Home Research COVID-19 Services Publications People Teaching Job Opening News Forum --> -->
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

Search Ligand

Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

Browse Ligand

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

    • << < 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 > >>
    Go to page
    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    34601
    RCL
    CHEMBL1235634
    ZINC000003875925    		 3 C18 H34 O3 InChI=1S/C18H34O3/c1-2-3-
    4-11-14-17(19)15-12-9-7-5
    -6-8-10-13-16-18(20)21/h9
    ,12,17,19H,2-8,10-11,13-1
    6H2,1H3,(H,20,21)/b12-9+/
    t17-/m1/s1;
    WBHHMMIMDMUBKC-XLNAKTSKSA-N    		 CCCCCCC(CC=CCCCCCCCC(=O)O)O; O=C(O)CCCCC
    CC/C=C/CC(O)CCCCCC; CCCCCC[C@@H](O)C/C=C
    /CCCCCCCC(O)=O; CCCCCC[CH](O)CC=CCCCCCCC
    C(O)=O; CCCCCC[C@H](C\C=C\CCCCCCCC(=O)O)
    O    		 RICINOLEIC ACID
    34602
    RCM
    CHEMBL370438
    ZINC000013983453    		 2 C13 H12 Cl N3 O2 InChI=1S/C13H12ClN3O2/c1-
    17-12(18)10(16-13(17)19)5
    -7-6-15-11-8(7)3-2-4-9(11
    )14/h2-4,6,10,15H,5H2,1H3
    ,(H,16,19)/t10-/m1/s1;
    WIKGAEMMNQTUGL-SNVBAGLBSA-N    		 CN1C(=O)N[CH](Cc2c[nH]c3c(Cl)cccc23)C1=O
    ; CN1C(=O)C(NC1=O)Cc2c[nH]c3c2cccc3Cl; C
    N1C(=O)[C@H](NC1=O)Cc2c[nH]c3c2cccc3Cl;
    CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=
    O; O=C1NC(C(=O)N1C)Cc3c2cccc(Cl)c2nc3    		 (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
    34603
    RCN
    CHEMBL4856775    		 4 C8 H7 Cl N4 InChI=1S/C8H7ClN4/c9-5-1-
    2-7(10)6(3-5)8-4-11-13-12
    -8/h1-4H,10H2,(H,11,12,13
    );
    LLSXNXRQHHVPLS-UHFFFAOYSA-N    		 c1cc(c(cc1Cl)c2cn[nH]n2)N; Nc1ccc(Cl)cc1
    c2cn[nH]n2    		 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline;
    MMG-0363
    34604
    RCO
    CHEMBL24147
    DB11085
    ZINC000000002028    		 23 C6 H6 O2 InChI=1S/C6H6O2/c7-5-2-1-
    3-6(8)4-5/h1-4,7-8H;
    GHMLBKRAJCXXBS-UHFFFAOYSA-N    		 c1cc(cc(c1)O)O; Oc1cccc(O)c1 RESORCINOL;
    1,3-BENZENEDIOL;
    1,3-DIHYDROXYBENZENE
    34605
    RCP
    CHEMBL208943
    ZINC000003962830    		 19 C30 H35 N3 O3 InChI=1S/C30H35N3O3/c34-2
    9(32-16-18-36-19-17-32)24
    -8-5-13-33(21-24)25-11-14
    -31(15-12-25)30(35)28-26-
    9-3-1-6-22(26)20-23-7-2-4
    -10-27(23)28/h1-4,6-7,9-1
    0,20,24-25H,5,8,11-19,21H
    2/t24-/m1/s1;
    LDQKDRLEMKIYMC-XMMPIXPASA-N    		 c1ccc2c(c1)cc3ccccc3c2C(=O)N4CCC(CC4)N5C
    CCC(C5)C(=O)N6CCOCC6; O=C([C@@H]1CCCN(C1
    )C2CCN(CC2)C(=O)c3c4ccccc4cc5ccccc35)N6C
    COCC6; O=C(N1CCOCC1)C6CCCN(C5CCN(C(=O)c4
    c2ccccc2cc3ccccc34)CC5)C6; c1ccc2c(c1)cc
    3ccccc3c2C(=O)N4CCC(CC4)[N@]5CCC[C@H](C5
    )C(=O)N6CCOCC6; O=C([CH]1CCCN(C1)C2CCN(C
    C2)C(=O)c3c4ccccc4cc5ccccc35)N6CCOCC6    		 (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE
    34606
    RCQ
    CHEMBL4871312    		 4 C8 H7 Cl N4 InChI=1S/C8H7ClN4/c9-5-1-
    2-7(10)6(3-5)8-11-4-12-13
    -8/h1-4H,10H2,(H,11,12,13
    );
    YLZNCOGLABONRN-UHFFFAOYSA-N    		 Nc1ccc(Cl)cc1c2[nH]ncn2; c1cc(c(cc1Cl)c2
    [nH]ncn2)N    		 4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline;
    MMG-0706
    34607
    RCR    		 1 C18 H16 Br F N4 O2 InChI=1S/C18H16BrFN4O2/c1
    9-10-2-3-11-12(6-10)23-14
    -13(11)15(22-9-21-14)24-7
    -17(4-1-5-17)18(20,8-24)1
    6(25)26/h2-3,6,9H,1,4-5,7
    -8H2,(H,25,26)(H,21,22,23
    )/t18-/m1/s1;
    RIJVOOFUJLZCSA-GOSISDBHSA-N    		 OC(=O)[C]1(F)CN(CC12CCC2)c3ncnc4[nH]c5cc
    (Br)ccc5c34; c1cc2c(cc1Br)[nH]c3c2c(ncn3
    )N4CC5(CCC5)C(C4)(C(=O)O)F; OC(=O)[C@]1(
    F)CN(CC12CCC2)c3ncnc4[nH]c5cc(Br)ccc5c34
    ; O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc
    (Br)ccc3c12; c1cc2c(cc1Br)[nH]c3c2c(ncn3
    )N4C[C@](C5(C4)CCC5)(C(=O)O)F    		 (8R)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
    34608
    RCS    		 2 C16 H13 N2 O6 Re S InChI=1S/C13H13N2O3S.3CO.
    Re/c14-19(17,18)12-7-5-10
    (6-8-12)9-15-13(16)11-3-1
    -2-4-11;3*1-2;/h1-8H,9H2,
    (H,15,16)(H2,14,17,18);;;
    ;;
    RMIPOUPNRFHFRY-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(CNC(=O)C23[Re]|4|5|6(|
    [C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|C(=C2
    |4)C|5=C3|6)cc1; c1cc(ccc1CNC(=O)C23[CH]
    4=[CH]5[Re]426([CH]5=[CH]63)(C#O)(C#O)C#
    O)S(=O)(=O)N    		 triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(I)
    34609
    RCT
    CHEMBL4563970    		 2 C16 H14 Cl N3 InChI=1S/C16H14ClN3/c17-1
    5-8-4-7-14(16-11-18-20-19
    -16)13(15)10-9-12-5-2-1-3
    -6-12/h1-8,11H,9-10H2,(H,
    18,19,20);
    KSCUUNCHIFGAIO-UHFFFAOYSA-N    		 c1ccc(cc1)CCc2c(cccc2Cl)c3cnn[nH]3; Clc1
    cccc(c2[nH]nnc2)c1CCc3ccccc3    		 4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole;
    MMG-0472;
    5-[3-chloranyl-2-(2-phenylethyl)phenyl]-1H-1,2,3-triazole
    34610
    RCU    		 1 C15 H15 Cl F3 N O3 InChI=1S/C15H15ClF3NO3/c1
    -2-23-13(22)6-5-12(21)20-
    8-7-9-11(20)4-3-10(16)14(
    9)15(17,18)19/h3-4H,2,5-8
    H2,1H3;
    RYLCYWNNCGQOCH-UHFFFAOYSA-N    		 CCOC(=O)CCC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl
    ; CCOC(=O)CCC(=O)N1CCc2c1ccc(Cl)c2C(F)(F
    )F    		 ethyl 4-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoate
    34611
    RCV
    ZINC000019722807    		 3 C10 H13 N O3 InChI=1S/C10H13NO3/c1-13-
    10(12)7-14-9-4-2-3-8(5-9)
    6-11/h2-5H,6-7,11H2,1H3;
    HUXMCFLTUUEWMA-UHFFFAOYSA-N    		 c1ccc(CN)cc1OCC(=O)OC; COC(=O)COc1cccc(C
    N)c1; COC(=O)COc1cccc(c1)CN    		 methyl [3-(aminomethyl)phenoxy]acetate
    34612
    RCW
    CHEMBL4847829    		 4 C8 H7 Br N4 InChI=1S/C8H7BrN4/c9-5-1-
    2-7(10)6(3-5)8-11-4-12-13
    -8/h1-4H,10H2,(H,11,12,13
    );
    OCWUWXKYIUUICS-UHFFFAOYSA-N    		 c1cc(c(cc1Br)c2[nH]cnn2)N; Nc1ccc(Br)cc1
    c2[nH]cnn2    		 4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline;
    MMG-0752
    34613
    RCX
    CHEMBL122
    DB00533
    ZINC000000007455    		 2 C17 H14 O4 S InChI=1S/C17H14O4S/c1-22(
    19,20)14-9-7-12(8-10-14)1
    5-11-21-17(18)16(15)13-5-
    3-2-4-6-13/h2-10H,11H2,1H
    3;
    RZJQGNCSTQAWON-UHFFFAOYSA-N    		 CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3cccc
    c3; C[S](=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)
    c3ccccc3    		 Rofecoxib;
    Vioxx
    34614
    RCY    		 9 C12 H19 N2 O3 InChI=1S/C12H20N2O3/c1-11
    (2)7-8(12(3,4)14(11)17)13
    -9(15)5-6-10(13)16/h8,17H
    ,5-7H2,1-4H3/t8-/m1/s1;
    BGLGHMPQDJUKJG-MRVPVSSYSA-N    		 CC1(CC(C(N1[O])(C)C)N2C(=O)CCC2=O)C; CC1
    (C)C[C@@H](N2C(=O)CCC2=O)C(C)(C)N1[O]; O
    N2C(CC(N1C(=O)CCC1=O)C2(C)C)(C)C; CC1(C)
    C[CH](N2C(=O)CCC2=O)C(C)(C)N1[O]; CC1(C[
    C@H](C(N1[O])(C)C)N2C(=O)CCC2=O)C    		 (3'R)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione;
    3-Maleimido-PROXYL (bound form)
    34615
    RCZ    		 0 C38 H21 Cl N12 Ru InChI=1S/C18H9ClN4.2C10H6
    N4.Ru/c19-10-5-6-13-14(9-
    10)23-18-12-4-2-8-21-16(1
    2)15-11(17(18)22-13)3-1-7
    -20-15;2*1-2-8-10(14-6-4-
    12-8)9-7(1)11-3-5-13-9;/h
    1-9H;2*1-6H;/q;;;+2;
    CYFOMPOAWAYEMX-UHFFFAOYSA-N    		 [Ru++]|1|2|3(|n4cccc5c4c6n|1cccc6c7nc8cc
    (Cl)ccc8nc57)(|n9ccnc%10ccc%11nccn|2c%11
    c9%10)|n%12ccnc%13ccc%14nccn|3c%14c%12%1
    3; c1cc2c(cc1Cl)nc3c(n2)C4=C5C6=[N](C=CC
    =C36)[Ru+2]78([N]5=CC=C4)([N]9=CC=Nc1c9c
    2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N
    =CC=[N]81; Clc2ccc1nc3c6c5c4c(c3nc1c2)cc
    cn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8n
    ccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%1
    4ncc%13    		 Ru(TAP)2(Cl-dppz) complex
    34616
    RD0    		 2 C28 H38 N4 S InChI=1S/C28H38N4S/c1-2-1
    2-28(13-3-1,32-16-4-5-17-
    32)26-21-30-27(33-26)24-6
    -7-25-23(20-24)11-19-31(2
    5)18-10-22-8-14-29-15-9-2
    2/h6-7,11,19-22,29H,1-5,8
    -10,12-18H2;
    KBPMYBYNCAAYSC-UHFFFAOYSA-N    		 C1CCCCC1(c5sc(c2cc3c(cc2)n(cc3)CCC4CCNCC
    4)nc5)N6CCCC6; c1cc2c(ccn2CCC3CCNCC3)cc1
    c4ncc(s4)C5(CCCCC5)N6CCCC6; C1CCC(CC1)(N
    2CCCC2)c3sc(nc3)c4ccc5n(CCC6CCNCC6)ccc5c
    4    		 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
    34617
    RD1
    CHEMBL4300344    		 4 C11 H13 O10 P3 InChI=1S/C11H13O10P3/c12-
    22(13,14)11(23(15,16)17)9
    -2-1-8-6-10(21-24(18,19)2
    0)4-3-7(8)5-9/h1-6,11H,(H
    2,12,13,14)(H2,15,16,17)(
    H2,18,19,20);
    FARIWUCMYLLPRF-UHFFFAOYSA-N    		 c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)
    P(=O)(O)O; c1cc(cc2c1cc(cc2)C(P(O)(=O)O)
    P(O)(=O)O)OP(=O)(O)O; O[P](O)(=O)Oc1ccc2
    cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O    		 {[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid)
    34618
    RD2
    CHEMBL4302496    		 4 C11 H12 O7 P2 InChI=1S/C11H12O7P2/c12-1
    0-4-3-7-5-9(2-1-8(7)6-10)
    11(19(13,14)15)20(16,17)1
    8/h1-6,11-12H,(H2,13,14,1
    5)(H2,16,17,18);
    KBQHMDQNDJAVLF-UHFFFAOYSA-N    		 Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)
    =O; Oc1ccc2c(c1)ccc(C(P(O)(O)=O)P(O)(=O)
    O)c2; c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=
    O)(O)O    		 [(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)
    34619
    RD3
    CHEMBL4300669    		 4 C7 H11 O10 P3 InChI=1S/C7H11O10P3/c8-18
    (9,10)7(19(11,12)13)5-1-3
    -6(4-2-5)17-20(14,15)16/h
    1-4,7H,(H2,8,9,10)(H2,11,
    12,13)(H2,14,15,16);
    UEGWOUOGLFXILR-UHFFFAOYSA-N    		 O[P](O)(=O)Oc1ccc(cc1)C([P](O)(O)=O)[P](
    O)(O)=O; C(c1ccc(cc1)OP(=O)(O)O)(P(=O)(O
    )O)P(=O)(O)O; c1cc(ccc1C(P(=O)(O)O)P(=O)
    (O)O)OP(=O)(O)O    		 {[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid)
    34620
    RD4
    ZINC000001444885    		 11 C9 H12 N2 O InChI=1S/C9H12N2O/c1-2-12
    -8-5-3-4-7(6-8)9(10)11/h3
    -6H,2H2,1H3,(H3,10,11);
    OZPMVTBYBADRPR-UHFFFAOYSA-N    		 c1c(cc(C(=N)\N)cc1)OCC; CCOc1cccc(c1)C(N
    )=N; [H]/N=C(\c1cccc(c1)OCC)/N; CCOc1ccc
    c(c1)C(=N)N    		 3-ethoxybenzene-1-carboximidamide
    34621
    RD5    		 2 C19 H18 Cl N3 O3 S InChI=1S/C19H18ClN3O3S/c1
    -27(25,26)22-11-13-6-7-16
    (20)8-15(13)9-19(24)23-18
    -12-21-10-14-4-2-3-5-17(1
    4)18/h2-8,10,12,22H,9,11H
    2,1H3,(H,23,24);
    NPWJYOOGEVTHDL-UHFFFAOYSA-N    		 C[S](=O)(=O)NCc1ccc(Cl)cc1CC(=O)Nc2cncc3
    ccccc23; CS(=O)(=O)NCc1ccc(Cl)cc1CC(=O)N
    c1cncc2ccccc21; CS(=O)(=O)NCc1ccc(cc1CC(
    =O)Nc2cncc3c2cccc3)Cl    		 2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phenyl)-N-(isoquinolin-4-yl)acetamide
    34622
    RD6    		 1 C18 H16 Br F N4 O2 InChI=1S/C18H16BrFN4O2/c1
    9-10-2-3-11-12(6-10)23-14
    -13(11)15(22-9-21-14)24-7
    -17(4-1-5-17)18(20,8-24)1
    6(25)26/h2-3,6,9H,1,4-5,7
    -8H2,(H,25,26)(H,21,22,23
    )/t18-/m0/s1;
    RIJVOOFUJLZCSA-SFHVURJKSA-N    		 OC(=O)[C]1(F)CN(CC12CCC2)c3ncnc4[nH]c5cc
    (Br)ccc5c34; OC(=O)[C@@]1(F)CN(CC12CCC2)
    c3ncnc4[nH]c5cc(Br)ccc5c34; c1cc2c(cc1Br
    )[nH]c3c2c(ncn3)N4CC5(CCC5)C(C4)(C(=O)O)
    F; O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3c
    c(Br)ccc3c12; c1cc2c(cc1Br)[nH]c3c2c(ncn
    3)N4C[C@@](C5(C4)CCC5)(C(=O)O)F    		 (8S)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
    34623
    RD7    		 2 C27 H37 N5 S InChI=1S/C27H37N5S/c1-2-9
    -27(10-3-1,32-13-4-5-14-3
    2)25-21-29-26(33-25)23-6-
    7-24-22(20-23)8-15-31(24)
    19-18-30-16-11-28-12-17-3
    0/h6-8,15,20-21,28H,1-5,9
    -14,16-19H2;
    PWLNVBJHVGPQID-UHFFFAOYSA-N    		 c1cc2c(ccn2CCN3CCNCC3)cc1c4ncc(s4)C5(CCC
    CC5)N6CCCC6; C1CCC(CC1)(N2CCCC2)c3sc(nc3
    )c4ccc5n(CCN6CCNCC6)ccc5c4; C1CCCCC1(c5s
    c(c3cc2ccn(c2cc3)CCN4CCNCC4)nc5)N6CCCC6    		 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
    34624
    RD8
    CHEMBL455461
    DB12339
    ZINC000040379938    		 0 C22 H23 F N6 O3 InChI=1S/C22H23FN6O3/c1-1
    4(30)25-12-19-13-29(22(31
    )32-19)18-6-7-20(21(23)8-
    18)16-4-2-15(3-5-16)9-24-
    10-17-11-26-28-27-17/h2-8
    ,11,19,24H,9-10,12-13H2,1
    H3,(H,25,30)(H,26,27,28)/
    t19-/m0/s1;
    BTTNOGHPGJANSW-IBGZPJMESA-N    		 CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(c(F)c2)c3c
    cc(CNCc4c[nH]nn4)cc3; CC(=O)NC[C@H]1CN(C
    (=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]
    nn4; CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(F)
    c2)c3ccc(CNCc4c[nH]nn4)cc3; CC(=O)NCC1CN
    (C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[n
    H]nn4; c3(F)c(c1ccc(cc1)CNCc2cnnn2)ccc(c
    3)N4CC(OC4=O)CNC(C)=O    		 Radezolid;
    RX-1741
    34625
    RD9    		 1 C14 H14 F3 N O3 InChI=1S/C14H14F3NO3/c1-2
    1-13(20)6-5-12(19)18-8-7-
    9-10(14(15,16)17)3-2-4-11
    (9)18/h2-4H,5-8H2,1H3;
    ZCVAYWXZXDNCFC-UHFFFAOYSA-N    		 COC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F methyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate
    34626
    RDA
    DB08464
    ZINC000024798681    		 3 C18 H18 Cl N O8 InChI=1S/C18H18ClNO8/c1-2
    7-14-7-10(21)9(5-11(14)22
    )20-15(25)4-3-8-16(18(26)
    28-2)12(23)6-13(24)17(8)1
    9/h5-7,21-24H,3-4H2,1-2H3
    ,(H,20,25);
    GUVWEHNRWHNDRF-UHFFFAOYSA-N    		 COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc2cc(O)
    c(OC)cc2O; COc1cc(c(cc1O)NC(=O)CCc2c(c(c
    c(c2Cl)O)O)C(=O)OC)O; Clc1c(c(c(O)cc1O)C
    (=O)OC)CCC(=O)Nc2cc(O)c(OC)cc2O    		 METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE
    34627
    RDC
    CHEMBL414883
    DB03758
    ZINC000013521629    		 17 C18 H17 Cl O6 InChI=1S/C18H17ClO6/c1-9-
    6-15-14(25-15)5-3-2-4-10(
    20)7-11-16(18(23)24-9)12(
    21)8-13(22)17(11)19/h2-5,
    8-9,14-15,21-22H,6-7H2,1H
    3/b4-2+,5-3-/t9-,14-,15-/
    m1/s1;
    WYZWZEOGROVVHK-GTMNPGAYSA-N    		 CC1CC2C(O2)C=CC=CC(=O)Cc3c(c(cc(c3Cl)O)O
    )C(=O)O1; C[C@@H]1C[C@@H]2[C@H](O2)\C=C/
    C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1; C[C
    @@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc3c(C
    l)c(O)cc(O)c3C(=O)O1; O=C2C=CC=CC3OC3CC(
    OC(=O)c1c(O)cc(O)c(Cl)c1C2)C; C[CH]1C[CH
    ]2O[CH]2C=CC=CC(=O)Cc3c(Cl)c(O)cc(O)c3C(
    =O)O1    		 RADICICOL;
    MONORDEN
    34628
    RDD    		 1 C8 H11 N3 O7 InChI=1S/C8H11N3O7/c12-1-
    2-3(13)4(14)5(18-2)11-7(1
    6)9-6(15)10-8(11)17/h2-5,
    12-14H,1H2,(H2,9,10,15,16
    ,17)/t2-,3-,4-,5-/m1/s1;
    DKOBRNXETUUICC-TXICZTDVSA-N    		 OC[CH]1O[CH]([CH](O)[CH]1O)N2C(=O)NC(=O)
    NC2=O; C(C1C(C(C(O1)N2C(=O)NC(=O)NC2=O)O
    )O)O; C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C
    (=O)NC(=O)NC2=O)O)O)O; O=C1N(C(=O)NC(=O)
    N1)C2OC(C(O)C2O)CO; OC[C@H]1O[C@H]([C@H]
    (O)[C@@H]1O)N2C(=O)NC(=O)NC2=O    		 1-beta-D-ribofuranosyl-1,3,5-triazinane-2,4,6-trione
    34629
    RDE
    DB08465
    ZINC000036470929    		 3 C18 H20 Cl N O7 InChI=1S/C18H20ClNO7/c1-2
    4-15-7-12(20)16(25-2)9(17
    (15)26-3)4-5-27-18(23)10-
    6-11(19)14(22)8-13(10)21/
    h6-8,21-22H,4-5,20H2,1-3H
    3;
    DFYGLJKFZQGYPA-UHFFFAOYSA-N    		 COc1cc(N)c(OC)c(CCOC(=O)c2cc(Cl)c(O)cc2O
    )c1OC; Clc1cc(c(O)cc1O)C(=O)OCCc2c(OC)c(
    N)cc(OC)c2OC; COc1cc(c(c(c1OC)CCOC(=O)c2
    cc(c(cc2O)O)Cl)OC)N    		 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE
    34630
    RDF
    CHEMBL479579
    DB02557
