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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    35801 RMA
    CHEMBL436947
    DB02211
    ZINC000053275068    		 2 C13 H15 N InChI=1S/C13H15N/c1-3-10-
    14(2)13-9-8-11-6-4-5-7-12
    (11)13/h1,4-7,13H,8-10H2,
    2H3/t13-/m1/s1;
    CSVGVHNFFZWQJU-CYBMUJFWSA-N    		 CN(CC#C)C1CCc2c1cccc2; CN(CC#C)[C@@H]1CC
    c2c1cccc2; CN(CC#C)[CH]1CCc2ccccc12; CN(
    CC#C)[C@@H]1CCc2ccccc12; C#CCN(C)C2c1ccc
    cc1CC2    		 N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE;
    N-METHYL-N-PROPARGYL-1(R)-AMINOINDAN
    35802 RMB
    DB02819
    ZINC000005892588    		 1 C13 H17 N2 O7 P InChI=1S/C13H17N2O7P/c1-7
    -2-3-9-8(4-7)14-6-15(9)13
    -12(17)11(16)10(22-13)5-2
    1-23(18,19)20/h2-4,6,10-1
    3,16-17H,5H2,1H3,(H2,18,1
    9,20)/t10-,11-,12-,13+/m1
    /s1;
    HGUDFQQPANTQEU-LPWJVIDDSA-N    		 Cc1ccc2n(cnc2c1)[C@H]3O[C@H](CO[P](O)(O)
    =O)[C@@H](O)[C@H]3O; O=P(O)(O)OCC3OC(n2c
    nc1cc(ccc12)C)C(O)C3O; Cc1ccc2n(cnc2c1)[
    CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O; C
    c1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H
    ](O3)COP(=O)(O)O)O)O; Cc1ccc2c(c1)ncn2C3
    C(C(C(O3)COP(=O)(O)O)O)O    		 N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHYLBENZIMIDAZOLE;
    MONO-[3,4-DIHYDROXY-5-(5-METHYL-BENZOIMIDAZOL-1-YL)-TETRAHYDOR-FURAN-2-YLMETHYL] ESTER
    35803 RMC
    CHEMBL1235702
    DB04776
    ZINC000012504508    		 1 C20 H28 N6 O InChI=1S/C20H28N6O/c1-5-1
    6(12-27)22-20-23-18(25(4)
    11-15-9-7-6-8-10-15)17-19
    (24-20)26(13-21-17)14(2)3
    /h6-10,13-14,16,27H,5,11-
    12H2,1-4H3,(H,22,23,24)/t
    16-/m1/s1;
    YPYWONAECUVKHY-MRXNPFEDSA-N    		 CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c3ncn(C(C
    )C)c3n1; CCC(CO)Nc1nc2c(c(n1)N(C)Cc3cccc
    c3)ncn2C(C)C; CC[CH](CO)Nc1nc(N(C)Cc2ccc
    cc2)c3ncn(C(C)C)c3n1; n2c1c(ncn1C(C)C)c(
    nc2NC(CC)CO)N(Cc3ccccc3)C; CC[C@H](CO)Nc
    1nc2c(c(n1)[N@@](C)Cc3ccccc3)ncn2C(C)C    		 (2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL;
    N6-METHYL-(R)-ROSCOVITINE;
    R-2-[6-(BENZYL-METHYL-AMINO)-9-ISOPROPYL-9H-PURIN-2-YLAMINO]-BUTAN-1-OL
    35804 RMD 2 C19 H24 N O2 Rh InChI=1S/C11H12NO2.C8H12.
    Rh/c13-10-5-6-11(14)12(10
    )8-7-9-3-1-2-4-9;1-2-4-6-
    8-7-5-3-1;/h1-4H,5-8H2;1-
    2,7-8H,3-6H2;;
    SZAWNSHHLUVDRC-UHFFFAOYSA-N    		 [Rh]|1|2|3|4|5|6|7(|C8C|1C|2C|3(C|48)CCN
    9C(=O)CCC9=O)|C%10C|5CCC|6C|7CC%10; C1CC
    2C3[Rh]245678(C1C4CC3)C9C5C6C7(C89)CCN1C
    (=O)CCC1=O; O=C1N(C(=O)CC1)CCC2%10C7C8C9
    C2[Rh]789%10456C3CCC6C5CCC34    		 [(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium
    35805 RME 5 C17 H22 N6 O3 InChI=1S/C17H22N6O3/c1-13
    -4-5-18-16(12-13)20-15-3-
    2-14(23(24)25)17(21-15)19
    -6-7-22-8-10-26-11-9-22/h
    2-5,12H,6-11H2,1H3,(H2,18
    ,19,20,21);
    OAEWOLLUOVFYIT-UHFFFAOYSA-N    		 Cc1ccnc(c1)Nc2ccc(c(n2)NCCN3CCOCC3)[N+](
    =O)[O-]; Cc1ccnc(Nc2ccc(c(NCCN3CCOCC3)n2
    )[N+]([O-])=O)c1    		 N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine;
    ~{N}6-(4-methylpyridin-2-yl)-~{N}2-(2-morpholin-4-ylethyl)-3-nitro-pyridine-2,6-diamine
    35806 RMF
    CHEMBL4877117    		 13 C21 H20 Cl2 N10 O InChI=1S/C21H20Cl2N10O/c1
    -31-10-12(8-26-31)33-11-2
    5-18-19(29-21(30-20(18)33
    )32-2-4-34-5-3-32)24-9-17
    -27-15-6-13(22)14(23)7-16
    (15)28-17/h6-8,10-11H,2-5
    ,9H2,1H3,(H,27,28)(H,24,2
    9,30);
    FSELUFUYNUNZKD-UHFFFAOYSA-N    		 Cn1cc(cn1)n2cnc3c2nc(nc3NCc4[nH]c5cc(c(c
    c5n4)Cl)Cl)N6CCOCC6; Cn1cc(cn1)n2cnc3c(N
    Cc4[nH]c5cc(Cl)c(Cl)cc5n4)nc(nc23)N6CCOC
    C6    		 ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine
    35807 RMG 1 C19 H28 N4 S2 InChI=1S/C19H28N4S2/c20-1
    7-16-14-8-3-1-4-9-15(14)2
    5-18(16)22-19(21-17)24-13
    -7-12-23-10-5-2-6-11-23/h
    1-13H2,(H2,20,21,22);
    VTSCBVXWAWVRQU-UHFFFAOYSA-N    		 C1CCCCN1CCCSc2nc(N)c3c(n2)sc4c3CCCCC4; C
    1CCc2c(sc3c2c(nc(n3)SCCCN4CCCCC4)N)CC1;
    Nc1nc(SCCCN2CCCCC2)nc3sc4CCCCCc4c13    		 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
    35808 RMI 2 C21 H22 Cl N3 O2 InChI=1S/C21H22ClN3O2/c1-
    25(2)8-9-27-18-6-7-19-16(
    12-18)13-23-14-20(19)24-2
    1(26)11-15-4-3-5-17(22)10
    -15/h3-7,10,12-14H,8-9,11
    H2,1-2H3,(H,24,26);
    LASXIBJOIXVTDT-UHFFFAOYSA-N    		 CN(C)CCOc1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3
    )Cl; Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)
    OCCN(C)C; CN(C)CCOc1ccc2c(NC(=O)Cc3cccc(
    Cl)c3)cncc2c1    		 2-(3-chlorophenyl)-N-{7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
    35809 RMJ 1 C18 H25 N5 O S2 InChI=1S/C18H25N5OS2/c19-
    16-15-12-5-4-6-13(12)26-1
    7(15)22-18(21-16)25-11-14
    (24)20-7-10-23-8-2-1-3-9-
    23/h1-11H2,(H,20,24)(H2,1
    9,21,22);
    WRJMGHAVQTXKPD-UHFFFAOYSA-N    		 Nc1nc(SCC(=O)NCCN2CCCCC2)nc3sc4CCCc4c13;
    C1CCN(CC1)CCNC(=O)CSc2nc(c3c4c(sc3n2)CC
    C4)N; C(CNC(CSc1nc(N)c2c(n1)sc3c2CCC3)=O
    )N4CCCCC4    		 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide
    35810 RMK
    CHEMBL5194116    		 2 C27 H34 N6 O2 InChI=1S/C27H34N6O2/c1-15
    (2)33-22(13-14-28-33)26(3
    4)30-25(24(19-5-6-19)20-7
    -8-20)27(35)29-21-11-9-18
    (10-12-21)23-16(3)31-32-1
    7(23)4/h9-15,19-20,24-25H
    ,5-8H2,1-4H3,(H,29,35)(H,
    30,34)(H,31,32)/t25-/m0/s
    1;
    CQKVACARDGYEMU-VWLOTQADSA-N    		 CC(C)n1nccc1C(=O)N[C@@H](C(C2CC2)C3CC3)C
    (=O)Nc4ccc(cc4)c5c(C)[nH]nc5C; CC(C)n1nc
    cc1C(=O)N[CH](C(C2CC2)C3CC3)C(=O)Nc4ccc(
    cc4)c5c(C)[nH]nc5C; Cc1c(c(n[nH]1)C)c2cc
    c(cc2)NC(=O)C(C(C3CC3)C4CC4)NC(=O)c5ccnn
    5C(C)C; Cc1c(c(n[nH]1)C)c2ccc(cc2)NC(=O)
    [C@H](C(C3CC3)C4CC4)NC(=O)c5ccnn5C(C)C    		 ~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide
    35811 RML 0 C40 H26 N12 Ru InChI=1S/C20H14N4.2C10H6N
    4.Ru/c1-11-9-15-16(10-12(
    11)2)24-20-14-6-4-8-22-18
    (14)17-13(19(20)23-15)5-3
    -7-21-17;2*1-2-8-10(14-6-
    4-12-8)9-7(1)11-3-5-13-9;
    /h3-10H,1-2H3;2*1-6H;/q;;
    ;+2;
    GGHWDMRPXFPGCU-UHFFFAOYSA-N    		 n1c3c6c5c4c(c3nc2c1cc(c(c2)C)C)cccn4[Ru+
    2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn%10c
    89)n%13c%14c%11c(nccn%11%12)ccc%14ncc%13
    ; [Ru++]|1|2|3(|n4cccc5c4c6n|1cccc6c7nc8
    cc(C)c(C)cc8nc57)(|n9ccnc%10ccc%11nccn|2
    c%11c9%10)|n%12ccnc%13ccc%14nccn|3c%14c%
    12%13    		 (11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+);
    Lambda-[Ru(1,4,5,8-tetraazaphenanthrene)2(11,12-dimethyl-dipyridophenazine)]2+
    35812 RMM
    ZINC000224396132    		 1 C13 H10 N4 O InChI=1S/C13H10N4O/c14-6-
    11(13(15)18)5-9-2-1-3-10(
    4-9)12-7-16-17-8-12/h1-5,
    7-8H,(H2,15,18)(H,16,17)/
    b11-5+;
    YCZXMEXRJXFIIS-VZUCSPMQSA-N    		 N#C/C(C(=O)N)=C\c1cccc(c1)c2cnnc2; NC(=O
    )C(=Cc1cccc(c1)c2c[nH]nc2)C#N; NC(=O)C(=
    C/c1cccc(c1)c2c[nH]nc2)/C#N; c1cc(cc(c1)
    c2c[nH]nc2)C=C(C#N)C(=O)N; c1cc(cc(c1)c2
    c[nH]nc2)/C=C(\C#N)/C(=O)N    		 (2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide
    35813 RMN
    CHEMBL292411
    DB02280
    ZINC000000164392    		 38 C8 H8 O3 InChI=1S/C8H8O3/c9-7(8(10
    )11)6-4-2-1-3-5-6/h1-5,7,
    9H,(H,10,11)/t7-/m1/s1;
    IWYDHOAUDWTVEP-SSDOTTSWSA-N    		 O[CH](C(O)=O)c1ccccc1; c1ccc(cc1)[C@H](C
    (=O)O)O; O[C@@H](C(O)=O)c1ccccc1; O=C(O)
    C(O)c1ccccc1; c1ccc(cc1)C(C(=O)O)O    		 (R)-MANDELIC ACID
    35814 RMO 2 As H Mo O3 S InChI=1S/AsHO2S.Mo.O/c2-1
    (3)4;;/h2H;;/q-2;+2;;
