InChI=1S/C16H17N7O7S/c17-
    13-10-14(20-6-19-13)23(7-
    21-10)16-12(25)11(24)9(30
    -16)5-29-31(27,28)22-15(2
    6)8-2-1-3-18-4-8/h1-4,6-7
    ,9,11-12,16,24-25H,5H2,(H
    ,22,26)(H2,17,19,20)/t9-,
    11-,12-,16-/m1/s1;
    LBBNJCOHYSTAJW-UBEDBUPSSA-N    		 C3(n1c2c(nc1)c(N)ncn2)OC(C(C3O)O)COS(NC(
    c4cnccc4)=O)(=O)=O; c1cc(cnc1)C(=O)NS(=O
    )(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O; c1
    cc(cnc1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C
    @H]([C@@H](O2)n3cnc4c3ncnc4N)O)O; Nc1ncn
    c2n(cnc12)[C@@H]3O[C@H](CO[S](=O)(=O)NC(
    =O)c4cccnc4)[C@@H](O)[C@H]3O; Nc1ncnc2n(
    cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)c4cc
    cnc4)[CH](O)[CH]3O    		 5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine
    35938 SFI
    CHEMBL18797
    ZINC000012404515    		 5 C20 H17 F O2 S InChI=1S/C20H17FO2S/c1-12
    -17(9-13-3-6-15(24-2)7-4-
    13)16-8-5-14(21)10-19(16)
    18(12)11-20(22)23/h3-10H,
    11H2,1-2H3,(H,22,23)/b17-
    9-;
    LFWHFZJPXXOYNR-MFOYZWKCSA-N    		 CC1=C(c2cc(ccc2C1=Cc3ccc(cc3)SC)F)CC(=O)
    O; CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)SC)F)
    CC(=O)O; O=C(O)CC=2c3cc(F)ccc3\C(=C/c1cc
    c(SC)cc1)C=2C; CSc1ccc(cc1)/C=C2/C(=C(CC
    (O)=O)c3cc(F)ccc23)C; CSc1ccc(cc1)C=C2C(
    =C(CC(O)=O)c3cc(F)ccc23)C    		 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid;
    sulindac sulfide
    35939 SFJ
    CHEMBL4128362
    ZINC000068203664    		 7 C11 H17 F2 N O8 InChI=1S/C11H17F2NO8/c1-3
    (16)14-5-7(19)9(12)11(13,
    10(20)21)22-8(5)6(18)4(17
    )2-15/h4-9,15,17-19H,2H2,
    1H3,(H,14,16)(H,20,21)/t4
    -,5-,6-,7-,8-,9-,11-/m1/s
    1;
    HMALKZAXODOYOP-DAXAGCIGSA-N    		 CC(=O)N[CH]1[CH](O)[CH](F)[C](F)(O[CH]1[
    CH](O)[CH](O)CO)C(O)=O; CC(=O)N[C@@H]1[C
    @@H](O)[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)
    [C@H](O)CO)C(O)=O; CC(=O)NC1C(C(C(OC1C(C
    (CO)O)O)(C(=O)O)F)F)O; FC1(OC(C(NC(=O)C)
    C(O)C1F)C(O)C(O)CO)C(=O)O; CC(=O)N[C@@H]
    1[C@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](
    CO)O)O)(C(=O)O)F)F)O    		 (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid;
    (2R,3R,4R,5R,6R)-5-(acetylamino)-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxy lic acid;
    2,3-difluoro-sialic acid;
    5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
    35940 SFK
    CHEMBL3086672    		 1 C15 H21 N O3 InChI=1S/C15H21NO3/c1-11(
    2)8-9-14(17)16-13(15(18)1
    9)10-12-6-4-3-5-7-12/h3-7
    ,11,13H,8-10H2,1-2H3,(H,1
    6,17)(H,18,19)/t13-/m0/s1;
    SNFOUMUDOQSPKF-ZDUSSCGKSA-N    		 CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O; CC
    (C)CCC(=O)N[C@@H](Cc1ccccc1)C(O)=O; O=C(
    O)C(NC(=O)CCC(C)C)Cc1ccccc1; CC(C)CCC(=O
    )NC(Cc1ccccc1)C(=O)O; CC(C)CCC(=O)N[CH](
    Cc1ccccc1)C(O)=O    		 N-(4-methylpentanoyl)-L-phenylalanine
    35941 SFL 1 F4 Sc InChI=1S/4FH.Sc/h4*1H;/q;
    ;;;+3/p-4;
    YVTFRTYUOUJWMQ-UHFFFAOYSA-J    		 F[Sc-](F)(F)F Scandium Tetrafluoride
    35942 SFM
    ZINC000098209398    		 2 C39 H56 N4 O10 InChI=1S/C39H56N4O10/c1-2
    3(2)34-37(50)40-31(22-27-
    11-9-12-28(46)21-27)38(51
    )43-19-10-13-30(42-43)39(
    52)53-33(24(3)18-20-44)15
    -8-6-7-14-32(47)26(5)35(4
    8)29(36(49)41-34)17-16-25
    (4)45/h6-9,11-12,14,18,21
    ,23,26,29-35,42,44,46-48H
    ,10,13,15-17,19-20,22H2,1
    -5H3,(H,40,50)(H,41,49)/b
    8-6+,14-7+,24-18+/t26-,29
    +,30-,31-,32-,33-,34-,35+
    /m0/s1;
    WZVMDDRRINUPRQ-APBCKSDASA-N    		 CC1C(C=CC=CCC(OC(=O)C2CCCN(N2)C(=O)C(NC(
    =O)C(NC(=O)C(C1O)CCC(=O)C)C(C)C)Cc3cccc(
    c3)O)C(=CCO)C)O; CC(C)[CH]1NC(=O)[CH](CC
    C(C)=O)[CH](O)[CH](C)[CH](O)C=CC=CC[CH](
    OC(=O)[CH]2CCC[N](N2)C(=O)[CH](Cc3cccc(O
    )c3)NC1=O)C(C)=CCO; O=C1OC(C(=C/CO)/C)CC
    =CC=CC(O)C(C)C(O)C(C(=O)NC(C(=O)NC(C(=O)
    N2NC1CCC2)Cc3cccc(O)c3)C(C)C)CCC(=O)C; C
    [C@H]1[C@H](/C=C/C=C/C[C@H](OC(=O)[C@@H]
    2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)
    [C@@H]([C@@H]1O)CCC(=O)C)C(C)C)Cc3cccc(c
    3)O)/C(=C/CO)/C)O; CC(C)[C@@H]1NC(=O)[C@
    H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)/C
    =C/C=C/C[C@H](OC(=O)[C@@H]2CCC[N@](N2)C(
    =O)[C@H](Cc3cccc(O)c3)NC1=O)\C(C)=C\CO    		 (13E,15E)-(3S,6S,9R,10R,11S,12S,18S,21S)-10,12-DIHYDROXY-3-(3-HYDROXYBEN-ZYL)-18-((E)-3-HYDROXY-1-METHYLPROPENYL)-6-ISOPROPYL-11-METHYL-9-(3-OXO-BUTYL)-19-OXA-1,4,7,25-TETRAAZA-BICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRAONE;
    ANALOGUE OF MACROLIDE FROM DEGRADED SANGLIFEHRIN A
    35943 SFN 0 H O3 S InChI=1/H2O3S/c1-4(2)3/h4
    H,(H,1,2,3)/p-1/fHO3S/q-1;
    BDHFUVZGWQCTTF-QPDBLXDKCC    		 [O-][SH](=O)=O; [O-]S(=O)=O SULFONATE GROUP
    35944 SFO 2 H3 O3 S InChI=1S/H4O3S/c1-4(2)3/h
    4H2,(H2,1,2,3);
    BESWYMJGRRXSAL-UHFFFAOYSA-N    		 O[SH](=O)O; O[SH](O)=O SULFONIC ACID
    35945 SFP
    DB01999    		 15 C44 H34 N4 O12 S4 InChI=1S/C44H38N4O12S4/c4