    ZINC000004475339    		 14 C23 H34 N3 O10 P InChI=1S/C23H34N3O10P/c1-
    11(2)8-16(26-37(33,34)36-
    23-20(29)19(28)18(27)12(3
    )35-23)21(30)25-17(22(31)
    32)9-13-10-24-15-7-5-4-6-
    14(13)15/h4-7,10-12,16-20
    ,23-24,27-29H,8-9H2,1-3H3
    ,(H,25,30)(H,31,32)(H2,26
    ,33,34)/t12-,16-,17-,18-,
    19+,20+,23-/m0/s1;
    ZPHBZEQOLSRPAK-XLCYBJAPSA-N    		 CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(C
    c2c[nH]c3c2cccc3)C(=O)O)O)O)O)O; O=P(OC1
    OC(C(O)C(O)C1O)C)(O)NC(C(=O)NC(C(=O)O)Cc
    3c2ccccc2nc3)CC(C)C; C[C@H]1[C@@H]([C@H]
    ([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)
    C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)
    O)O)O)O; CC(C)C[C@H](N[P@@](O)(=O)O[C@@H
    ]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=
    O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O; CC(C
    )C[CH](N[P](O)(=O)O[CH]1O[CH](C)[CH](O)[
    CH](O)[CH]1O)C(=O)N[CH](Cc2c[nH]c3ccccc2
    3)C(O)=O    		 N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN;
    PHOSPHORAMIDON
    34631
    RDG
    ZINC000263620347    		 0 C15 H18 N5 O8 P InChI=1S/C15H18N5O8P/c21-
    9-4-11(28-10(9)6-27-29(23
    ,24)25)20-7-17-12-13(20)1
    8-15(19-14(12)22)16-5-8-2
    -1-3-26-8/h1-3,7,9-11,21H
    ,4-6H2,(H2,23,24,25)(H2,1
    6,18,19,22)/t9-,10+,11+/m
    0/s1;
    DBFJIGOYTNZKTK-HBNTYKKESA-N    		 O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2c
    nc3C(=O)NC(=Nc23)NCc4occc4; c1cc(oc1)CNC
    2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O
    )(O)O)O)C(=O)N2; O[CH]1C[CH](O[CH]1CO[P]
    (O)(O)=O)n2cnc3C(=O)NC(=Nc23)NCc4occc4;
    c1cc(oc1)CNC2=Nc3c(ncn3C4CC(C(O4)COP(=O)
    (O)O)O)C(=O)N2; O=P(O)(O)OCC4OC(n3cnc2c3
    N=C(NCc1occc1)NC2=O)CC4O    		 2'-deoxy-N-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate);
    N2-furfuryl-deoxyguanosine-5'-monophosphate
    34632
    RDH
    ZINC000013435098    		 10 C10 H8 O5 InChI=1S/C10H8O5/c1-6(9(1
    1)12)15-8-4-2-3-7(5-8)10(
    13)14/h2-5H,1H2,(H,11,12)
    (H,13,14);
    HGVAHYJMDVROLE-UHFFFAOYSA-N    		 C=C(C(=O)O)Oc1cccc(c1)C(=O)O; OC(=O)C(=C
    )Oc1cccc(c1)C(O)=O    		 3-[(1-Carboxyvinyl)oxy]benzoic acid;
    3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid
    34633
    RDI    		 1 C18 H23 Cl O6 InChI=1S/C18H23ClO6/c1-9-
    6-15-14(25-15)5-3-2-4-10(
    20)7-11-16(18(23)24-9)12(
    21)8-13(22)17(11)19/h9,11
    ,14-17H,2-8H2,1H3/t9-,11-
    ,14-,15-,16?,17+/m1/s1;
    AECPBJMOGBFQDN-NIODCRKGSA-N    		 C[CH]1C[CH]2O[CH]2CCCCC(=O)C[CH]3[CH](Cl
    )C(=O)CC(=O)[CH]3C(=O)O1; O=C2CC(=O)C(Cl
    )C3CC(=O)CCCCC1OC1CC(OC(=O)C23)C; C[C@@H
    ]1C[C@@H]2[C@H](O2)CCCCC(=O)CC3C(C(=O)CC
    (=O)C3Cl)C(=O)O1; CC1CC2C(O2)CCCCC(=O)CC
    3C(C(=O)CC(=O)C3Cl)C(=O)O1; C[C@@H]1C[C@
    H]2O[C@@H]2CCCCC(=O)C[C@H]3[C@H](Cl)C(=O
    )CC(=O)[C@H]3C(=O)O1    		 RADICICOL
    34634
    RDJ
    ZINC000006843211    		 3 C9 H15 N3 O2 S InChI=1S/C9H15N3O2S/c1-4-
    10-7(13)5-15-9-12-11-8(14
    -9)6(2)3/h6H,4-5H2,1-3H3,
    (H,10,13);
    DWIDCIXKOJCTSJ-UHFFFAOYSA-N    		 c1(SCC(=O)NCC)nnc(o1)C(C)C; CCNC(=O)CSc1
    oc(nn1)C(C)C; CCNC(=O)CSc1nnc(o1)C(C)C    		 N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
    34635
    RDK    		 2 C19 H16 Cl N3 O3 S InChI=1S/C19H16ClN3O3S/c1
    -19(11-22-27(25,26)17-7-6
    -13(20)8-15(17)19)18(24)2
    3-16-10-21-9-12-4-2-3-5-1
    4(12)16/h2-10,22H,11H2,1H
    3,(H,23,24)/t19-/m1/s1;
    PHRFKYXEKRVOIU-LJQANCHMSA-N    		 C[C@]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)N
    c3cncc4ccccc34; CC1(CNS(=O)(=O)c2c1cc(cc
    2)Cl)C(=O)Nc3cncc4c3cccc4; Clc1ccc2c(c1)
    C(C)(CNS2(=O)=O)C(=O)Nc1cncc2ccccc21; C[
    C@]1(CNS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cn
    cc4c3cccc4; C[C]1(CN[S](=O)(=O)c2ccc(Cl)
    cc12)C(=O)Nc3cncc4ccccc34    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
    34636
    RDL
    DB02214
    ZINC000013543028    		 23 C11 H14 N4 O8 InChI=1S/C11H14N4O8/c16-2
    -4(18)6(19)3(17)1-15-7-5(
    12-9(21)10(15)22)8(20)14-
    11(23)13-7/h3-4,6,16-19H,
    1-2H2,(H,12,21)(H2,13,14,
    20,23)/t3-,4+,6-/m0/s1;
    MIBROOURCUHKMD-RPDRRWSUSA-N    		 OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C(=O)C(=
    O)NC2=C1NC(=O)NC2=O; OC[CH](O)[CH](O)[CH
    ](O)CN1C(=O)C(=O)NC2=C1NC(=O)NC2=O; O=C1
    NC2=C(C(=O)N1)NC(=O)C(=O)N2CC(O)C(O)C(O)
    CO; C(C(C(C(CO)O)O)O)N1C2=C(C(=O)NC(=O)N
    2)NC(=O)C1=O; C([C@@H]([C@@H]([C@@H](CO)
    O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O    		 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE
    34637
    RDM
    ZINC000000135380    		 2 C12 H15 N O3 InChI=1S/C12H15NO3/c1-9(1
    4)13-11(12(15)16)8-7-10-5
    -3-2-4-6-10/h2-6,11H,7-8H
    2,1H3,(H,13,14)(H,15,16)/
    t11-/m1/s1;
    CNQZAOFOKXXEOB-LLVKDONJSA-N    		 CC(=O)NC(CCc1ccccc1)C(=O)O; CC(=O)N[C@H]
    (CCc1ccccc1)C(O)=O; CC(=O)N[CH](CCc1cccc
    c1)C(O)=O; C(c1ccccc1)CC(C(=O)O)NC(=O)C;
    CC(=O)N[C@H](CCc1ccccc1)C(=O)O    		 (2R)-2-(acetylamino)-4-phenylbutanoic acid
    34638
    RDN    		 1 C18 H18 N4 O2 InChI=1S/C18H18N4O2/c23-1
    7(24)12-8-22(9-18(12)6-3-
    7-18)16-14-11-4-1-2-5-13(
    11)21-15(14)19-10-20-16/h
    1-2,4-5,10,12H,3,6-9H2,(H
    ,23,24)(H,19,20,21)/t12-/
    m1/s1;
    GCIZFGPLNCVZMB-GFCCVEGCSA-N    		 c1ccc2c(c1)c3c([nH]2)ncnc3N4C[C@@H](C5(C
    4)CCC5)C(=O)O; OC(=O)[CH]1CN(CC12CCC2)c3
    ncnc4[nH]c5ccccc5c34; c1ccc2c(c1)c3c([nH
    ]2)ncnc3N4CC(C5(C4)CCC5)C(=O)O; O=C(O)C1
    CN(CC21CCC2)c1ncnc2[NH]c3ccccc3c12; OC(=
    O)[C@H]1CN(CC12CCC2)c3ncnc4[nH]c5ccccc5c
    34    		 (8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
    34639
    RDO    		 1 C15 H16 F3 N O3 InChI=1S/C15H16F3NO3/c1-2
    -22-14(21)7-6-13(20)19-9-
    8-10-11(15(16,17)18)4-3-5
    -12(10)19/h3-5H,2,6-9H2,1
    H3;
    ZUBJCDWADSBMLA-UHFFFAOYSA-N    		 CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate;
    (2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA N-3,4-DIOL;
    NEOMYCIN A;
    NEAMINE;
    (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucoside;
    (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-D-glucoside;
    (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-glucoside
    34640
    RDP    		 0 C5 H11 O8 P InChI=1/C5H11O8P/c6-1-2-3
    (7)4(8)5(12-2)13-14(9,10)
    11/h2-8H,1H2,(H2,9,10,11)
    /t2-,3-,4-,5-/m1/s1/f/h9-
    10H;
    YXJDFQJKERBOBM-MGGMCEATDD    		 C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O
    )O)O)O; C(C1C(C(C(O1)OP(=O)(O)O)O)O)O; O
    C[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H
    ]1O; OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[C
    H]1O; O=P(OC1OC(C(O)C1O)CO)(O)O    		 ALPHA-D-RIBOSE-1-PHOSPHATE
    34641
    RDQ    		 2 C23 H22 Cl N5 O5 S InChI=1S/C23H22ClN5O5S/c1
    -25-21(30)12-29-11-19(18-
    7-14(24)4-6-16(18)23(29)3
    2)22(31)27-20-10-26-9-13-
    3-5-15(8-17(13)20)28-35(2
    ,33)34/h3-10,19,28H,11-12
    H2,1-2H3,(H,25,30)(H,27,3
    1)/t19-/m1/s1;
    KEXXOTYEALJBRL-LJQANCHMSA-N    		 CNC(=O)CN1C[CH](C(=O)Nc2cncc3ccc(N[S](C)
    (=O)=O)cc23)c4cc(Cl)ccc4C1=O; CNC(=O)CN1
    CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cc(cc
    4)NS(=O)(=O)C; CNC(=O)CN1C[C@@H](C(=O)Nc
    2cncc3ccc(N[S](C)(=O)=O)cc23)c4cc(Cl)ccc
    4C1=O; CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)
    C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21; CNC(=O
    )CN1C[C@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc
    4c3cc(cc4)NS(=O)(=O)C    		 (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    34642
    RDR
    CHEMBL157813
    ZINC000002047638    		 1 C22 H21 Cl N4 O4 S2 InChI=1S/C22H21ClN4O4S2/c
    23-17-2-1-15-10-22(32-20(
    15)11-17)33(30,31)26-6-5-
    25(21(29)14-26)13-18-9-16
    -12-24-4-3-19(16)27(18)7-
    8-28/h1-4,9-12,28H,5-8,13
    -14H2;
    NZNFLUOJACWZKX-UHFFFAOYSA-N    		 OCCn1c(CN2CCN(CC2=O)[S](=O)(=O)c3sc4cc(C
    l)ccc4c3)cc5cnccc15; c1cc(cc2c1cc(s2)S(=
    O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO
    )Cl; O=C3N(Cc2cc1cnccc1n2CCO)CCN(C3)S(=O
    )(=O)c5sc4cc(Cl)ccc4c5; c1cc(cc2c1cc(s2)
    S(=O)(=O)N3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO
    )Cl    		 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE
    34643
    RDS    		 9 C14 H16 Cl N3 O S InChI=1S/C14H16ClN3OS/c1-
    3-9(2)19-13-8-12(16)17-14
    (18-13)20-11-6-4-5-10(15)
    7-11/h4-9H,3H2,1-2H3,(H2,
    16,17,18)/t9-/m1/s1;
    YBCXWCRIGXVZRG-SECBINFHSA-N    		 CCC(C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N; CC[C@
    @H](C)Oc1cc(N)nc(Sc2cccc(Cl)c2)n1; CC[C@
    @H](C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N; CC[CH
    ](C)Oc1cc(N)nc(Sc2cccc(Cl)c2)n1    		 6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine
    34644
    RDT
    ZINC000049110143    		 1 C12 H18 N2 O4 S InChI=1S/C12H18N2O4S/c1-8
    -10-7-12(18-3)11(17-2)6-9
    (10)4-5-14(8)19(13,15)16/
    h6-8H,4-5H2,1-3H3,(H2,13,
    15,16)/t8-/m1/s1;
    GUJQIHRSATWPQA-MRVPVSSYSA-N    		 COc1cc2CCN([CH](C)c2cc1OC)[S](N)(=O)=O;
    COc1cc2CCN([C@H](C)c2cc1OC)[S](N)(=O)=O;
    C[C@@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)
    OC; O=S(=O)(N)N2C(c1c(cc(OC)c(OC)c1)CC2)
    C; CC1c2cc(c(cc2CCN1S(=O)(=O)N)OC)OC    		 (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide
    34645
    RDU    		 1 C18 H19 F N4 O2 InChI=1S/C18H19FN4O2/c19-
    11-2-3-13-14(6-11)22-16-1
    5(13)17(21-10-20-16)23-7-
    12(8-24)25-18(9-23)4-1-5-
    18/h2-3,6,10,12,24H,1,4-5
    ,7-9H2,(H,20,21,22)/t12-/
    m1/s1;
    LYLUBGOVYDDPIC-GFCCVEGCSA-N    		 OC[CH]1CN(CC2(CCC2)O1)c3ncnc4[nH]c5cc(F)
    ccc5c34; Fc1ccc2c3c([NH]c2c1)ncnc3N1CC2(
    CCC2)OC(C1)CO; c1cc2c(cc1F)[nH]c3c2c(ncn
    3)N4C[C@@H](OC5(C4)CCC5)CO; c1cc2c(cc1F)
    [nH]c3c2c(ncn3)N4CC(OC5(C4)CCC5)CO; OC[C
    @H]1CN(CC2(CCC2)O1)c3ncnc4[nH]c5cc(F)ccc
    5c34    		 [(6R)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]methanol
    34646
    RDV
    CHEMBL4578549
    ZINC000000245523    		 6 C12 H22 N2 O InChI=1S/C12H22N2O/c15-12
    (14-9-7-13-8-10-14)6-5-11
    -3-1-2-4-11/h11,13H,1-10H
    2;
    PUCYMVZANVWWKV-UHFFFAOYSA-N    		 C2C(CCC(=O)N1CCNCC1)CCC2; C1CCC(C1)CCC(=
    O)N2CCNCC2; O=C(CCC1CCCC1)N2CCNCC2    		 3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
    34647
    RDX    		 2 C22 H23 Cl N4 O4 S InChI=1S/C22H23ClN4O4S/c1
    -26(8-9-28)32(30,31)27-13
    -16-6-7-17(23)10-19(16)20
    (14-27)22(29)25-21-12-24-
    11-15-4-2-3-5-18(15)21/h2
    -7,10-12,20,28H,8-9,13-14
    H2,1H3,(H,25,29)/t20-/m1/
    s1;
    RGTAJMPNICITLK-HXUWFJFHSA-N    		 CN(CCO)[S](=O)(=O)N1C[CH](C(=O)Nc2cncc3c
    cccc23)c4cc(Cl)ccc4C1; OCCN(C)S(=O)(=O)N
    1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;
    CN(CCO)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)N
    c3cncc4c3cccc4)Cl; CN(CCO)S(=O)(=O)N1Cc2
    ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl
    ; CN(CCO)[S](=O)(=O)N1C[C@@H](C(=O)Nc2cn
    cc3ccccc23)c4cc(Cl)ccc4C1    		 (4S)-6-chloro-2-[(2-hydroxyethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    34648
    RDY
    ZINC000002526285    		 1 C12 H15 N O4 InChI=1S/C12H15NO4/c1-9(1
    1(14)15)13(2)12(16)17-8-1
    0-6-4-3-5-7-10/h3-7,9H,8H
    2,1-2H3,(H,14,15)/t9-/m0/
    s1;
    QGEQKVZQPWSOTI-VIFPVBQESA-N    		 CC(C(=O)O)N(C)C(=O)OCc1ccccc1; O(Cc1cccc
    c1)C(=O)N(C(C(O)=O)C)C; C[C@H](N(C)C(=O)
    OCc1ccccc1)C(O)=O; C[C@@H](C(=O)O)N(C)C(
    =O)OCc1ccccc1; C[CH](N(C)C(=O)OCc1ccccc1
    )C(O)=O    		 N-[(benzyloxy)carbonyl]-N-methyl-L-alanine
    34649
    RDZ
    ZINC000001532829    		 2 C10 H19 O4 P InChI=1S/C10H19O4P/c1-9(2
    )5-4-6-10(3)7-8-14-15(11,
    12)13/h5,7H,4,6,8H2,1-3H3
    ,(H2,11,12,13)/b10-7+;
    FFOWJDCTFSWUMJ-JXMROGBWSA-N    		 CC(=CCC/C(=C/COP(=O)(O)O)/C)C; CC(C)=CCC
    C(C)=CCO[P](O)(O)=O; CC(=CCCC(=CCOP(=O)(
    O)O)C)C; CC(C)=CCC\C(C)=C\CO[P](O)(O)=O    		 Geranyl phosphate;
    [(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;
    [(2~{E})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate
    34650
    RE    		 10 Re InChI=1S/Re;
    WUAPFZMCVAUBPE-UHFFFAOYSA-N    		 [Re] RHENIUM
    34651
    RE0    		 0 C11 H12 N2 O4 InChI=1S/C11H12N2O4/c12-7
    (9(14)15)5-11(17)6-3-1-2-
    4-8(6)13-10(11)16/h1-4,7,
    17H,5,12H2,(H,13,16)(H,14
    ,15)/t7-,11+/m0/s1;
    BZRCOYDQHJWPQZ-WRWORJQWSA-N    		 N[CH](C[C]1(O)C(=O)Nc2ccccc12)C(O)=O; c1
    ccc2c(c1)[C@@](C(=O)N2)(C[C@@H](C(=O)O)N
    )O; c1ccc2c(c1)C(C(=O)N2)(CC(C(=O)O)N)O;
    N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(O)=O
    ; O=C(O)C(N)CC2(O)c1ccccc1NC2=O    		 3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
    34652
    RE1
    DB01868    		 1 C11 H21 N3 O7 P InChI=1S/C11H22N3O7P/c1-7
    (22(19,20)21)13-9(15)5-3-
    2-4-8(11(17)18)14-10(16)6
    -12/h7-8H,2-6,12H2,1H3,(H
    ,13,15)(H,14,16)(H,17,18)
    (H2,19,20,21)/p-1/t7-,8-/
    m0/s1;
    DREJXTKPUGMERN-YUMQZZPRSA-M    		 CC(NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+])P
    (=O)(O)[O-]; C[CH](NC(=O)CCCC[CH](NC(=O)
    C[NH3+])C([O-])=O)[P](O)([O-])=O; [O-]P(
    =O)(O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH
    3+])C; C[C@@H](NC(=O)CCCC[C@@H](C(=O)[O-
    ])NC(=O)C[NH3+])[P@](=O)(O)[O-]; C[C@@H]
    (NC(=O)CCCC[C@H](NC(=O)C[NH3+])C([O-])=O
    )[P](O)([O-])=O    		 GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE
    34653
    RE2
    CHEMBL111234
    DB08466
    ZINC000000899123    		 2 C14 H14 O3 InChI=1S/C14H14O3/c15-12-
    5-3-10(4-6-12)1-2-11-7-13
    (16)9-14(17)8-11/h3-9,15-
    17H,1-2H2;
    HITJFUSPLYBJPE-UHFFFAOYSA-N    		 c1cc(ccc1CCc2cc(cc(c2)O)O)O; Oc1cc(cc(O)
    c1)CCc2ccc(O)cc2; Oc1ccc(CCc2cc(O)cc(O)c
    2)cc1    		 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol;
    Dihydroresveratrol
    34654
    RE3    		 0 C11 H12 N2 O4 InChI=1S/C11H12N2O4/c12-7
    (9(14)15)5-11(17)6-3-1-2-
    4-8(6)13-10(11)16/h1-4,7,
    17H,5,12H2,(H,13,16)(H,14
    ,15)/t7-,11-/m0/s1;
    BZRCOYDQHJWPQZ-CPCISQLKSA-N    		 N[CH](C[C]1(O)C(=O)Nc2ccccc12)C(O)=O; c1
    ccc2c(c1)C(C(=O)N2)(CC(C(=O)O)N)O; c1ccc
    2c(c1)[C@](C(=O)N2)(C[C@@H](C(=O)O)N)O;
    N[C@@H](C[C@@]1(O)C(=O)Nc2ccccc12)C(O)=O
    ; O=C(O)C(N)CC2(O)c1ccccc1NC2=O    		 3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
    34655
    RE4
    CHEMBL1460702
    ZINC000000073355    		 11 C11 H13 N5 InChI=1S/C11H13N5/c1-8-5-
    10(16-11(12)15-8)14-7-9-3
    -2-4-13-6-9/h2-6H,7H2,1H3
    ,(H3,12,14,15,16);
    DSSCXCDTPABWJX-UHFFFAOYSA-N    		 Cc1cc(NCc2cccnc2)nc(N)n1; c2(nc(NCc1cccn
    c1)cc(n2)C)N; Cc1cc(nc(n1)N)NCc2cccnc2    		 6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
    34656
    RE5
    CHEMBL4797204    		 3 C14 H21 N6 O7 P InChI=1S/C14H21N6O7P/c1-8
    (4-20-6-18-11-12(15)16-5-
    17-13(11)20)27-7-28(25,26
    )19-9(14(23)24)2-3-10(21)
    22/h5-6,8-9H,2-4,7H2,1H3,
    (H,21,22)(H,23,24)(H2,15,
    16,17)(H2,19,25,26)/t8-,9
    +/m1/s1;
    CIXAAKVRZFPIJB-BDAKNGLRSA-N    		 C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH
    ](CCC(O)=O)C(O)=O; CC(Cn1cnc2c1ncnc2N)OC
    P(=O)(NC(CCC(=O)O)C(=O)O)O; C[C@H](Cn1cn