    OQRBJXHQYFZCTC-UHFFFAOYSA-N    		 O=[Mo]1O[As](O)S1; O[As@]1O[Mo](=O)S1; O
    [As]1O[Mo](=O)S1    		 [arsenothionito(2-)-kappa~2~O,S](oxo)molybdenum
    35815 RMP
    ZINC000033504876    		 0 C11 H16 N5 O5 P InChI=1S/C11H16N5O5P/c1-2
    2(18,19)20-3-7-6(17)2-8(2
    1-7)16-5-15-9-10(12)13-4-
    14-11(9)16/h4-8,17H,2-3H2
    ,1H3,(H,18,19)(H2,12,13,1
    4)/t6-,7+,8+/m0/s1;
    YNCYIAAXFUCITC-XLPZGREQSA-N    		 C[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2
    cnc3c2ncnc3N)O; C[P@@](O)(=O)OC[C@H]1O[C
    @H](C[C@@H]1O)n2cnc3c(N)ncnc23; C[P](O)(
    =O)OC[CH]1O[CH](C[CH]1O)n2cnc3c(N)ncnc23
    ; O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)CC3O)C;
    CP(=O)(O)OCC1C(CC(O1)n2cnc3c2ncnc3N)O    		 2'-DEOXY-ADENOSINE-5'-RP-MONOMETHYLPHOSPHONATE
    35816 RMQ
    CHEMBL5185930    		 4 C41 H50 Cl F2 N5 O9 InChI=1S/C41H50ClF2N5O9/c
    1-25(2)35(49-33(50)24-57-
    20-19-45-39(56)58-40(3,4)
    5)37(54)47-30(23-34(51)52
    )21-26-15-17-29(18-16-26)
    46-36(53)32(22-27-11-9-10
    -14-31(27)42)48-38(55)41(
    43,44)28-12-7-6-8-13-28/h
    6-18,25,30,32,35H,19-24H2
    ,1-5H3,(H,45,56)(H,46,53)
    (H,47,54)(H,48,55)(H,49,5
    0)(H,51,52)/t30-,32+,35+/
    m1/s1;
    WALXJMMKSMGUFF-GOCISWIWSA-N    		 CC(C)C(C(=O)NC(Cc1ccc(cc1)NC(=O)C(Cc2ccc
    cc2Cl)NC(=O)C(c3ccccc3)(F)F)CC(=O)O)NC(=
    O)COCCNC(=O)OC(C)(C)C; CC(C)[CH](NC(=O)C
    OCCNC(=O)OC(C)(C)C)C(=O)N[CH](CC(O)=O)Cc
    1ccc(NC(=O)[CH](Cc2ccccc2Cl)NC(=O)C(F)(F
    )c3ccccc3)cc1; CC(C)[C@H](NC(=O)COCCNC(=
    O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)Cc1ccc(
    NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C(F)(F)c3c
    cccc3)cc1; CC(C)[C@@H](C(=O)N[C@H](Cc1cc
    c(cc1)NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C(c3
    ccccc3)(F)F)CC(=O)O)NC(=O)COCCNC(=O)OC(C
    )(C)C    		 (3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid
    35817 RMR
    CHEMBL4288487
    ZINC000017909535    		 1 C16 H19 N O4 S InChI=1S/C16H19NO4S/c1-19
    -13-9-11(10-14(20-2)15(13
    )21-3)16(18)17-7-6-12-5-4
    -8-22-12/h4-5,8-10H,6-7H2
    ,1-3H3,(H,17,18);
    SKGBFUKYQVAIFX-UHFFFAOYSA-N    		 COc1cc(cc(c1OC)OC)C(=O)NCCc2cccs2; COc1c
    c(cc(OC)c1OC)C(=O)NCCc2sccc2    		 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide
    35818 RMS 1 C17 H24 N4 S2 InChI=1S/C17H24N4S2/c18-1
    5-14-12-6-4-7-13(12)23-16
    (14)20-17(19-15)22-11-5-1
    0-21-8-2-1-3-9-21/h1-11H2
    ,(H2,18,19,20);
    LFHQZKLJPPVEJC-UHFFFAOYSA-N    		 C1CCN(CC1)CCCSc2nc(c3c4c(sc3n2)CCC4)N; N
    c1nc(SCCCN2CCCCC2)nc3sc4CCCc4c13; C4N(CC
    CSc1nc(N)c2c3c(sc2n1)CCC3)CCCC4    		 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
    35819 RMT 7 C15 H17 N2 O9 P InChI=1S/C15H17N2O9P/c1-7
    -13(18)11(9(4-16-7)6-26-2
    7(23,24)25)5-17-12-3-8(14
    (19)20)2-10(12)15(21)22/h
    2,4,10,18H,3,5-6H2,1H3,(H
    ,19,20)(H,21,22)(H2,23,24
    ,25)/b17-12+/t10-/m1/s1;
    ZCYQKEUHCZMBPP-IDWSFWJTSA-N    		 n1c(c(O)c(c(c1)COP(O)(O)=O)C\N=C2\C(C=C(
    C(O)=O)C2)C(O)=O)C; Cc1c(c(c(cn1)COP(=O)
    (O)O)C/N=C/2\CC(=C[C@H]2C(=O)O)C(=O)O)O;
    Cc1ncc(CO[P](O)(O)=O)c(CN=C2CC(=C[C@H]2
    C(O)=O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(
    O)O)CN=C2CC(=CC2C(=O)O)C(=O)O)O; Cc1ncc(
    CO[P](O)(O)=O)c(CN=C2CC(=C[CH]2C(O)=O)C(
    O)=O)c1O    		 (3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid
    35820 RMU 1 C12 H9 Cl N4 O4 S InChI=1S/C12H9ClN4O4S/c1-
    6-10(3-9(21-6)12(15)18)22
    (19,20)17-8-2-7(4-14)11(1
    3)16-5-8/h2-3,5,17H,1H3,(
    H2,15,18);
    WARQQVLLUYXXAU-UHFFFAOYSA-N    		 Cc1c(cc(o1)C(=O)N)S(=O)(=O)Nc2cc(c(nc2)C
    l)C#N; Cc1oc(cc1[S](=O)(=O)Nc2cnc(Cl)c(c
    2)C#N)C(N)=O; O=S(=O)(Nc1cc(C#N)c(Cl)nc1
    )c1cc(oc1C)C(N)=O    		 4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide
    35821 RMV 1 C17 H25 N5 O S2 InChI=1S/C17H25N5OS2/c1-3
    -22(4-2)9-8-19-13(23)10-2
    4-17-20-15(18)14-11-6-5-7
    -12(11)25-16(14)21-17/h3-
    10H2,1-2H3,(H,19,23)(H2,1
    8,20,21);
    IBVCPFKCFDMQIP-UHFFFAOYSA-N    		 C(C)N(CCNC(CSc1nc(c2c(n1)sc3c2CCC3)N)=O)
    CC; CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CC
    C3)N; CCN(CC)CCNC(=O)CSc1nc(N)c2c3CCCc3s
    c2n1    		 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
    35822 RMW 1 C39 H52 N8 O16 P3 S InChI=1S/C39H51N8O16P3S/c
    1-39(2,21-60-66(57,58)63-
    65(55,56)59-20-28-33(62-6
    4(52,53)54)32(49)38(61-28
    )47-23-45-31-35(40)43-22-
    44-36(31)47)34(50)37(51)4
    2-14-11-30(48)41-15-18-67
    -29(19-24-12-16-46(3)17-1
    3-24)27-10-6-8-25-7-4-5-9
    -26(25)27/h4-10,12-13,16-
    17,22-23,28-29,32-34,38,4
    9-50H,11,14-15,18-21H2,1-
    3H3,(H7-,40,41,42,43,44,4
    8,51,52,53,54,55,56,57,58
    )/p+1/t28-,29-,32-,33-,34
    +,38-/m1/s1;
    OYNQMIGIWWZLSR-UAMJECFJSA-O    		 CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](
    [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(
    O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](Cc4cc[n
    +](cc4)C)c5cccc6c5cccc6)O; CC(C)(COP(=O)
    (O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)
    O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(Cc4cc[
    n+](cc4)C)c5cccc6c5cccc6)O; C[n+]1ccc(C[
    CH](SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P]
    (O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[C
    H]2O[P](O)(O)=O)n3cnc4c(N)ncnc34)c5cccc6
    ccccc56)cc1; C[n+]1ccc(C[C@@H](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)n3cnc4c(N)ncnc34)c5cccc6ccccc56
    )cc1    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
    35823 RMX 6 C26 H30 N10 O2 S InChI=1S/C26H30N10O2S/c1-
    16(2)36-15-31-22-24(29-13
    -18-8-10-19(11-9-18)20-7-
    5-6-12-28-20)32-26(33-25(
    22)36)30-14-21-23(39(27,3
    7)38)17(3)34-35(21)4/h5-1
    2,15-16H,13-14H2,1-4H3,(H
    2,27,37,38)(H2,29,30,32,3
    3);
    DCNMIIRVWOSZDG-UHFFFAOYSA-N    		 CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(NCc
    5n(C)nc(C)c5[S](N)(=O)=O)nc12; Cc1c(c(n(
    n1)C)CNc2nc(c3c(n2)n(cn3)C(C)C)NCc4ccc(c
    c4)c5ccccn5)S(=O)(=O)N    		 1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide
    35824 RMY
    ZINC000098209369    		 0 C19 H33 N O13 S InChI=1S/C19H33NO13S/c1-3
    -34-17-14(28)16(13(27)10(
    6-22)31-17)33-19(18(29)30
    )4-8(24)11(20-7(2)23)15(3
    2-19)12(26)9(25)5-21/h8-1
    7,21-22,24-28H,3-6H2,1-2H
    3,(H,20,23)(H,29,30)/t8-,
    9+,10+,11+,12+,13-,14+,15
    +,16-,17-,19-/m0/s1;
    XJSZEPMRURTGAF-DGRRIGLBSA-N    		 CCSC1C(C(C(C(O1)CO)O)OC2(CC(C(C(O2)C(C(C
    O)O)O)NC(=O)C)O)C(=O)O)O; CCS[C@H]1[C@@H
    ]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]2(C[C@
    @H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O
    )NC(=O)C)O)C(=O)O)O; CCS[C@@H]1O[C@H](CO
    )[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](N
    C(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C(O)
    =O)[C@H]1O; CCS[CH]1O[CH](CO)[CH](O)[CH]
    (O[C]2(C[CH](O)[CH](NC(C)=O)[CH](O2)[CH]
    (O)[CH](O)CO)C(O)=O)[CH]1O; O=C(O)C2(OC1
    C(O)C(SCC)OC(CO)C1O)OC(C(NC(=O)C)C(O)C2)
    C(O)C(O)CO    		 ethyl 3-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl]-1-thio-beta-D-galactopyranoside;
    alpha-2,3-sialyl (1-thioethyl)galactose
    35825 RMZ
    CHEMBL37170
    ZINC000003827164    		 1 C22 H27 N3 O InChI=1S/C22H27N3O/c1-16-
    7-8-18(15-17(16)2)25-13-1
    1-24(12-14-25)10-9-21-19-
    5-3-4-6-20(19)22(26)23-21
    /h3-8,15,21H,9-14H2,1-2H3
    ,(H,23,26)/t21-/m0/s1;