    9-61(50,51)29-9-1-25(2-10
    -29)41-33-17-19-35(45-33)
    42(26-3-11-30(12-4-26)62(
    52,53)54)37-21-23-39(47-3
    7)44(28-7-15-32(16-8-28)6
    4(58,59)60)40-24-22-38(48
    -40)43(36-20-18-34(41)46-
    36)27-5-13-31(14-6-27)63(
    55,56)57/h1-24,45,48-60H/
    p-4/b41-33-,41-34-,42-35-
    ,42-37-,43-36-,43-38-,44-
    39-,44-40-;
    OVPFWIRROXFHGQ-LWQDQPMZSA-J    		 c1cc(ccc1c2c3ccc([nH]3)c(c4nc(c(c5ccc([n
    H]5)c(c6nc2C=C6)c7ccc(cc7)S(O)(O)[O-])c8
    ccc(cc8)S(O)(O)[O-])C=C4)c9ccc(cc9)S(O)(
    O)[O-])S(O)(O)[O-]; [O-]S(O)(O)c1ccc(cc1
    )c5c9ccc(c(c7nc(c(c2nc(cc2)c(c3ccc(cc3)S
    ([O-])(O)O)c4nc5C=C4)c6ccc(cc6)S([O-])(O
    )O)C=C7)c8ccc(cc8)S([O-])(O)O)n9; c1c(cc
    c(c1)S([O-])(O)O)/c/2c\3/nc(/c(c/4\[nH]/
    c(c(\c5n/c(c(\c6[nH]c2cc6)/c7ccc(cc7)S([
    O-])(O)O)/C=C5)/c8ccc(cc8)S([O-])(O)O)/c
    c4)/c9ccc(cc9)S([O-])(O)O)C=C3; O[S](O)(
    [O-])c1ccc(cc1)c2c3[nH]c(cc3)c(c4ccc(cc4
    )[S](O)(O)[O-])c5ccc(n5)c(c6[nH]c(cc6)c(
    c7ccc(cc7)[S](O)(O)[O-])c8ccc2n8)c9ccc(c
    c9)[S](O)(O)[O-]    		 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-21H,23H-PORPHINE
    35946 SFQ
    ZINC000004757062    		 3 C13 H10 I N O4 S InChI=1S/C13H10INO4S/c14-
    9-5-7-10(8-6-9)20(18,19)1
    5-12-4-2-1-3-11(12)13(16)
    17/h1-8,15H,(H,16,17);
    PLJIQKJMJAHNRG-UHFFFAOYSA-N    		 Ic1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)O; c1c
    cc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(cc2)I; OC
    (=O)c1ccccc1N[S](=O)(=O)c2ccc(I)cc2    		 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid
    35947 SFR
    ZINC000103556459    		 8 C12 H17 N O6 S InChI=1S/C12H17NO6S/c1-5(
    14)7(11(15)16)10-13-8(12(
    17)18)9(20-10)6-3-2-4-19-
    6/h5-7,10,13-14H,2-4H2,1H
    3,(H,15,16)(H,17,18)/t5-,
    6-,7-,10-/m1/s1;
    CGJDLFMMMJEANA-DAGMQNCNSA-N    		 C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2
    )C(=O)O)C(=O)O)O; OC(=O)C(C1NC(C(O)=O)=C
    (S1)C2OCCC2)C(O)C; CC(C(C1NC(=C(S1)C2CCC
    O2)C(=O)O)C(=O)O)O; C[CH](O)[CH]([CH]1NC
    (=C(S1)[CH]2CCCO2)C(O)=O)C(O)=O; C[C@@H]
    (O)[C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(O
    )=O)C(O)=O    		 (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid;
    FAROPENEM, unbound, hydrolyzed form
    35948 SFS 16 Fe4 Se4 InChI=1S/4Fe.4HSe/h;;;;4*
    1H;
    HSQOKLBIIKAQNG-UHFFFAOYSA-N    		 [Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]
    45; [Fe]1[Se][Fe][Se]1.[Fe]2[Se][Fe][Se]
    2    		 Fe4-Se4 cluster
    35949 SFT
    DB04780
    ZINC000096006133    		 2 C48 H93 N O12 S InChI=1S/C48H93NO12S/c1-3
    -5-7-9-11-13-15-17-18-19-
    20-21-22-23-25-27-29-31-3
    3-35-37-42(52)47(55)49-40
    (41(51)36-34-32-30-28-26-
    24-16-14-12-10-8-6-4-2)39
    -59-48-45(54)46(61-62(56,
    57)58)44(53)43(38-50)60-4
    8/h34,36,40-46,48,50-54H,
    3-33,35,37-39H2,1-2H3,(H,
    49,55)(H,56,57,58)/b36-34
    +/t40-,41+,42+,43+,44-,45
    +,46-,48+/m0/s1;
    QTTLKKFUOJQIRB-JOLIRYOJSA-N    		 CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H]
    (CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)
    O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCC
    C)O)O; O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)C
    (O)CCCCCCCCCCCCCCCCCCCCCC)C(O)/C=C/CCCCC
    CCCCCCCC)C1O)CO; CCCCCCCCCCCCCCCCCCCCCC[
    CH](O)C(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)
    [CH](O[S](O)(=O)=O)[CH]1O)[CH](O)C=CCCCC
    CCCCCCCCC; CCCCCCCCCCCCCCCCCCCCCC[C@@H](
    O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](
    O)[C@H](O[S](O)(=O)=O)[C@H]1O)[C@H](O)\C
    =C\CCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCCCC
    C(C(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)
    O)O)C(C=CCCCCCCCCCCCCC)O)O    		 SULFOGALACTOCERAMIDE;
    SULFATIDE
    35950 SFU 49 C7 H14 O4 Se InChI=1S/C7H14O4Se/c1-3-4
    (8)5(9)6(10)7(11-3)12-2/h
    3-10H,1-2H3/t3-,4+,5+,6-,
    7-/m0/s1;
    VHTNTJQSKJZERS-XUVCUMPTSA-N    		 C[Se][C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)
    [C@@H]1O; C[C@H]1[C@H]([C@H]([C@@H]([C@@
    H](O1)[Se]C)O)O)O; C[Se][CH]1O[CH](C)[CH
    ](O)[CH](O)[CH]1O; CC1C(C(C(C(O1)[Se]C)O
    )O)O; OC1C(O)C(O)C(OC1[Se]C)C    		 methyl 1-seleno-alpha-L-fucopyranoside;
    METHYL 6-DEOXY-1-SELENO-ALPHA-L-GALACTOPYRANOSIDE;
    methyl 1-seleno-alpha-L-fucoside;
    methyl 1-seleno-L-fucoside;
    methyl 1-seleno-fucoside
    35951 SFV 1 C10 H18 N3 O12 P3 InChI=1S/C10H18N3O12P3/c1
    1-8-1-2-13(10(15)12-8)9-3
    -6(14)7(24-9)4-23-28(21,2
    2)25-27(19,20)5-26(16,17)
    18/h1-2,6-7,9,14H,3-5H2,(
    H,19,20)(H,21,22)(H2,11,1
    2,15)(H2,16,17,18)/t6-,7+
    ,9+/m0/s1;
    YHOBQJYELBYSJU-LKEWCRSYSA-N    		 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO
    P(=O)(O)OP(=O)(CP(=O)(O)O)O)O; NC1=NC(=O
    )N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[