    c2c1ncnc2N)OCP(=O)(N[C@@H](CCC(=O)O)C(=O
    )O)O; C[C@H](Cn1cnc2c(N)ncnc12)OC[P](O)(
    =O)N[C@@H](CCC(O)=O)C(O)=O    		 L-Glutamate Tenofovir;
    (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]pentanedioic acid
    34657
    RE6    		 0 C8 H16 O2 InChI=1S/C8H16O2/c1-3-7(2
    )5-4-6-8(9)10/h7H,3-6H2,1
    -2H3,(H,9,10)/t7-/m1/s1;
    OJTHHBCWUMTZEY-SSDOTTSWSA-N    		 CC[C@@H](C)CCCC(=O)O; CCC(C)CCCC(=O)O; C
    C[CH](C)CCCC(O)=O; CC[C@@H](C)CCCC(O)=O    		 (5R)-5-methylheptanoic acid
    34658
    RE7
    ZINC000042538761    		 2 C13 H16 F N3 InChI=1S/C13H16FN3/c1-11(
    12-3-5-13(14)6-4-12)15-8-
    10-17-9-2-7-16-17/h2-7,9,
    11,15H,8,10H2,1H3/t11-/m1
    /s1;
    GDFKNYCJQSHPRK-LLVKDONJSA-N    		 CC(c1ccc(cc1)F)NCCn2cccn2; C[C@@H](NCCn1
    cccn1)c2ccc(F)cc2; C[C@H](c1ccc(cc1)F)NC
    Cn2cccn2; C[CH](NCCn1cccn1)c2ccc(F)cc2;
    c1cc(ccc1F)C(NCCn2cccn2)C    		 (1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine
    34659
    RE8
    CHEMBL122275
    ZINC000003846900    		 5 C20 H14 N2 O4 S InChI=1S/C20H14N2O4S/c23-
    18-11-9-13-5-1-2-6-14(13)
    20(18)22-21-17-10-12-19(2
    7(24,25)26)16-8-4-3-7-15(
    16)17/h1-12,23H,(H,24,25,
    26)/b22-21+;
    JSAKRLDIZOGQTN-QURGRASLSA-N    		 Oc1ccc2ccccc2c1N=Nc3ccc(c4ccccc34)[S](O)
    (=O)=O; c1ccc2c(c1)ccc(c2/N=N/c3ccc(c4c3
    cccc4)S(=O)(=O)O)O; O=S(=O)(O)c4ccc(/N=N
    /c2c1ccccc1ccc2O)c3ccccc34; c1ccc2c(c1)c
    cc(c2N=Nc3ccc(c4c3cccc4)S(=O)(=O)O)O    		 4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;
    Acid red 88
    34660
    RE9
    DB08467
    ZINC000015475858    		 1 C20 H28 O2 InChI=1S/C20H28O2/c1-14(1
    2-18(21)22)8-6-11-20(5)13
    -17-16(15(20)2)9-7-10-19(
    17,3)4/h6,8,12H,2,7,9-11,
    13H2,1,3-5H3,(H,21,22)/b8
    -6+,14-12+/t20-/m1/s1;
    HEVXQLBAMFMFKU-IAZPEVBMSA-N    		 CC(=CC(=O)O)C=CCC1(CC2=C(C1=C)CCCC2(C)C)
    C; C\C(=C/C(=O)O)\C=C\C[C@@]1(CC2=C(C1=C
    )CCCC2(C)C)C; CC(/C=C/C[C@]1(C)CC2=C(CCC
    C2(C)C)C1=C)=C\C(O)=O; CC(C=CC[C]1(C)CC2
    =C(CCCC2(C)C)C1=C)=CC(O)=O; O=C(O)\C=C(\
    C=C\CC1(C(/C2=C(C1)C(CCC2)(C)C)=C)C)C    		 6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIMETHYL-1-METYLENEINDEN-2-YL)-3-METHYLHEXA-2,4-DIENOIC ACID
    34661
    REA
    CHEMBL38
    DB00755
    ZINC000012358651    		 38 C20 H28 O2 InChI=1S/C20H28O2/c1-15(8
    -6-9-16(2)14-19(21)22)11-
    12-18-17(3)10-7-13-20(18,
    4)5/h6,8-9,11-12,14H,7,10
    ,13H2,1-5H3,(H,21,22)/b9-
    6+,12-11+,15-8+,16-14+;
    SHGAZHPCJJPHSC-YCNIQYBTSA-N    		 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C
    )C; CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)
    C(C)(C)CCC1; CC1=C(C=CC(C)=CC=CC(C)=CC(O
    )=O)C(C)(C)CCC1; CC1=C(C(CCC1)(C)C)/C=C/
    C(=C/C=C/C(=C/C(=O)O)/C)/C; C1(CCCC(=C1\
    C=C\C(=C\C=C\C(=C\C(=O)O)C)C)C)(C)C    		 RETINOIC ACID
    34662
    REB
    CHEMBL1235645
    ZINC000058651050    		 5 C18 H17 N7 InChI=1S/C18H17N7/c19-9-7
    -12-1-5-14(6-2-12)21-18-2
    0-10-8-16(23-18)22-17-11-
    15(24-25-17)13-3-4-13/h1-
    2,5-6,8,10-11,13H,3-4,7H2
    ,(H3,20,21,22,23,24,25);
    YRRRHSNOXWKVDL-UHFFFAOYSA-N    		 N#CCc1ccc(cc1)Nc4nc(Nc2nnc(c2)C3CC3)ccn4
    ; c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc([nH]n3)
    C4CC4; N#CCc1ccc(Nc2nccc(Nc3cc([nH]n3)C4
    CC4)n2)cc1    		 [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
    34663
    REC
    CHEMBL1235646
    ZINC000058651052    		 4 C15 H21 N3 O7 S InChI=1S/C15H21N3O7S/c1-7
    -6-26-12(18-10(7)14(22)23
    )11(15(24)25)17-9(19)5-3-
    2-4-8(16)13(20)21/h8,11-1
    2H,1-6,16H2,(H,17,19)(H,2
    0,21)(H,22,23)(H,24,25)/t
    8-,11+,12-/m1/s1;
    JGKXEMYIHDYWCZ-JFUSQASVSA-N    		 O=C(O)C(N)CCCCC(=O)NC(C(=O)O)C1N=C(\C(=C
    )CS1)C(=O)O; C=C1CS[C@@H](N=C1C(=O)O)[C@
    @H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N; C=C
    1CSC(N=C1C(=O)O)C(C(=O)O)NC(=O)CCCCC(C(=
    O)O)N; N[CH](CCCCC(=O)N[CH]([CH]1SCC(=C)
    C(=N1)C(O)=O)C(O)=O)C(O)=O; N[C@H](CCCCC
    (=O)N[C@@H]([C@H]1SCC(=C)C(=N1)C(O)=O)C(
    O)=O)C(O)=O    		 CEPHALOSPORIN;
    (2R)-2-[(R)-{[(6R)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxy lic acid
    34664
    RED
    CHEMBL1235647
    DB03760
    ZINC000003869601    		 10 C8 H16 O2 S2 InChI=1S/C8H16O2S2/c9-8(1
    0)4-2-1-3-7(12)5-6-11/h7,
    11-12H,1-6H2,(H,9,10)/t7-
    /m1/s1;
    IZFHEQBZOYJLPK-SSDOTTSWSA-N    		 C(CCC(=O)O)CC(CCS)S; C(CCC(=O)O)C[C@H](C
    CS)S; O=C(O)CCCCC(S)CCS; OC(=O)CCCC[C@@H
    ](S)CCS; OC(=O)CCCC[CH](S)CCS    		 DIHYDROLIPOIC ACID
    34665
    REE
    CHEMBL1235648
    ZINC000000003864    		 1 C6 H15 N2 O2 InChI=1S/C6H14N2O2/c1-8(2
    ,3)7-5-4-6(9)10/h7H,4-5H2
    ,1-3H3/p+1;
    PVBQYTCFVWZSJK-UHFFFAOYSA-O    		 C[N+](C)(C)NCCC(=O)O; C[N+](C)(C)NCCC(O)
    =O; O=C(O)CCN[N+](C)(C)C    		 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium
    34666
    REF
    CHEMBL6246
    DB08846
    ZINC000003872446    		 4 C14 H6 O8 InChI=1S/C14H6O8/c15-5-1-
    3-7-8-4(14(20)22-11(7)9(5
    )17)2-6(16)10(18)12(8)21-
    13(3)19/h1-2,15-18H;
    AFSDNFLWKVMVRB-UHFFFAOYSA-N    		 Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c
    34; c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)
    O)O)OC2=O; O=C1Oc3c2c4c1cc(O)c(O)c4OC(=O
    )c2cc(O)c3O    		 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione;
    Ellagic acid, 4,4',5,5',6,6'-Hexahydroxydiphenic acid 2,6,2',6'-dilactone
    34667
    REG
    ZINC000030984714    		 7 C11 H20 N2 O2 InChI=1S/C11H20N2O2/c14-1
    1(13-9-4-1-2-5-9)12-8-10-
    6-3-7-15-10/h9-10H,1-8H2,
    (H2,12,13,14)/t10-/m0/s1;
    GZCFMEFTVSKHDE-JTQLQIEISA-N    		 O=C(NC[C@@H]1CCCO1)NC2CCCC2; C1CCC(C1)NC
    (=O)NCC2CCCO2; C1CCC(C1)NC(=O)NC[C@@H]2C
    CCO2; O=C(NC[CH]1CCCO1)NC2CCCC2    		 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
    34668
    REH    		 1 C13 H14 F N O InChI=1S/C13H14FNO/c1-9(1
    6)15-8-13(6-3-7-13)12-10(
    14)4-2-5-11(12)15/h2,4-5H
    ,3,6-8H2,1H3;
    WXJBYBVEXXHQQN-UHFFFAOYSA-N    		 CC(=O)N1CC2(CCC2)c3c1cccc3F; CC(=O)N1CC2
    (CCC2)c3c(F)cccc13    		 1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone
    34669
    REI    		 3 C6 H6 N2 O4 Re InChI=1S/C3H4N2.3CO.H2O.R
    e/c1-2-5-3-4-1;3*1-2;;/h1
    -3H,(H,4,5);;;;1H2;/q;;;;
    ;+1;
    KPOHHEXTCRHHSE-UHFFFAOYSA-N    		 O|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O
    +])|n1c[nH]cc1; C1=C[N](=CN1)[Re+](C#O)(
    C#O)(C#O)[OH2]    		 Tricarbonyl (aqua) (imidazole) rhenium(I)
    34670
    REJ    		 1 C6 H6 N O6 Re InChI=1S/C3H7NO3.3CO.Re/c
    4-2(1-5)3(6)7;3*1-2;/h2,5
    H,1,4H2,(H,6,7);;;;/q;;;;
    +2/p-1/t2-;;;;/m0..../s1;
    QKENEJKDFPJRFD-AIDJSRAFSA-M    		 C(C1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O;
    C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O
    )O; N1|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C
    -]#[O+])OC(=O)[CH]1CO; N1|[Re+](|[C-]#[O
    +])(|[C-]#[O+])(|[C-]#[O+])OC(=O)[C@@H]1
    CO    		 Tricarbonyl (L-serine) rhenium(I)
    34671
    REK
    CHEMBL4782555    		 3 C13 H19 N6 O7 P InChI=1S/C13H19N6O7P/c1-7
    (3-19-5-17-10-11(14)15-4-
    16-12(10)19)26-6-27(24,25
    )18-8(13(22)23)2-9(20)21/
    h4-5,7-8H,2-3,6H2,1H3,(H,
    20,21)(H,22,23)(H2,14,15,
    16)(H2,18,24,25)/t7-,8-/m
    1/s1;
    YBOHKRVDTZQCCV-HTQZYQBOSA-N    		 C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH
    ](CC(O)=O)C(O)=O; C[C@H](Cn1cnc2c1ncnc2N
    )OCP(=O)(N[C@H](CC(=O)O)C(=O)O)O; C[C@H]
    (Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[C@H](CC
    (O)=O)C(O)=O; CC(Cn1cnc2c1ncnc2N)OCP(=O)
    (NC(CC(=O)O)C(=O)O)O    		 D-Aspartate Tenofovir;
    (2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid
    34672
    REL
    CHEMBL1235649
    ZINC000100004705    		 13 C6 H10 O7 InChI=1S/C6H10O7/c7-1-2(8
    )3(9)4(10)5(11)6(12)13/h1
    -5,8-11H,(H,12,13)/t2-,3+
    ,4-,5-/m0/s1;
    IAJILQKETJEXLJ-QTBDOELSSA-N    		 C(=O)C(C(C(C(C(=O)O)O)O)O)O; O[CH](C=O)[
    CH](O)[CH](O)[CH](O)C(O)=O; C(=O)[C@@H](
    [C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O; O[C@
    @H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O;
    O=C(O)C(O)C(O)C(O)C(O)C=O    		 D-glucuronic acid;
    D-Glucuronate;
    alpha-D-glucofuranuronic acid
    34673
    REM
    CHEMBL31601
    DB00212
    ZINC000004217406    		 2 C33 H50 N4 O6 S InChI=1S/C33H50N4O6S/c1-3
    3(2,3)44(42,43)20-25(16-2
    2-10-6-4-7-11-22)31(40)37
    -28(18-26-19-34-21-35-26)
    32(41)36-27(17-23-12-8-5-
    9-13-23)30(39)29(38)24-14
    -15-24/h4,6-7,10-11,19,21
    ,23-25,27-30,38-39H,5,8-9
    ,12-18,20H2,1-3H3,(H,34,3
    5)(H,36,41)(H,37,40)/t25-
    ,27+,28+,29+,30-/m1/s1;
    UXIGZRQVLGFTOU-VQXQMPIVSA-N    		 CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc
    2cnc[nH]2)C(=O)NC(CC3CCCCC3)C(C(C4CC4)O)
    O; CC(C)(C)[S](=O)(=O)C[C@@H](Cc1ccccc1)
    C(=O)N[C@@H](Cc2[nH]cnc2)C(=O)N[C@@H](CC
    3CCCCC3)[C@@H](O)[C@@H](O)C4CC4; CC(C)(C
    )S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]
    (Cc2cnc[nH]2)C(=O)N[C@@H](CC3CCCCC3)[C@H
    ]([C@H](C4CC4)O)O; CC(C)(C)[S](=O)(=O)C[
    CH](Cc1ccccc1)C(=O)N[CH](Cc2[nH]cnc2)C(=
    O)N[CH](CC3CCCCC3)[CH](O)[CH](O)C4CC4; O
    =S(=O)(C(C)(C)C)CC(C(=O)NC(C(=O)NC(CC1CC
    CCC1)C(O)C(O)C2CC2)Cc3cncn3)Cc4ccccc4    		 Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide;
    remikiren
    34674
    REN
    CHEMBL235212
    ZINC000000895630    		 3 C19 H23 N O4 InChI=1S/C19H23NO4/c1-20-
    7-6-13-10-19(24-3)17(22)1
    1-14(13)15(20)8-12-4-5-18
    (23-2)16(21)9-12/h4-5,9-1
    1,15,21-22H,6-8H2,1-3H3/t
    15-/m0/s1;
    BHLYRWXGMIUIHG-HNNXBMFYSA-N    		 C[N@@]1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)
    OC)O)OC; O(c1ccc(cc1O)CC3c2c(cc(OC)c(O)c
    2)CCN3C)C; CN1CCc2cc(c(cc2C1Cc3ccc(c(c3)
    O)OC)O)OC; COc1ccc(C[C@@H]2N(C)CCc3cc(OC
    )c(O)cc23)cc1O; COc1ccc(C[CH]2N(C)CCc3cc
    (OC)c(O)cc23)cc1O    		 (S)-reticuline;
    (1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
    34675
    REO    		 14 O4 Re InChI=1S/4O.Re/q;;;-1;;
    WPWXHJFQOFOBAC-UHFFFAOYSA-N    		 [O-][Re](=O)(=O)=O PERRHENATE
    34676
    REP    		 15 C15 H8 N2 O3 Re InChI=1S/C12H8N2.3CO.Re/c
    1-3-9-5-6-10-4-2-8-14-12(
    10)11(9)13-7-1;3*1-2;/h1-
    8H;;;;;
    HRZLGVADJDWBIJ-UHFFFAOYSA-N    		 C1=C[N]2=C3C(=C1)C=CC4=CC=C[N](=C43)[Re]
    2(C#O)(C#O)C#O; [Re].[C-]#[O+].[C-]#[O+]
    .[C-]#[O+].c1cnc2c(c1)ccc3cccnc23    		 (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)
    34677
    REQ    		 20 C17 H12 N2 O3 Re InChI=1S/C14H12N2.3CO.Re/
    c1-9-5-7-15-13-11(9)3-4-1
    2-10(2)6-8-16-14(12)13;3*
    1-2;/h3-8H,1-2H3;;;;;
    SINYNGNXCUIFTB-UHFFFAOYSA-N    		 CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C
    3C)(C#O)(C#O)C#O; [Re]|1(|[C-]#[O+])(|[C
    -]#[O+])(|[C-]#[O+])|n2ccc(C)c3ccc4c(C)c
    cn|1c4c23    		 (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)
    34678
    RER    		 0 C7 H15 N O3 InChI=1S/C7H15NO3/c1-4-6(
    10)7(2,8)3-5(9)11-4/h4-6,
    9-10H,3,8H2,1-2H3/t4-,5+,
    6+,7-/m0/s1;
    OIJZDPGKNVKVBL-WNJXEPBRSA-N    		 CC1C(C(CC(O1)O)(C)N)O; C[C@H]1[C@H]([C@@
    ](C[C@@H](O1)O)(C)N)O; C[C@@H]1O[C@@H](O
    )C[C@](C)(N)[C@@H]1O; OC1OC(C(O)C(N)(C)C
    1)C; C[CH]1O[CH](O)C[C](C)(N)[CH]1O    		 vancosamine;
    (1R,3S,4S,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose
    34679
    RES
    CHEMBL116018
    DB04496    		 22 C4 H10 N O8 P InChI=1S/C4H10NO8P/c6-2(1
    -13-14(10,11)12)3(7)4(8)5
    -9/h2-3,6-7,9H,1H2,(H,5,8
    )(H2,10,11,12)/t2-,3-/m1/
    s1;
    JJQQOJRGUHNREK-PWNYCUMCSA-N    		 ONC(=O)[CH](O)[CH](O)CO[P](O)(O)=O; ONC(
    =O)[C@H](O)[C@H](O)CO[P](O)(O)=O; C(C(C(
    C(=O)NO)O)O)OP(=O)(O)O; O=P(O)(O)OCC(O)C
    (O)C(=O)NO; C([C@H]([C@H](C(=O)NO)O)O)OP
    (=O)(O)O    		 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID
    34680
    RET
    CHEMBL81379
    ZINC000004228262    		 782 C20 H28 O InChI=1S/C20H28O/c1-16(8-
    6-9-17(2)13-15-21)11-12-1
    9-18(3)10-7-14-20(19,4)5/
    h6,8-9,11-13,15H,7,10,14H
    2,1-5H3/b9-6+,12-11+,16-8
    +,17-13+;
    NCYCYZXNIZJOKI-OVSJKPMPSA-N    		 CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C
    )C; O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C
    )C)C)C; CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/
    C(=C/C=O)/C)/C; CC1=C(C(CCC1)(C)C)C=CC(=
    CC=CC(=CC=O)C)C; CC(=CC=O)C=CC=C(C)C=CC1
    =C(C)CCCC1(C)C    		 RETINAL
    34681
    REU    		 2 C23 H23 Cl N4 O2 InChI=1S/C23H23ClN4O2/c1-
    14(22(29)25-2)28-12-16-7-
    8-17(24)9-19(16)20(13-28)
    23(30)27-21-11-26-10-15-5
    -3-4-6-18(15)21/h3-11,14,
    20H,12-13H2,1-2H3,(H,25,2
    9)(H,27,30)/t14-,20+/m0/s
    1;
    JYNPSSIRIGNSBA-VBKZILBWSA-N    		 CNC(=O)[CH](C)N1C[CH](C(=O)Nc2cncc3ccccc
    23)c4cc(Cl)ccc4C1; CC(C(=O)NC)N1Cc2ccc(c
    c2C(C1)C(=O)Nc3cncc4c3cccc4)Cl; C[C@@H](
    C(=O)NC)N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cn
    cc4c3cccc4)Cl; CNC(=O)[C@H](C)N1C[C@@H](
    C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1; CNC
    (=O)C(C)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc
    2ccccc21    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    34682
    REV
    ZINC000263620885    		 2 C17 H20 O4 InChI=1S/C17H20O4/c1-4-12
    (11-8-6-5-7-9-11)13-10-14
    (18)16(20-2)17(21-3)15(13
    )19/h5-10,12,18-19H,4H2,1
    -3H3/t12-/m0/s1;
    PIKYYJHZIWYFFE-LBPRGKRZSA-N    		 CC[C@@H](c1ccccc1)c2cc(O)c(OC)c(OC)c2O;
    O(c1c(O)c(cc(O)c1OC)C(c2ccccc2)CC)C; CC[
    C@@H](c1ccccc1)c2cc(c(c(c2O)OC)OC)O; CC[
    CH](c1ccccc1)c2cc(O)c(OC)c(OC)c2O; CCC(c
    1ccccc1)c2cc(c(c(c2O)OC)OC)O    		 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol
    34683
    REW
    CHEMBL271240
    ZINC000029126212    		 1 C30 H28 N2 O6 InChI=1S/C30H28N2O6/c1-19
    -26(31-28(38-19)21-8-4-3-
    5-9-21)15-16-37-24-10-6-7
    -20(17-24)18-25-27(30(34)
    35)32(29(25)33)22-11-13-2
    3(36-2)14-12-22/h3-14,17,
    25,27H,15-16,18H2,1-2H3,(
    H,34,35)/t25-,27-/m0/s1;
    DKIUFVFEAUCDLY-BDYUSTAISA-N    		 COc1ccc(cc1)N2[CH]([CH](Cc3cccc(OCCc4nc(
    oc4C)c5ccccc5)c3)C2=O)C(O)=O; COc1ccc(cc
    1)N2[C@@H]([C@H](Cc3cccc(OCCc4nc(oc4C)c5
    ccccc5)c3)C2=O)C(O)=O; Cc1c(nc(o1)c2cccc
    c2)CCOc3cccc(c3)CC4C(N(C4=O)c5ccc(cc5)OC
    )C(=O)O; Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c
    3)C[C@H]4[C@H](N(C4=O)c5ccc(cc5)OC)C(=O)
    O; O=C(O)C2N(c1ccc(OC)cc1)C(=O)C2Cc5cc(O
    CCc3nc(oc3C)c4ccccc4)ccc5    		 (2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-4-OXOAZETIDINE-2-CARBOXYLIC ACID;
    4-[2-(3-{[(2S,3S)-2-carboxy-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]methyl}phenoxy)ethyl]-5-methyl-2-phenyl-1,3-oxazol-3 -ium
    34684
    REX
    DB02578
    ZINC000015599994    		 1 C15 H26 N4 O7 InChI=1S/C15H26N4O7/c1-8(
    13(22)18-9(2)14(23)24)17-
    11(20)6-4-3-5-10(15(25)26
    )19-12(21)7-16/h8-10H,3-7
    ,16H2,1-2H3,(H,17,20)(H,1
    8,22)(H,19,21)(H,23,24)(H
    ,25,26)/t8-,9-,10+/m1/s1;
    RALBRZJHHGWNNU-BBBLOLIVSA-N    		 C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CCCC[C