    WQEPZBNLBWDIRZ-NRFANRHFSA-N    		 Cc1ccc(cc1C)N2CCN(CC2)CC[C@H]3c4ccccc4C(
    =O)N3; Cc1ccc(cc1C)N2CCN(CC[CH]3NC(=O)c4
    ccccc34)CC2; Cc1ccc(cc1C)N2CCN(CC[C@@H]3
    NC(=O)c4ccccc34)CC2; Cc1ccc(cc1C)N2CCN(C
    C2)CCC3c4ccccc4C(=O)N3    		 (3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one;
    3-(2-(4-(3,4-Dimethylphenyl)piperazin-1-yl)ethyl)isoindolin-1-one
    35826 RN0 2 C18 H15 Cl N2 O4 S InChI=1S/C18H15ClN2O4S/c1
    -26(23,24)25-15-6-5-13-10
    -20-11-17(16(13)9-15)21-1
    8(22)8-12-3-2-4-14(19)7-1
    2/h2-7,9-11H,8H2,1H3,(H,2
    1,22);
    QXFKQZYRPVUBJK-UHFFFAOYSA-N    		 C[S](=O)(=O)Oc1ccc2cncc(NC(=O)Cc3cccc(Cl
    )c3)c2c1; Clc1cccc(c1)CC(=O)Nc1cncc2ccc(
    cc21)OS(C)(=O)=O; CS(=O)(=O)Oc1ccc2cncc(
    c2c1)NC(=O)Cc3cccc(c3)Cl    		 4-[2-(3-chlorophenyl)acetamido]isoquinolin-6-yl methanesulfonate
    35827 RN1
    CHEMBL1514070
    ZINC000002008501    		 2 C13 H14 O3 InChI=1S/C13H14O3/c14-8-1
    1(15)9-16-13-7-3-5-10-4-1
    -2-6-12(10)13/h1-7,11,14-
    15H,8-9H2/t11-/m1/s1;
    BYNNMWGWFIGTIC-LLVKDONJSA-N    		 c1ccc2c(c1)cccc2OC[C@@H](CO)O; c1ccc2c(c
    1)cccc2OCC(CO)O; OCC(O)COc2cccc1ccccc12;
    OC[C@@H](O)COc1cccc2ccccc12; OC[CH](O)C
    Oc1cccc2ccccc12    		 (2R)-3-(naphthalen-1-yloxy)propane-1,2-diol
    35828 RN2 13 C20 H32 N2 O4 InChI=1S/C20H32N2O4/c1-4-
    5-11-17(13-23)21-19(24)18
    (12-15(2)3)22-20(25)26-14
    -16-9-7-6-8-10-16/h6-10,1
    5,17-18,23H,4-5,11-14H2,1
    -3H3,(H,21,24)(H,22,25)/t
    17-,18-/m0/s1;
    JDNZSBPOIODDLU-ROUUACIJSA-N    		 CCCC[CH](CO)NC(=O)[CH](CC(C)C)NC(=O)OCc1
    ccccc1; CCCC[C@@H](CO)NC(=O)[C@H](CC(C)C
    )NC(=O)OCc1ccccc1; CCCCC(CO)NC(=O)C(CC(C
    )C)NC(=O)OCc1ccccc1    		 Calpeptin
    35829 RN3 2 C43 H45 Cl N8 O9 S InChI=1S/C43H45ClN8O9S/c1
    -23-34-36(25-13-15-26(44)
    16-14-25)47-28(21-33(55)6
    0-3)38-50-49-24(2)51(38)4
    3(34)62-37(23)40(57)46-20
    -9-7-5-4-6-8-19-45-32(54)
    22-61-30-12-10-11-27-35(3
    0)42(59)52(41(27)58)29-17
    -18-31(53)48-39(29)56/h10
    -16,28-29H,4-9,17-22H2,1-
    3H3,(H,45,54)(H,46,57)(H,
    48,53,56)/t28-,29-/m0/s1;
    ZIHIUFZFPMILIG-VMPREFPWSA-N    		 COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c3c(C)c(
    sc3n4c(C)nnc14)C(=O)NCCCCCCCCNC(=O)COc5c
    ccc6C(=O)N([C@H]7CCC(=O)NC7=O)C(=O)c56;
    n6c(C)n7c4c(c(c(C(=O)NCCCCCCCCNC(=O)COc1
    cccc2c1C(=O)N(C2=O)C3C(=O)NC(CC3)=O)s4)C
    )C(c5ccc(cc5)Cl)=NC(c7n6)CC(OC)=O; Cc1c2
    c(sc1C(=O)NCCCCCCCCNC(=O)COc3cccc4c3C(=O
    )N(C4=O)[C@H]5CCC(=O)NC5=O)-n6c(nnc6[C@@
    H](N=C2c7ccc(cc7)Cl)CC(=O)OC)C; COC(=O)C
    [CH]1N=C(c2ccc(Cl)cc2)c3c(C)c(sc3n4c(C)n
    nc14)C(=O)NCCCCCCCCNC(=O)COc5cccc6C(=O)N
    ([CH]7CCC(=O)NC7=O)C(=O)c56; Cc1c2c(sc1C
    (=O)NCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C4=
    O)C5CCC(=O)NC5=O)-n6c(nnc6C(N=C2c7ccc(cc
    7)Cl)CC(=O)OC)C
    35830 RN4 1 C24 H30 N4 S2 InChI=1S/C24H30N4S2/c25-2
    2-21-19-11-10-18(17-8-3-1
    -4-9-17)16-20(19)30-23(21
    )27-24(26-22)29-15-7-14-2
    8-12-5-2-6-13-28/h1,3-4,8
    -9,18H,2,5-7,10-16H2,(H2,
    25,26,27)/t18-/m0/s1;
    IMHDFRLOCDDLHN-SFHVURJKSA-N    		 Nc1nc(SCCCN2CCCCC2)nc3sc4C[C@H](CCc4c13)
    c5ccccc5; C1CCCCN1CCCSc2nc(N)c5c(n2)sc3c
    5CCC(C3)c4ccccc4; Nc1nc(SCCCN2CCCCC2)nc3
    sc4C[CH](CCc4c13)c5ccccc5; c1ccc(cc1)C2C
    Cc3c(sc4c3c(nc(n4)SCCCN5CCCCC5)N)C2; c1c
    cc(cc1)[C@H]2CCc3c(sc4c3c(nc(n4)SCCCN5CC
    CCC5)N)C2    		 (7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
    35831 RN5 2 C27 H24 N2 O3 S InChI=1S/C27H24N2O3S/c1-1
    6-13-24(28-22-9-7-19-11-1
    2-33-26(19)15-22)23-14-21
    (8-10-25(23)29(16)17(2)30
    )18-3-5-20(6-4-18)27(31)3
    2/h3-12,14-16,24,28H,13H2
    ,1-2H3,(H,31,32)/t16-,24+
    /m0/s1;
    PSXHCEJOKMTHEO-UPCLLVRISA-N    		 CC1CC(c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O
    )Nc4ccc5ccsc5c4; C[C@H]1C[C@@H](Nc2ccc3c
    csc3c2)c4cc(ccc4N1C(C)=O)c5ccc(cc5)C(O)=
    O; C[CH]1C[CH](Nc2ccc3ccsc3c2)c4cc(ccc4N
    1C(C)=O)c5ccc(cc5)C(O)=O; C[C@H]1C[C@H](
    c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4cc
    c5ccsc5c4    		 4-{(2S, 4R)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid;
    4-[(2~{S},4~{R})-4-(1-benzothiophen-6-ylamino)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-6-yl]benzoic acid
    35832 RN6 2 C42 H45 Cl N8 O7 S InChI=1S/C42H45ClN8O7S/c1
    -23-24(2)59-42-35(23)37(2
    6-13-15-27(43)16-14-26)46
    -29(38-49-48-25(3)50(38)4
    2)21-33(53)44-19-8-6-4-5-
    7-9-20-45-34(54)22-58-31-
    12-10-11-28-36(31)41(57)5
    1(40(28)56)30-17-18-32(52
    )47-39(30)55/h10-16,29-30
    H,4-9,17-22H2,1-3H3,(H,44
    ,53)(H,45,54)(H,47,52,55)
    /t29-,30-/m0/s1;
    JGQPZPLJOBHHBK-KYJUHHDHSA-N    		 Cc1sc2n3c(C)nnc3[C@H](CC(=O)NCCCCCCCCNC(
    =O)COc4cccc5C(=O)N([C@H]6CCC(=O)NC6=O)C(
    =O)c45)N=C(c7ccc(Cl)cc7)c2c1C; n1c(C)n5c
    (n1)C(CC(NCCCCCCCCNC(=O)COc3cccc4C(=O)N(
    C2C(=O)NC(CC2)=O)C(c34)=O)=O)N=C(c6c5sc(
    C)c6C)c7ccc(cc7)Cl; Cc1c(sc-2c1C(=NC(c3n
    2c(nn3)C)CC(=O)NCCCCCCCCNC(=O)COc4cccc5c
    4C(=O)N(C5=O)C6CCC(=O)NC6=O)c7ccc(cc7)Cl
    )C; Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCCCCCCC
    NC(=O)COc4cccc5C(=O)N([CH]6CCC(=O)NC6=O)
    C(=O)c45)N=C(c7ccc(Cl)cc7)c2c1C; Cc1c(sc
    -2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCC
    CNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(
    =O)NC6=O)c7ccc(cc7)Cl)C
    35833 RN7
    ZINC000019902880    		 1 C18 H25 N5 O2 S2 InChI=1S/C18H25N5O2S2/c19
    -16-15-12-3-1-2-4-13(12)2
    7-17(15)22-18(21-16)26-11
    -14(24)20-5-6-23-7-9-25-1
    0-8-23/h1-11H2,(H,20,24)(
    H2,19,21,22);
    CPHMUVOHJJACKB-UHFFFAOYSA-N    		 C3Cc2c1c(N)nc(nc1sc2CC3)SCC(NCCN4CCOCC4)
    =O; C1CCc2c(c3c(nc(nc3s2)SCC(=O)NCCN4CCO
    CC4)N)C1; Nc1nc(SCC(=O)NCCN2CCOCC2)nc3sc
    4CCCCc4c13    		 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide
    35834 RN8
    ZINC000066167074    		 3 C22 H16 N2 O4 S2 InChI=1S/C22H16N2O4S2/c1-
    3-15-13(9-23)17(19(29-15)
    21(25)26)11-5-7-12(8-6-11
    )18-14(10-24)16(4-2)30-20
    (18)22(27)28/h5-8H,3-4H2,
    1-2H3,(H,25,26)(H,27,28);
    BWTPBGGGXPNPMW-UHFFFAOYSA-N    		 CCc1sc(C(O)=O)c(c2ccc(cc2)c3c(sc(CC)c3C#
    N)C(O)=O)c1C#N; N#Cc1c(c(sc1CC)C(=O)O)c3
    ccc(c2c(C#N)c(sc2C(=O)O)CC)cc3; CCc1c(c(
    c(s1)C(=O)O)c2ccc(cc2)c3c(c(sc3C(=O)O)CC
    )C#N)C#N    		 3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid)
    35835 RN9 4 C25 H23 Cl N4 O5 InChI=1S/C25H23ClN4O5/c1-
    14-5-7-17(12-18(14)26)28-
    21(31)9-6-15-3-2-4-16(11-
    15)27-19-13-23(33)30(25(1
    9)35)20-8-10-22(32)29-24(
    20)34/h2-5,7,11-13,20,27H
    ,6,8-10H2,1H3,(H,28,31)(H
    ,29,32,34)/t20-/m0/s1;
    YDYSAFPHVGVORZ-FQEVSTJZSA-N    		 Cc1ccc(cc1Cl)NC(=O)CCc2cccc(c2)NC3=CC(=O
    )N(C3=O)C4CCC(=O)NC4=O; Cc1ccc(NC(=O)CCc
    2cccc(NC3=CC(=O)N([CH]4CCC(=O)NC4=O)C3=O
    )c2)cc1Cl; Cc1ccc(cc1Cl)NC(=O)CCc2cccc(c
    2)NC3=CC(=O)N(C3=O)[C@H]4CCC(=O)NC4=O; C
    c1ccc(NC(=O)CCc2cccc(NC3=CC(=O)N([C@H]4C
    CC(=O)NC4=O)C3=O)c2)cc1Cl    		 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide
    35836 RNA
    CHEMBL376044
    DB08481
    ZINC000004591645    		 2 C16 H14 N2 O4 S2 InChI=1S/C16H14N2O4S2/c1-
    10-3-7-13(8-4-10)24(20,21
    )18-16-17-15(19)14(23-16)
    9-12-6-5-11(2)22-12/h3-9H
    ,1-2H3,(H,17,18,19)/b14-9
    -;
    MXAPQGDBWFYKKX-ZROIWOOFSA-N    		 O=C1N=C(S/C1=C\c2oc(cc2)C)NS(=O)(=O)c3cc
    c(cc3)C; Cc1oc(cc1)C=C2SC(=NC2=O)N[S](=O
    )(=O)c3ccc(C)cc3; Cc1ccc(cc1)S(=O)(=O)NC