    P](O)(=O)C[P](O)(O)=O)O2; C1C(C(OC1N2C=C
    C(=NC2=O)N)COP(=O)(O)OP(=O)(CP(=O)(O)O)O
    )O; NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@
    H](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O
    2    		 [[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methylphosphonic acid
    35952 SFW 1 C17 H13 F3 N2 InChI=1S/C17H13F3N2/c1-12
    -7-8-15(14(11-12)17(18,19
    )20)22-10-9-21-16(22)13-5
    -3-2-4-6-13/h2-11H,1H3;
    UBEVGQDCLDVUPA-UHFFFAOYSA-N    		 Cc1ccc(n2ccnc2c3ccccc3)c(c1)C(F)(F)F; Cc
    1ccc(c(c1)C(F)(F)F)n2ccnc2c3ccccc3    		 1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole
    35953 SFX
    CHEMBL1169388
    DB08544
    ZINC000001530637    		 3 C17 H18 F3 N O InChI=1S/C17H18F3NO/c1-21
    -12-11-16(13-5-3-2-4-6-13
    )22-15-9-7-14(8-10-15)17(
    18,19)20/h2-10,16,21H,11-
    12H2,1H3/t16-/m0/s1;
    RTHCYVBBDHJXIQ-INIZCTEOSA-N    		 CNCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2; C
    NCCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F; CNCC[
    C@@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F; CNCC
    [C@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2; FC(F
    )(F)c2ccc(OC(c1ccccc1)CCNC)cc2    		 (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;
    Fluoxetine
    35954 SFY
    CHEMBL700
    DB00891
    ZINC000000002105    		 11 C11 H11 N3 O2 S InChI=1S/C11H11N3O2S/c12-
    9-4-6-10(7-5-9)17(15,16)1
    4-11-3-1-2-8-13-11/h1-8H,
    12H2,(H,13,14);
    GECHUMIMRBOMGK-UHFFFAOYSA-N    		 O=S(=O)(Nc1ncccc1)c2ccc(N)cc2; Nc1ccc(cc
    1)[S](=O)(=O)Nc2ccccn2; c1ccnc(c1)NS(=O)
    (=O)c2ccc(cc2)N    		 4-amino-N-(pyridin-2-yl)benzenesulfonamide;
    Sulfapyridine
    35955 SG0 1 C13 H17 N3 O2 S InChI=1S/C13H17N3O2S/c1-6
    (2)18-9-4-3-7(13(16)17)8-
    5-10(12(14)15)19-11(8)9/h
    3-6,13,17H,16H2,1-2H3,(H3
    ,14,15)/t13-/m1/s1;
    AHQCRVYDVIFTJY-CYBMUJFWSA-N    		 [H]/N=C(\c1cc2c(ccc(c2s1)OC(C)C)[C@H](N)
    O)/N; CC(C)Oc1ccc([C@H](N)O)c2cc(sc12)C(
    N)=N; CC(C)Oc1ccc([CH](N)O)c2cc(sc12)C(N
    )=N; CC(C)Oc1ccc(c2c1sc(c2)C(=N)N)C(N)O    		 4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
    35956 SG1
    CHEMBL121291
    DB04394
    ZINC000004016411    		 1 C10 H11 N3 O5 S InChI=1S/C10H11N3O5S/c11-
    19(17,18)7-3-4-8(9(6-7)13
    (15)16)12-5-1-2-10(12)14/
    h3-4,6H,1-2,5H2,(H2,11,17
    ,18);
    FPCPYSKJIRSWIG-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(N2CCCC2=O)c(c1)[N+]([O
    -])=O; O=S(=O)(c1cc(c(cc1)N2C(=O)CCC2)[N
    +]([O-])=O)N; c1cc(c(cc1S(=O)(=O)N)[N+](
    =O)[O-])N2CCCC2=O    		 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE
    35957 SG2
    CHEMBL334167
    DB03294    		 1 C8 H8 N2 O3 S2 InChI=1S/C8H8N2O3S2/c1-10
    -7-3-2-5(15(9,12)13)4-6(7
    )8(11)14-10/h2-4H,1H3,(H2
    ,9,12,13);
    DFPYCCVFXMWMJM-UHFFFAOYSA-N    		 O=S(=O)(c1cc2C(=O)SN(c2cc1)C)N; CN1SC(=O
    )c2cc(ccc12)[S](N)(=O)=O; CN1c2ccc(cc2C(
    =O)S1)S(=O)(=O)N    		 1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-5-SULFONIC ACID AMIDE
    35958 SG3 1 C6 H12 F O5 P InChI=1S/C6H12FO5P/c1-6(7
    ,4-8)5(9)2-3-13(10,11)12/
    h2-3,5,8-9H,4H2,1H3,(H2,1
    0,11,12)/t5-,6+/m1/s1;
    FDKJTMXXMPIUAL-RITPCOANSA-N    		 C[C](F)(CO)[CH](O)C=C[P](O)(O)=O; C[C@](
    F)(CO)[C@H](O)/C=C/[P](O)(O)=O; O=P(O)(O
    )/C=C/C(O)C(F)(C)CO; CC(CO)(C(C=CP(=O)(O
    )O)O)F; C[C@](CO)([C@@H](C=CP(=O)(O)O)O)
    F    		 [(1E,3R,4S)-4-FLUORO-3,5-DIHYDROXY-4-METHYLPENT-1-EN-1-YL]PHOSPHONIC ACID
    35959 SG4
    ZINC000098209400    		 1 C10 H17 N O10 S InChI=1S/C10H17NO10S/c1-4
    (12)19-8-6(3-18-22(11,16)
    17)21-10(15)7(14)9(8)20-5
    (2)13/h6-10,14-15H,3H2,1-
    2H3,(H2,11,16,17)/t6-,7-,
    8-,9-,10+/m1/s1;
    XQYNJXXCRGRITM-IGORNWKESA-N    		 CC(=O)OC1C(OC(C(C1OC(=O)C)O)O)COS(=O)(=O
    )N; CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([
    C@H]1OC(=O)C)O)O)COS(=O)(=O)N; CC(=O)O[C
    H]1[CH](O)[CH](O)O[CH](CO[S](N)(=O)=O)[C
    H]1OC(C)=O; CC(=O)O[C@@H]1[C@@H](O)[C@@H
    ](O)O[C@H](CO[S](N)(=O)=O)[C@H]1OC(C)=O;
    O=S(=O)(OCC1OC(O)C(O)C(OC(=O)C)C1OC(=O)
    C)N    		 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucopyranose;
    3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucose;
    3,4-di-O-acetyl-6-O-sulfamoyl-D-glucose;
    3,4-di-O-acetyl-6-O-sulfamoyl-glucose
    35960 SG5
    ZINC000098209401    		 1 C15 H25 N O11 S InChI=1S/C15H25NO11S/c1-4
    -9(17)25-12-8(7-23-28(16,
    21)22)24-15(20)14(27-11(1
    9)6-3)13(12)26-10(18)5-2/
    h8,12-15,20H,4-7H2,1-3H3,
    (H2,16,21,22)/t8-,12-,13+
    ,14-,15+/m1/s1;
    TUQHVAPJYYJQSN-WMNSZERYSA-N    		 CCC(=O)O[CH]1[CH](O)O[CH](CO[S](N)(=O)=O
    )[CH](OC(=O)CC)[CH]1OC(=O)CC; CCC(=O)OC1
    C(OC(C(C1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)
    N; CCC(=O)O[C@H]1[C@@H](O)O[C@H](CO[S](N
    )(=O)=O)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC;