    @@H](C(=O)[O-])NC(=O)C[NH3+]; C[CH](NC(=
    O)[CH](C)NC(=O)CCCC[CH](NC(=O)C[NH3+])C(
    [O-])=O)C(O)=O; C[C@@H](NC(=O)[C@@H](C)N
    C(=O)CCCC[C@H](NC(=O)C[NH3+])C([O-])=O)C
    (O)=O; O=C(NC(C(=O)O)C)C(NC(=O)CCCCC(C([
    O-])=O)NC(=O)C[NH3+])C; CC(C(=O)NC(C)C(=
    O)O)NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+]    		 GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANYL-D-ALANINE
    34685
    REY
    DB03927
    ZINC000003581164    		 1 C12 H21 N3 O6 InChI=1S/C12H21N3O6/c1-7(
    11(18)19)14-9(16)5-3-2-4-
    8(12(20)21)15-10(17)6-13/
    h7-8H,2-6,13H2,1H3,(H,14,
    16)(H,15,17)(H,18,19)(H,2
    0,21)/t7-,8+/m1/s1;
    ZMQJQOKNTYQVHO-SFYZADRCSA-N    		 CC(C(=O)O)NC(=O)CCCCC(C(=O)[O-])NC(=O)C[
    NH3+]; C[C@H](C(=O)O)NC(=O)CCCC[C@@H](C(
    =O)[O-])NC(=O)C[NH3+]; C[C@@H](NC(=O)CCC
    C[C@H](NC(=O)C[NH3+])C([O-])=O)C(O)=O; O
    =C(NC(C(=O)O)C)CCCCC(C([O-])=O)NC(=O)C[N
    H3+]; C[CH](NC(=O)CCCC[CH](NC(=O)C[NH3+]
    )C([O-])=O)C(O)=O    		 GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE
    34686
    REZ
    ZINC000058649965    		 5 C10 H18 N2 O5 InChI=1S/C10H18N2O5/c1-6(
    9(14)15)12-8(13)5-3-2-4-7
    (11)10(16)17/h6-7H,2-5,11
    H2,1H3,(H,12,13)(H,14,15)
    (H,16,17)/t6-,7-/m1/s1;
    GMHVWLJCMCGBKZ-RNFRBKRXSA-N    		 O=C(O)C(NC(=O)CCCCC(N)C(=O)O)C; C[CH](NC
    (=O)CCCC[CH](N)C(O)=O)C(O)=O; C[C@@H](NC
    (=O)CCCC[C@@H](N)C(O)=O)C(O)=O; C[C@H](C
    (=O)O)NC(=O)CCCC[C@H](C(=O)O)N; CC(C(=O)
    O)NC(=O)CCCCC(C(=O)O)N    		 (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID
    34687
    RF0    		 1 C16 H17 F N4 O3 InChI=1S/C16H17FN4O3/c1-2
    3-13-6-21(5-10(7-22)24-13
    )16-14-11-3-2-9(17)4-12(1
    1)20-15(14)18-8-19-16/h2-
    4,8,10,13,22H,5-7H2,1H3,(
    H,18,19,20)/t10-,13-/m0/s
    1;
    BXWPLXGLKXAQCW-GWCFXTLKSA-N    		 CO[C@@H]1CN(C[C@H](O1)CO)c2c3c4ccc(cc4[n
    H]c3ncn2)F; CO[C@@H]1CN(C[C@@H](CO)O1)c2
    ncnc3[nH]c4cc(F)ccc4c23; CO[CH]1CN(C[CH]
    (CO)O1)c2ncnc3[nH]c4cc(F)ccc4c23; COC1CN
    (CC(CO)O1)c1ncnc2[NH]c3cc(F)ccc3c12; COC
    1CN(CC(O1)CO)c2c3c4ccc(cc4[nH]c3ncn2)F    		 [(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol
    34688
    RF1
    DB08469
    ZINC000053683175    		 1 C16 H21 N3 O3 S InChI=1S/C16H21N3O3S/c1-1
    6(2,3)21-15(20)19-8-6-11(
    7-9-19)14-17-13(18-22-14)
    12-5-4-10-23-12/h4-5,10-1
    1H,6-9H2,1-3H3;
    METBQPRXNZHZMB-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)N1CCC(CC1)c2onc(n2)c3sccc3
    ; O=C(OC(C)(C)C)N3CCC(c1onc(n1)c2sccc2)C
    C3; CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3c
    ccs3    		 tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
    34689
    RF2
    DB08470    		 1 C14 H10 F N3 InChI=1S/C14H10FN3/c15-12
    -8-6-11(7-9-12)14-16-13(1
    7-18-14)10-4-2-1-3-5-10/h
    1-9H,(H,16,17,18);
    KMGPJKOKSYGMJD-UHFFFAOYSA-N    		 Fc1ccc(cc1)c2[nH]c(nn2)c3ccccc3; Fc3ccc(
    c2nnc(c1ccccc1)n2)cc3; c1ccc(cc1)c2[nH]c
    (nn2)c3ccc(cc3)F    		 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole
    34690
    RF3
    CHEMBL1235660
    DB08471    		 1 C17 H17 N3 O2 S2 InChI=1S/C17H17N3O2S2/c21
    -15(11-13-3-1-9-23-13)20-
    7-5-12(6-8-20)17-18-16(19
    -22-17)14-4-2-10-24-14/h1
    -4,9-10,12H,5-8,11H2;
    SJEVDMFUHCVNPM-UHFFFAOYSA-N    		 O=C(Cc1sccc1)N2CCC(CC2)c3onc(n3)c4sccc4;
    c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4ccc
    s4; O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4sc
    cc4    		 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
    34691
    RF4
    CHEMBL1439113
    ZINC000002051956    		 2 C19 H20 N2 O3 S InChI=1S/C19H20N2O3S/c1-1
    3-6-5-7-14(2)18(13)24-10-
    11-25-19-20-15-8-3-4-9-16
    (15)21(19)12-17(22)23/h3-
    9H,10-12H2,1-2H3,(H,22,23
    );
    ZAHFRMHMWCBLOL-UHFFFAOYSA-N    		 Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C; c1
    (c(c(ccc1)C)OCCSc2nc3c(n2CC(O)=O)cccc3)C
    ; Cc1cccc(C)c1OCCSc2nc3ccccc3n2CC(O)=O    		 (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid
    34692
    RF5
    ZINC000027766760    		 8 C5 H10 F O7 P InChI=1S/C5H10FO7P/c6-3-4
    (7)2(13-5(3)8)1-12-14(9,1
    0)11/h2-5,7-8H,1H2,(H2,9,
    10,11)/t2-,3+,4-,5+/m1/s1;
    NOTDWSJIOCLYHZ-LECHCGJUSA-N    		 FC1C(O)C(OC1O)COP(=O)(O)O; O[CH]1O[CH](C
    O[P](O)(O)=O)[CH](O)[CH]1F; C(C1C(C(C(O1
    )O)F)O)OP(=O)(O)O; C([C@@H]1[C@H]([C@@H]
    ([C@H](O1)O)F)O)OP(=O)(O)O; O[C@H]1O[C@H
    ](CO[P](O)(O)=O)[C@@H](O)[C@@H]1F    		 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose;
    Inhibitor arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form;
    2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinose;
    2-deoxy-2-fluoro-5-O-phosphono-D-arabinose;
    2-deoxy-2-fluoro-5-O-phosphono-arabinose
    34693
    RF6    		 1 C8 H13 N3 InChI=1S/C8H13N3/c1-3-6-5
    -7(4-2)11-8(9)10-6/h5H,3-
    4H2,1-2H3,(H2,9,10,11);
    WWRMBPPGHZDJNZ-UHFFFAOYSA-N    		 CCc1cc(nc(n1)N)CC; CCc1cc(CC)nc(N)n1 4,6-diethylpyrimidin-2-amine;
    4,6-bis(ethenyl)pyrimidin-2-amine (precursor);
    4,6-Divinylpyrimidin-2-amine (precursor);
    peptide staple
    34694
    RF7
    ZINC000230570933    		 2 C11 H16 N O5 P InChI=1S/C11H16NO5P/c1-12
    (14)11(13)7-10(8-18(15,16
    )17)9-5-3-2-4-6-9/h2-6,10
    ,14H,7-8H2,1H3,(H2,15,16,
    17)/t10-/m0/s1;
    RGWBBKVQKPJVGW-JTQLQIEISA-N    		 CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O; C
    N(O)C(=O)C[CH](C[P](O)(O)=O)c1ccccc1; CN
    (O)C(=O)C[C@@H](C[P](O)(O)=O)c1ccccc1; C
    N(C(=O)CC(CP(=O)(O)O)c1ccccc1)O; O=P(O)(
    O)CC(c1ccccc1)CC(=O)N(O)C    		 {(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid
    34695
    RF8
    CHEMBL4519590
    ZINC000003861298    		 1 C16 H30 O4 InChI=1S/C16H30O4/c17-15(
    18)13-11-9-7-5-3-1-2-4-6-
    8-10-12-14-16(19)20/h1-14
    H2,(H,17,18)(H,19,20);
    QQHJDPROMQRDLA-UHFFFAOYSA-N    		 C(CCCCCCCC(=O)O)CCCCCCC(=O)O; OC(=O)CCCC
    CCCCCCCCCCC(O)=O    		 hexadecanedioic acid
    34696
    RF9
    DB02370
    ZINC000012501967    		 0 C9 H18 N2 O4 InChI=1S/C9H18N2O4/c1-6(8
    (12)13)11-5-3-2-4-7(10)9(
    14)15/h6-7,11H,2-5,10H2,1
    H3,(H,12,13)(H,14,15)/t6-
    ,7+/m1/s1;
    XCYPSOHOIAZISD-RQJHMYQMSA-N    		 CC(C(=O)O)NCCCCC(C(=O)O)N; C[CH](NCCCC[C
    H](N)C(O)=O)C(O)=O; C[C@@H](NCCCC[C@H](N
    )C(O)=O)C(O)=O; C[C@H](C(=O)O)NCCCC[C@@H
    ](C(=O)O)N; NC(CCCCNC(C)C(O)=O)C(O)=O    		 N~6~-[(1R)-1-carboxyethyl]-L-lysine
    34697
    RFA    		 2 C54 H75 F8 N7 Ru InChI=1S/C34H47F8N3.C10H1
    6N2.C10H12N2.Ru/c1-14-2-4
    -43-21(6-14)22-13-15(3-5-
    44-22)12-20-25(35)27(37)2
    3(28(38)26(20)36)24-29(39
    )31(41)34(32(42)30(24)40)
    45-33-18-8-16-7-17(10-18)
    11-19(33)9-16;2*1-3-7-11-
    9(5-1)10-6-2-4-8-12-10;/h
    6,15-34,45H,2-5,7-13H2,1H
    3;1-8H2;1,4-5,8H,2-3,6-7H
    2;/q3*-2;+8/b;2*10-9-;/t1
    5-,16-,17+,18-,19+,20-,21
    ?,22-,23+,24-,25-,26+,27+
    ,28+,29-,30+,31-,32+,33-,
    34?;;;/m1.../s1;
    QXSHRHKMCRAIGC-QMGQRXOWSA-N    		 CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6
    =C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C
    (C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)C
    C1C3)F)F)F)F; FC4C(F)C(NC3C1CC2CC(C1)CC3
    C2)C(F)C(F)C4C5C(F)C(F)C(C(F)C5F)CC6CC8N
    (CC6)[Ru+2]%11%13(N7CCC(=CC78)C)(n9C=CCC
    c9c%10C=CCCn%10%11)n%14c(c%12n%13CCCC%12
    )CCCC%14; CC1=C[C@H]2[C@H]3C[C@H](CCN3[R
    u++]45(N2CC1)(N6CCCCC6=C7CCCCN47)N8CCC=C
    C8=C9CCC=CN59)C[C@H]%10[C@H](F)[C@@H](F)
    [C@H]([C@H](F)[C@@H]%10F)[C@@H]%11[C@@H]
    (F)[C@@H](F)[C@H](N[C@H]%12C%13CC%14CC(C
    %13)CC%12C%14)[C@@H](F)[C@H]%11F; CC1=C[
    CH]2[CH]3C[CH](CCN3[Ru++]45(N2CC1)(N6CCC
    CC6=C7CCCCN47)N8CCC=CC8=C9CCC=CN59)C[CH]
    %10[CH](F)[CH](F)[CH]([CH](F)[CH]%10F)[C
    H]%11[CH](F)[CH](F)[CH](N[CH]%12C%13CC%1
    4CC(C%13)CC%12C%14)[CH](F)[CH]%11F    		 DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II)
    34698
    RFB    		 2 C54 H75 F8 N7 Ru InChI=1S/C34H47F8N3.C10H1
    6N2.C10H12N2.Ru/c1-14-2-4
    -43-21(6-14)22-13-15(3-5-
    44-22)12-20-25(35)27(37)2
    3(28(38)26(20)36)24-29(39
    )31(41)34(32(42)30(24)40)
    45-33-18-8-16-7-17(10-18)
    11-19(33)9-16;2*1-3-7-11-
    9(5-1)10-6-2-4-8-12-10;/h
    6,15-34,45H,2-5,7-13H2,1H
    3;1-8H2;1,4-5,8H,2-3,6-7H
    2;/q3*-2;+8/b;2*10-9-;/t1
    5-,16-,17+,18-,19+,20-,21
    ?,22?,23?,24-,25-,26+,27-
    ,28+,29?,30-,31?,32?,33-,
    34?;;;/m1.../s1;
    QXSHRHKMCRAIGC-DMCKNCFYSA-N    		 CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6
    =C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C
    (C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)C
    C1C3)F)F)F)F; FC4C(F)C(NC3C1CC2CC(C1)CC3
    C2)C(F)C(F)C4C5C(F)C(F)C(C(F)C5F)CC6CC8N
    (CC6)[Ru+2]%11%13(N7CCC(=CC78)C)(n9C=CCC
    c9c%10C=CCCn%10%11)n%14c(c%12n%13CCCC%12
    )CCCC%14; CC1=C[C@H]2[C@@H]3C[C@H](CCN3[
    Ru++]45(N2CC1)(N6CCCCC6=C7CCCCN47)N8CCC=
    CC8=C9CCC=CN59)C[C@@H]%10[C@@H](F)[C@H](
    F)[C@H]([C@H](F)[C@H]%10F)[C@@H]%11[C@H]
    (F)[C@@H](F)[C@@H](N[C@H]%12C%13CC%14CC(
    C%13)CC%12C%14)[C@@H](F)[C@@H]%11F; CC1=
    C[CH]2[CH]3C[CH](CCN3[Ru++]45(N2CC1)(N6C
    CCCC6=C7CCCCN47)N8CCC=CC8=C9CCC=CN59)C[C
    H]%10[CH](F)[CH](F)[CH]([CH](F)[CH]%10F)
    [CH]%11[CH](F)[CH](F)[CH](N[CH]%12C%13CC
    %14CC(C%13)CC%12C%14)[CH](F)[CH]%11F    		 LAMBDA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II)
    34699
    RFC
    ZINC000263620817    		 8 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-/m1/s1;
    NXIKDQUQQHUCJH-NGSKWOHTSA-O    		 CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)C
    CNC(=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)Cc1cc
    c(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
    [CH]([CH](O)[CH]2O[P](O)(O)=O)[n+]3c[nH]
    c4c(N)ncnc34; O=C(SCCNC(=O)CCNC(=O)C(O)C
    (C)(C)COP(=O)(O)OP(=O)(O)OCC3OC([n+]2cnc
    1c2ncnc1N)C(O)C3OP(=O)(O)O)C(c4ccc(cc4)C
    C(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)O
    CC2C(C(C(O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O
    )(O)O)O    		 (R)-IBUPROFENOYL-COENZYME A;
    [5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(R)-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
    34700
    RFE
    CHEMBL4786103    		 3 C14 H23 N6 O5 P S InChI=1S/C14H23N6O5PS/c1-
    9(5-20-7-18-11-12(15)16-6
    -17-13(11)20)25-8-26(23,2
    4)19-10(14(21)22)3-4-27-2
    /h6-7,9-10H,3-5,8H2,1-2H3
    ,(H,21,22)(H2,15,16,17)(H
    2,19,23,24)/t9-,10+/m1/s1;
    PEQPYHOXTFLJCT-ZJUUUORDSA-N    		 CSCC[CH](N[P](O)(=O)CO[CH](C)Cn1cnc2c(N)
    ncnc12)C(O)=O; C[C@H](Cn1cnc2c1ncnc2N)OC
    P(=O)(N[C@@H](CCSC)C(=O)O)O; CSCC[C@H](N
    [P](O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12)C(
    O)=O; CC(Cn1cnc2c1ncnc2N)OCP(=O)(NC(CCSC
    )C(=O)O)O    		 L-Methionine Tenofovir;
    (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid
    34701
    RFF    		 2 C22 H21 Cl N6 O3 S InChI=1S/C22H21ClN6O3S/c1
    -28-20-15(8-26-28)7-25-9-
    19(20)27-21(30)18-11-29(1
    0-14-2-3-16(23)6-17(14)18
    )33(31,32)13-22(12-24)4-5
    -22/h2-3,6-9,18H,4-5,10-1
    1,13H2,1H3,(H,27,30)/t18-
    /m1/s1;
    ZFCGSGJZJHDJGS-GOSISDBHSA-N    		 Cn1ncc2cncc(NC(=O)[C@@H]3CN(Cc4ccc(Cl)cc
    34)[S](=O)(=O)CC5(CC5)C#N)c12; Cn1c2c(cn
    cc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC
    5(CC5)C#N)cn1; Cn1c2c(cncc2NC(=O)[C@@H]3
    CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c
    n1; Cn1ncc2cncc(NC(=O)[CH]3CN(Cc4ccc(Cl)
    cc34)[S](=O)(=O)CC5(CC5)C#N)c12; Cn1ncc2
    cncc(NC(=O)C3CN(Cc4ccc(Cl)cc43)S(=O)(=O)
    CC3(C#N)CC3)c12    		 (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    34702
    RFG
    CHEMBL4632672    		 4 C19 H19 N9 O2 InChI=1S/C19H19N9O2/c1-12
    (2)27-11-22-25-17(27)14-5
    -4-6-15(23-14)24-18(29)13
    -10-28(26-19(13)30-3)16-9
    -20-7-8-21-16/h4-12H,1-3H
    3,(H,23,24,29);
    FTPVMITWJIXRGQ-UHFFFAOYSA-N    		 CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c
    4cnccn4; C(Nc2nc(c1nncn1C(C)C)ccc2)(c3cn
    (nc3OC)c4cnccn4)=O; COc1nn(cc1C(=O)Nc2cc
    cc(n2)c3nncn3C(C)C)c4cnccn4    		 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide
    34703
    RFH    		 1 C43 H58 N4 O13 InChI=1S/C43H58N4O13/c1-2
    1(12-11-13-22(2)42(44)56)
    33(49)24(4)34(50)25(5)39(
    59-27(7)48)23(3)29(57-10)
    14-19-58-43(8)41(55)32-30
    -31(35(51)26(6)40(32)60-4
    3)38(54)37(53)28(36(30)52
    )20-45-47-17-15-46(9)16-1
    8-47/h11-14,19-21,23-25,2
    9,33-34,39,49-51,53H,15-1
    8H2,1-10H3,(H2,44,56)/b12
    -11+,19-14+,22-13+,45-20+
    /t21-,23+,24+,25+,29-,33-
    ,34+,39+,43-/m0/s1;
    ABIUUBSHMGGSQA-ONSLPDPNSA-N    		 Cc1c(c2c(c3c1OC(C3=O)(C)OC=CC(C(C)C(C(C)
    C(C(C)C(C(C)C=CC=C(C)C(=O)N)O)O)OC(=O)C)
    OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C)O; CO
    [CH](C=CO[C]1(C)Oc2c(C)c(O)c3C(=O)C(=C(C
    =NN4CCN(C)CC4)C(=O)c3c2C1=O)O)[CH](C)[CH
    ](OC(C)=O)[CH](C)[CH](O)[CH](C)[CH](O)[C
    H](C)C=CC=C(C)C(N)=O; O=C(N)C(=[C@H][C@H
    ]=[C@H]C(C)C(O)C(C)C(C(C)C(C(C)C(\C=C\OC
    1(C(c2c(O1)c(c(c3c2C(=O)C(=C(O)C3=O)[C@H
    ]=NN4CCN(CC4)C)O)C)=O)C)OC)OC(=O)C)O)C;
    Cc1c(c2c(c3c1O[C@](C3=O)(C)O/C=C/[C@@H](
    [C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C
    @H]([C@@H](C)/C=C/C=C(\C)/C(=O)N)O)O)OC(
    =O)C)OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C)
    O; CO[C@@H](\C=C\O[C@@]1(C)Oc2c(C)c(O)c3
    C(=O)C(=C(/C=N/N4CCN(C)CC4)C(=O)c3c2C1=O
    )O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H]
    (O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(C)
    /C(N)=O    		 (1E,3S,4R,5S,6R,7R,8R,9S,10S,11E,13E)-15-amino-1-{[(2S)-5,7-dihydroxy-2,4-dimethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate
    34704
    RFI    		 1 C17 H16 F N5 O2 InChI=1S/C17H16FN5O2/c18-
    10-1-2-12-13(7-10)21-15-1
    4(12)16(20-9-19-15)22-4-3
    -11(8-22)23-5-6-25-17(23)
    24/h1-2,7,9,11H,3-6,8H2,(
    H,19,20,21)/t11-/m0/s1;
    JXLRADUCHRSAKP-NSHDSACASA-N    		 Fc1ccc2c([nH]c3ncnc(N4CC[C@@H](C4)N5CCOC
    5=O)c23)c1; Fc1ccc2c3c([NH]c2c1)ncnc3N1C
    CC(C1)N1CCOC1=O; c1cc2c(cc1F)[nH]c3c2c(n
    cn3)N4CCC(C4)N5CCOC5=O; c1cc2c(cc1F)[nH]
    c3c2c(ncn3)N4CC[C@@H](C4)N5CCOC5=O; Fc1c
    cc2c([nH]c3ncnc(N4CC[CH](C4)N5CCOC5=O)c2
    3)c1    		 3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
    34705
    RFJ    		 0 C11 H16 N5 O7 P S InChI=1S/C11H16N5O7PS/c1-
    21-7-6(17)4(2-22-24(19,20
    )25)23-10(7)16-3-13-5-8(1
    6)14-11(12)15-9(5)18/h3-4
    ,6-7,10,17H,2H2,1H3,(H2,1
    9,20,25)(H3,12,14,15,18)/
    t4-,6-,7-,10-/m1/s1;
    QUDYZWLGVZGRFN-KQYNXXCUSA-N    		 COC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=S)(O
    )O)O; CO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O
    [CH]1n2cnc3C(=O)NC(=Nc23)N; COC3C(n2c1N=
    C(N)NC(c1nc2)=O)OC(C3O)COP(O)(O)=S; CO[C
    @@H]1[C@H](O)[C@@H](CO[P](O)(O)=S)O[C@H]
    1n2cnc3C(=O)NC(=Nc23)N; CO[C@@H]1[C@@H](
    [C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=S)
    (O)O)O    		 2'-O-methyl-5'-O-thiophosphonoguanosine
    34706
    RFL
    DB03482
    ZINC000098209358    		 1 C28 H36 N10 O15 P2 InChI=1S/C28H36N10O15P2/c