    2=NC(=O)C(=Cc3ccc(o3)C)S2; Cc1oc(cc1)\C=
    C2/SC(=NC2=O)N[S](=O)(=O)c3ccc(C)cc3    		 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE;
    (Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE
    35837 RNB
    CHEMBL4294528    		 8 C18 H23 Cl O3 InChI=1S/C18H23ClO3/c1-11
    (2)6-5-7-12(3)8-9-14-17(2
    1)15(10-20)13(4)16(19)18(
    14)22/h6,8,10,21-22H,5,7,
    9H2,1-4H3/b12-8+;
    UEUMAXMCCDEOIJ-XYOKQWHBSA-N    		 CC(C)=CCCC(C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O
    ; CC(C)=CCC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O
    )c1O; Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CCC=C(
    C)C)O)C=O; Cc1c(c(c(c(c1Cl)O)CC=C(C)CCC=
    C(C)C)O)C=O; Clc1c(c(c(O)c(c1O)C\C=C(/C)
    CC\C=C(/C)C)C=O)C    		 3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde;
    Colletochlorin B
    35838 RNC 1 C11 H12 N6 O3 InChI=1S/C11H12N6O3/c1-12
    -8-3-13-7(2-14-8)10(18)17
    -4-6(5-17)9-15-11(19)20-1
    6-9/h2-3,6H,4-5H2,1H3,(H,
    12,14)(H,15,16,19);
    YHUMVPIVKSGDRU-UHFFFAOYSA-N    		 CNc1cnc(cn1)C(=O)N2CC(C2)c3nc(on3)O; CNc
    1ncc(nc1)C(=O)N1CC(C1)c1nc(O)on1; CNc1cn
    c(cn1)C(=O)N2CC(C2)c3noc(O)n3    		 [3-(5-hydroxy-1,2,4-oxadiazol-3-yl)azetidin-1-yl][5-(methylamino)pyrazin-2-yl]methanone
    35839 RND
    CHEMBL4172691
    ZINC000098209370    		 1 C25 H29 N5 O InChI=1S/C25H29N5O/c26-22
    (13-17-14-27-23-7-3-1-5-2
    0(17)23)25(31)29-19-9-11-
    30(12-10-19)16-18-15-28-2
    4-8-4-2-6-21(18)24/h1-8,1
    4-15,19,22,27-28H,9-13,16
    ,26H2,(H,29,31)/t22-/m0/s
    1;
    YLGBZXMOCLUOKZ-QFIPXVFZSA-N    		 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC3CCN(CC
    3)Cc4c[nH]c5ccccc45; c1ccc2c(c1)c(c[nH]2
    )C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4ccc
    c5)N; O=C(NC3CCN(Cc1cnc2ccccc12)CC3)C(N)
    Cc5c4ccccc4nc5; N[CH](Cc1c[nH]c2ccccc12)
    C(=O)NC3CCN(CC3)Cc4c[nH]c5ccccc45; c1ccc
    2c(c1)c(c[nH]2)CC(C(=O)NC3CCN(CC3)Cc4c[n
    H]c5c4cccc5)N    		 N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-L-tryptophanamide
    35840 RNE
    CHEMBL4566718
    ZINC000031976594    		 1 C20 H31 N InChI=1S/C20H31N/c1-16(8-
    6-9-17(2)13-15-21)11-12-1
    9-18(3)10-7-14-20(19,4)5/
    h6,8-9,11-13H,7,10,14-15,
    21H2,1-5H3/b9-6+,12-11+,1
    6-8+,17-13+;
    ILYSIVSSNXQZQG-OVSJKPMPSA-N    		 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCN)C)C;
    CC(=C/CN)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)
    C; CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/
    CN)/C)/C; CC(=CCN)C=CC=C(C)C=CC1=C(C)CCC
    C1(C)C    		 (2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
    35841 RNF
    CHEMBL461557
    ZINC000034297930    		 6 C25 H30 N6 O InChI=1S/C25H30N6O/c1-4-2
    1(15-32)28-25-29-23(22-24
    (30-25)31(16-27-22)17(2)3
    )26-14-18-10-12-20(13-11-
    18)19-8-6-5-7-9-19/h5-13,
    16-17,21,32H,4,14-15H2,1-
    3H3,(H2,26,28,29,30)/t21-
    /m1/s1;
    BRJSFOFBYVFKCP-OAQYLSRUSA-N    		 CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(
    cc3)c4ccccc4; CC[C@H](CO)Nc1nc(c2c(n1)n(
    cn2)C(C)C)NCc3ccc(cc3)c4ccccc4; CC[CH](C
    O)Nc1nc(NCc2ccc(cc2)c3ccccc3)c4ncn(C(C)C
    )c4n1; CC[C@H](CO)Nc1nc(NCc2ccc(cc2)c3cc
    ccc3)c4ncn(C(C)C)c4n1    		 (2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
    35842 RNG
    ZINC000058632541    		 0 C11 H16 N2 O4 InChI=1S/C11H16N2O4/c14-9
    -4-1-5-10(15)13-8(7-11(16
    )17)3-2-6-12(9)13/h8H,1-7
    H2,(H,16,17)/t8-/m1/s1;
    PDRXEYTZAMUQQR-MRVPVSSYSA-N    		 O=C1N2N(C(=O)CCC1)C(CCC2)CC=O; C1C[C@@H]
    (N2C(=O)CCCC(=O)N2C1)CC(=O)O; OC(=O)C[C@
    H]1CCCN2N1C(=O)CCCC2=O; C1CC(N2C(=O)CCCC
    (=O)N2C1)CC(=O)O; OC(=O)C[CH]1CCCN2N1C(=
    O)CCCC2=O    		 (6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPIN-1-YL)-ACETALDEHYDE FRAGMENT;
    FUSED RING FRAGMENT OF INHIBITOR
    35843 RNH
    CHEMBL2408816
    ZINC000009574279    		 1 C16 H32 N2 O4 InChI=1S/C16H32N2O4/c1-4-
    5-6-7-8-10-17-13(20)9-11-
    18-15(22)14(21)16(2,3)12-
    19/h14,19,21H,4-12H2,1-3H
    3,(H,17,20)(H,18,22)/t14-
    /m0/s1;
    HHAVGBXLGVYXFF-AWEZNQCLSA-N    		 CCCCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO;
    CCCCCCCNC(=O)CCNC(=O)C(C(C)(C)CO)O; O=C(
    NCCC(=O)NCCCCCCC)C(O)C(C)(C)CO; CCCCCCCN
    C(=O)CCNC(=O)[C@@H](C(C)(C)CO)O; CCCCCCC
    NC(=O)CCNC(=O)[CH](O)C(C)(C)CO    		 (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide;
    N-heptylpantothenamide
    35844 RNI 1 C25 H24 Cl N5 O5 S2 InChI=1S/C25H24ClN5O5S2/c
    1-37(33,34)30-19-4-5-20-1
    7(8-19)10-28-11-23(20)29-
    24(32)22-13-31(12-16-2-3-
    18(26)9-21(16)22)38(35,36
    )15-25(14-27)6-7-25/h2-5,
    8-11,22,30H,6-7,12-13,15H
    2,1H3,(H,29,32)/t22-/m1/s
    1;
    VNRACBLIZVOLEF-JOCHJYFZSA-N    		 CS(=O)(=O)Nc1ccc2c(c1)cncc2NC(=O)[C@@H]3
    CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N;
    CS(=O)(=O)Nc1ccc2c(c1)cncc2NC(=O)C3CN(Cc
    4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N; C[S](
    =O)(=O)Nc1ccc2c(NC(=O)[C@@H]3CN(Cc4ccc(C
    l)cc34)[S](=O)(=O)CC5(CC5)C#N)cncc2c1; C
    [S](=O)(=O)Nc1ccc2c(NC(=O)[CH]3CN(Cc4ccc
    (Cl)cc34)[S](=O)(=O)CC5(CC5)C#N)cncc2c1;
    CS(=O)(=O)Nc1ccc2c(c1)cncc2NC(=O)C1CN(C
    c2ccc(Cl)cc21)S(=O)(=O)CC1(C#N)CC1    		 (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-{7-[(methanesulfonyl)amino]isoquinolin-4-yl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35845 RNJ 1 C19 H26 N4 S2 InChI=1S/C19H26N4S2/c1-13
    -6-7-14-15(12-13)25-18-16
    (14)17(20)21-19(22-18)24-
    11-5-10-23-8-3-2-4-9-23/h
    6-7,13H,2-5,8-12H2,1H3,(H
    2,20,21,22)/t13-/m1/s1;
    NTILTIMGUJTVAB-CYBMUJFWSA-N    		 CC1Cc2c(c3c(nc(nc3s2)SCCCN4CCCCC4)N)C=C1
    ; C[C@H]1Cc2sc3nc(SCCCN4CCCCC4)nc(N)c3c2
    C=C1; C4CCCN(CCCSc1nc(c2c(n1)sc3c2C=CC(C
    3)C)N)C4; C[C@H]1Cc2c(c3c(nc(nc3s2)SCCCN
    4CCCCC4)N)C=C1; C[CH]1Cc2sc3nc(SCCCN4CCC
    CC4)nc(N)c3c2C=C1    		 (7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine
    35846 RNK
    CHEMBL4074202
    ZINC000040087342    		 1 C11 H12 Cl N3 O S InChI=1S/C11H12ClN3OS/c1-
    7-3-4-17-9(7)6-13-8-5-14-
    15(2)11(16)10(8)12/h3-5,1
    3H,6H2,1-2H3;
    UTXFLBKLCRBXBW-UHFFFAOYSA-N    		 Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl; CN1N=CC
    (=C(Cl)C1=O)NCc2sccc2C    		 4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one
    35847 RNL 1 C13 H15 N5 O4 InChI=1S/C13H15N5O4/c1-17
    -4-5-18-9(15-16-10(18)12(
    17)20)2-3-14-11(19)7-6-8(
    7)13(21)22/h4-5,7-8H,2-3,
    6H2,1H3,(H,14,19)(H,21,22
    )/t7-,8+/m0/s1;
    ZHMWBBORZYXPPK-JGVFFNPUSA-N    		 CN1C=Cn2c(nnc2C1=O)CCNC(=O)[C@H]3C[C@H]3
    C(=O)O; CN1C=Cn2c(nnc2C1=O)CCNC(=O)C3CC3
    C(=O)O; CN1C=Cn2c(CCNC(=O)[CH]3C[CH]3C(O
    )=O)nnc2C1=O; O=C(O)C1CC1C(=O)NCCc1nnc2n
    1C=CN(C)C2=O; CN1C=Cn2c(CCNC(=O)[C@H]3C[
    C@H]3C(O)=O)nnc2C1=O    		 (1R,2S)-2-({2-[(4S)-7-methyl-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl}carbamoyl)cyclopropane-1-carboxylic acid
    35848 RNM 1 C18 H26 N4 S2 InChI=1S/C18H26N4S2/c1-11
    -5-6-13-14(8-11)24-17-15(
    13)16(19)20-18(21-17)23-1
    0-12-4-3-7-22(2)9-12/h11-
    12H,3-10H2,1-2H3,(H2,19,2
    0,21)/t11-,12-/m1/s1;
    STWKSNMUKUNXDK-VXGBXAGGSA-N    		 CC1CCc2c(sc3c2c(nc(n3)SCC4CCCN(C4)C)N)C1
    ; C[C@@H]1CCc2c(C1)sc3nc(SC[C@@H]4CCCN(C
    )C4)nc(N)c23; C[CH]1CCc2c(C1)sc3nc(SC[CH
    ]4CCCN(C)C4)nc(N)c23; C[C@@H]1CCc2c(sc3c
    2c(nc(n3)SC[C@@H]4CCCN(C4)C)N)C1; Nc2nc(
    SCC1CCCN(C)C1)nc4c2c3CCC(Cc3s4)C    		 (7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