    O=S(=O)(OCC1OC(O)C(OC(=O)CC)C(OC(=O)CC)
    C1OC(=O)CC)N; CCC(=O)O[C@@H]1[C@H](O[C@@
    H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(
    =O)(=O)N    		 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose;
    2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucose;
    2,3,4-tri-O-propanoyl-6-O-sulfamoyl-D-glucose;
    2,3,4-tri-O-propanoyl-6-O-sulfamoyl-glucose
    35961 SG6
    ZINC000098209402    		 1 C8 H15 N O9 S InChI=1S/C8H15NO9S/c1-3(1
    0)17-7-4(2-16-19(9,14)15)
    18-8(13)6(12)5(7)11/h4-8,
    11-13H,2H2,1H3,(H2,9,14,1
    5)/t4-,5-,6-,7+,8+/m1/s1;
    FXBYYANFSLVRSY-YQXRAVKXSA-N    		 CC(=O)O[CH]1[CH](O)[CH](O)[CH](O)O[CH]1C
    O[S](N)(=O)=O; CC(=O)O[C@@H]1[C@H](O)[C@
    @H](O)[C@@H](O)O[C@@H]1CO[S](N)(=O)=O; C
    C(=O)OC1C(OC(C(C1O)O)O)COS(=O)(=O)N; CC(
    =O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O
    )O)COS(=O)(=O)N; O=S(=O)(OCC1OC(O)C(O)C(
    O)C1OC(=O)C)N    		 4-O-acetyl-6-O-sulfamoyl-alpha-D-galactopyranose;
    4-O-acetyl-6-O-sulfamoyl-alpha-D-galactose;
    4-O-acetyl-6-O-sulfamoyl-D-galactose;
    4-O-acetyl-6-O-sulfamoyl-galactose
    35962 SG7
    ZINC000098209403    		 1 C10 H17 N O10 S InChI=1S/C10H17NO10S/c1-4
    (12)19-8-6(3-18-22(11,16)
    17)21-10(15)7(14)9(8)20-5
    (2)13/h6-10,14-15H,3H2,1-
    2H3,(H2,11,16,17)/t6-,7+,
    8-,9-,10+/m1/s1;
    XQYNJXXCRGRITM-ZOZBQHSOSA-N    		 CC(=O)OC1C(OC(C(C1OC(=O)C)O)O)COS(=O)(=O
    )N; CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C
    @H]1OC(=O)C)O)O)COS(=O)(=O)N; CC(=O)O[CH
    ]1[CH](O)[CH](O)O[CH](CO[S](N)(=O)=O)[CH
    ]1OC(C)=O; CC(=O)O[C@@H]1[C@H](O)[C@@H](
    O)O[C@H](CO[S](N)(=O)=O)[C@H]1OC(C)=O; O
    =S(=O)(OCC1OC(O)C(O)C(OC(=O)C)C1OC(=O)C)
    N    		 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannopyranose;
    3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannose;
    3,4-di-O-acetyl-6-O-sulfamoyl-D-mannose;
    3,4-di-O-acetyl-6-O-sulfamoyl-mannose
    35963 SG8 1 C28 H26 Cl F2 N3 O S InChI=1S/C28H26ClF2N3OS/c
    1-32-20-5-7-21(8-6-20)34(
    16-17-3-2-4-19(15-17)18-1
    1-13-33-14-12-18)28(35)27
    -25(29)24-22(30)9-10-23(3
    1)26(24)36-27/h2-4,9-15,2
    0-21,32H,5-8,16H2,1H3/t20
    -,21-;
    RXZDWPYJFCAZCW-MEMLXQNLSA-N    		 CN[C@H]1CC[C@@H](CC1)N(Cc2cccc(c2)c3ccnc
    c3)C(=O)c4sc5c(F)ccc(F)c5c4Cl; CNC1CCC(C
    C1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5c(cc
    c(c5s4)F)F)Cl; CN[CH]1CC[CH](CC1)N(Cc2cc
    cc(c2)c3ccncc3)C(=O)c4sc5c(F)ccc(F)c5c4C
    l; Fc1ccc(F)c2sc(c(Cl)c12)C(=O)N(C3CCC(N
    C)CC3)Cc5cccc(c4ccncc4)c5    		 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide
    35964 SG9 1 C63 H95 Cl O21 InChI=1S/C63H95ClO21/c1-3
    3(19-42(67)18-17-35(3)64)
    20-53-55(72)57-39(7)58(79
    -53)59(73)63(75)31-51(70)
    37(5)52(85-63)16-14-12-13
    -15-44-22-43(68)27-61(81-
    44)29-47(76-11)23-45(82-6
    1)25-50(69)38(6)56(78-41(
    9)66)36(4)34(2)21-49-28-6
    0(10,74)32-62(84-49)30-48
    (77-40(8)65)24-46(83-62)2
    6-54(71)80-57/h13,15,17-1
    8,36-39,42-49,51-53,55-59
    ,67-68,70,72-75H,1-3,12,1
    4,16,19-32H2,4-11H3/b15-1
    3-,18-17+/t36-,37-,38-,39
    -,42-,43+,44+,45+,46-,47+
    ,48+,49+,51+,52-,53-,55-,
    56+,57-,58-,59+,60+,61-,6
    2-,63-/m1/s1;
    ICXJVZHDZFXYQC-XKQUEHJYSA-N    		 CO[CH]1C[CH]2CC(=O)[CH](C)[CH](OC(C)=O)[
    CH](C)C(=C)C[CH]3C[C](C)(O)C[C]4(C[CH](C
    [CH](CC(=O)O[CH]5[CH](C)[CH](O[CH](CC(=C
    )C[CH](O)C=CC(Cl)=C)[CH]5O)[CH](O)[C]6(O
    )C[CH](O)[CH](C)[CH](CCCC=C[CH]7C[CH](O)
    C[C](C1)(O2)O7)O6)O4)OC(C)=O)O3; CC1C2CC
    CC=CC3CC(CC4(O3)CC(CC(O4)CC(=O)C(C(C(C(=
    C)CC5CC(CC6(O5)CC(CC(O6)CC(=O)OC7C(C(C(C
    (O2)(CC1O)O)O)OC(C7O)CC(=C)CC(C=CC(=C)Cl
    )O)C)OC(=O)C)(C)O)C)OC(=O)C)C)OC)O; CO[C
    @H]1C[C@H]2CC(=O)[C@@H](C)[C@@H](OC(C)=O
    )[C@H](C)C(=C)C[C@H]3C[C@](C)(O)C[C@@]4(
    C[C@H](C[C@H](CC(=O)O[C@@H]5[C@@H](C)[C@
    @H](O[C@H](CC(=C)C[C@H](O)/C=C/C(Cl)=C)[
    C@H]5O)[C@H](O)[C@@]6(O)C[C@H](O)[C@@H](
    C)[C@@H](CCC\C=C/[C@H]7C[C@H](O)C[C@](C1
    )(O2)O7)O6)O4)OC(C)=O)O3; C[C@H]1[C@H]2C
    CC/C=C\[C@H]3C[C@@H](C[C@]4(O3)C[C@H](C[
    C@H](O4)CC(=O)[C@H]([C@H]([C@@H](C(=C)C[
    C@H]5C[C@](C[C@]6(O5)C[C@H](C[C@@H](O6)C
    C(=O)O[C@@H]7[C@H]([C@H]([C@@H]([C@](O2)
    (C[C@@H]1O)O)O)O[C@@H]([C@H]7O)CC(=C)C[C
    @@H](/C=C/C(=C)Cl)O)C)OC(=O)C)(C)O)C)OC(
    =O)C)C)OC)O    		 Spongistatin-1
    35965 SGA
    DB01818
    ZINC000005829868    		 18 C6 H12 O9 S InChI=1S/C6H12O9S/c7-1-2-
    3(8)5(15-16(11,12)13)4(9)
    6(10)14-2/h2-10H,1H2,(H,1
    1,12,13)/t2-,3+,4-,5+,6-/
    m1/s1;
    HHRMGTRTCHNCRO-FDROIEKHSA-N    		 O=S(=O)(OC1C(O)C(OC(O)C1O)CO)O; OC[CH]1O
    [CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O;
    OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[S](O
    )(=O)=O)[C@H]1O; C(C1C(C(C(C(O1)O)O)OS(=
    O)(=O)O)O)O; C([C@@H]1[C@@H]([C@@H]([C@H