    1-11-4-12-14(5-13(11)36(2
    )3)37(25-19(33-12)26(44)3
    5-28(45)34-25)6-15(39)20(
    41)16(40)7-50-54(46,47)53
    -55(48,49)51-8-17-21(42)2
    2(43)27(52-17)38-10-32-18
    -23(29)30-9-31-24(18)38/h
    4-5,9-10,15-17,20-22,27,3
    9-43H,6-8H2,1-3H3,(H,46,4
    7)(H,48,49)(H2,29,30,31)(
    H,35,44,45)/t15-,16+,17+,
    20-,21+,22+,27+/m0/s1;
    UXOZEHHQWXVTPI-MZWSMYJRSA-N    		 Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)
    C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@
    ](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n
    5cnc6c5ncnc6N)O)O)O)O)O; CN(C)c1cc2N(C[C
    H](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=
    O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)n
    cnc45)C6=NC(=O)NC(=O)C6=Nc2cc1C; Cc1cc2c
    (cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(
    COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5
    ncnc6N)O)O)O)O)O; CN(C)c1cc2N(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)C6=Nc2cc1C; O=C
    2C3=Nc1cc(c(N(C)C)cc1N(C3=NC(=O)N2)CC(O)
    C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4
    c(ncnc45)N)C(O)C6O)C    		 8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-ADENINE-DINUCLEOTIDE
    34707
    RFM
    CHEMBL2442060    		 2 C26 H21 N5 O2 S InChI=1S/C26H21N5O2S/c32-
    25(17-31-24-9-5-4-8-23(24
    )28-29-31)30(16-19-14-15-
    34-18-19)22-12-10-21(11-1
    3-22)27-26(33)20-6-2-1-3-
    7-20/h1-15,18H,16-17H2,(H
    ,27,33);
    WHSQOXMSNUWORU-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(=
    O)Cn4c5ccccc5nn4; O=C(Cn1nnc2ccccc12)N(C
    c3cscc3)c4ccc(NC(=O)c5ccccc5)cc4; O=C(N(
    Cc1cscc1)c3ccc(NC(=O)c2ccccc2)cc3)Cn5c4c
    (cccc4)nn5    		 N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide
    34708
    RFN
    CHEMBL2023131
    ZINC000084618991    		 1 C17 H20 N2 O5 S InChI=1S/C17H20N2O5S/c1-1
    7(16(21)18-22,25(2,23)24)
    9-11-19-10-8-14(12-15(19)
    20)13-6-4-3-5-7-13/h3-8,1
    0,12,22H,9,11H2,1-2H3,(H,
    18,21)/t17-/m1/s1;
    NFQOWMXNJNMRTA-QGZVFWFLSA-N    		 O=S(=O)(C(C(=O)NO)(CCN1C=CC(=CC1=O)c2ccc
    cc2)C)C; C[C@@](CCN1C=CC(=CC1=O)c2ccccc2
    )(C(=O)NO)S(=O)(=O)C; C[C](CCN1C=CC(=CC1
    =O)c2ccccc2)(C(=O)NO)[S](C)(=O)=O; CC(CC
    N1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O
    )C; C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=
    O)NO)[S](C)(=O)=O    		 (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide
    34709
    RFO    		 1 C11 H10 Cl N O2 InChI=1S/C11H10ClNO2/c1-1
    5-7-11(14)13-6-5-8-9(12)3
    -2-4-10(8)13/h2-6H,7H2,1H
    3;
    SLZGAMVJAWAHJX-UHFFFAOYSA-N    		 COCC(=O)n1ccc2c(Cl)cccc12; COCC(=O)n1ccc
    2c1cccc2Cl    		 1-(4-chloranylindol-1-yl)-2-methoxy-ethanone
    34710
    RFP
    CHEMBL374478
    DB01045
    ZINC000169621223    		 26 C43 H58 N4 O12 InChI=1S/C43H58N4O12/c1-2
    1-12-11-13-22(2)42(55)45-
    33-28(20-44-47-17-15-46(9
    )16-18-47)37(52)30-31(38(
    33)53)36(51)26(6)40-32(30
    )41(54)43(8,59-40)57-19-1
    4-29(56-10)23(3)39(58-27(
    7)48)25(5)35(50)24(4)34(2
    1)49/h11-14,19-21,23-25,2
    9,34-35,39,49-53H,15-18H2
    ,1-10H3,(H,45,55)/b12-11+
    ,19-14+,22-13-,44-20+/t21
    -,23+,24+,25+,29-,34-,35+
    ,39+,43-/m0/s1;
    JQXXHWHPUNPDRT-WLSIYKJHSA-N    		 Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([
    C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C
    @H](C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CC
    N(CC5)C)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O; O
    =C4c5c2c(O)c(\C=N\N1CCN(C)CC1)c3c(O)c2c(
    O)c(c5OC4(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C
    (C)C(O)C(C=CC=C(C(=O)N3)C)C)C)C)C; CO[CH
    ]1C=CO[C]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(
    =CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)
    [CH](OC(C)=O)[CH]1C)C)c(C=NN5CCN(C)CC5)c
    (O)c4c3C2=O; CO[C@H]1\C=C\O[C@@]2(C)Oc3c
    (C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[
    C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](
    OC(C)=O)[C@@H]1C)C)c(\C=N\N5CCN(C)CC5)c(
    O)c4c3C2=O; Cc1c(c2c3c4c1OC(C4=O)(OC=CC(
    C(C(C(C(C(C(C(C=CC=C(C(=O)Nc(c2O)c(c3O)C
    =NN5CCN(CC5)C)C)C)O)C)O)C)OC(=O)C)C)OC)C
    )O    		 RIFAMPICIN
    34711
    RFQ
    ZINC000103253473    		 3 C24 H21 N4 O2 S2 InChI=1S/C24H22N4O2S2/c25
    -23(21-9-3-11-31-21)27-17
    -6-1-5-16(13-17)20(29)15-
    30-19-8-2-7-18(14-19)28-2
    4(26)22-10-4-12-32-22/h1-
    14,20,29H,15H2,(H2,25,27)
    (H2,26,28)/t20-/m1/s1;
    ZCTCFQXRJWOQIL-HXUWFJFHSA-N    		 O[C@H](COc1cccc([N]C(=N)c2sccc2)c1)c3ccc
    c(NC(=N)c4sccc4)c3; N(c3cc(OCC(O)c2cccc(
    NC(=[N@H])c1sccc1)c2)ccc3)C(=[N@H])c4scc
    c4; [H]/N=C(/c1cccs1)\Nc2cccc(c2)[C@@H](
    COc3cccc(c3)[N]/C(=N\[H])/c4cccs4)O; c1c
    c(cc(c1)NC(=N)c2cccs2)C(COc3cccc(c3)[N]C
    (=N)c4cccs4)O; O[CH](COc1cccc([N]C(=N)c2
    sccc2)c1)c3cccc(NC(=N)c4sccc4)c3    		 N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
    34712
    RFR    		 1 C23 H24 Cl N5 O4 S InChI=1S/C23H24ClN5O4S/c1
    -25-22(30)13-29-11-15-3-5
    -16(24)7-18(15)20(12-29)2
    3(31)27-21-10-26-9-14-4-6
    -17(8-19(14)21)28-34(2,32
    )33/h3-10,20,28H,11-13H2,
    1-2H3,(H,25,30)(H,27,31)/
    t20-/m1/s1;
    BDCZHNBCXCBWRA-HXUWFJFHSA-N    		 CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)C1CN(Cc
    2ccc(Cl)cc21)CC(=O)NC; CNC(=O)CN1Cc2ccc(
    cc2C(C1)C(=O)Nc3cncc4c3cc(cc4)NS(=O)(=O)
    C)Cl; CNC(=O)CN1C[CH](C(=O)Nc2cncc3ccc(N
    [S](C)(=O)=O)cc23)c4cc(Cl)ccc4C1; CNC(=O
    )CN1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3c
    c(cc4)NS(=O)(=O)C)Cl; CNC(=O)CN1C[C@@H](
    C(=O)Nc2cncc3ccc(N[S](C)(=O)=O)cc23)c4cc
    (Cl)ccc4C1    		 (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    34713
    RFS
    CHEMBL4848081    		 2 C19 H20 Br N O3 InChI=1S/C19H20BrNO3/c20-
    15-3-1-13(2-4-15)17-7-8-2
    1-10-14(17)11-22-16-5-6-1
    8-19(9-16)24-12-23-18/h1-
    6,9,14,17,21H,7-8,10-12H2
    /t14-,17-/m0/s1;
    SESIBYYWBYIMLH-YOEHRIQHSA-N    		 c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)O
    CO4)Br; c4(ccc(C1CCNCC1COc2cc3c(cc2)OCO3
    )cc4)Br; Brc1ccc(cc1)[CH]2CCNC[CH]2COc3c
    cc4OCOc4c3; c1cc(ccc1C2CCNCC2COc3ccc4c(c
    3)OCO4)Br; Brc1ccc(cc1)[C@@H]2CCNC[C@H]2
    COc3ccc4OCOc4c3    		 Br-paroxetine;
    (3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-bromophenyl)piperidine
    34714
    RFT    		 0 C15 H24 N2 O3 S3 InChI=1S/C15H24N2O3S3/c1-
    4-5-10-22-14(21)23-15(2,3
    )13(20)16-8-9-17-11(18)6-
    7-12(17)19/h4-10H2,1-3H3,
    (H,16,20);
    RVSHKKVKYZTEOC-UHFFFAOYSA-N    		 CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O;
    C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)
    =O    		 butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
    34715
    RFU    		 1 C17 H16 F N5 O2 InChI=1S/C17H16FN5O2/c18-
    10-1-2-12-13(7-10)21-15-1
    4(12)16(20-9-19-15)22-4-3
    -11(8-22)23-5-6-25-17(23)
    24/h1-2,7,9,11H,3-6,8H2,(
    H,19,20,21)/t11-/m1/s1;
    JXLRADUCHRSAKP-LLVKDONJSA-N    		 c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC[C@H](C4)
    N5CCOC5=O; Fc1ccc2c([nH]c3ncnc(N4CC[C@H]
    (C4)N5CCOC5=O)c23)c1; Fc1ccc2c3c([NH]c2c
    1)ncnc3N1CCC(C1)N1CCOC1=O; c1cc2c(cc1F)[
    nH]c3c2c(ncn3)N4CCC(C4)N5CCOC5=O; Fc1ccc
    2c([nH]c3ncnc(N4CC[CH](C4)N5CCOC5=O)c23)
    c1    		 3-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
    34716
    RFV    		 2 C37 H49 N O12 InChI=1S/C37H49NO12/c1-16
    -11-10-12-17(2)36(46)38-2
    3-15-24(40)26-27(32(23)44
    )31(43)21(6)34-28(26)35(4
    5)37(8,50-34)48-14-13-25(
    47-9)18(3)33(49-22(7)39)2
    0(5)30(42)19(4)29(16)41/h
    10-16,18-20,25,29-30,33,3
    5,40-45H,1-9H3,(H,38,46)/
    b11-10+,14-13+,17-12-/t16
    -,18+,19+,20+,25-,29-,30+
    ,33+,35+,37-/m0/s1;
    OUOULRWGQDSKTQ-ZVFQNIRDSA-N    		 Cc1c(c2c3c(cc(c2O)NC(=O)C(=CC=CC(C(C(C(C
    (C(C(C(C=COC4(C(c3c1O4)O)C)OC)C)OC(=O)C)
    C)O)C)O)C)C)O)O; Cc1c(c2c3c(cc(c2O)NC(=O
    )C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H
    ]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4([C@@H
    ](c3c1O4)O)C)OC)C)OC(=O)C)C)O)C)O)C)C)O)
    O; CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4c(O)c(
    NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O
    )[CH](C)[CH](OC(C)=O)[CH]1C)C)cc(O)c4c3[
    CH]2O; CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O
    )c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O
    )[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=
    O)[C@@H]1C)C)cc(O)c4c3[C@H]2O; O=C(OC4C(
    C)C(OC)C=COC3(Oc2c(c(O)c1c(O)c(cc(O)c1c2
    C3O)NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C4C)C)C
    )C)C    		 rifamycin SV
    34717
    RFW    		 8 C8 H14 N O9 P InChI=1S/C8H16NO9P/c1-4(1
    1)9-5(2-10)7(13)8(14)6(12
    )3-18-19(15,16)17/h2,5-8,
    12-14H,3H2,1H3,(H,9,11)(H
    2,15,16,17)/p-2/t5-,6+,7+
    ,8+/m0/s1;
    QDSLHWJDSQGPEE-LXGUWJNJSA-L    		 CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[
    P]([O-])([O-])=O; [O-]P([O-])(=O)OCC(O)C
    (O)C(O)C(C=O)NC(=O)C; CC(=O)NC(C=O)C(C(C
    (COP(=O)([O-])[O-])O)O)O; CC(=O)N[C@@H](
    C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-
    ])O)O)O; CC(=O)N[C@@H](C=O)[C@@H](O)[C@H
    ](O)[C@H](O)CO[P]([O-])([O-])=O    		 N-acetyl-D-glucosamine-6-phosphate
    34718
    RFX
    CHEMBL153036
    DB08472
    ZINC000001530638    		 2 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-/m1/s1;
    RTHCYVBBDHJXIQ-MRXNPFEDSA-N    		 CNCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2; C
    NCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2;
    CNCCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F; CNCC
    [C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F; FC(F
    )(F)c2ccc(OC(c1ccccc1)CCNC)cc2    		 (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;
    Fluoxetine
    34719
    RFY    		 2 C19 H20 I N O3 InChI=1S/C19H20INO3/c20-1
    5-3-1-13(2-4-15)17-7-8-21
    -10-14(17)11-22-16-5-6-18
    -19(9-16)24-12-23-18/h1-6
    ,9,14,17,21H,7-8,10-12H2/
    t14-,17-/m0/s1;
    QJFNUDYGOMCKMV-YOEHRIQHSA-N    		 c4(ccc(C1CCNCC1COc2cc3c(cc2)OCO3)cc4)I;
    Ic1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc
    4c3; c1cc(ccc1C2CCNCC2COc3ccc4c(c3)OCO4)
    I; Ic1ccc(cc1)[CH]2CCNC[CH]2COc3ccc4OCOc
    4c3; c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c
    (c3)OCO4)I    		 I-paroxetine;
    (3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-iodophenyl)piperidine
    34720
    RFZ
    CHEMBL375530
    DB08473
    ZINC000003873418    		 6 C12 H12 Cl2 N2 O4 InChI=1S/C12H12Cl2N2O4/c1
    3-5-1-7-8(2-6(5)14)16(4-1
    5-7)12-11(19)10(18)9(3-17
    )20-12/h1-2,4,9-12,17-19H
    ,3H2/t9-,10-,11-,12-/m1/s
    1;
    XHSQDZXAVJRBMX-DDHJBXDOSA-N    		 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3cc
    (Cl)c(Cl)cc23; c1c2c(cc(c1Cl)Cl)n(cn2)C3
    C(C(C(O3)CO)O)O; c1c2c(cc(c1Cl)Cl)n(cn2)
    [C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O; OC[
    CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(Cl)c(Cl
    )cc23; Clc2cc1ncn(c1cc2Cl)C3OC(C(O)C3O)C
    O    		 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole
    34721
    RG0    		 1 C11 H9 Cl F3 N O InChI=1S/C11H9ClF3NO/c1-6
    (17)16-5-4-7-9(16)3-2-8(1
    2)10(7)11(13,14)15/h2-3H,
    4-5H2,1H3;
    OCTQANMBVHBRLQ-UHFFFAOYSA-N    		 CC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F; CC(=O)N
    1CCc2c1ccc(c2C(F)(F)F)Cl    		 1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
    34722
    RG1
    ZINC000584905650    		 0 C46 H66 O6 InChI=1S/C46H66O6/c1-34(2
    )19-13-22-37(5)25-16-28-3
    8(6)26-14-23-35(3)20-11-1
    2-21-36(4)24-15-27-39(7)2
    9-17-30-40(8)31-18-32-46(
    9,10)52-45-44(50)43(49)42
    (48)41(33-47)51-45/h11-17
    ,19-30,41-45,47-50H,18,31
    -33H2,1-10H3/b12-11+,22-1
    3+,23-14+,24-15+,28-16+,2
    9-17+,35-20+,36-21+,37-25
    +,38-26+,39-27+,40-30+/t4
    1-,42-,43+,44-,45+/m1/s1;
    ISHBHDBCVQRMDY-GZIKAPSJSA-N    		 CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=
    C(C)C=CC=C(C)CCCC(C)(C)OC1C(C(C(C(O1)CO)
    O)O)O)C)C)C)C; CC(C)=CC=CC(C)=CC=CC(C)=C
    C=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC
    (C)(C)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1
    O; CC(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C
    )=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\CCC
    C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](
    O)[C@H]1O; CC(=C/C=C/C(=C/C=C/C(=C/C=C/C
    (=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/
    CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@
    H](O1)CO)O)O)O)/C)/C)/C)C; C1(OC(C(C(C1O
    )O)O)CO)OC(C)(C)CCCC(C)=[C@H][C@H]=[C@H]
    C(C)=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@
    H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[
    C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)C    		 Rhodopin b-D-glucoside;
    (3E)-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl beta-D-glucopyranoside
    34723
    RG2
    CHEMBL4591732
    ZINC000219657135    		 2 C17 H11 Cl F3 N3 O2 InChI=1S/C17H11ClF3N3O2/c
    18-11-4-1-9(2-5-11)8-22-1
    5-14(16(25)26)23-12-6-3-1
    0(17(19,20)21)7-13(12)24-
    15/h1-7H,8H2,(H,22,24)(H,
    25,26);
    JMDVDONAIBYSLS-UHFFFAOYSA-N    		 OC(=O)c1nc2ccc(cc2nc1NCc3ccc(Cl)cc3)C(F)
    (F)F; c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F
    )F)C(=O)O)Cl; FC(F)(F)c1cc2nc(c(nc2cc1)C
    (=O)O)NCc3ccc(Cl)cc3    		 3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
    34724
    RG3    		 2 C23 H21 Cl N4 O5 S InChI=1S/C23H21ClN4O5S/c1
    -25-21(29)12-28-11-19(18-
    8-14(24)3-5-17(18)23(28)3
    1)22(30)27-20-10-26-9-13-
    7-15(34(2,32)33)4-6-16(13
    )20/h3-10,19H,11-12H2,1-2
    H3,(H,25,29)(H,27,30)/t19
    -/m1/s1;
    WWUGNTBTHKNOGA-LJQANCHMSA-N    		 CNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cn
    cc4c3ccc(c4)S(=O)(=O)C; CNC(=O)CN1C[C@H]
    (c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4)
    S(=O)(=O)C; CNC(=O)CN1C[CH](C(=O)Nc2cncc
    3cc(ccc23)[S](C)(=O)=O)c4cc(Cl)ccc4C1=O;
    CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc(ccc23
    )[S](C)(=O)=O)c4cc(Cl)ccc4C1=O; CS(=O)(=
    O)c1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C(
    =O)c2ccc(Cl)cc21    		 (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    34725
    RG4
    CHEMBL1287854
    ZINC000063539381    		 4 C17 H18 N6 InChI=1S/C17H18N6/c18-7-5
    -15(12-3-1-2-4-12)23-10-1
    3(9-22-23)16-14-6-8-19-17
    (14)21-11-20-16/h6,8-12,1
    5H,1-5H2,(H,19,20,21)/t15
    -/m0/s1;
    HFNKQEVNSGCOJV-HNNXBMFYSA-N    		 N#CC[CH](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc
    34; c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@@H](CC
    #N)C4CCCC4; N#CC[C@@H](C1CCCC1)n2cc(cn2)
    c3ncnc4[nH]ccc34; c1c[nH]c2c1c(ncn2)c3cn
    n(c3)C(CC#N)C4CCCC4; c4(c1ncnc2nccc12)cn
    n(C(CC#N)C3CCCC3)c4    		 (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
    34726