    35849 RNN
    ZINC000034056416    		 3 C16 H28 N2 O4 S2 InChI=1S/C16H28N2O4S2/c1-
    13(2)23(19,20)17-11-9-15-
    5-7-16(8-6-15)10-12-18-24
    (21,22)14(3)4/h5-8,13-14,
    17-18H,9-12H2,1-4H3;
    FHLGMMYEKXPVSC-UHFFFAOYSA-N    		 O=S(=O)(NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C)C
    (C)C; CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O
    )(=O)C(C)C; CC(C)[S](=O)(=O)NCCc1ccc(CCN
    [S](=O)(=O)C(C)C)cc1    		 N,N'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide
    35850 RNO
    DB04777
    ZINC000001020829    		 4 C8 H7 N O3 InChI=1S/C8H7NO3/c10-9(11
    )7-3-1-6(2-4-7)8-5-12-8/h
    1-4,8H,5H2/t8-/m0/s1;
    YKIUTLHCSNCTDZ-QMMMGPOBSA-N    		 c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-]; c1cc(c
    cc1C2CO2)[N+](=O)[O-]; [O-][N+](=O)c1ccc
    (cc1)[CH]2CO2; [O-][N+](=O)c1ccc(cc1)[C@
    @H]2CO2; [O-][N+](=O)c1ccc(cc1)C2OC2    		 (R)-PARA-NITROSTYRENE OXIDE;
    (2R)-2-(4-NITROPHENYL)OXIRANE
    35851 RNP
    ZINC000033445765    		 4 C16 H19 N O2 InChI=1S/C16H19NO2/c1-12(
    2)17-10-14(18)11-19-16-9-
    5-7-13-6-3-4-8-15(13)16/h
    3-10,12,14,18H,11H2,1-2H3
    /b17-10-/t14-/m1/s1;
    LLOTXRYLQVWOGC-AYCSXLNKSA-N    		 CC(C)N=C[CH](O)COc1cccc2ccccc12; N(=C\C(
    O)COc2cccc1ccccc12)\C(C)C; CC(C)N=CC(COc
    1cccc2c1cccc2)O; CC(C)N=C[C@@H](O)COc1cc
    cc2ccccc12; CC(C)N=C[C@H](COc1cccc2c1ccc
    c2)O    		 (1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPHTHYLOXY)PROPAN-2-OL
    35852 RNR
    ZINC000058638472    		 0 C27 H31 F2 N5 O2 InChI=1S/C27H31F2N5O2/c28
    -20-5-9-33(16-20)11-7-26(
    35)30-22-3-1-18-13-19-2-4
    -23(15-25(19)32-24(18)14-
    22)31-27(36)8-12-34-10-6-
    21(29)17-34/h1-4,13-15,20
    -21H,5-12,16-17H2,(H,30,3
    5)(H,31,36)/t20-,21-/m1/s
    1;
    LWWRDCOEZPEHNJ-NHCUHLMSSA-N    		 F[CH]1CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN
    5CC[CH](F)C5)cc4nc3c2)C1; c1cc(cc2c1cc3c
    cc(cc3n2)NC(=O)CC[N@@]4CC[C@H](C4)F)NC(=
    O)CC[N@@]5CC[C@H](C5)F; c1cc(cc2c1cc3ccc
    (cc3n2)NC(=O)CCN4CCC(C4)F)NC(=O)CCN5CCC(
    C5)F; F[C@@H]1CCN(CCC(=O)Nc2ccc3cc4ccc(N
    C(=O)CCN5CC[C@@H](F)C5)cc4nc3c2)C1; O=C(
    Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc
    4)CCN5CCC(F)C5    		 3,6-bis(3-(3'-(R)-fluoropyrrolindino)propionamido)acridine;
    N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide}
    35853 RNS
    DB02961
    ZINC000002038606    		 32 C6 H12 O5 InChI=1S/C6H12O5/c1-3(8)5
    (10)6(11)4(9)2-7/h2-6,8-1
    1H,1H3/t3-,4-,5-,6-/m0/s1;
    PNNNRSAQSRJVSB-BXKVDMCESA-N    		 C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O;
    O=CC(O)C(O)C(O)C(O)C; CC(C(C(C(C=O)O)O)O
    )O; C[CH](O)[CH](O)[CH](O)[CH](O)C=O; C[
    C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O    		 L-RHAMNOSE
    35854 RNT
    DB02399
    ZINC000002046963    		 4 C6 H14 O5 InChI=1S/C6H14O5/c1-3(8)5
    (10)6(11)4(9)2-7/h3-11H,2
    H2,1H3/t3-,4-,5-,6-/m0/s1;
    SKCKOFZKJLZSFA-BXKVDMCESA-N    		 CC(C(C(C(CO)O)O)O)O; C[C@H](O)[C@H](O)[C
    @@H](O)[C@@H](O)CO; OC(C(O)C)C(O)C(O)CO;
    C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O;
    C[CH](O)[CH](O)[CH](O)[CH](O)CO    		 L-RHAMNITOL
    35855 RNU 6 C14 H17 N3 O3 S2 InChI=1S/C14H17N3O3S2/c1-
    8-3-4-11(20-8)13(19)17-7-
    21-6-10(17)12(18)16-14-15
    -5-9(2)22-14/h3-5,10,14-1
    5H,6-7H2,1-2H3,(H,16,18)/
    t10-,14+/m1/s1;
    UAKUHPRPOILDIK-YGRLFVJLSA-N    		 Cc1ccc(o1)C(=O)N2CSCC2C(=O)NC3NC=C(S3)C;
    Cc1oc(cc1)C(=O)N2CSC[CH]2C(=O)N[CH]3NC=
    C(C)S3; Cc1oc(cc1)C(=O)N2CSC[C@@H]2C(=O)
    N[C@@H]3NC=C(C)S3    		 ~{N}-(5-methyl-2,3-dihydro-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-1,3-thiazolidine-4-carboxamide
    35856 RNV 2 C18 H27 N5 O S2 InChI=1S/C18H27N5OS2/c1-3
    -23(4-2)10-9-20-14(24)11-
    25-18-21-16(19)15-12-7-5-
    6-8-13(12)26-17(15)22-18/
    h3-11H2,1-2H3,(H,20,24)(H
    2,19,21,22);
    IQQWKKVZCVYLKR-UHFFFAOYSA-N    		 CCN(CC)CCNC(=O)CSc1nc(N)c2c3CCCCc3sc2n1;
    CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3
    )N; C(CNC(CSc1nc(N)c2c(n1)sc3c2CCCC3)=O)
    N(CC)CC    		 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
    35857 RNW
    ZINC000004611316    		 1 C15 H15 N O3 S InChI=1S/C15H15NO3S/c17-1
    4(16-18)11-20(19)15(12-7-
    3-1-4-8-12)13-9-5-2-6-10-
    13/h1-10,15,18H,11H2,(H,1
    6,17)/t20-/m1/s1;
    CGNMLOKEMNBUAI-HXUWFJFHSA-N    		 c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)NO; ONC(
    =O)C[S](=O)C(c1ccccc1)c2ccccc2; ONC(=O)C
    [S@@](=O)C(c1ccccc1)c2ccccc2    		 2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide
    35858 RNX 1 C28 H38 F2 N10 O4 InChI=1S/C28H38F2N10O4/c1
    -3-21(41)37-6-4-19(5-7-37
    )16-44-17-22(42)38-8-10-3
    9(11-9-38)27-34-25(20-14-
    32-26(31)33-23(20)24(29)3
    0)35-28(36-27)40-12-13-43
    -15-18(40)2/h3,14,18-19,2
    4H,1,4-13,15-17H2,2H3,(H2
    ,31,32,33)/t18-/m0/s1;
    PVVOFYPFCTWUAT-SFHVURJKSA-N    		 C[CH]1COCCN1c2nc(nc(n2)c3cnc(N)nc3C(F)F)
    N4CCN(CC4)C(=O)COCC5CCN(CC5)C(=O)C=C; C[
    C@H]1COCCN1c2nc(nc(n2)c3cnc(N)nc3C(F)F)N
    4CCN(CC4)C(=O)COCC5CCN(CC5)C(=O)C=C; C[C
    @H]1COCCN1c2nc(nc(n2)N3CCN(CC3)C(=O)COCC
    4CCN(CC4)C(=O)C=C)c5cnc(nc5C(F)F)N; CC1C
    OCCN1c2nc(nc(n2)N3CCN(CC3)C(=O)COCC4CCN(
    CC4)C(=O)C=C)c5cnc(nc5C(F)F)N; C=CC(=O)N
    1CCC(CC1)COCC(=O)N1CCN(CC1)c1nc(nc(n1)c1
    cnc(N)nc1C(F)F)N1CCOCC1C    		 1-(4-{[2-(4-{(4P)-4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethoxy]methyl}piperidin-1-yl)prop-2-en-1-one
    35859 RNY 0 C32 H37 N7 O4 InChI=1S/C32H37N7O4/c1-22
    -5-6-24(36-32(40)23-7-8-3
    3-30(17-23)39-12-14-42-15
    -13-39)18-26(22)37-31-25-
    19-29(43-16-11-38-9-3-4-1
    0-38)28(41-2)20-27(25)34-
    21-35-31/h5-8,17-21H,3-4,
    9-16H2,1-2H3,(H,36,40)(H,
    34,35,37);
    LGTPGGBSDIEHKM-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC
    4)NC(=O)c5ccnc(c5)N6CCOCC6; COc1cc2ncnc(
    Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C)c2c
    c1OCCN6CCCC6; O=C(Nc4ccc(c(Nc3ncnc2c3cc(
    OCCN1CCCC1)c(OC)c2)c4)C)c5cc(ncc5)N6CCOC
    C6    		 N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLPYRIDINE-4-CARBOXAMIDE
    35860 RNZ 1 C29 H37 N2 O2 InChI=1S/C29H36N2O2/c1-29
    (2,3)21-30-20-26(32)25(19
    -22-13-7-4-8-14-22)31-28(
    33)27(23-15-9-5-10-16-23)
    24-17-11-6-12-18-24/h4-18
    ,25-27,30,32H,19-21H2,1-3
    H3,(H,31,33)/p+1/t25-,26+
    /m0/s1;
    SGKQSSMGZUXLMP-IZZNHLLZSA-O    		 CC(C)(C)C[NH2+]C[C@H]([C@H](Cc1ccccc1)NC
    (=O)C(c2ccccc2)c3ccccc3)O; CC(C)(C)C[NH2
    +]CC(C(Cc1ccccc1)NC(=O)C(c2ccccc2)c3cccc
    c3)O; CC(C)(C)C[NH2+]C[C@@H](O)[C@H](Cc1
    ccccc1)NC(=O)C(c2ccccc2)c3ccccc3; CC(C)(
    C)C[NH2+]C[CH](O)[CH](Cc1ccccc1)NC(=O)C(
    c2ccccc2)c3ccccc3    		 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium
    35861 RO0
    ZINC000024777538    		 1 C33 H38 N2 O5 InChI=1S/C33H38N2O5/c1-36
    -29-9-7-6-8-25(29)23-12-1
    4-35(15-13-23)21-24-20-34
    -28(16-22-10-11-30(37-2)3
    1(17-22)38-3)27-19-33(40-
    5)32(39-4)18-26(24)27/h6-
    11,17-20,23H,12-16,21H2,1
    -5H3;
    DJEGOJNHRNRMHS-UHFFFAOYSA-N    		 COc1ccccc1C2CCN(CC2)Cc3cnc(c4c3cc(c(c4)O
    C)OC)Cc5ccc(c(c5)OC)OC; COc1ccc(Cc2ncc(C
    N3CCC(CC3)c4ccccc4OC)c5cc(OC)c(OC)cc25)c
    c1OC; O(c1ccc(cc1OC)Cc3ncc(c2cc(OC)c(OC)
    cc23)CN5CCC(c4ccccc4OC)CC5)C    		 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE;
    ISOQUINOLINE DERIVATIVE PA-082