    ]([C@@H](O1)O)O)OS(=O)(=O)O)O)O    		 3-O-sulfo-beta-D-galactopyranose;
    O3-SULFONYLGALACTOSE;
    3-O-sulfo-beta-D-galactose;
    3-O-sulfo-D-galactose;
    3-O-sulfo-galactose
    35966 SGB
    ZINC000058650096    		 0 C7 H16 N O5 P InChI=1S/C7H16NO5P/c1-5(2
    )13-14(3,11)12-4-6(8)7(9)
    10/h5-6H,4,8H2,1-3H3,(H,9
    ,10)/t6-,14-/m0/s1;
    RQYSKTURKPPJTP-MDAAJZPYSA-N    		 CC(C)O[P@](=O)(C)OC[C@@H](C(=O)O)N; CC(C
    )OP(=O)(C)OCC(C(=O)O)N; CC(C)O[P@@](C)(=
    O)OC[C@H](N)C(O)=O; CC(C)O[P](C)(=O)OC[C
    H](N)C(O)=O; O=P(OCC(N)C(=O)O)(OC(C)C)C    		 O-[(S)-METHYL(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE
    35967 SGC
    DB03584    		 64 C6 H12 O5 S InChI=1S/C6H12O5S/c7-1-2-
    5(12)3(8)4(9)6(10)11-2/h2
    -10,12H,1H2/t2-,3-,4-,5-,
    6-/m1/s1;
    KGSURTOFVLAWDC-QZABAPFNSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)
    O)O)S)O; OC[C@H]1O[C@@H](O)[C@H](O)[C@@H
    ](O)[C@@H]1S; OC1C(S)C(OC(O)C1O)CO; C(C1
    C(C(C(C(O1)O)O)O)S)O; OC[CH]1O[CH](O)[CH
    ](O)[CH](O)[CH]1S    		 4-thio-beta-D-glucopyranose;
    4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE;
    4-thio-beta-D-glucose;
    4-thio-D-glucose;
    4-thio-glucose
    35968 SGD
    CHEMBL1159476    		 3 C6 H12 O5 S InChI=1S/C6H12O5S/c7-3-2(
    1-12)11-6(10)5(9)4(3)8/h2
    -10,12H,1H2/t2-,3-,4+,5-,
    6+/m1/s1;
    OMLRWUJGVBOYQP-DVKNGEFBSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)S; OC1C(O)C(OC(O)
    C1O)CS; O[C@H]1O[C@H](CS)[C@@H](O)[C@H](
    O)[C@H]1O; O[CH]1O[CH](CS)[CH](O)[CH](O)
    [CH]1O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H
    ](O1)O)O)O)O)S    		 6-thio-alpha-D-glucopyranose;
    6-thio-alpha-D-glucose;
    6-thio-D-glucose;
    6-thio-glucose
    35969 SGE
    CHEMBL465678
    ZINC000000895645    		 2 C20 H15 N O4 InChI=1S/C20H15NO4/c1-21-
    8-15-12(4-5-16-20(15)25-1
    0-22-16)13-3-2-11-6-17-18
    (24-9-23-17)7-14(11)19(13
    )21/h2-7H,8-10H2,1H3;
    CIUHLXZTZWTVFL-UHFFFAOYSA-N    		 CN1Cc2c(ccc3c2OCO3)-c4c1c5cc6c(cc5cc4)OC
    O6; C[N@@]1Cc2c(ccc3c2OCO3)-c4c1c5cc6c(c
    c5cc4)OCO6; CN1Cc2c3OCOc3ccc2c4ccc5cc6OC
    Oc6cc5c14    		 13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine
    35970 SGF
    ZINC000064633940    		 5 C24 H47 N O10 S InChI=1S/C24H47NO10S/c1-2
    -3-4-5-6-7-8-9-10-11-12-1
    3-14-15-19(27)18(25)17-33
    -24-22(29)23(35-36(30,31)
    32)21(28)20(16-26)34-24/h
    14-15,18-24,26-29H,2-13,1
    6-17,25H2,1H3,(H,30,31,32
    )/b15-14+/t18-,19+,20+,21
    -,22+,23-,24+/m0/s1;
    BXSULSOCJNTUJS-YTBMLWRQSA-N    		 O=S(=O)(O)OC1C(O)C(OC(OCC(N)C(O)/C=C/CCC
    CCCCCCCCCC)C1O)CO; CCCCCCCCCCCCCC=C[CH](
    O)[CH](N)CO[CH]1O[CH](CO)[CH](O)[CH](O[S
    ](O)(=O)=O)[CH]1O; CCCCCCCCCCCCCC=CC(C(C
    OC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)N)O; CC
    CCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@
    H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O
    )O)N)O; CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H
    ](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[S
    ](O)(=O)=O)[C@H]1O    		 (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside;
    Sphingosine-1-galactoside-3-sulfate
    35971 SGG
    CHEMBL455185
    ZINC000031393671    		 3 C18 H22 Cl2 N O3 P InChI=1S/C18H22Cl2NO3P/c1
    -13(15-7-8-17(19)18(20)9-
    15)21-10-16(22)12-25(23,2
    4)11-14-5-3-2-4-6-14/h2-9
    ,13,16,21-22H,10-12H2,1H3
    ,(H,23,24)/t13-,16-/m0/s1;
    ZODSPDOOCZZEIM-BBRMVZONSA-N    		 CC(c1ccc(c(c1)Cl)Cl)NCC(CP(=O)(Cc2ccccc2
    )O)O; C[C@H](NC[C@H](O)C[P](O)(=O)Cc1ccc
    cc1)c2ccc(Cl)c(Cl)c2; C[C@@H](c1ccc(c(c1
    )Cl)Cl)NC[C@@H](CP(=O)(Cc2ccccc2)O)O; C[
    CH](NC[CH](O)C[P](O)(=O)Cc1ccccc1)c2ccc(
    Cl)c(Cl)c2    		 [(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid
    35972 SGH 1 C17 H13 F3 N2 InChI=1S/C17H13F3N2/c1-12
    -7-8-14(11-15(12)17(18,19
    )20)22-10-9-21-16(22)13-5
    -3-2-4-6-13/h2-11H,1H3;
    WGIXOUDUFXBHSC-UHFFFAOYSA-N    		 Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole
    35973 SGI
    ZINC000002556352    		 2 C9 H11 N O2 InChI=1S/C9H11NO2/c10-9(1
    2)6-3-7-1-4-8(11)5-2-7/h1
    -2,4-5,11H,3,6H2,(H2,10,1
    2);
    OEHZEBOCZWCVMK-UHFFFAOYSA-N    		 NC(=O)CCc1ccc(O)cc1; O=C(N)CCc1ccc(O)cc1
    ; c1cc(ccc1CCC(=O)N)O    		 3-(4-hydroxyphenyl)propanamide
    35974 SGJ 1 C6 H13 N O3 S InChI=1S/C6H13NO3S/c8-2-3
    -6(11)5(10)4(9)1-7-3/h3-1
    1H,1-2H2/t3-,4+,5-,6-/m1/
    s1;
    NSHHSUUKQHDEOL-JGWLITMVSA-N    		 C1C(C(C(C(N1)CO)S)O)O; OC[CH]1NC[CH](O)[
    CH](O)[CH]1S; OC[C@H]1NC[C@H](O)[C@@H](O
    )[C@@H]1S; C1[C@@H]([C@H]([C@@H]([C@H](N
    1)CO)S)O)O    		 1,4-dideoxy-4-thio-nojirimycin
    35975 SGK
    ZINC000021953256    		 0 C8 H10 N2 O2 InChI=1S/C8H10N2O2/c11-8(
    12)6-9-5-7-3-1-2-4-10-7/h
    1-4,9H,5-6H2,(H,11,12);