    RG5    		 1 C15 H13 F N8 O InChI=1S/C15H13FN8O/c16-8
    -1-2-9-10(5-8)19-14-12(9)
    15(18-7-17-14)24-3-4-25-1
    1(6-24)13-20-22-23-21-13/
    h1-2,5,7,11H,3-4,6H2,(H,1
    7,18,19)(H,20,21,22,23)/t
    11-/m1/s1;
    BPQSGQBVNCJOKS-LLVKDONJSA-N    		 Fc1ccc2c3c(ncnc3[NH]c2c1)N1CC(OCC1)c1nnn
    [NH]1; Fc1ccc2c([nH]c3ncnc(N4CCO[CH](C4)
    c5[nH]nnn5)c23)c1; c1cc2c(cc1F)[nH]c3c2c
    (ncn3)N4CCO[C@H](C4)c5[nH]nnn5; c1cc2c(c
    c1F)[nH]c3c2c(ncn3)N4CCOC(C4)c5[nH]nnn5;
    Fc1ccc2c([nH]c3ncnc(N4CCO[C@H](C4)c5[nH
    ]nnn5)c23)c1    		 7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole
    34727
    RG6    		 1 C8 H3 Cl F6 O S2 InChI=1S/C8H3ClF6OS2/c9-4
    -1-3(17-7(10,11)12)2-5(6(
    4)16)18-8(13,14)15/h1-2,1
    6H;
    VFNOHWLGFSZWDJ-UHFFFAOYSA-N    		 Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F; Oc1c(
    SC(F)(F)F)cc(cc1Cl)SC(F)(F)F; c1c(cc(c(c
    1SC(F)(F)F)O)Cl)SC(F)(F)F    		 2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol
    34728
    RG7
    CHEMBL4643996    		 2 C23 H26 Cl2 F4 N4 O5 S2 InChI=1S/C23H26Cl2F4N4O5S
    2/c1-11(23(27,28)29)32-40
    (37,38)14-5-4-13(15(24)16
    (14)25)18-17(21(35)33-8-6
    -12(26)7-9-33)31-20(39-18
    )19(34)30-10-22(2,3)36/h4
    -5,11-12,32,36H,6-10H2,1-
    3H3,(H,30,34)/t11-/m0/s1;
    VZRCTKJCGGBKBW-NSHDSACASA-N    		 c3(c1c(nc(C(=O)NCC(C)(C)O)s1)C(N2CCC(CC2
    )F)=O)c(Cl)c(c(cc3)S(NC(C)C(F)(F)F)(=O)=
    O)Cl; CC(C(F)(F)F)NS(=O)(=O)c1ccc(c(c1Cl
    )Cl)c2c(nc(s2)C(=O)NCC(C)(C)O)C(=O)N3CCC
    (CC3)F; C[C@@H](C(F)(F)F)NS(=O)(=O)c1ccc
    (c(c1Cl)Cl)c2c(nc(s2)C(=O)NCC(C)(C)O)C(=
    O)N3CCC(CC3)F; C[CH](N[S](=O)(=O)c1ccc(c
    (Cl)c1Cl)c2sc(nc2C(=O)N3CCC(F)CC3)C(=O)N
    CC(C)(C)O)C(F)(F)F; C[C@H](N[S](=O)(=O)c
    1ccc(c(Cl)c1Cl)c2sc(nc2C(=O)N3CCC(F)CC3)
    C(=O)NCC(C)(C)O)C(F)(F)F    		 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
    34729
    RG9    		 2 C20 H19 Cl N2 O2 InChI=1S/C20H19ClN2O2/c1-
    20(2,25)15-6-7-17-14(10-1
    5)11-22-12-18(17)23-19(24
    )9-13-4-3-5-16(21)8-13/h3
    -8,10-12,25H,9H2,1-2H3,(H
    ,23,24);
    OUTGZQNFEUVFAN-UHFFFAOYSA-N    		 CC(C)(c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C
    l)O; CC(C)(O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3
    )cncc2c1; Clc1cccc(c1)CC(=O)Nc1cncc2cc(c
    cc21)C(C)(C)O    		 2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide
    34730
    RGA
    DB04774
    ZINC000169621246    		 1 C54 H87 N O13 InChI=1S/C54H87NO13/c1-35
    -18-16-20-51(58)68-54(41(
    7)53(66-15)37(3)23-26-46(
    57)39(5)47(63-12)19-17-27
    -55(8)34-56)38(4)22-25-43
    (60-9)32-48(64-13)36(2)21
    -24-44(61-10)33-49(65-14)
    40(6)50-30-42(31-52(59)67
    -50)29-45(28-35)62-11/h16
    -18,20-22,24-25,27,31,34,
    36-41,43-45,47-50,53-54H,
    19,23,26,28-30,32-33H2,1-
    15H3/b20-16+,24-21+,25-22
    +,27-17+,35-18+/t36-,37-,
    38-,39-,40+,41-,43-,44+,4
    5+,47+,48-,49-,50+,53-,54
    -/m0/s1;
    LOYDTENNTZZQJM-DIUYYEMASA-N    		 O=CN(\C=C\CC(OC)C(C(=O)CCC(C)C(OC)C(C)C1
    OC(=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C(C(OC
    )CC(OC)C=CC(C)C(OC)CC(OC)C=CC1C)C)C2)C)C
    ; CO[C@@H]1CC(=C/C=C/C(=O)O[C@@H]([C@@H]
    (C)/C=C/[C@@H](C[C@H](OC)[C@@H](C)/C=C/[
    C@H](C[C@H](OC)[C@@H](C)[C@H]2CC(=CC(=O)
    O2)C1)OC)OC)[C@@H](C)[C@@H](OC)[C@@H](C)
    CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)/
    C; C[C@H]1/C=C/[C@H](C[C@@H]([C@H]([C@H]
    2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[
    C@@H]([C@H](/C=C/[C@@H](C[C@@H]1OC)OC)C)
    [C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[
    C@@H](C/C=C/N(C)C=O)OC)OC)/C)OC)C)OC)OC;
    CC1C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=CC=C
    C(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)CCC(
    =O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)C)OC)OC;
    CO[CH]1CC(=CC=CC(=O)O[CH]([CH](C)C=C[CH
    ](C[CH](OC)[CH](C)C=C[CH](C[CH](OC)[CH](
    C)[CH]2CC(=CC(=O)O2)C1)OC)OC)[CH](C)[CH]
    (OC)[CH](C)CCC(=O)[CH](C)[CH](CC=CN(C)C=
    O)OC)C    		 REIDISPONGIOLIDE A;
    N-((E)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXO-11-((5Z,7Z,13Z,19Z)-3,15,17,21,23-PENTAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIO XO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)DODEC-1-ENYL)-N-METHYLFORMAMIDE
    34731
    RGC
    DB04775
    ZINC000263620951    		 1 C52 H84 O14 InChI=1S/C52H84O14/c1-32-
    16-15-17-49(56)66-52(38(7
    )51(64-14)34(3)20-23-43(5
    3)36(5)44(61-11)24-25-48(
    54)55)35(4)19-22-40(58-8)
    30-45(62-12)33(2)18-21-41
    (59-9)31-46(63-13)37(6)47
    -28-39(29-50(57)65-47)27-
    42(26-32)60-10/h15-19,21-
    22,29,33-38,40-42,44-47,5
    1-52H,20,23-28,30-31H2,1-
    14H3,(H,54,55)/b17-15+,21
    -18+,22-19+,32-16+/t33-,3
    4-,35-,36-,37+,38-,40-,41
    +,42+,44+,45-,46-,47+,51-
    ,52-/m0/s1;
    QTLSHCJDXCYLJK-VRWAWWQJSA-N    		 CO[CH]1CC(=CC=CC(=O)O[CH]([CH](C)C=C[CH]
    (C[CH](OC)[CH](C)C=C[CH](C[CH](OC)[CH](C
    )[CH]2CC(=CC(=O)O2)C1)OC)OC)[CH](C)[CH](
    OC)[CH](C)CCC(=O)[CH](C)[CH](CCC(O)=O)OC
    )C; CC1C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=C
    C=CC(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)C
    CC(=O)C(C)C(CCC(=O)O)OC)OC)C)OC)C)OC)OC;
    O=C(O)CCC(OC)C(C(=O)CCC(C)C(OC)C(C)C1OC
    (=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C(C(OC)C
    C(OC)C=CC(C)C(OC)CC(OC)C=CC1C)C)C2)C; CO
    [C@@H]1CC(=C/C=C/C(=O)O[C@@H]([C@@H](C)/
    C=C/[C@@H](C[C@H](OC)[C@@H](C)/C=C/[C@H]
    (C[C@H](OC)[C@@H](C)[C@H]2CC(=CC(=O)O2)C
    1)OC)OC)[C@@H](C)[C@@H](OC)[C@@H](C)CCC(
    =O)[C@H](C)[C@@H](CCC(O)=O)OC)/C; C[C@H]
    1\C=C\[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=
    O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@
    H](\C=C\[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)
    [C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC
    (=O)O)OC)OC)/C)OC)C)OC)OC    		 REIDISPONGIOLIDE C;
    (4R,5R,9S,10S,11S)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXO-11-((3R,5Z,7Z,11S,12S,13Z,15R,17S,18S,19Z,21S,23S,24R,25R)-3,15,17 ,21,23-PENTAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIOXO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)D ODECANOIC ACID
    34732
    RGD    		 1 C14 H23 N O4 InChI=1S/C14H23NO4/c16-5-
    4-14-9-15(13(18)10-2-1-3-
    10)7-11(14)6-12(8-17)19-1
    4/h10-12,16-17H,1-9H2/t11
    -,12-,14+/m0/s1;
    LOAFEZNLOIOHIT-SGMGOOAPSA-N    		 C2(OC1(CCO)CN(CC1C2)C(C3CCC3)=O)CO; C1CC
    (C1)C(=O)N2CC3CC(OC3(C2)CCO)CO; OCC[C]12
    CN(C[CH]1C[CH](CO)O2)C(=O)C3CCC3; OCC[C@
    @]12CN(C[C@@H]1C[C@@H](CO)O2)C(=O)C3CCC3
    ; C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(
    C2)CCO)CO    		 cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone
    34733
    RGE    		 2 C8 H17 N3 O3 S InChI=1S/C8H17N3O3S/c1-15
    (14)5-7(10)11-4-2-3-6(9)8
    (12)13/h6H,2-5,9H2,1H3,(H
    2,10,11)(H,12,13)/t6-,15+
    /m0/s1;
    PZGMBMRDRVWIGU-WDDATRMLSA-N    		 [H]/N=C(\CS(=O)C)/NCCC[C@@H](C(=O)O)N; C
    [S@@](=O)CC(=N)NCCC[C@H](N)C(O)=O; O=S(C
    C(=[N@H])NCCCC(C(=O)O)N)C; CS(=O)CC(=N)N
    CCCC(C(=O)O)N; C[S](=O)CC(=N)NCCC[CH](N)
    C(O)=O    		 (2S)-2-AMINO-5-(2-(METHYLSULFINYL)ACETIMIDAMIDO)PENTANOIC ACID
    34734
    RGF    		 1 C18 H17 F N4 O2 InChI=1S/C18H17FN4O2/c19-
    10-2-3-11-13(6-10)22-15-1
    4(11)16(21-9-20-15)23-7-1
    2(17(24)25)18(8-23)4-1-5-
    18/h2-3,6,9,12H,1,4-5,7-8
    H2,(H,24,25)(H,20,21,22)/
    t12-/m0/s1;
    RJMONMRVOQBIPJ-LBPRGKRZSA-N    		 OC(=O)[CH]1CN(CC12CCC2)c3ncnc4[nH]c5cc(F
    )ccc5c34; OC(=O)[C@@H]1CN(CC12CCC2)c3ncn
    c4[nH]c5cc(F)ccc5c34; c1cc2c(cc1F)[nH]c3
    c2c(ncn3)N4CC(C5(C4)CCC5)C(=O)O; O=C(O)C
    1CN(CC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c12;
    c1cc2c(cc1F)[nH]c3c2c(ncn3)N4C[C@H](C5(C
    4)CCC5)C(=O)O    		 (8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
    34735
    RGG
    CHEMBL446492
    ZINC000004096297    		 2 C9 H18 O8 InChI=1S/C9H18O8/c10-1-4(
    12)3-16-9-8(15)7(14)6(13)
    5(2-11)17-9/h4-15H,1-3H2/
    t4-,5-,6+,7+,8-,9-/m1/s1;
    NHJUPBDCSOGIKX-NTXXKDEISA-N    		 OC[CH](O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[
    CH]1O; C([C@@H]1[C@@H]([C@@H]([C@H]([C@@
    H](O1)OC[C@@H](CO)O)O)O)O)O; O(CC(O)CO)C
    1OC(C(O)C(O)C1O)CO; C(C1C(C(C(C(O1)OCC(C
    O)O)O)O)O)O; OC[C@@H](O)CO[C@@H]1O[C@H](
    CO)[C@H](O)[C@H](O)[C@H]1O    		 (2R)-2,3-dihydroxypropyl beta-D-galactopyranoside;
    (2R)-glyceryl-beta-D-galactopyranoside;
    (2R)-2,3-dihydroxypropyl beta-D-galactoside;
    (2R)-2,3-dihydroxypropyl D-galactoside;
    (2R)-2,3-dihydroxypropyl galactoside
    34736
    RGI    		 0 C2 H5 N O2 InChI=1S/C2H5NO2/c1-3-2(4
    )5/h3H,1H3,(H,4,5);
    UFEJKYYYVXYMMS-UHFFFAOYSA-N    		 CNC(O)=O; CNC(=O)O; O=C(O)NC METHYLCARBAMIC ACID
    34737
    RGJ
    CHEMBL4783492
    ZINC000584905651    		 1 C19 H17 Cl F N3 O3 InChI=1S/C19H17ClFN3O3/c1
    -22-19(25)12-9-23-15-8-17
    (27-3)16(26-2)7-11(15)18(
    12)24-14-5-4-10(20)6-13(1
    4)21/h4-9H,1-3H3,(H,22,25
    )(H,23,24);
    MXBCVSLLTIRSIL-UHFFFAOYSA-N    		 CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC
    )OC; CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc3ccc
    (Cl)cc3F    		 4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE
    34738
    RGK
    CHEMBL3827921
    ZINC000017060408    		 2 C14 H11 N3 O InChI=1S/C14H11N3O/c15-10
    -7-5-9(6-8-10)13-16-12-4-
    2-1-3-11(12)14(18)17-13/h
    1-8H,15H2,(H,16,17,18);
    PHQBXCTZDRMXMX-UHFFFAOYSA-N    		 Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2; O=C2c3cc
    ccc3N=C(c1ccc(N)cc1)N2; c1ccc2c(c1)C(=O)
    NC(=N2)c3ccc(cc3)N    		 2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one
    34739
    RGL    		 0 C6 H15 N4 O InChI=1S/C6H14N4O/c7-5(4-
    11)2-1-3-10-6(8)9/h4-5H,1
    -3,7H2,(H4,8,9,10)/p+1/t5
    -/m0/s1;
    QJYRUYURLPTHLR-YFKPBYRVSA-O    		 N[CH](CCCNC(N)=[NH2+])C=O; O=CC(N)CCCN\C
    (=[NH2+])N; C(CC(C=O)N)CNC(=[NH2+])N; C(
    C[C@@H](C=O)N)CNC(=[NH2+])N; N[C@@H](CCC
    NC(N)=[NH2+])C=O    		 ARGINAL
    34740
    RGM    		 1 C14 H17 N3 O2 InChI=1S/C14H17N3O2/c1-8(
    18)17-6-9-3-12-10-4-15-5-
    11(10)13(19)14(9,7-17)16(
    12)2/h4-5,9,12,15H,3,6-7H
    2,1-2H3/t9-,12-,14+/m0/s1;
    CPZLROCUKBXZER-DUFXMDAXSA-N    		 CC(=O)N1CC2CC3c4c[nH]cc4C(=O)C2(C1)N3C;
    CN1[CH]2C[CH]3CN(C[C]13C(=O)c4c[nH]cc24)
    C(C)=O; CN1[C@H]2C[C@H]3CN(C[C@@]13C(=O)
    c4c[nH]cc24)C(C)=O; CC(=O)N1C[C@@H]2C[C@
    H]3c4c[nH]cc4C(=O)[C@]2(C1)N3C; C1(=O)C4
    3C(CC(c2cncc12)N3C)CN(C(C)=O)C4    		 (3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one
    34741
    RGN
    CHEMBL4531025
    ZINC000095774681    		 1 C5 H8 F2 O2 InChI=1S/C5H8F2O2/c6-5(7)
    1-3(8)4(9)2-5/h3-4,8-9H,1
    -2H2/t3-,4-/m1/s1;
    RQJNPJXCMOLSSC-QWWZWVQMSA-N    		 O[C@@H]1CC(F)(F)C[C@H]1O; C1C(C(CC1(F)F)
    O)O; C1[C@H]([C@@H](CC1(F)F)O)O; O[CH]1C
    C(F)(F)C[CH]1O    		 (1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol
    34742
    RGO    		 1 C11 H9 F2 N O InChI=1S/C11H9F2NO/c12-11
    (13)6-8-5-7-3-1-2-4-9(7)1
    4(8)10(11)15/h1-4,8H,5-6H
    2/t8-/m0/s1;
    FBNLACZWDFCRLD-QMMMGPOBSA-N    		 c1ccc2c(c1)C[C@@H]3N2C(=O)C(C3)(F)F; FC1
    (F)C[CH]2Cc3ccccc3N2C1=O; c1ccc2c(c1)CC3
    N2C(=O)C(C3)(F)F; FC1(F)C[C@@H]2Cc3ccccc
    3N2C1=O    		 (3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one
    34743
    RGP
    ZINC000003870044    		 13 C5 H10 N O7 P InChI=1S/C5H10NO7P/c6-3(5
    (8)9)1-2-4(7)13-14(10,11)
    12/h3H,1-2,6H2,(H,8,9)(H2
    ,10,11,12)/t3-/m1/s1;
    PJRXVIJAERNUIP-GSVOUGTGSA-N    		 N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O; O=C(OP
    (=O)(O)O)CCC(C(=O)O)N; C(CC(=O)OP(=O)(O)
    O)C(C(=O)O)N; N[C@H](CCC(=O)O[P](O)(O)=O
    )C(O)=O; C(CC(=O)OP(=O)(O)O)[C@H](C(=O)O
    )N    		 GAMMA-GLUTAMYL PHOSPHATE;
    5-OXO-5-(PHOSPHONOOXY)-D-NORVALINE
    34744
    RGQ    		 2 C22 H20 Cl F N4 O2 InChI=1S/C22H20ClFN4O2/c1
    -25-21(29)12-28-10-13-2-3
    -15(23)7-18(13)19(11-28)2
    2(30)27-20-9-26-8-14-6-16
    (24)4-5-17(14)20/h2-9,19H
    ,10-12H2,1H3,(H,25,29)(H,
    27,30)/t19-/m1/s1;
    HSFVRLOBMRHDCQ-LJQANCHMSA-N    		 CNC(=O)CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3
    ccc(c4)F)Cl; CNC(=O)CN1C[CH](C(=O)Nc2cnc
    c3cc(F)ccc23)c4cc(Cl)ccc4C1; CNC(=O)CN1C
    c2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3ccc(c4
    )F)Cl; CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc
    (F)ccc23)c4cc(Cl)ccc4C1; Fc1ccc2c(c1)cnc
    c2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC    		 (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    34745
    RGS
    ZINC000024986459    		 1 C20 H32 N6 O12 S2 InChI=1S/C20H32N6O12S2/c2
    1-9(19(35)36)1-3-23-17(33
    )11(25-13(27)5-15(29)30)7
    -39-40-8-12(26-14(28)6-16
    (31)32)18(34)24-4-2-10(22
    )20(37)38/h9-12H,1-8,21-2
    2H2,(H,23,33)(H,24,34)(H,
    25,27)(H,26,28)(H,29,30)(
    H,31,32)(H,35,36)(H,37,38
    )/t9-,10-,11+,12+/m0/s1;
    MRZMTLNHPCSZCE-NNYUYHANSA-N    		 C(CNC(=O)C(CSSCC(C(=O)NCCC(C(=O)O)N)NC(=
    O)CC(=O)O)NC(=O)CC(=O)O)C(C(=O)O)N; C(CN
    C(=O)[C@@H](CSSC[C@H](C(=O)NCC[C@@H](C(=
    O)O)N)NC(=O)CC(=O)O)NC(=O)CC(=O)O)[C@@H]
    (C(=O)O)N; N[CH](CCNC(=O)[CH](CSSC[CH](N
    C(=O)CC(O)=O)C(=O)NCC[CH](N)C(O)=O)NC(=O
    )CC(O)=O)C(O)=O; N[C@@H](CCNC(=O)[C@@H](
    CSSC[C@@H](NC(=O)CC(O)=O)C(=O)NCC[C@H](N
    )C(O)=O)NC(=O)CC(O)=O)C(O)=O; O=C(NC(C(=
    O)NCCC(C(=O)O)N)CSSCC(C(=O)NCCC(C(=O)O)N
    )NC(=O)CC(=O)O)CC(=O)O    		 4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDE
    34746
    RGT
    ZINC000098209365    		 1 C15 H25 N5 O21 P4 InChI=1S/C15H25N5O21P4/c1
    6-15-18-11-6(12(19-15)39-
    14-10(24)8(22)5(38-14)1-3
    5-42(25,26)27)17-3-20(11)
    13-9(23)7(21)4(37-13)2-36
    -44(31,32)41-45(33,34)40-
    43(28,29)30/h3-5,7-10,13-
    14,21-24H,1-2H2,(H,31,32)
    (H,33,34)(H2,16,18,19)(H2
    ,25,26,27)(H2,28,29,30)/t
    4-,5-,7-,8-,9-,10-,13-,14
    +/m1/s1;
    CZRRKFZDNKXXKR-MHJQXXNXSA-N    		 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO
    [P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)n
    c(nc2O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=
    O)(O)O)O)O)N; O=P(O)(O)OP(=O)(O)OP(=O)(O
    )OCC4OC(n2cnc1c(nc(nc12)N)OC3OC(C(O)C3O)
    COP(=O)(O)O)C(O)C4O; Nc1nc(O[CH]2O[CH](C
    O[P](O)(O)=O)[CH](O)[CH]2O)c3ncn([CH]4O[
    CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)
    [CH](O)[CH]4O)c3n1; c1nc2c(n1C3C(C(C(O3)
    COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)nc(nc2
    OC4C(C(C(O4)COP(=O)(O)O)O)O)N; Nc1nc(O[C
    @@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]
    2O)c3ncn([C@@H]4O[C@H](CO[P@](O)(=O)O[P@
    @](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]4O)c
    3n1    		 2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside;
    (Ribose-5'-phosphate)-(guanosine-5'-triphosphate)
    34747
    RGU    		 1 C11 H11 N O InChI=1S/C11H11NO/c13-11-
    6-5-9-7-8-3-1-2-4-10(8)12
    (9)11/h1-4,9H,5-7H2/t9-/m
    1/s1;