    35862 RO1
    ZINC000058638528    		 2 C37 H53 N5 O7 S InChI=1S/C37H53N5O7S/c1-3
    6(2,3)41-34(45)30-20-26-1
    5-10-11-16-27(26)22-42(30
    )23-31(43)29(19-25-13-8-7
    -9-14-25)39-35(46)33(37(4
    ,5)50(6,47)48)40-32(44)24
    -49-28-17-12-18-38-21-28/
    h7-9,12-14,17-18,21,26-27
    ,29-30,33H,10-11,15-16,19
    -20,22-24H2,1-6H3,(H,39,4
    6)(H,40,44)(H,41,45)/t26-
    ,27+,29-,30-,33+/m0/s1;
    NHCWVIKQVTUOGE-HAMVXVSQSA-N    		 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2
    C[N@]1CC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](
    C(C)(C)S(=O)(=O)C)NC(=O)COc4cccnc4; CC(C
    )(C)NC(=O)C1CC2CCCCC2CN1CC(=O)C(Cc3ccccc
    3)NC(=O)C(C(C)(C)S(=O)(=O)C)NC(=O)COc4cc
    cnc4; CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[
    C@@H]2CN1CC(=O)[C@H](Cc3ccccc3)NC(=O)[C@
    @H](NC(=O)COc4cccnc4)C(C)(C)[S](C)(=O)=O
    ; O=S(=O)(C)C(C)(C)C(NC(=O)COc1cccnc1)C(
    =O)NC(C(=O)CN3C(C(=O)NC(C)(C)C)CC2CCCCC2
    C3)Cc4ccccc4; CC(C)(C)NC(=O)[CH]1C[CH]2C
    CCC[CH]2CN1CC(=O)[CH](Cc3ccccc3)NC(=O)[C
    H](NC(=O)COc4cccnc4)C(C)(C)[S](C)(=O)=O    		 (3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-3-({3-(METHYLSULFONYL)-N-[(PYRIDIN-3-YLOXY)ACETYL]-L-VALYL}AMINO)-2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE-3-CARBOXAMIDE
    35863 RO2
    ZINC000006028414    		 0 C24 H23 N7 O InChI=1S/C24H23N7O/c1-30-
    9-11-31(12-10-30)21-8-7-1
    9-24(28-21)29-23(26-19)16
    -5-6-18-20(14-16)27-22(25
    -18)15-3-2-4-17(32)13-15/
    h2-8,13-14,32H,9-12H2,1H3
    ,(H,25,27)(H,26,28,29);
    VDFACTPXXYZXTP-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc3c(n2)nc([nH]3)c4ccc5c(c
    4)[nH]c(n5)c6cccc(c6)O; n2c(N1CCN(C)CC1)
    ccc3nc(nc23)c6ccc5nc(c4cccc(O)c4)nc5c6;
    CN1CCN(CC1)c2ccc3[nH]c(nc3n2)c4ccc5nc([n
    H]c5c4)c6cccc(O)c6    		 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-BENZIMIDAZOL-2-YL]-PHENOL;
    META-OH(N) HOECHST
    35864 RO3
    CHEMBL595067
    ZINC000045339707    		 9 C11 H10 Br N3 O3 S2 InChI=1S/C11H10BrN3O3S2/c
    1-7-2-4-8(5-3-7)20(17,18)
    15-10(16)14-11-13-6-9(12)
    19-11/h2-6H,1H3,(H2,13,14
    ,15,16);
    XFLQMYNYRPUILJ-UHFFFAOYSA-N    		 Cc1ccc(cc1)[S](=O)(=O)NC(=O)N=C2NC=C(Br)
    S2; BrC=2S/C(=N\C(=O)NS(=O)(=O)c1ccc(cc1
    )C)NC=2; Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2N
    C=C(S2)Br    		 N-{[(2Z)-5-BROMO-1,3-THIAZOL-2(3H)-YLIDENE]CARBAMOYL}-4-METHYLBENZENESULFONAMIDE
    35865 RO4
    CHEMBL92608
    DB08482
    ZINC000003801503    		 1 C19 H35 N3 O6 InChI=1S/C19H35N3O6/c1-7-
    28-19(26)13(6)20-18(25)15
    (9-12(4)5)21-17(24)14(8-1
    1(2)3)10-16(23)22-27/h11-
    15,27H,7-10H2,1-6H3,(H,20
    ,25)(H,21,24)(H,22,23)/t1
    3-,14+,15-/m0/s1;
    XKRONJXEXGFBRZ-ZNMIVQPWSA-N    		 CCOC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)
    C)CC(=O)NO; CCOC(=O)[C@H](C)NC(=O)[C@H](
    CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO; O=C(
    NO)CC(C(=O)NC(C(=O)NC(C(=O)OCC)C)CC(C)C)
    CC(C)C; CCOC(=O)[CH](C)NC(=O)[CH](CC(C)C
    )NC(=O)[CH](CC(C)C)CC(=O)NO    		 [[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER
    35866 RO5
    CHEMBL589137
    ZINC000045339545    		 8 C12 H12 Br N3 O3 S2 InChI=1S/C12H12BrN3O3S2/c
    1-2-8-4-3-5-9(6-8)21(18,1
    9)16-11(17)15-12-14-7-10(
    13)20-12/h3-7H,2H2,1H3,(H
    2,14,15,16,17);
    CDARLLLKPJHKBU-UHFFFAOYSA-N    		 CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br;
    CCc1cccc(c1)[S](=O)(=O)NC(=O)Nc2sc(Br)c
    n2; Brc1sc(nc1)NC(=O)NS(=O)(=O)c2cccc(c2
    )CC    		 N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide
    35867 RO6
    CHEMBL1235713
    ZINC000149960964    		 1 C18 H20 Cl N5 O2 InChI=1S/C18H20ClN5O2/c19
    -14-3-1-2-4-15(14)24-10-1
    1-9-20-17(22-16(11)23-18(
    24)26)21-12-5-7-13(25)8-6
    -12/h1-4,9,12-13,25H,5-8,
    10H2,(H2,20,21,22,23,26)/
    t12-,13-;
    NSHBSERFNQQOCC-JOCQHMNTSA-N    		 O[C@@H]1CC[C@H](CC1)Nc2ncc3CN(C(=O)Nc3n2
    )c4ccccc4Cl; Clc1ccccc1N3C(=O)Nc2nc(ncc2
    C3)NC4CCC(O)CC4; c1ccc(c(c1)N2Cc3cnc(nc3
    NC2=O)NC4CCC(CC4)O)Cl; O[CH]1CC[CH](CC1)
    Nc2ncc3CN(C(=O)Nc3n2)c4ccccc4Cl    		 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
    35868 RO7
    CHEMBL519504
    DB08915
    ZINC000049573657    		 2 C24 H23 N O5 S InChI=1S/C24H23NO5S/c1-15
    -19(25-23(30-15)16-6-4-3-
    5-7-16)10-12-29-20-9-8-17
    (14-21(28-2)24(26)27)22-1
    8(20)11-13-31-22/h3-9,11,
    13,21H,10,12,14H2,1-2H3,(
    H,26,27)/t21-/m0/s1;
    DAYKLWSKQJBGCS-NRFANRHFSA-N    		 Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)C[
    C@@H](C(=O)O)OC; O=C(O)C(OC)Cc4ccc(OCCc1
    nc(oc1C)c2ccccc2)c3c4scc3; CO[CH](Cc1ccc
    (OCCc2nc(oc2C)c3ccccc3)c4ccsc14)C(O)=O;
    Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC
    (C(=O)O)OC; CO[C@@H](Cc1ccc(OCCc2nc(oc2C
    )c3ccccc3)c4ccsc14)C(O)=O    		 (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid
    35869 RO8
    CHEMBL595149
    ZINC000045348530    		 8 C10 H7 Br Cl N3 O3 S2 InChI=1S/C10H7BrClN3O3S2/
    c11-8-5-13-10(19-8)14-9(1
    6)15-20(17,18)7-3-1-2-6(1
    2)4-7/h1-5H,(H2,13,14,15,
    16);
    VRHXEPNJEQXSSS-UHFFFAOYSA-N    		 Clc1cccc(c1)[S](=O)(=O)NC(=O)N=C2NC=C(Br
    )S2; c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)N=C2NC
    =C(S2)Br; c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/
    N=C\2/NC=C(S2)Br; BrC=2S/C(=N\C(=O)NS(=O
    )(=O)c1cccc(Cl)c1)NC=2    		 N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide;
    RO5062408
    35870 RO9
    ZINC000098209371    		 1 C20 H18 N4 O InChI=1S/C20H18N4O/c1-13-
    10-19(24-23-13)21-18-12-1
    4-6-3-4-9-17(14)20(22-18)
    15-7-5-8-16(11-15)25-2/h3
    -12H,1-2H3,(H2,21,22,23,2
    4);
    IREPAVPIORVYOI-UHFFFAOYSA-N    		 COc1cccc(c1)c2nc(Nc3cc(C)[nH]n3)cc4ccccc
    24; n2c(c1cccc(OC)c1)c4c(cc2Nc3nnc(c3)C)
    cccc4; Cc1cc(n[nH]1)Nc2cc3ccccc3c(n2)c4c
    ccc(c4)OC    		 1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine
    35871 ROA
    CHEMBL324842
    DB16865
    ZINC000000899870    		 11 C18 H16 O8 InChI=1S/C18H16O8/c19-12-
    4-1-10(7-14(12)21)3-6-17(
    23)26-16(18(24)25)9-11-2-
    5-13(20)15(22)8-11/h1-8,1
    6,19-22H,9H2,(H,24,25)/b6
    -3+/t16-/m1/s1;
    DOUMFZQKYFQNTF-WUTVXBCWSA-N    		 O=C(O)C(OC(=O)\C=C\c1ccc(O)c(O)c1)Cc2cc(
    O)c(O)cc2; c1cc(c(cc1C[C@H](C(=O)O)OC(=O
    )/C=C/c2ccc(c(c2)O)O)O)O; OC(=O)[CH](Cc1
    ccc(O)c(O)c1)OC(=O)C=Cc2ccc(O)c(O)c2; OC
    (=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2
    ccc(O)c(O)c2; c1cc(c(cc1CC(C(=O)O)OC(=O)
    C=Cc2ccc(c(c2)O)O)O)O    		 (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid;
    Rosmarinic acid
    35872 ROB 0 C5 H11 O7 P InChI=1/C5H11O7P/c6-3-1-1
    1-4(5(3)7)2-12-13(8,9)10/
    h3-7H,1-2H2,(H2,8,9,10)/t
    3-,4+,5+/m0/s1/f/h8-9H;
    CYZZKTRFOOKUMT-JGQNVVOSDK    		 O[C@H]1CO[C@H](CO[P](O)(O)=O)[C@@H]1O; O
    =P(OCC1OCC(O)C1O)(O)O; O[CH]1CO[CH](CO[P
    ](O)(O)=O)[CH]1O; C1C(C(C(O1)COP(=O)(O)O
    )O)O; C1[C@@H]([C@H]([C@H](O1)COP(=O)(O)
    O)O)O    		 1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
    35873 ROC
    CHEMBL114
    DB01232
    ZINC000003914596    		 65 C38 H50 N6 O5 InChI=1S/C38H50N6O5/c1-38
    (2,3)43-37(49)32-20-26-14
    -7-8-15-27(26)22-44(32)23
    -33(45)30(19-24-11-5-4-6-
    12-24)41-36(48)31(21-34(3
    9)46)42-35(47)29-18-17-25
    -13-9-10-16-28(25)40-29/h
    4-6,9-13,16-18,26-27,30-3
    3,45H,7-8,14-15,19-23H2,1
    -3H3,(H2,39,46)(H,41,48)(