    MDMCWJVDDJDEGI-UHFFFAOYSA-N    		 OC(=O)CNCc1ccccn1; c1ccnc(c1)CNCC(=O)O 2-(pyridin-2-ylmethylamino)ethanoic acid
    35976 SGL
    DB01684    		 2 C3 H8 O3 S InChI=1S/C3H8O3S/c4-1-3(5
    )2-7-6/h3-6H,1-2H2/t3-/m1
    /s1;
    DLQCXFUWHQZWJQ-GSVOUGTGSA-N    		 C([C@H](CSO)O)O; OC[CH](O)CSO; OCC(O)CSO
    ; C(C(CSO)O)O; OC[C@@H](O)CSO    		 1-HYDROXY-1-THIO-GLYCEROL
    35977 SGM
    DB03864
    ZINC000003860581    		 0 C3 H8 O2 S InChI=1S/C3H8O2S/c4-1-3(5
    )2-6/h3-6H,1-2H2/t3-/m1/s
    1;
    PJUIMOJAAPLTRJ-GSVOUGTGSA-N    		 C([C@H](CS)O)O; OC[CH](O)CS; OCC(O)CS; O
    C[C@@H](O)CS; C(C(CS)O)O    		 MONOTHIOGLYCEROL
    35978 SGN
    DB03959    		 168 C6 H13 N O11 S2 InChI=1S/C6H13NO11S2/c8-4
    -2(1-17-20(14,15)16)18-6(
    10)3(5(4)9)7-19(11,12)13/
    h2-10H,1H2,(H,11,12,13)(H
    ,14,15,16)/t2-,3-,4-,5-,6
    +/m1/s1;
    DQTRACMFIGDHSN-UKFBFLRUSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N
    S(=O)(=O)O)O)O)OS(=O)(=O)O; O[CH]1O[CH](
    CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O
    )(=O)=O; C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)
    O)OS(=O)(=O)O; O=S(=O)(O)OCC1OC(O)C(NS(=
    O)(=O)O)C(O)C1O; O[C@H]1O[C@H](CO[S](O)(
    =O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](O)(=O)
    =O    		 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose;
    N,O6-DISULFO-GLUCOSAMINE;
    6-O-sulfo-N-sulfo-alpha-D-glucosamine;
    2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose;
    2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucose;
    2-deoxy-6-O-sulfo-2-(sulfoamino)-glucose
    35979 SGO
    CHEMBL5286485
    ZINC000012886278    		 1 C22 H25 N O3 InChI=1S/C22H25NO3/c1-15-
    6-9-18(10-7-15)20(14-22(2
    5)26)23-21(24)13-16-8-11-
    17-4-2-3-5-19(17)12-16/h6
    -12,20H,2-5,13-14H2,1H3,(
    H,23,24)(H,25,26)/t20-/m0
    /s1;
    IRCYEUOLXYXORC-FQEVSTJZSA-N    		 Cc1ccc(cc1)[C@H](CC(O)=O)NC(=O)Cc2ccc3CC
    CCc3c2; Cc1ccc(cc1)C(CC(=O)O)NC(=O)Cc2cc
    c3c(c2)CCCC3; Cc1ccc(cc1)[CH](CC(O)=O)NC
    (=O)Cc2ccc3CCCCc3c2; Cc1ccc(cc1)[C@H](CC
    (=O)O)NC(=O)Cc2ccc3c(c2)CCCC3    		 (3S)-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid
    35980 SGP
    DB03178    		 9 C10 H12 N5 O6 P S InChI=1S/C10H12N5O6PS/c11
    -10-13-7-4(8(17)14-10)12-
    2-15(7)9-6-5(3(1-16)19-9)
    20-22(18,23)21-6/h2-3,5-6
    ,9,16H,1H2,(H,18,23)(H3,1
    1,13,14,17)/t3-,5-,6-,9-,
    22+/m1/s1;
    QZEROIIFJLCOOE-FHIGPPGSSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]4
    O[P](O)(=S)O[CH]34; NC1=Nc2n(cnc2C(=O)N1
    )[C@@H]3O[C@H](CO)[C@H]4O[P@](O)(=S)O[C@
    @H]34; S=P1(OC2C(OC(C2O1)CO)n3c4N=C(N)NC
    (=O)c4nc3)O; c1nc2c(n1[C@H]3[C@H]4[C@@H]
    ([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N;
    c1nc2c(n1C3C4C(C(O3)CO)OP(=S)(O4)O)N=C(
    NC2=O)N    		 GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE
    35981 SGR
    ZINC000058638782    		 0 C4 H11 N2 O5 P InChI=1S/C4H11N2O5P/c1-10
    -12(6,9)11-2-3(5)4(7)8/h3
    H,2,5H2,1H3,(H2,6,9)(H,7,
    8)/t3-,12+/m0/s1;
    SQHZWLBEEDRWJP-UCWKHXCOSA-N    		 O=P(OC)(OCC(N)C(=O)O)N; COP(=O)(N)OCC(C(
    =O)O)N; CO[P@](=O)(N)OC[C@@H](C(=O)O)N;
    CO[P@@](N)(=O)OC[C@H](N)C(O)=O; CO[P](N)
    (=O)OC[CH](N)C(O)=O    		 O-[(R)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE
    35982 SGS
    ZINC000004095571    		 0 C17 H22 O10 InChI=1S/C17H22O10/c1-24-
    9-5-8(6-10(25-2)13(9)20)3
    -4-12(19)27-17-16(23)15(2
    2)14(21)11(7-18)26-17/h3-
    6,11,14-18,20-23H,7H2,1-2
    H3/b4-3+/t11-,14-,15+,16-
    ,17+/m1/s1;
    XRKBRPFTFKKHEF-DGDBGZAXSA-N    		 COc1cc(cc(c1O)OC)C=CC(=O)OC2C(C(C(C(O2)C
    O)O)O)O; COc1cc(cc(c1O)OC)\C=C\C(=O)O[C@
    H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
    ; COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@
    @H](O)[C@H](O)[C@H]2O)cc(OC)c1O; COc1cc(
    C=CC(=O)O[CH]2O[CH](CO)[CH](O)[CH](O)[CH
    ]2O)cc(OC)c1O; O=C(OC1OC(C(O)C(O)C1O)CO)
    \C=C\c2cc(OC)c(O)c(OC)c2    		 (E)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2H-PYRAN-2-YL 3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)ACRYLATE;
    1-O-SINAPOYL-BETA-D-GLUCOSE
    35983 SGT 1 C10 H16 N5 O12 P3 S InChI=1S/C10H16N5O12P3S/c
    11-10-13-8-7(9(31)14-10)1
    2-3-15(8)6-1-4(16)5(25-6)
    2-24-29(20,21)27-30(22,23
    )26-28(17,18)19/h3-6,16H,
    1-2H2,(H,20,21)(H,22,23)(
    H2,17,18,19)(H3,11,13,14,
    31)/t4-,5+,6+/m0/s1;
    BXZRFHUVVWIHMV-KVQBGUIXSA-N    		 P(=O)(O)(O)OP(OP(=O)(O)OCC1OC(CC1O)n2cnc
    3C(=S)NC(=Nc23)N)(O)=O; NC1=Nc2n(cnc2C(=
    S)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](
    O)(=O)O[P](O)(O)=O)O3; NC1=Nc2n(cnc2C(=S
    )N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[
    P](O)(=O)O[P](O)(O)=O)O3; c1nc2c(n1C3CC(
    C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C
    (NC2=S)N; c1nc2c(n1[C@H]3C[C@@H]([C@H](O
    3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC
    2=S)N    		 2-amino-9-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-1,9-dihydro-6H-purine-6-thione
    35984 SGU 1 C5 H10 O3 InChI=1S/C5H10O3/c1-4-2-3
    -5(6,7)8-4/h4,6-7H,2-3H2,
    1H3/t4-/m0/s1;
    MGKWNPVXYGZJRN-BYPYZUCNSA-N    		 C[C@H]1CCC(O1)(O)O; CC1CCC(O)(O)O1; CC1C
    CC(O1)(O)O; C[C@H]1CCC(O)(O)O1; C[CH]1CC
    C(O)(O)O1    		 (5S)-5-methyloxolane-2,2-diol
    35985 SGV
    CHEMBL101892
    ZINC000004217438    		 16 C12 H15 N5 O5 InChI=1S/C12H15N5O5/c13-9
    -6-4(10(14)21)1-17(11(6)1
    6-3-15-9)12-8(20)7(19)5(2
    -18)22-12/h1,3,5,7-8,12,1
    8-20H,2H2,(H2,14,21)(H2,1
    3,15,16)/t5-,7-,8-,12-/m1
    /s1;
    OBZJZDHRXBKKTJ-JTFADIMSSA-N    		 c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)C(=O)
    N; O=C(c2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
    )N; NC(=O)c1cn([CH]2O[CH](CO)[CH](O)[CH]
    2O)c3ncnc(N)c13; c1c(c2c(ncnc2n1[C@H]3[C
    @@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N; NC
    (=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]
    2O)c3ncnc(N)c13    		 SANGIVAMYCIN;
    4-amino-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
    35986 SGW
    ZINC000146260947    		 2 C16 H12 Cl N O2 InChI=1S/C16H12ClNO2/c1-2
    0-15-4-2-3-12-13(15)9-14(
    18-16(12)19)10-5-7-11(17)
    8-6-10/h2-9H,1H3,(H,18,19
    );
    HOGRHKSROKQSOE-UHFFFAOYSA-N    		 Clc3ccc(C2=Cc1c(cccc1OC)C(=O)N2)cc3; COc
    1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl; COc1cccc
    2C(=O)NC(=Cc12)c3ccc(Cl)cc3    		 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one
    35987 SGX
    ZINC000058638783    		 0 C4 H11 N2 O5 P InChI=1S/C4H11N2O5P/c1-10
    -12(6,9)11-2-3(5)4(7)8/h3
    H,2,5H2,1H3,(H2,6,9)(H,7,
    8)/t3-,12-/m0/s1;
    SQHZWLBEEDRWJP-CMEQDNRLSA-N    		 O=P(OC)(OCC(N)C(=O)O)N; COP(=O)(N)OCC(C(
    =O)O)N; CO[P@](N)(=O)OC[C@H](N)C(O)=O; C
    OP(=O)(N)OC[C@@H](C(=O)O)N; CO[P](N)(=O)
    OC[CH](N)C(O)=O    		 O-[(S)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE
    35988 SGZ
    ZINC000039248410    		 0 C12 H10 O InChI=1S/C12H10O/c13-9-8-
    11-6-3-5-10-4-1-2-7-12(10
    )11/h1-7,9H,8H2;
    CCHAJZURXPPHJU-UHFFFAOYSA-N    		 O=CCc1cccc2ccccc12; c1ccc2c(c1)cccc2CC=O 2-naphthalen-1-ylethanal
    35989 SH0
    ZINC000263620907    		 4 C42 H52 N4 O16 InChI=1S/C42H52N4O16/c1-4
    1(17-39(59)60)23(5-9-35(5
    1)52)29-14-27-21(11-37(55
    )56)19(3-7-33(47)48)25(43
    -27)13-26-20(4-8-34(49)50
    )22(12-38(57)58)28(44-26)
    15-31-42(2,18-40(61)62)24
    (6-10-36(53)54)30(46-31)1
    6-32(41)45-29/h14-16,19,2
    1,23-26,30,45-46H,3-13,17
    -18H2,1-2H3,(H,47,48)(H,4
    9,50)(H,51,52)(H,53,54)(H
    ,55,56)(H,57,58)(H,59,60)
    (H,61,62)/b29-14-,31-15-,
    32-16-/t19-,21-,23+,24+,2
    5+,26-,30+,41-,42-/m0/s1;
    PTDGOSZHGZMQAZ-IIRIWOCESA-N    		 C[C]1(CC(O)=O)[CH](CCC(O)=O)[CH]2NC1=CC3
    =N[CH](C[CH]4N=C(C=C5NC(=C2)[C](C)(CC(O)
    =O)[CH]5CCC(O)=O)[CH](CC(O)=O)[CH]4CCC(O
    )=O)C(=C3CC(O)=O)CCC(O)=O; C[C@@]\1([C@@
    H](C2/C=C\3/[C@@]([C@@H](/C(=C/C4=N[C@H]
    (C[C@H]5C(=C(C(=N5)/C=C1\N2)CC(=O)O)CCC(
    =O)O)[C@H]([C@@H]4CC(=O)O)CCC(=O)O)/N3)C
    CC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O; C[C
    @]/1(CC(O)=O)[C@H](CCC(O)=O)[C@@H]\2NC/1
    =C/C3=N[C@@H](C[C@H]4N=C(/C=C/5NC(=C\2)\
    [C@@](C)(CC(O)=O)[C@@H]/5CCC(O)=O)[C@@H]
    (CC(O)=O)[C@@H]4CCC(O)=O)C(=C3CC(O)=O)CC
    C(O)=O; CC1(C(C2C=C3C(C(C(=CC4=NC(CC5C(=
    C(C(=N5)C=C1N2)CC(=O)O)CCC(=O)O)C(C4CC(=
    O)O)CCC(=O)O)N3)CCC(=O)O)(C)CC(=O)O)CCC(
    =O)O)CC(=O)O; O=C(O)CCC1=C(C2=NC1CC5N=C(
    C=C4NC(=CC3NC(=C2)C(C)(C3CCC(=O)O)CC(=O)
    O)C(CC(=O)O)(C)C4CCC(=O)O)C(CC(=O)O)C5CC
    C(=O)O)CC(=O)O    		 3,3',3'',3'''-[(1R,2S,3S,4S,7S,8S,11S,12S,13S,16S,19S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate;
    Sirohydrochlorin
    35990 SH1
    ZINC000016051599    		 1 C20 H34 N6 O6 S InChI=1S/C20H34N6O6S/c1-1
    4(18(29)25-16(12-27)8-5-1
    0-23-20(21)22)24-19(30)17
    (13-28)26-33(31,32)11-9-1
    5-6-3-2-4-7-15/h2-4,6-7,1
    4,16-17,26-28H,5,8-13H2,1
    H3,(H,24,30)(H,25,29)(H4,
    21,22,23)/t14-,16-,17+/m0
    /s1;
    RWZMJXITHWDHNE-BHYGNILZSA-N    		 O=C(NC(CCC/N=C(\N)N)CO)C(NC(=O)C(NS(=O)(
    =O)CCc1ccccc1)CO)C; CC(C(=O)NC(CCCN=C(N)
    N)CO)NC(=O)C(CO)NS(=O)(=O)CCc1ccccc1; C[
    C@H](NC(=O)[C@@H](CO)N[S](=O)(=O)CCc1ccc
    cc1)C(=O)N[C@H](CO)CCCN=C(N)N; C[C@@H](C
    (=O)N[C@@H](CCCN=C(N)N)CO)NC(=O)[C@@H](C
    O)NS(=O)(=O)CCc1ccccc1; C[CH](NC(=O)[CH]
    (CO)N[S](=O)(=O)CCc1ccccc1)C(=O)N[CH](CO
    )CCCN=C(N)N    		 N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]-1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE
    35991 SH2
    ZINC000098209405    		 2 C18 H26 N2 O6 InChI=1S/C18H26N2O6/c1-18
    (2,10-21)16(23)17(24)20-8
    -6-15(22)19-7-5-12-3-4-13
    -14(9-12)26-11-25-13/h3-4
    ,9,16,21,23H,5-8,10-11H2,
    1-2H3,(H,19,22)(H,20,24)/
    t16-/m0/s1;