    QPPMCKRHXDXQPA-SECBINFHSA-N    		 c1ccc2c(c1)CC3N2C(=O)CC3; O=C1CC[CH]2Cc3
    ccccc3N12; O=C1CC[C@@H]2Cc3ccccc3N12; c1
    ccc2c(c1)C[C@@H]3N2C(=O)CC3    		 (3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one
    34748
    RGV    		 1 C13 H15 N3 O2 InChI=1S/C13H15N3O2/c1-15
    -11-2-8-5-16(7-17)6-13(8,
    15)12(18)10-4-14-3-9(10)1
    1/h3-4,7-8,11,14H,2,5-6H2
    ,1H3/t8-,11-,13+/m0/s1;
    HQZKECRFEYSMAO-LJUAHTATSA-N    		 C1(=O)c4cncc4C3CC2C1(CN(C=O)C2)N3C; CN1C
    2CC3C1(CN(C3)C=O)C(=O)c4c2c[nH]c4; CN1[C
    @H]2C[C@@H]3[C@]1(CN(C3)C=O)C(=O)c4c2c[n
    H]c4; CN1[CH]2C[CH]3CN(C[C]13C(=O)c4c[nH
    ]cc24)C=O; CN1[C@H]2C[C@H]3CN(C[C@@]13C(
    =O)c4c[nH]cc24)C=O    		 (3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde
    34749
    RGW    		 1 C30 H36 Cl N5 O S InChI=1S/C30H36ClN5OS/c1-
    16-17(2)38-29-26(16)27(22
    -4-6-23(31)7-5-22)33-24(2
    8-35-34-18(3)36(28)29)11-
    25(37)32-15-30-12-19-8-20
    (13-30)10-21(9-19)14-30/h
    4-7,19-21,24,27,33H,8-15H
    2,1-3H3,(H,32,37)/t19-,20
    +,21-,24-,27+,30-/m0/s1;
    BCOLLUBWOHQGAB-OGTRMZBGSA-N    		 Cc1c(sc-2c1[C@H](N[C@H](c3n2c(nn3)C)CC(=
    O)NCC45CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C;
    Cc1c(sc-2c1C(NC(c3n2c(nn3)C)CC(=O)NCC45
    CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C; Cc1sc2
    n3c(C)nnc3[CH](CC(=O)NCC45CC6CC(CC(C6)C4
    )C5)N[CH](c7ccc(Cl)cc7)c2c1C; Cc1sc2n3c(
    C)nnc3[C@H](CC(=O)NCC45CC6CC(CC(C6)C4)C5
    )N[C@H](c7ccc(Cl)cc7)c2c1C    		 ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
    34750
    RGX    		 2 C22 H21 Cl N4 O3 S InChI=1S/C22H21ClN4O3S/c2
    3-16-6-5-15-12-27(31(29,3
    0)26-17-7-8-17)13-20(19(1
    5)9-16)22(28)25-21-11-24-
    10-14-3-1-2-4-18(14)21/h1
    -6,9-11,17,20,26H,7-8,12-
    13H2,(H,25,28)/t20-/m1/s1;
    XGZIABVELMXRKW-HXUWFJFHSA-N    		 Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2
    c1)[S](=O)(=O)NC5CC5; O=S(=O)(NC1CC1)N1C
    c2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21; c
    1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(c
    c4)Cl)S(=O)(=O)NC5CC5; Clc1ccc2CN(C[C@@H
    ](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)N
    C5CC5; c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3c
    c(cc4)Cl)S(=O)(=O)NC5CC5    		 (4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    34751
    RGY    		 2 C12 H17 N3 O2 InChI=1S/C12H17N3O2/c1-6-
    9-10(17-14-6)8-3-7-4-13-5
    -12(7,11(9)16)15(8)2/h7-8
    ,11,13,16H,3-5H2,1-2H3/t7
    -,8-,11+,12+/m0/s1;
    ORUIQGBPSJFGIC-LDDIKCJXSA-N    		 Cc1c2c(on1)[C@@H]3C[C@H]4CNC[C@@]4([C@@H
    ]2O)N3C; Cc1c2c(on1)C3CC4CNCC4(C2O)N3C;
    CN1[C@H]2C[C@H]3CNC[C@@]13[C@H](O)c4c(C)
    noc24; CN1[CH]2C[CH]3CNC[C]13[CH](O)c4c(
    C)noc24; N1(C3c4onc(C)c4C(C12C(CNC2)C3)O
    )C    		 (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
    34752
    RGZ
    CHEMBL333304
    ZINC000000968330    		 3 C18 H19 N3 O3 S InChI=1S/C18H19N3O3S/c1-2
    1(16-4-2-3-9-19-16)10-11-
    24-14-7-5-13(6-8-14)12-15
    -17(22)20-18(23)25-15/h2-
    9,15H,10-12H2,1H3,(H,20,2
    2,23)/t15-/m1/s1;
    YASAKCUCGLMORW-OAHLLOKOSA-N    		 CN(CCOc1ccc(C[CH]2SC(=O)NC2=O)cc1)c3cccc
    n3; O=C1NC(=O)SC1Cc3ccc(OCCN(c2ncccc2)C)
    cc3; CN(CCOc1ccc(cc1)C[C@@H]2C(=O)NC(=O)
    S2)c3ccccn3; CN(CCOc1ccc(C[C@H]2SC(=O)NC
    2=O)cc1)c3ccccn3; CN(CCOc1ccc(cc1)CC2C(=
    O)NC(=O)S2)c3ccccn3    		 (R)-ROSIGLITAZONE
    34753
    RH    		 10 Rh InChI=1S/Rh/q+1;
    OBDSITLACDGNMC-UHFFFAOYSA-N    		 [Rh+] Rhodium
    34754
    RH0
    ZINC000098209366    		 0 C12 H17 N O3 S InChI=1S/C12H17NO3S/c13-1
    0(6-12(15)16)11(14)8-17-7
    -9-4-2-1-3-5-9/h1-5,10-11
    ,14H,6-8,13H2,(H,15,16)/t
    10-,11+/m0/s1;
    GEDFPMRZBOLEQA-WDEREUQCSA-N    		 c1ccc(cc1)CSCC(C(CC(=O)O)N)O; O=C(O)CC(N
    )C(O)CSCc1ccccc1; c1ccc(cc1)CSC[C@H]([C@
    H](CC(=O)O)N)O; N[CH](CC(O)=O)[CH](O)CSC
    c1ccccc1; N[C@@H](CC(O)=O)[C@H](O)CSCc1c
    cccc1    		 3-amino-5-S-benzyl-2,3-dideoxy-5-thio-D-erythro-pentonic acid
    34755
    RH1
    CHEMBL1235676
    DB04090    		 8 C12 H14 N2 O3 InChI=1S/C12H14N2O3/c1-7-
    9(13-2-3-13)12(17)8(6-15)
    10(11(7)16)14-4-5-14/h15H
    ,2-6H2,1H3;
    JKDLOGLNPDVUCX-UHFFFAOYSA-N    		 CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3; CC1
    =C(N2CC2)C(=O)C(=C(N3CC3)C1=O)CO; O=C1C(
    =C(C(=O)C(=C1N2CC2)C)N3CC3)CO    		 2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE
    34756
    RH2
    ZINC000263620638    		 2 C16 H22 N4 O S InChI=1S/C16H22N4OS/c17-8
    -2-1-5-14(16(18)21)20-11-
    13-6-7-15(22-13)12-4-3-9-
    19-10-12/h3-4,6-7,9-10,14
    ,20H,1-2,5,8,11,17H2,(H2,
    18,21)/t14-/m0/s1;
    KBSBPTGVGQZWKP-AWEZNQCLSA-N    		 c1cc(cnc1)c2ccc(s2)CNC(CCCCN)C(=O)N; NCC
    CC[C@H](NCc1sc(cc1)c2cccnc2)C(N)=O; c1cc
    (cnc1)c2ccc(s2)CN[C@@H](CCCCN)C(=O)N; NC
    CCC[CH](NCc1sc(cc1)c2cccnc2)C(N)=O; NC(C
    (NCc1sc(cc1)c2cccnc2)CCCCN)=O    		 N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide
    34757
    RH3    		 11 Rh InChI=1S/Rh/q+3;
    PZSJYEAHAINDJI-UHFFFAOYSA-N    		 [Rh+3] RHODIUM(III) ION
    34758
    RH4    		 1 C13 H13 N O3 InChI=1S/C13H13NO3/c1-16-
    13(15)12(9-11-3-2-8-17-11
    )10-4-6-14-7-5-10/h2-8,12
    H,9H2,1H3/t12-/m1/s1;
    DTRVWRJNHJVAQQ-GFCCVEGCSA-N    		 COC(=O)C(Cc1ccco1)c2ccncc2; COC(=O)[C@H]
    (Cc1ccco1)c2ccncc2; COC(=O)[CH](Cc1occc1
    )c2ccncc2; COC(=O)[C@H](Cc1occc1)c2ccncc
    2; c2(CC(c1ccncc1)C(OC)=O)ccco2    		 methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate
    34759
    RH5    		 3 C21 H20 B N3 O3 InChI=1S/C21H20BN3O3/c23-
    21(24)17-8-7-16(11-20(17)
    27-13-14-4-3-9-25-12-14)1
    9-10-15-5-1-2-6-18(15)22(
    26)28-19/h1-9,11-12,19,26
    H,10,13H2,(H3,23,24)/t19-
    /m1/s1;
    YENXZRUMZHNJKP-LJQANCHMSA-N    		 NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4
    B(O)O3; NC(=N)c1ccc(cc1OCc2cccnc2)[C@H]3
    Cc4ccccc4B(O)O3; [H]/N=C(/c1ccc(cc1OCc2c
    ccnc2)[C@H]3Cc4ccccc4B(O3)O)\N; B1(c2ccc
    cc2CC(O1)c3ccc(c(c3)OCc4cccnc4)C(=N)N)O    		 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
    34760
    RH6    		 5 C16 H19 N O2 InChI=1S/C16H19NO2/c1-4-7
    -13-10-12-8-9-14(17(5-2)6
    -3)11-15(12)19-16(13)18/h
    4,7-11H,5-6H2,1-3H3/b7-4+;
    YRIYSICZBXXPLJ-QPJJXVBHSA-N    		 CCN(CC)c1ccc2C=C(/C=C/C)C(=O)Oc2c1; CCN(
    CC)c1ccc2c(c1)OC(=O)C(=C2)/C=C/C; CCN(CC
    )c1ccc2C=C(C=CC)C(=O)Oc2c1; CCN(CC)c1ccc
    2C=C(\C=C\C)C(=O)Oc2c1; CCN(CC)c1ccc2c(c
    1)OC(=O)C(=C2)C=CC    		 (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form
    34761
    RH7    		 1 C13 H15 N3 O3 InChI=1S/C13H15N3O3/c1-18
    -12(17)16-6-8-4-10-11-9(1
    4-2-3-15-11)5-13(8,7-16)1
    9-10/h2-3,8,10H,4-7H2,1H3
    /t8-,10-,13+/m0/s1;
    CTKPJJRUGQCIDS-GMOODISLSA-N    		 COC(=O)N1CC2CC3c4c(nccn4)CC2(C1)O3; COC(
    =O)N1C[C@@H]2C[C@H]3c4c(nccn4)C[C@]2(C1)
    O3; COC(=O)N1C[CH]2C[CH]3O[C]2(C1)Cc4ncc
    nc34; COC(=O)N1C[C@@H]2C[C@@H]3O[C@@]2(C
    1)Cc4nccnc34; c41nccnc1C3CC2CN(C(OC)=O)C
    C2(O3)C4    		 methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate
    34762
    RH8    		 1 C21 H21 F N8 InChI=1S/C21H21FN8/c1-28-
    9-11-29(12-10-28)20-5-4-1
    5(13-17(20)22)26-21-23-8-
    6-18(27-21)16-14-25-30-19
    (16)3-2-7-24-30/h2-8,13-1
    4H,9-12H2,1H3,(H,23,26,27
    );
    YKOSORGDWOWAJE-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc4
    5)cc2F; CN1CCN(CC1)c2ccc(cc2F)Nc3nccc(n3
    )c4cnn5c4cccn5    		 ~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
    34763
    RH9    		 2 C78 H124 N4 O22 InChI=1S/C78H124N4O22/c1-
    51(33-35-61(87)53(3)63(95
    -13)31-25-37-81(9)49-83)6
    7(99-17)43-71-77(5,6)69(8
    9)45-73-79-59(47-101-73)6
    5(97-15)29-23-20-22-28-58
    (94-12)40-56(86)42-76(92)
    104-72(44-68(100-18)52(2)
    34-36-62(88)54(4)64(96-14
    )32-26-38-82(10)50-84)78(
    7,8)70(90)46-74-80-60(48-
    102-74)66(98-16)30-24-19-
    21-27-57(93-11)39-55(85)4
    1-75(91)103-71/h19-28,37-
    38,47-58,63-72,85-86,89-9
    0H,29-36,39-46H2,1-18H3/b
    23-20+,24-19+,27-21+,28-2
    2+,37-25+,38-26+/t51-,52-
    ,53-,54-,55-,56-,57-,58-,
    63+,64+,65-,66-,67-,68-,6
    9-,70-,71-,72-/m0/s1;
    MWDPPGCTEBRUNT-IKBNIWNCSA-N    		 CC(CCC(=O)C(C)C(CC=CN(C)C=O)OC)C(CC1C(C(
    Cc2nc(co2)C(CC=CC=CC(CC(CC(=O)OC(C(C(Cc3
    nc(co3)C(CC=CC=CC(CC(CC(=O)O1)O)OC)OC)O)
    (C)C)CC(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)
    OC)O)OC)OC)O)(C)C)OC; CO[C@@H]\1C[C@H](O
    )CC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CCC(=O
    )[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)C(C)(C)
    [C@@H](O)Cc2occ(n2)[C@H](C\C=C\C=C\[C@@H
    ](C[C@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@@H
    ](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)
    OC)C(C)(C)[C@@H](O)Cc3occ(n3)[C@H](C/C=C
    /C=C\1)OC)OC)OC; CO[CH]1C[CH](O)CC(=O)O[
    CH](C[CH](OC)[CH](C)CCC(=O)[CH](C)[CH](C
    C=CN(C)C=O)OC)C(C)(C)[CH](O)Cc2occ(n2)[C
    H](CC=CC=C[CH](C[CH](O)CC(=O)O[CH](C[CH]
    (OC)[CH](C)CCC(=O)[CH](C)[CH](CC=CN(C)C=
    O)OC)C(C)(C)[CH](O)Cc3occ(n3)[CH](CC=CC=
    C1)OC)OC)OC; C[C@@H](CCC(=O)[C@H](C)[C@@
    H](C\C=C\N(C)C=O)OC)[C@H](C[C@H]1C([C@H]
    (Cc2nc(co2)[C@H](C\C=C\C=C\[C@@H](C[C@@H
    ](CC(=O)O[C@H](C([C@H](Cc3nc(co3)[C@H](C
    \C=C\C=C\[C@@H](C[C@@H](CC(=O)O1)O)OC)OC
    )O)(C)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)
    [C@@H](C\C=C\N(C)C=O)OC)OC)O)OC)OC)O)(C)
    C)OC; O=C(C(C)C(OC)C\C=C\N(C=O)C)CCC(C)C
    (OC)CC3OC(=O)CC(O)CC(OC)C=CC=CCC(OC)c1nc
    (oc1)CC(O)C(C)(C)C(OC(=O)CC(O)CC(OC)C=CC
    =CCC(OC)c2nc(oc2)CC(O)C3(C)C)CC(OC)C(C)C
    CC(=O)C(C)C(OC)C\C=C\N(C=O)C    		 RHIZOPODIN
    34764
    RHA
    ZINC000038377753    		 0 C6 H13 O8 P InChI=1S/C6H13O8P/c1-2-3(
    7)4(8)5(9)6(13-2)14-15(10
    ,11)12/h2-9H,1H3,(H2,10,1
    1,12)/t2-,3-,4+,5+,6-/m0/
    s1;
    PTVXQARCLQPGIR-YJRYQGEOSA-N    		 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=
    O)(O)O)O)O)O; C[CH]1O[CH](O[P](O)(O)=O)[
    CH](O)[CH](O)[CH]1O; O=P(OC1OC(C(O)C(O)C
    1O)C)(O)O; CC1C(C(C(C(O1)OP(=O)(O)O)O)O)
    O; C[C@@H]1O[C@@H](O[P](O)(O)=O)[C@H](O)
    [C@H](O)[C@H]1O    		 6-deoxy-1-O-phosphono-alpha-L-rhamnopyranose;
    6-DEOXY-MANNOSE-1'-PHOSPHATE;
    6-deoxy-1-O-phosphono-alpha-L-mannopyranose;
    6-deoxy-1-O-phosphono-alpha-L-rhamnose;
    6-deoxy-1-O-phosphono-L-rhamnose;
    6-deoxy-1-O-phosphono-rhamnose
    34765
    RHB
    CHEMBL1185708
    ZINC000003860707    		 2 C28 H31 N2 O3 InChI=1S/C28H30N2O3/c1-5-
    29(6-2)19-13-15-23-25(17-
    19)33-26-18-20(30(7-3)8-4
    )14-16-24(26)27(23)21-11-
    9-10-12-22(21)28(31)32/h9
    -18H,5-8H2,1-4H3/p+1;
    CVAVMIODJQHEEH-UHFFFAOYSA-O    		 CCN(CC)c1ccc2c(OC3=CC(C=CC3=C2c4ccccc4C(
    O)=O)=[N+](CC)CC)c1; CCN(CC)c1ccc2c(c1)O
    C3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O
    ; O=C(O)c4ccccc4C=1c3c(OC=2C=1C=C/C(=[N+
    ](/CC)CC)C=2)cc(cc3)N(CC)CC    		 N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium
    34766
    RHC
    DB02321
    ZINC000004096144    		 1 C9 H17 N O6 S InChI=1S/C9H17NO6S/c10-4(
    8(13)14)1-2-17-3-5-6(11)7
    (12)9(15)16-5/h4-7,9,11-1
    2,15H,1-3,10H2,(H,13,14)/
    t4-,5+,6+,7+,9+/m0/s1;
    IQFWYNFDWRYSRA-OEQWSMLSSA-N    		 N[CH](CCSC[CH]1O[CH](O)[CH](O)[CH]1O)C(O
    )=O; C(CSCC1C(C(C(O1)O)O)O)C(C(=O)O)N; C
    (CSC[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)[
    C@@H](C(=O)O)N; O=C(O)C(N)CCSCC1OC(O)C(O
    )C1O; N[C@@H](CCSC[C@H]1O[C@@H](O)[C@H](
    O)[C@@H]1O)C(O)=O    		 (2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid;
    5-(3-AMINO-4,4-DIHYROXY-BUTYLSULFANYLMETHYL)-TETRAHYDRO-FURAN-2,3,4-TRIOL
    34767
    RHD    		 0 H18 N6 Rh InChI=1S/6H3N.Rh/h6*1H3;/
    q;;;;;;+3;
    JGYYKTIOJIEIKU-UHFFFAOYSA-N    		 [NH3][Rh+3]([NH3])([NH3])([NH3])([NH3])[
    NH3]; N.N.N.N.N.N.[Rh+3]    		 RHODIUM HEXAMINE ION
    34768
    RHE    		 15 Cl6 Re InChI=1S/6ClH.Re/h6*1H;/q
    ;;;;;;+6/p-6;
    GSGIQJBJGSKCDZ-UHFFFAOYSA-H    		 Cl[Re](Cl)(Cl)(Cl)(Cl)Cl rhenium (IV) hexachloride;
    hexachlororhenate ion
    34769
    RHF    		 0 Rh InChI=1S/Rh/q+2;
    YNWSXIWHOSSPCO-UHFFFAOYSA-N    		 [Rh++]; [Rh+2] RHODIUM(II) ION
    34770
    RHG    		 3 C10 H15 F3 N2 O3 S InChI=1S/C10H15F3N2O3S/c1
    1-10(12,13)19(16,17)15-4-
    7-3-8-1-2-14-5-9(7,6-15)1
    8-8/h7-8,14H,1-6H2/t7-,8+
    ,9+/m0/s1;
    SDCYRSFOCAJCPQ-DJLDLDEBSA-N    		 FC(F)(F)[S](=O)(=O)N1C[CH]2C[CH]3CCNC[C]
    2(C1)O3; C1CNC[C@@]23CN(C[C@@H]2C[C@@H]1
    O3)S(=O)(=O)C(F)(F)F; FC(F)(F)[S](=O)(=O
    )N1C[C@@H]2C[C@H]3CCNC[C@]2(C1)O3; C2NCC
    13C(CN(C1)S(C(F)(F)F)(=O)=O)CC(C2)O3; C1
    CNCC23CN(CC2CC1O3)S(=O)(=O)C(F)(F)F    		 (3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine
    34771
    RHH
    CHEMBL5077422    		 2 C19 H19 N7 O InChI=1S/C19H19N7O/c1-12-
    23-15-6-5-14(13-10-16(20)
    25-17(21)11-13)24-19(15)2
    6(12)8-9-27-18-4-2-3-7-22
    -18/h2-7,10-11H,8-9H2,1H3
    ,(H4,20,21,25);
    QXPJTIYARGTANC-UHFFFAOYSA-N    		 Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(nc(c4)N)
    N; Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(N)nc(
    N)c4    		 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
    34772
    RHI    		 2 C23 H23 Cl N4 O4 S InChI=1S/C23H23ClN4O4S/c1
    -25-22(29)13-28-11-14-3-4
    -16(24)8-19(14)20(12-28)2
    3(30)27-21-10-26-9-15-7-1
    7(33(2,31)32)5-6-18(15)21
    /h3-10,20H,11-13H2,1-2H3,
    (H,25,29)(H,27,30)/t20-/m
    1/s1;
    MZECSNVKOADBBO-HXUWFJFHSA-N    		 CNC(=O)CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3
    ccc(c4)S(=O)(=O)C)Cl; CS(=O)(=O)c1ccc2c(
    c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)
    NC; CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc(cc
    c23)[S](C)(=O)=O)c4cc(Cl)ccc4C1; CNC(=O)
    CN1C[CH](C(=O)Nc2cncc3cc(ccc23)[S](C)(=O
    )=O)c4cc(Cl)ccc4C1; CNC(=O)CN1Cc2ccc(cc2
    [C@@H](C1)C(=O)Nc3cncc4c3ccc(c4)S(=O)(=O
    )C)Cl    		 (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    34773
    RHJ    		 1 C14 H21 N O4 InChI=1S/C14H21NO4/c16-11
    -5-10-4-9-6-15(13(18)8-2-
    1-3-8)7-14(9,19-10)12(11)
    17/h8-12,16-17H,1-7H2/t9-
    ,10-,11?,12?,14+/m0/s1;
    BYVLFJJVWOHEND-JCCXBDGPSA-N    		 C1CC(C1)C(=O)N2CC3CC4CC(C(C3(C2)O4)O)O;
    O[C@@H]1C[C@@H]2C[C@H]3CN(C[C@]3(O2)[C@@
    H]1O)C(=O)C4CCC4; O[CH]1C[CH]2C[CH]3CN(C
    [C]3(O2)[CH]1O)C(=O)C4CCC4; O=C(N1CC2CC3
    CC(O)C(O)C2(C1)O3)C1CCC1; C1CC(C1)C(=O)N
    2C[C@@H]3C[C@H]4CC(C([C@]3(C2)O4)O)O    		 cyclobutyl[(3aS,4R,5R,7S,8aS)-4,5-dihydroxyhexahydro-1H-3a,7-epoxycyclohepta[c]pyrrol-2(3H)-yl]methanone
    34774
    RHL    		 1 C22 H31 N3 O Rh InChI=1S/C22H31N3O.Rh/c1-
    2-3-4-5-6-7-8-9-10-17-22(
    26)25(20-15-11-13-18-23-2
    0)21-16-12-14-19-24-21;/h
    11-16,18-19H,2-10,17H2,1H
    3;;
    ZXPSHQNTCOAEBQ-UHFFFAOYSA-N    		 CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]
    3=CC=CC=C31; O=C(N1c3n([Rh]n2c1cccc2)ccc
    c3)CCCCCCCCCCC; [Rh]|1|n2ccccc2N(C(=O)CC
    CCCCCCCCC)c3ccccn|13    		 [N,N-di(pyridin-2-yl-kappaN)dodecanamide]rhodium
    34775
    RHM    		 0 C22 H27 N6 Rh InChI=1S/C14H8N2.C8H19N4.