    H,42,47)(H,43,49)/t26-,27
    +,30-,31-,32-,33+/m0/s1;
    QWAXKHKRTORLEM-UGJKXSETSA-N    		 O=C(N)CC(NC(=O)c1nc2c(cc1)cccc2)C(=O)NC(
    Cc3ccccc3)C(O)CN5C(C(=O)NC(C)(C)C)CC4C(C
    CCC4)C5; CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CC
    CC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC
    (=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O
    ; CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(Cc3cc
    ccc3)NC(=O)C(CC(=O)N)NC(=O)c4ccc5ccccc5n
    4)O; CC(C)(C)NC(=O)[CH]1C[CH]2CCCC[CH]2C
    N1C[CH](O)[CH](Cc3ccccc3)NC(=O)[CH](CC(N
    )=O)NC(=O)c4ccc5ccccc5n4; CC(C)(C)NC(=O)
    [C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[
    C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O
    )c4ccc5ccccc5n4    		 (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide;
    Fortovase;
    SAQUINAVIR;
    RO 31-8959
    35874 ROD
    CHEMBL3990765
    ZINC000095920812    		 2 C14 H11 F3 N2 O4 InChI=1S/C14H11F3N2O4/c15
    -14(16,17)9-4-2-1-3-7(9)5
    -6-8-10(12(21)22)18-13(23
    )19-11(8)20/h1-4H,5-6H2,(
    H,21,22)(H2,18,19,20,23);
    AWIYFELWZKLJAG-UHFFFAOYSA-N    		 c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)C(F
    )(F)F; O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cccc
    c2C(F)(F)F; OC(=O)C1=C(CCc2ccccc2C(F)(F)
    F)C(=O)NC(=O)N1    		 2,6-dioxo-5-{2-[2-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
    35875 ROE
    CHEMBL3990079
    ZINC000095921336    		 2 C18 H16 N2 O5 InChI=1S/C18H16N2O5/c1-25
    -13-6-5-11-8-10(2-4-12(11
    )9-13)3-7-14-15(17(22)23)
    19-18(24)20-16(14)21/h2,4
    -6,8-9H,3,7H2,1H3,(H,22,2
    3)(H2,19,20,21,24);
    ZJUCWZAIRHXMFM-UHFFFAOYSA-N    		 COc1ccc2cc(CCC3=C(NC(=O)NC3=O)C(O)=O)ccc
    2c1; O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc
    (OC)cc2cc3; COc1ccc2cc(ccc2c1)CCC3=C(NC(
    =O)NC3=O)C(=O)O    		 5-[2-(6-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
    35876 ROF
    CHEMBL193240
    DB01656
    ZINC000000592419    		 8 C17 H14 Cl2 F2 N2 O3 InChI=1S/C17H14Cl2F2N2O3/
    c18-11-6-22-7-12(19)15(11
    )23-16(24)10-3-4-13(26-17
    (20)21)14(5-10)25-8-9-1-2
    -9/h3-7,9,17H,1-2,8H2,(H,
    22,23,24);
    MNDBXUUTURYVHR-UHFFFAOYSA-N    		 FC(F)Oc1ccc(cc1OCC2CC2)C(=O)Nc3c(Cl)cncc
    3Cl; c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3
    CC3)OC(F)F; Clc3c(NC(=O)c2ccc(OC(F)F)c(O
    CC1CC1)c2)c(Cl)cnc3    		 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE;
    ROFLUMILAST
    35877 ROG 1 C17 H24 N4 S2 InChI=1S/C17H24N4S2/c1-21
    -8-4-5-11(9-21)10-22-17-1
    9-15(18)14-12-6-2-3-7-13(
    12)23-16(14)20-17/h11H,2-
    10H2,1H3,(H2,18,19,20)/t1
    1-/m0/s1;
    JTFCZCDNOWUZNN-NSHDSACASA-N    		 CN1CCC[CH](CSc2nc(N)c3c(sc4CCCCc34)n2)C1
    ; CN1CCCC(C1)CSc2nc(c3c4c(sc3n2)CCCC4)N;
    CN1CCC[C@@H](C1)CSc2nc(c3c4c(sc3n2)CCCC
    4)N; CN1CCC[C@H](CSc2nc(N)c3c(sc4CCCCc34
    )n2)C1; C1CCC(CN1C)CSc2nc(c3c(n2)sc4c3CC
    CC4)N    		 2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
    35878 ROI
    DB02278
    ZINC000012501824    		 2 C8 H11 N5 O2 InChI=1S/C8H11N5O2/c1-8(2
    )6(15)10-3-4(13-8)11-7(9)
    12-5(3)14/h1-2H3,(H,10,15
    )(H4,9,11,12,13,14);
    JMLQSLXEUWNWFI-UHFFFAOYSA-N    		 CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C; CC1(C)N
    C2=C(N=C1O)C(=O)NC(=N2)N; O=C1C=2N=C(O)C
    (NC=2N=C(N1)N)(C)C    		 7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN
    35879 ROJ 2 C15 H22 Cl N5 O12 P2 InChI=1S/C15H22ClN5O12P2/
    c16-6-1-29-7(10(6)22)2-30
    -34(25,26)33-35(27,28)31-
    3-8-11(23)12(24)15(32-8)2
    1-5-20-9-13(17)18-4-19-14
    (9)21/h4-8,10-12,15,22-24
    H,1-3H2,(H,25,26)(H,27,28
    )(H2,17,18,19)/t6-,7-,8-,
    10+,11-,12-,15-/m1/s1;
    JYKQNUHEQVWWJW-WFCIOUKESA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OCC4C(C(CO4)Cl)O)O)O)N; Nc1ncnc2
    n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=
    O)OC[CH]4OC[CH](Cl)[CH]4O)[CH](O)[CH]3O;
    C1(COC(C1O)COP(OP(O)(=O)OCC2C(C(C(O2)n3
    c4c(nc3)c(N)ncn4)O)O)(=O)O)Cl; Nc1ncnc2n
    (cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)
    (=O)OC[C@H]4OC[C@@H](Cl)[C@@H]4O)[C@@H](
    O)[C@H]3O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H
    ]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[
    C@@H]4[C@H]([C@@H](CO4)Cl)O)O)O)N    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
    35880 ROK
    CHEMBL497689
    DB08484
    ZINC000038990438    		 8 C9 H13 N3 O3 S2 InChI=1S/C9H13N3O3S2/c10-
    7-1-3-8(4-2-7)17(14,15)12
    -9(13)11-5-6-16/h1-4,16H,
    5-6,10H2,(H2,11,12,13);
    LHVDNDIAMJOEKH-UHFFFAOYSA-N    		 c1cc(ccc1N)S(=O)(=O)NC(=O)NCCS; Nc1ccc(c
    c1)[S](=O)(=O)NC(=O)NCCS; O=S(=O)(c1ccc(
    N)cc1)NC(=O)NCCS    		 4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE
    35881 ROL
    CHEMBL430893
    DB04149
    ZINC000000004982    		 26 C16 H21 N O3 InChI=1S/C16H21NO3/c1-19-
    14-7-6-11(12-9-16(18)17-1
    0-12)8-15(14)20-13-4-2-3-
    5-13/h6-8,12-13H,2-5,9-10
    H2,1H3,(H,17,18)/t12-/m0/
    s1;
    HJORMJIFDVBMOB-LBPRGKRZSA-N    		 COc1ccc(cc1OC2CCCC2)[C@@H]3CNC(=O)C3; CO
    c1ccc(cc1OC2CCCC2)C3CC(=O)NC3; COc1ccc(c
    c1OC2CCCC2)[C@H]3CC(=O)NC3; COc1ccc(cc1O
    C2CCCC2)[CH]3CNC(=O)C3; O=C3NCC(c2cc(OC1
    CCCC1)c(OC)cc2)C3    		 ROLIPRAM;
    (4R)-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]-2-PYRROLIDINONE
    35882 ROM
    DB03933    		 1 C43 H45 Cl N3 O13 InChI=1S/C43H44ClN3O13/c1
    -19-39(52)46-33-25(15-22(
    54-6)16-30(33)56-19)40(53
    )57-31-18-55-32(49)17-28(
    45)21-13-27(44)36(29(48)1
    4-21)58-38-23-10-9-20(31)
    12-24(23)26-8-7-11-43(26,
    38)60-41-35(51)34(50)37(4
    7(4)5)42(2,3)59-41/h7-16,
    28,31,34-35,37-38,41,48,5
    0-51H,1,17-18,45H2,2-6H3,
    (H,46,52)/p+1/t28-,31-,34
    -,35+,37-,38+,41-,43+/m0/
    s1;
    SAWXMTQYIIZWNU-RGEBLUSTSA-O    		 CC1(C(C(C(C(O1)OC23C=CC=C2c4cc5ccc4C3Oc6
    c(cc(cc6Cl)C(CC(=O)OCC5OC(=O)c7cc(cc8c7N
    C(=O)C(=C)O8)OC)[NH3+])O)O)O)N(C)C)C; CO
    c1cc2OC(=C)C(=O)Nc2c(c1)C(=O)O[CH]3COC(=
    O)C[CH]([NH3+])c4cc(O)c(O[CH]5c6ccc3cc6C
    7=CC=C[C]57O[CH]8OC(C)(C)[CH]([CH](O)[CH
    ]8O)N(C)C)c(Cl)c4; COc1cc2OC(=C)C(=O)Nc2
    c(c1)C(=O)O[C@H]3COC(=O)C[C@H]([NH3+])c4
    cc(O)c(O[C@@H]5c6ccc3cc6C7=CC=C[C@]57O[C
    @@H]8OC(C)(C)[C@H]([C@@H](O)[C@H]8O)N(C)
    C)c(Cl)c4; CC1([C@H]([C@H]([C@H]([C@@H](
    O1)O[C@]23C=CC=C2c4cc5ccc4[C@H]3Oc6c(cc(
    cc6Cl)[C@H](CC(=O)OC[C@@H]5OC(=O)c7cc(cc
    8c7NC(=O)C(=C)O8)OC)[NH3+])O)O)O)N(C)C)C
    ; O=C2C(\Oc1cc(OC)cc(c1N2)C(=O)OC6c8cc7C
    4=CC=CC4(OC3OC(C(N(C)C)C(O)C3O)(C)C)C(Oc
    5c(O)cc(cc5Cl)C([NH3+])CC(=O)OC6)c7cc8)=
    C    		 C-1027 AROMATIZED CHROMOPHORE
    35883 RON 0 C5 H11 N O2 InChI=1/C5H11NO2/c1-2-3-4
    (6)5(7)8/h4H,2-3,6H2,1H3,
    (H,7,8)/t4-/m0/s1/f/h7H;
    SNDPXSYFESPGGJ-XWEZEGGSDX    		 CCC[CH](N)C(O)=O; CCC[C@H](N)C(O)=O; CCC
    [C@@H](C(=O)O)N; O=C(O)C(N)CCC; CCCC(C(=
    O)O)N    		 NORVALINE
    35884 ROO 1 C17 H14 N4 O3 InChI=1S/C17H14N4O3/c1-9-
    12(17(22)23)6-10(24-9)7-1
    8-15-14-11-4-2-3-5-13(11)
    21-16(14)20-8-19-15/h2-6,
    8H,7H2,1H3,(H,22,23)(H2,1
    8,19,20,21);
    XCWBRJUZKURZCA-UHFFFAOYSA-N    		 OC(=O)c1cc(CNc2ncnc3[NH]c4ccccc4c32)oc1C
    ; Cc1c(cc(o1)CNc2c3c4ccccc4[nH]c3ncn2)C(
    =O)O; Cc1oc(CNc2ncnc3[nH]c4ccccc4c23)cc1
    C(O)=O    		 2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid
    35885 ROP
    CHEMBL1235716
    DB04161