    WTOXXQQUHIAOIP-INIZCTEOSA-N    		 CC(C)(CO)C(C(=O)NCCC(=O)NCCc1ccc2c(c1)OC
    O2)O; CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCc1c
    cc2c(c1)OCO2)O; CC(C)(CO)[CH](O)C(=O)NCC
    C(=O)NCCc1ccc2OCOc2c1; CC(C)(CO)[C@@H](O
    )C(=O)NCCC(=O)NCCc1ccc2OCOc2c1; O=C(NCCC
    (=O)NCCc1ccc2OCOc2c1)C(O)C(C)(C)CO    		 (R)-N-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
    35992 SH3
    ZINC000098209406    		 16 C18 H27 N2 O9 P InChI=1S/C18H27N2O9P/c1-1
    8(2,10-29-30(24,25)26)16(
    22)17(23)20-8-6-15(21)19-
    7-5-12-3-4-13-14(9-12)28-
    11-27-13/h3-4,9,16,22H,5-
    8,10-11H2,1-2H3,(H,19,21)
    (H,20,23)(H2,24,25,26)/t1
    6-/m0/s1;
    OQCPPROGRWYIDC-INIZCTEOSA-N    		 CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCc1cc
    c2c(c1)OCO2)O; CC(C)(CO[P](O)(O)=O)[CH](
    O)C(=O)NCCC(=O)NCCc1ccc2OCOc2c1; CC(C)(C
    OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c
    (c1)OCO2)O; CC(C)(CO[P](O)(O)=O)[C@@H](O
    )C(=O)NCCC(=O)NCCc1ccc2OCOc2c1; O=P(O)(O
    )OCC(C)(C)C(O)C(=O)NCCC(=O)NCCc1ccc2OCOc
    2c1    		 N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
    35993 SH4
    DB08545    		 2 C17 H19 N O4 P InChI=1S/C17H20NO4P/c1-13
    (16-6-4-3-5-7-16)22-23(20
    ,21)12-15-8-10-17(11-9-15
    )18-14(2)19/h3-11,13H,12H
    2,1-2H3,(H,18,19)(H,20,21
    )/p-1/t13-/m0/s1;
    YPTMOJMDCPUCJT-ZDUSSCGKSA-M    		 C[C@H](O[P]([O-])(=O)Cc1ccc(NC(C)=O)cc1)
    c2ccccc2; C[CH](O[P]([O-])(=O)Cc1ccc(NC(
    C)=O)cc1)c2ccccc2; CC(c1ccccc1)OP(=O)(Cc
    2ccc(cc2)NC(=O)C)[O-]; C[C@@H](c1ccccc1)
    OP(=O)(Cc2ccc(cc2)NC(=O)C)[O-]; O=C(Nc1c
    cc(cc1)CP([O-])(=O)OC(c2ccccc2)C)C    		 (1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE;
    (1S)-1PHENYLETHYL [4-(ACETYLAMINO) BENZYL] PHOSPHATE
    35994 SH5 2 C18 H27 Br N5 O8 P InChI=1S/C18H27BrN5O8P/c1
    9-7-5-3-1-2-4-6-12(25)32-
    33(28,29)30-8-11-14(26)15
    (27)18(31-11)24-10-23-13-
    16(20)21-9-22-17(13)24/h9
    -11,14-15,18,26-27H,1-8H2
    ,(H,28,29)(H2,20,21,22)/t
    11-,14-,15-,18-/m1/s1;
    UBTOIYSSWKLJCN-XKLVTHTNSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COP(=O)(O)OC(=O)CCCCCCCBr)O)O)N;
    Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O
    C(=O)CCCCCCCBr)[CH](O)[CH]3O; BrCCCCCCCC
    (=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O
    )C3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P
    ](O)(=O)OC(=O)CCCCCCCBr)[C@@H](O)[C@H]3O
    ; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O
    )OC(=O)CCCCCCCBr)O)O)N    		 5'-O-[(S)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine
    35995 SH6
    ZINC000002504410    		 1 C8 H15 Br O2 InChI=1S/C8H15BrO2/c9-7-5
    -3-1-2-4-6-8(10)11/h1-7H2
    ,(H,10,11);
    BKJFDZSBZWHRNH-UHFFFAOYSA-N    		 C(CCCC(=O)O)CCCBr; OC(=O)CCCCCCCBr; O=C(
    O)CCCCCCCBr    		 8-bromooctanoic acid
    35996 SH7
    CHEMBL383153
    ZINC000013676449    		 13 C17 H11 Cl O4 InChI=1S/C17H11ClO4/c1-10
    -5-6-15-11(7-10)8-14(17(2
    0)22-15)16(19)21-13-4-2-3
    -12(18)9-13/h2-9H,1H3;
    BZDNWZYKPRTPIF-UHFFFAOYSA-N    		 Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(Cl)c3
    ; Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c
    3)Cl    		 (3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate
    35997 SH8
    CHEMBL577123
    ZINC000002023765    		 14 C11 H8 O4 InChI=1S/C11H8O4/c1-6-2-3
    -9-7(4-6)5-8(10(12)13)11(
    14)15-9/h2-5H,1H3,(H,12,1
    3);
    FJICLQQBBFWGMZ-UHFFFAOYSA-N    		 Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O; Cc1ccc2O
    C(=O)C(=Cc2c1)C(O)=O    		 6-methyl-2-oxidanylidene-chromene-3-carboxylic acid
    35998 SH9 1 C11 H12 N2 O S InChI=1S/C11H12N2OS/c1-2-
    14-8-4-3-5-9-7(8)6-10(15-
    9)11(12)13/h3-6H,2H2,1H3,
    (H3,12,13);
    LOIXMYZGPMLLIW-UHFFFAOYSA-N    		 CCOc1cccc2c1cc(s2)C(=N)N; [H]/N=C(\c1cc2
    c(cccc2s1)OCC)/N; CCOc1cccc2sc(cc12)C(N)
    =N    		 4-ethoxy-1-benzothiophene-2-carboximidamide
    35999 SHA
    CHEMBL309339
    DB03819
    ZINC000018169763    		 8 C7 H7 N O3 InChI=1S/C7H7NO3/c9-6-4-2
    -1-3-5(6)7(10)8-11/h1-4,9
    ,11H,(H,8,10);
    HBROZNQEVUILML-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)NO)O; O=C(c1ccccc1O)NO;
    ONC(=O)c1ccccc1O    		 SALICYLHYDROXAMIC ACID
    36000 SHB
    CHEMBL490226
    ZINC000004336491    		 0 C7 H12 O7 InChI=1S/C7H12O7/c1-13-7(
    12)5-3(9)2(8)4(10)6(11)14
    -5/h2-6,8-11H,1H3/t2-,3+,
    4+,5-,6+/m0/s1;
    DICCNWCUKCYGNF-SXUWKVJYSA-N    		 COC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)
    [C@H]1O; COC(=O)[C@@H]1[C@@H]([C@@H]([C@
    H]([C@@H](O1)O)O)O)O; O=C(OC)C1OC(O)C(O)
    C(O)C1O; COC(=O)C1C(C(C(C(O1)O)O)O)O; CO
    C(=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O    		 methyl beta-D-galactopyranuronate
    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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