    Rh/c15-13-11-7-3-1-5-9(11
    )10-6-2-4-8-12(10)14(13)1
    6;1-7(9)5-11-3-4-12-6-8(2
    )10;/h1-8H;7-11H,3-6H2,1-
    2H3;/q-2;-3;+7/t;7-,8-;/m
    .1./s1;
    QQQIEFXIPDSOEX-IEPZTSNKSA-N    		 C[C@@H]1CNCCN2C[C@@H](C)N[Rh++]23(N1)N=C
    4c5ccccc5c6ccccc6C4=N3; C[C@@H]1CNCC[N@@
    ]2C[C@H](N[Rh+2]23(N1)N=C4c5ccccc5-c6ccc
    cc6C4=N3)C; CC1CNCCN2CC(N[Rh+2]23(N1)N=C
    4c5ccccc5-c6ccccc6C4=N3)C; N3=C6c1ccccc1
    c2ccccc2C6=N[Rh+2]345NC(C)CNCCN5CC(N4)C;
    C[CH]1CNCCN2C[CH](C)N[Rh++]23(N1)N=C4c5
    ccccc5c6ccccc6C4=N3    		 DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIAZADECANE]9,10-PHENANTHRENEQUINONE DIIMINE;
    RH(ME2TRIEN)PHI
    34776
    RHN
    CHEMBL418068
    DB13174
    ZINC000004098704    		 4 C15 H8 O6 InChI=1S/C15H8O6/c16-9-3-
    1-2-7-11(9)14(19)12-8(13(
    7)18)4-6(15(20)21)5-10(12
    )17/h1-5,16-17H,(H,20,21);
    FCDLCPWAQCPTKC-UHFFFAOYSA-N    		 O=C(O)c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3
    ; OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2
    c1; c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)
    O)C2=O    		 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid;
    Rhein;
    Rhubarb Yellow
    34777
    RHO
    DB03903    		 2 C28 H25 N3 O5 InChI=1S/C28H25N3O5/c1-29
    (2)16-5-9-20-23(14-16)36-
    24-15-17(30(3)4)6-10-21(2
    4)27(20)19-8-7-18(13-22(1
    9)28(34)35)31-25(32)11-12
    -26(31)33/h5-9,11-15H,10H
    2,1-4H3,(H,34,35);
    KGFLZYXDJDOIEE-UHFFFAOYSA-N    		 CN(C)C1=CCC2=C(c3ccc(cc3OC2=C1)N(C)C)c4c
    cc(cc4C(O)=O)N5C(=O)C=CC5=O; CN(C)c1ccc2
    c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C(
    =O)C=CC5=O)N(C)C; O=C1C=CC(=O)N1c5ccc(C=
    2c4c(OC=3C=2CC=C(N(C)C)C=3)cc(cc4)N(C)C)
    c(C(=O)O)c5    		 TETRAMETHYLRHODAMINE-5-MALEIMIDE;
    TMR
    34778
    RHP
    CHEMBL371428
    DB04307    		 2 C12 H13 N O InChI=1S/C12H13NO/c1-2-7-
    13-12-6-4-9-3-5-10(14)8-1
    1(9)12/h1,3,5,8,12-14H,4,
    6-7H2/t12-/m1/s1;
    NRSDGDXUWMMUEV-GFCCVEGCSA-N    		 Oc1ccc2CC[CH](NCC#C)c2c1; C#CCNC1CCc2c1c
    c(cc2)O; Oc1ccc2CC[C@@H](NCC#C)c2c1; C#C
    CN[C@@H]1CCc2c1cc(cc2)O; Oc1ccc2c(c1)C(N
    CC#C)CC2    		 (3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL;
    5-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN
    34779
    RHQ    		 18 C28 H31 N2 O3 InChI=1S/C28H30N2O3/c1-6-
    29-23-15-25-21(13-17(23)4
    )27(19-11-9-10-12-20(19)2
    8(31)32-8-3)22-14-18(5)24
    (30-7-2)16-26(22)33-25/h9
    -16,29H,6-8H2,1-5H3/p+1/b
    30-24-;
    IWWWBRIIGAXLCJ-KRUMMXJUSA-O    		 CCNc1cc2c(cc1C)C(=C3C=C(C(=[NH+]CC)C=C3O
    2)C)c4ccccc4C(=O)OCC; CCNc1cc2OC3=CC(=[N
    H+]CC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C
    ; O=C(OCC)c4ccccc4C=1c3c(OC=2C=1C=C(\C(=
    [NH+]/CC)C=2)C)cc(c(c3)C)NCC; CCNc1cc2c(
    cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4c
    cccc4C(=O)OCC    		 RHODAMINE 6G
    34780
    RHR    		 75 C52 H107 O6 P InChI=1S/C52H107O6P/c1-42
    (2)21-13-23-44(5)25-15-27
    -46(7)29-17-31-48(9)33-19
    -35-50(11)37-38-56-40-52(
    41-58-59(53,54)55)57-39-5
    1(12)36-20-34-49(10)32-18
    -30-47(8)28-16-26-45(6)24
    -14-22-43(3)4/h42-52H,13-
    41H2,1-12H3,(H2,53,54,55)
    /t44-,45+,46-,47-,48-,49-
    ,50+,51+,52-/m0/s1;
    LOOIOWMHQRRBDQ-UYUJORPFSA-N    		 CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(C
    OP(=O)(O)O)OCC(C)CCCC(C)CCCC(C)CCCC(C)CC
    CC(C)C; C[C@H](CCC[C@H](C)CCC[C@@H](C)CC
    OC[C@@H](COP(=O)(O)O)OC[C@H](C)CCC[C@@H]
    (C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CCC[C
    @@H](C)CCCC(C)C; CC(C)CCCC(C)CCCC(C)CCCC
    (C)CCCC(C)CCOCC(OCC(C)CCCC(C)CCCC(C)CCCC
    (C)CCCC(C)C)COP(O)(=O)O; CC(C)CCC[CH](C)
    CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](C
    O[P](O)(O)=O)OC[CH](C)CCC[CH](C)CCC[CH](
    C)CCC[CH](C)CCCC(C)C; CC(C)CCC[C@H](C)CC
    C[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCOC[C@@
    H](CO[P](O)(O)=O)OC[C@H](C)CCC[C@@H](C)C
    CC[C@@H](C)CCC[C@H](C)CCCC(C)C    		 (2S)-3-{[(3R,7S,11S,15S)-3,7,11,15,19-pentamethylicosyl]oxy}-2-{[(2R,6S,10S,14R)-2,6,10,14,18-pentamethylnonadecyl]oxy}propyl dihydrogen phosphate
    34781
    RHS
    DB08474
    ZINC000006591680    		 0 C13 H26 N2 O2 InChI=1S/C13H26N2O2/c1-6-
    9(7-2)15-11(16)8-10(12(14
    )17)13(3,4)5/h9-10H,6-8H2
    ,1-5H3,(H2,14,17)(H,15,16
    )/t10-/m0/s1;
    UVHRROJQACYJNP-JTQLQIEISA-N    		 CCC(CC)NC(=O)C[CH](C(N)=O)C(C)(C)C; O=C(
    NC(CC)CC)CC(C(=O)N)C(C)(C)C; CCC(CC)NC(=
    O)CC(C(=O)N)C(C)(C)C; CCC(CC)NC(=O)C[C@@
    H](C(=O)N)C(C)(C)C; CCC(CC)NC(=O)C[C@@H]
    (C(N)=O)C(C)(C)C    		 3-(CARBOXYAMIDE(2-CARBOXYAMIDE-2-TERTBUTYLETHYL))PENTAN
    34782
    RHT
    CHEMBL5083489    		 1 C13 H13 N5 InChI=1S/C13H13N5/c1-18-7
    -16-10-3-2-8(4-11(10)18)9
    -5-12(14)17-13(15)6-9/h2-
    7H,1H3,(H4,14,15,17);
    SOLATORCLYYKKR-UHFFFAOYSA-N    		 Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N; Cn1cnc2c
    cc(cc12)c3cc(N)nc(N)c3    		 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine
    34783
    RHU
    CHEMBL1778133
    ZINC000006072296    		 3 C4 H4 F3 N3 S InChI=1S/C4H4F3N3S/c1-10-
    2(4(5,6)7)8-9-3(10)11/h1H
    3,(H,9,11);
    HUZASKHMPBJXJP-UHFFFAOYSA-N    		 Cn1c(nnc1S)C(F)(F)F; Cn1c(S)nnc1C(F)(F)F 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol
    34784
    RHV    		 1 C13 H18 N2 O3 InChI=1S/C13H18N2O3/c1-4-
    18-12(16)8-15-13(17)10(3)
    11-7-9(2)5-6-14-11/h5-7,1
    0H,4,8H2,1-3H3,(H,15,17)/
    t10-/m1/s1;
    KSDRXGUQEISVKG-SNVBAGLBSA-N    		 CCOC(=O)CNC(=O)[CH](C)c1cc(C)ccn1; CCOC(
    =O)CNC(=O)C(C)c1cc(ccn1)C; C(C(NCC(OCC)=
    O)=O)(C)c1cc(C)ccn1; CCOC(=O)CNC(=O)[C@H
    ](C)c1cc(ccn1)C; CCOC(=O)CNC(=O)[C@H](C)
    c1cc(C)ccn1    		 ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate
    34785
    RHW
    CHEMBL5092362    		 1 C13 H11 N3 O InChI=1S/C13H11N3O/c14-12
    -6-10(7-13(15)16-12)8-1-2
    -11-9(5-8)3-4-17-11/h1-7H
    ,(H4,14,15,16);
    GMWUNXLQEKAPBL-UHFFFAOYSA-N    		 Nc1cc(cc(N)n1)c2ccc3occc3c2; c1cc2c(cco2
    )cc1c3cc(nc(c3)N)N    		 4-(1-benzofuran-5-yl)pyridine-2,6-diamine
    34786
    RHX    		 1 C24 H19 N2 O2 Rh InChI=1S/C24H19N2O2.Rh/c1
    -3-8-17(9-4-1)21-15-27-23
    (25-21)19-12-7-13-20(14-1
    9)24-26-22(16-28-24)18-10
    -5-2-6-11-18;/h1-13,21-22
    H,15-16H2;/t21-,22-;/m1./
    s1;
    FCXWDODCDHPSDA-HLUKFBSCSA-N    		 c1ccc(cc1)[C@H]2COC3=[N]2[Rh]4c5c3cccc5C
    6=[N]4[C@H](CO6)c7ccccc7; c1ccc(cc1)C2CO
    C3=[N]2[Rh]4c5c3cccc5C6=[N]4C(CO6)c7cccc
    c7; [Rh]c1c(cccc1C2=N[C@H](CO2)c3ccccc3)
    C4=N[C@H](CO4)c5ccccc5; [Rh]c1c(cccc1C2=
    N[CH](CO2)c3ccccc3)C4=N[CH](CO4)c5ccccc5    		 [2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL]RHODIUM(III);
    [2,6-BIS(4-PHENYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL-KAPPAN)PHENYL-KAPPAC~1~]RHODIUM(3+)
    34787
    RHY    		 1 C12 H15 N3 O2 InChI=1S/C12H15N3O2/c1-7(
    16)15-4-8-2-10-11-9(13-6-
    14-11)3-12(8,5-15)17-10/h
    6,8,10H,2-5H2,1H3,(H,13,1
    4)/t8-,10-,12+/m0/s1;
    FORSPVAMISDLIE-PTOFAABTSA-N    		 CC(=O)N1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]cnc3
    4; C321Cc4c(C(CC1CN(C2)C(C)=O)O3)ncn4; C
    C(=O)N1CC2CC3c4c([nH]cn4)CC2(C1)O3; CC(=
    O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1
    )O3; CC(=O)N1C[C@@H]2C[C@@H]3O[C@@]2(C1)
    Cc4[nH]cnc34    		 1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one
    34788
    RHZ
    CHEMBL5078346    		 1 C12 H11 Cl N2 O InChI=1S/C12H11ClN2O/c1-1
    6-11-6-8(2-3-10(11)13)9-4
    -5-15-12(14)7-9/h2-7H,1H3
    ,(H2,14,15);
    XNQXYTWAWZWTHH-UHFFFAOYSA-N    		 COc1cc(ccc1Cl)c2ccnc(c2)N; COc1cc(ccc1Cl
    )c2ccnc(N)c2    		 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine
    34789
    RI1    		 2 C18 H14 Cl N3 O3 S InChI=1S/C18H14ClN3O3S/c1
    9-12-5-6-17-14(7-12)15(9-
    21-26(17,24)25)18(23)22-1
    6-10-20-8-11-3-1-2-4-13(1
    1)16/h1-8,10,15,21H,9H2,(
    H,22,23)/t15-/m1/s1;
    DEOCOIVMHQCEOX-OAHLLOKOSA-N    		 c1ccc2c(c1)cncc2NC(=O)[C@@H]3CNS(=O)(=O)
    c4c3cc(cc4)Cl; c1ccc2c(c1)cncc2NC(=O)C3C
    NS(=O)(=O)c4c3cc(cc4)Cl; Clc1ccc2c(c1)C(
    CNS2(=O)=O)C(=O)Nc1cncc2ccccc21; Clc1ccc
    2c(c1)[CH](CN[S]2(=O)=O)C(=O)Nc3cncc4ccc
    cc34; Clc1ccc2c(c1)[C@@H](CN[S]2(=O)=O)C
    (=O)Nc3cncc4ccccc34    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
    34790
    RI2
    ZINC000013522068    		 29 C5 H12 O11 P2 InChI=1S/C5H12O11P2/c6-3-
    2(1-14-17(8,9)10)15-5(4(3
    )7)16-18(11,12)13/h2-7H,1
    H2,(H2,8,9,10)(H2,11,12,1
    3)/t2-,3-,4-,5-/m1/s1;
    AAAFZMYJJHWUPN-TXICZTDVSA-N    		 C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O
    )O)O)OP(=O)(O)O; O[CH]1[CH](O)[CH](O[CH]
    1CO[P](O)(O)=O)O[P](O)(O)=O; O=P(O)(O)OC
    C1OC(OP(=O)(O)O)C(O)C1O; C(C1C(C(C(O1)OP
    (=O)(O)O)O)O)OP(=O)(O)O; O[C@H]1[C@@H](O
    )[C@H](O[C@@H]1CO[P](O)(O)=O)O[P](O)(O)=
    O    		 1,5-di-O-phosphono-alpha-D-ribofuranose;
    1,5-di-O-phosphono-alpha-D-ribose;
    1,5-di-O-phosphono-D-ribose;
    1,5-di-O-phosphono-ribose
    34791
    RI3    		 1 C18 H16 F2 N4 O2 InChI=1S/C18H16F2N4O2/c19
    -10-3-4-11-13(5-10)23-15-
    14(11)16(22-8-21-15)24-6-
    12(9-1-2-9)18(20,7-24)17(
    25)26/h3-5,8-9,12H,1-2,6-
    7H2,(H,25,26)(H,21,22,23)
    /t12-,18-/m0/s1;
    NYJHYZIQBWNOCJ-SGTLLEGYSA-N    		 OC(=O)[C@]1(F)CN(C[C@H]1C2CC2)c3ncnc4[nH
    ]c5cc(F)ccc5c34; c1cc2c(cc1F)[nH]c3c2c(n
    cn3)N4CC(C(C4)(C(=O)O)F)C5CC5; OC(=O)[C]
    1(F)CN(C[CH]1C2CC2)c3ncnc4[nH]c5cc(F)ccc
    5c34; c1cc2c(cc1F)[nH]c3c2c(ncn3)N4C[C@H
    ]([C@@](C4)(C(=O)O)F)C5CC5; O=C(O)C1(F)C
    N(CC1C1CC1)c1ncnc2[NH]c3cc(F)ccc3c12    		 (3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid
    34792
    RI4    		 1 C21 H23 N5 O InChI=1S/C21H23N5O/c1-3-8
    -14(9-4-1)18-15-10-5-2-6-
    11-16(15)22-20(17-12-7-13
    -27-17)19(18)21-23-25-26-
    24-21/h1,3-4,8-9,17H,2,5-
    7,10-13H2,(H,23,24,25,26)
    /t17-/m1/s1;
    SKRDIGRVKJJTFE-QGZVFWFLSA-N    		 C1CCc2nc([C@H]3CCCO3)c(c4[nH]nnn4)c(c2CC
    1)c5ccccc5; c1ccc(cc1)c2c3c(nc(c2c4[nH]n
    nn4)C5CCCO5)CCCCC3; C1CCc2nc([CH]3CCCO3)
    c(c4[nH]nnn4)c(c2CC1)c5ccccc5; C1CCCCc2c
    1nc(C1CCCO1)c(c1nnn[NH]1)c2c1ccccc1; c1c
    cc(cc1)c2c3c(nc(c2c4[nH]nnn4)[C@H]5CCCO5
    )CCCCC3    		 (3P)-2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
    34793
    RI5
    CHEMBL47244
    ZINC000004098166    		 20 C15 H16 O6 InChI=1S/C15H16O6/c1-5(2)
    7-8-11(16)19-9(7)10-13(3)
    14(8,18)4-6-15(13,21-6)12
    (17)20-10/h6-10,18H,1,4H2
    ,2-3H3/t6-,7+,8-,9-,10-,1
    3-,14-,15+/m1/s1;
    PIMZUZSSNYHVCU-YKWPQBAZSA-N    		 CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)
    C[C@H]4O[C@]45C(=O)O[C@H]2[C@]35C; O=C3O
    C4C1OC(=O)C25OC5CC(O)(C12C)C3C4C(=C)/C;
    CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([
    C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O
    )C; CC(=C)[CH]1[CH]2OC(=O)[CH]1[C]3(O)C[
    CH]4O[C]45C(=O)O[CH]2[C]35C; CC(=C)C1C2C
    3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C    		 (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione;
    PICROTOXIN
    34794
    RI6    		 1 C22 H20 Cl2 N4 O2 InChI=1S/C22H20Cl2N4O2/c1
    -25-21(29)12-28-10-13-2-3
    -16(24)7-18(13)19(11-28)2
    2(30)27-20-9-26-8-14-6-15
    (23)4-5-17(14)20/h2-9,19H
    ,10-12H2,1H3,(H,25,29)(H,
    27,30)/t19-/m1/s1;
    LLZCKRVJSZRHHK-LJQANCHMSA-N    		 CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc(Cl)ccc
    23)c4cc(Cl)ccc4C1; CNC(=O)CN1Cc2ccc(cc2C
    (C1)C(=O)Nc3cncc4c3ccc(c4)Cl)Cl; CNC(=O)
    CN1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cc
    c(c4)Cl)Cl; CNC(=O)CN1C[CH](C(=O)Nc2cncc
    3cc(Cl)ccc23)c4cc(Cl)ccc4C1; Clc1ccc2c(c
    1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)N
    C    		 (4S)-6-chloro-N-(7-chloroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    34795
    RI7    		 1 C17 H17 F N4 O3 InChI=1S/C17H17FN4O3/c1-2
    4-14(23)7-11-8-22(4-5-25-
    11)17-15-12-3-2-10(18)6-1
    3(12)21-16(15)19-9-20-17/
    h2-3,6,9,11H,4-5,7-8H2,1H
    3,(H,19,20,21)/t11-/m0/s1;
    MJWKGJBWQCLDGE-NSHDSACASA-N    		 O=C(OC)CC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3
    c12; COC(=O)CC1CN(CCO1)c2c3c4ccc(cc4[nH]
    c3ncn2)F; COC(=O)C[C@H]1CN(CCO1)c2c3c4cc
    c(cc4[nH]c3ncn2)F; COC(=O)C[C@H]1CN(CCO1
    )c2ncnc3[nH]c4cc(F)ccc4c23; COC(=O)C[CH]
    1CN(CCO1)c2ncnc3[nH]c4cc(F)ccc4c23    		 methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate
    34796
    RI8
    CHEMBL2047876
    ZINC000084669114    		 2 C16 H15 F2 N5 O3 S2 InChI=1S/C16H15F2N5O3S2/c
    1-2-5-28(25,26)23-10-4-3-
    9(17)13(11(10)18)22-16(24
    )8-6-27-14-12(8)20-7-21-1
    5(14)19/h3-4,6-7,23H,2,5H
    2,1H3,(H,22,24)(H2,19,20,
    21);
    WWRQXSNKYPVJOU-UHFFFAOYSA-N    		 O=S(=O)(Nc1ccc(F)c(c1F)NC(=O)c2c3ncnc(c3
    sc2)N)CCC; CCC[S](=O)(=O)Nc1ccc(F)c(NC(=
    O)c2csc3c(N)ncnc23)c1F; CCCS(=O)(=O)Nc1c
    cc(c(c1F)NC(=O)c2csc3c2ncnc3N)F    		 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide
    34797
    RI9
    CHEMBL2047869
    ZINC000084668842    		 2 C16 H20 F2 N6 O4 S InChI=1S/C16H20F2N6O4S/c1
    -2-7-29(27,28)24-11-4-3-1
    0(17)15(14(11)18)23-16(26
    )22-13-8-12(19-5-6-25)20-
    9-21-13/h3-4,8-9,24-25H,2
    ,5-7H2,1H3,(H3,19,20,21,2
    2,23,26);
    RFXIGXFNQUUTSZ-UHFFFAOYSA-N    		 O=C(Nc1ncnc(c1)NCCO)Nc2c(F)ccc(NS(=O)(=O
    )CCC)c2F; CCC[S](=O)(=O)Nc1ccc(F)c(NC(=O
    )Nc2cc(NCCO)ncn2)c1F; CCCS(=O)(=O)Nc1ccc
    (c(c1F)NC(=O)Nc2cc(ncn2)NCCO)F    		 N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide
    34798
    RIA
    ZINC000058660780    		 0 C15 H23 N5 O14 P2 InChI=1S/C15H23N5O14P2/c1
    6-12-7-13(18-3-17-12)20(4
    -19-7)14-11(9(22)6(32-14)
    2-31-36(27,28)29)34-15-10
    (23)8(21)5(33-15)1-30-35(
    24,25)26/h3-6,8-11,14-15,
    21-23H,1-2H2,(H2,16,17,18
    )(H2,24,25,26)(H2,27,28,2
    9)/t5-,6-,8-,9-,10-,11-,1
    4-,15+/m1/s1;
    BHIWBSNWEZIHHL-ZQSHOCFMSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O
    )[CH](O)[CH]3O[CH]4O[CH](CO[P](O)(O)=O)[
    CH](O)[CH]4O; Nc1ncnc2n(cnc12)[C@@H]3O[C
    @H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O[C@@H]
    4O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]4O;
    c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    )O)OC4C(C(C(O4)COP(=O)(O)O)O)O)N; c1nc(c
    2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3
    )COP(=O)(O)O)O)O[C@H]4[C@@H]([C@@H]([C@H
    ](O4)COP(=O)(O)O)O)O)N; O=P(O)(O)OCC4OC(
    n1c2ncnc(N)c2nc1)C(OC3OC(C(O)C3O)COP(=O)
    (O)O)C4O    		 2'-O-[(5'-PHOSPHO)RIBOSYL]ADENOSINE-5'-MONOPHOSPHATE
    34799
    RIB
    CHEMBL606078
    ZINC000003860714    		 76 C5 H10 O5 InChI=1S/C5H10O5/c6-1-2-3
    (7)4(8)5(9)10-2/h2-9H,1H2
    /t2-,3-,4-,5+/m1/s1;
    HMFHBZSHGGEWLO-AIHAYLRMSA-N    		 C(C1C(C(C(O1)O)O)O)O; OC[CH]1O[CH](O)[CH
    ](O)[CH]1O; OC[C@H]1O[C@H](O)[C@H](O)[C@
    @H]1O; C([C@@H]1[C@H]([C@H]([C@H](O1)O)O
    )O)O; OC1C(OC(O)C1O)CO    		 alpha-D-ribofuranose;
    alpha-D-ribose;
    D-ribose;
    ribose
    34800
    RIC    		 0 C14 H19 N2 O7 P InChI=1/C14H19N2O7P/c1-7-
    3-9-10(4-8(7)2)16(6-15-9)
    14-13(18)12(17)11(23-14)5
    -22-24(19,20)21/h3-4,6,11
    -14,17-18H,5H2,1-2H3,(H2,
    19,20,21)/t11-,12-,13-,14
    +/m1/s1/f/h19-20H;
    ZMRGXEJKZPRBPJ-SZZIEQPWDN    		 Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H](
    [C@H](O3)COP(=O)(O)O)O)O; O=P(O)(O)OCC3O
    C(n2cnc1cc(c(cc12)C)C)C(O)C3O; Cc1cc2c(c
    c1C)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O; Cc
    1cc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)
    [CH]3O)c2cc1C; Cc1cc2ncn([C@H]3O[C@H](CO
    [P](O)(O)=O)[C@@H](O)[C@H]3O)c2cc1C    		 PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2YLMETHYL] ESTER
    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).

    • yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218