    ZINC000001670847    		 16 C3 H7 N O InChI=1S/C3H7NO/c1-2-3(4)
    5/h2H2,1H3,(H2,4,5);
    QLNJFJADRCOGBJ-UHFFFAOYSA-N    		 O=C(N)CC; CCC(=O)N; CCC(N)=O PROPIONAMIDE
    35886 ROQ 3 C6 H8 O5 InChI=1S/C6H8O5/c1-3(2-4(
    7)8)5(9)6(10)11/h3H,2H2,1
    H3,(H,7,8)(H,10,11)/t3-/m
    0/s1;
    BJQIUPTURRAODO-VKHMYHEASA-N    		 C[CH](CC(O)=O)C(=O)C(O)=O; C[C@@H](CC(O)
    =O)C(=O)C(O)=O; CC(CC(=O)O)C(=O)C(=O)O;
    C[C@@H](CC(=O)O)C(=O)C(=O)O    		 (3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid
    35887 ROR
    ZINC000002531049    		 2 C5 H10 O5 InChI=1S/C5H10O5/c6-1-3(8
    )5(10)4(9)2-7/h1,3-5,7-10
    H,2H2/t3-,4+,5-/m1/s1;
    PYMYPHUHKUWMLA-MROZADKFSA-N    		 O=CC(O)C(O)C(O)CO; C([C@@H]([C@@H]([C@@H
    ](C=O)O)O)O)O; OC[CH](O)[CH](O)[CH](O)C=
    O; OC[C@H](O)[C@H](O)[C@H](O)C=O; C(C(C(
    C(C=O)O)O)O)O    		 L-ribose
    35888 ROS
    CHEMBL1235717
    ZINC000008577555    		 0 C23 H23 N2 O InChI=1S/C23H23N2O/c1-24(
    2)17-10-12-19-21(14-17)26
    -22-15-18(25(3)4)11-13-20
    (22)23(19)16-8-6-5-7-9-16
    /h5-15H,1-4H3/q+1;
    NGSXFKKYKWBNPO-UHFFFAOYSA-N    		 O2c1cc(ccc1C(=C3C2=CC(=[N+](/C)C)\C=C3)c
    4ccccc4)N(C)C; CN(C)c1ccc2c(c1)OC3=CC(=[
    N+](C)C)C=CC3=C2c4ccccc4; CN(C)c1ccc2c(O
    C3=CC(C=CC3=C2c4ccccc4)=[N+](C)C)c1    		 N,N'-TETRAMETHYL-ROSAMINE;
    (6-DIMETHYLAMINO-9-PHENYL-XANTHEN-3-YLIDENE)-DIMETHYL-AMMONIUM
    35889 ROU
    CHEMBL3990077
    ZINC000095920648    		 2 C15 H10 F6 N2 O4 InChI=1S/C15H10F6N2O4/c16
    -14(17,18)7-3-6(4-8(5-7)1
    5(19,20)21)1-2-9-10(12(25
    )26)22-13(27)23-11(9)24/h
    3-5H,1-2H2,(H,25,26)(H2,2
    2,23,24,27);
    STCWNIVPPBDNGW-UHFFFAOYSA-N    		 OC(=O)C1=C(CCc2cc(cc(c2)C(F)(F)F)C(F)(F)
    F)C(=O)NC(=O)N1; O=C1NC(C(=O)O)=C(C(=O)N
    1)CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F; c1c(cc
    (cc1C(F)(F)F)C(F)(F)F)CCC2=C(NC(=O)NC2=O
    )C(=O)O    		 5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
    35890 ROV
    CHEMBL46423
    DB16254    		 8 C27 H39 N3 O InChI=1S/C27H39N3O/c1-19(
    2)23-10-9-11-24(20(3)4)25
    (23)29-26(31)28-18-27(16-
    7-8-17-27)21-12-14-22(15-
    13-21)30(5)6/h9-15,19-20H
    ,7-8,16-18H2,1-6H3,(H2,28
    ,29,31);
    PKKNCEXEVUFFFI-UHFFFAOYSA-N    		 CC(C)c1cccc(c1NC(=O)NCC2(CCCC2)c3ccc(cc3
    )N(C)C)C(C)C; C(C)(C)c1c(c(C(C)C)ccc1)NC
    (=O)NCC2(CCCC2)c3ccc(cc3)N(C)C; CC(C)c1c
    ccc(C(C)C)c1NC(=O)NCC2(CCCC2)c3ccc(cc3)N
    (C)C    		 nevanimibe;
    N-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-N'-[2,6-di(propan-2-yl)phenyl]urea
    35891 ROX
    CHEMBL1214185
    ZINC000096006016    		 0 C41 H76 N2 O15 InChI=1S/C41H76N2O15/c1-1
    5-29-41(10,49)34(45)24(4)
    31(42-53-21-52-17-16-50-1
    3)22(2)19-39(8,48)36(58-3
    8-32(44)28(43(11)12)18-23
    (3)54-38)25(5)33(26(6)37(
    47)56-29)57-30-20-40(9,51
    -14)35(46)27(7)55-30/h22-
    30,32-36,38,44-46,48-49H,
    15-21H2,1-14H3/b42-31+/t2
    2-,23-,24+,25+,26-,27+,28
    +,29-,30+,32-,33+,34-,35+
    ,36-,38+,39-,40-,41-/m1/s
    1;
    RXZBMPWDPOLZGW-XMRMVWPWSA-N    		 CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(O
    C)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[C
    H](C)C[CH]([CH]3O)N(C)C)[C](C)(O)C[CH](C
    )C(=NOCOCCOC)[CH](C)[CH](O)[C]1(C)O; CCC
    1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)
    C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)
    C)N(C)C)O)(C)O)C)C)O)(C)O; CC[C@@H]1[C@@
    ]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C
    @@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)
    O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)
    C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)
    O)(C)O)C)C)O)(C)O; CC[C@H]1OC(=O)[C@H](C
    )[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@
    H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)
    C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](
    C)C(=N\OCOCCOC)/[C@H](C)[C@@H](O)[C@]1(C
    )O; O=C3OC(CC)C(O)(C)C(O)C(\C(=N\OCOCCOC
    )C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(
    OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C    		 ROXITHROMYCIN
    35892 ROY 1 C17 H20 Cl2 N4 O InChI=1S/C17H20Cl2N4O/c18
    -11-7-12(16(20)24)22-17-1
    3(11)14(19)15(10-1-2-10)2
    3(17)8-9-3-5-21-6-4-9/h7,
    9-10,21H,1-6,8H2,(H2,20,2
    4);
    LYLJXIKZRAZYFB-UHFFFAOYSA-N    		 c1c(c2c(c(n(c2nc1C(=O)N)CC3CCNCC3)C4CC4)
    Cl)Cl; C1C(C1)c2n(c3c(c2Cl)c(Cl)cc(n3)C(
    =O)N)CC4CCNCC4; NC(=O)c1cc(Cl)c2c(Cl)c(C
    3CC3)n(CC4CCNCC4)c2n1    		 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
    35893 ROZ 1 C18 H14 Cl N3 O2 InChI=1S/C18H14ClN3O2/c19
    -14-3-1-2-11(6-14)7-17(23
    )22-16-10-21-9-13-5-4-12(
    18(20)24)8-15(13)16/h1-6,
    8-10H,7H2,(H2,20,24)(H,22
    ,23);
    IODVSEDZYFGXPU-UHFFFAOYSA-N    		 Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(N)=
    O; c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cc(cc3)
    C(=O)N; NC(=O)c1ccc2cncc(NC(=O)Cc3cccc(C
    l)c3)c2c1    		 4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide
    35894 RP0 1 C13 H10 Br N3 O4 S InChI=1S/C13H10BrN3O4S/c1
    -7-12(5-11(21-7)13(16)18)
    22(19,20)17-9-2-3-10(14)8
    (4-9)6-15/h2-5,17H,1H3,(H
    2,16,18);
    KCUXIGLONPMWPT-UHFFFAOYSA-N    		 Cc1c(cc(o1)C(=O)N)S(=O)(=O)Nc2ccc(c(c2)C
    #N)Br; Cc1oc(cc1[S](=O)(=O)Nc2ccc(Br)c(c
    2)C#N)C(N)=O; O=S(=O)(Nc1cc(C#N)c(Br)cc1
    )c1cc(oc1C)C(N)=O    		 4-[(4-bromo-3-cyanophenyl)sulfamoyl]-5-methylfuran-2-carboxamide
    35895 RP1
    CHEMBL1235719
    DB01790
    ZINC000014806300    		 2 C10 H12 N5 O5 P S InChI=1S/C10H12N5O5PS/c11
    -8-5-9(13-2-12-8)15(3-14-
    5)10-6(16)7-4(19-10)1-18-
    21(17,22)20-7/h2-4,6-7,10
    ,16H,1H2,(H,17,22)(H2,11,
    12,13)/t4-,6-,7-,10-,21-/
    m1/s1;
    SMPNJFHAPJOHPP-PUHOFUEYSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@
    H](O3)CO[P@@](=S)(O4)O)O)N; S=P3(OCC4OC(
    n1c2ncnc(N)c2nc1)C(O)C4O3)O; Nc1ncnc2n(c
    nc12)[CH]3O[CH]4CO[P](O)(=S)O[CH]4[CH]3O
    ; c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=S)(O
    4)O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4
    CO[P@@](O)(=S)O[C@H]4[C@H]3O    		 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL;
    RP-ADENOSINE-3',5'-CYCLIC-MONOPHOSPHOROTHIOATE
    35896 RP2 1 C10 H11 Br N5 O5 P S InChI=1S/C10H11BrN5O5PS/c
    11-10-15-4-7(12)13-2-14-8
    (4)16(10)9-5(17)6-3(20-9)
    1-19-22(18,23)21-6/h2-3,5
    -6,9,17H,1H2,(H,18,23)(H2
    ,12,13,14)/t3-,5-,6-,9-,2
    2-/m1/s1;
    RBORURQQJIQWBS-KVBUDSETSA-N    		 Nc1ncnc2n([C@@H]3O[C@@H]4CO[P@@](O)(=S)O
    [C@H]4[C@H]3O)c(Br)nc12; Brc2nc1c(ncnc1n
    2C4OC3COP(=S)(OC3C4O)O)N; Nc1ncnc2n([CH]
    3O[CH]4CO[P](O)(=S)O[CH]4[CH]3O)c(Br)nc1
    2; c1nc(c2c(n1)n(c(n2)Br)C3C(C4C(O3)COP(
    =S)(O4)O)O)N; c1nc(c2c(n1)n(c(n2)Br)[C@H
    ]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O
    )O)N    		 (2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide;
    8-Bromoadenosine-3',5'-cyclic monophosphorothioate
    35897 RP3
    ZINC000033801661    		 2 C5 H11 O7 P InChI=1S/C5H11O7P/c6-4-1-
    3(12-5(4)7)2-11-13(8,9)10
    /h3-7H,1-2H2,(H2,8,9,10)/
    t3-,4+,5+/m0/s1;
    OOLHLHJSMUTTHE-VPENINKCSA-N    		 O[C@@H]1C[C@@H](CO[P](O)(O)=O)O[C@H]1O;
    C1[C@H](O[C@H]([C@@H]1O)O)COP(=O)(O)O; O
    P(O)(=O)OCC1OC(C(C1)O)O; O[CH]1C[CH](CO[
    P](O)(O)=O)O[CH]1O; C1C(OC(C1O)O)COP(=O)
    (O)O    		 3-deoxy-5-O-phosphono-beta-D-ribofuranose;
    3'-deoxy-D-ribofuranose-5'-phosphate;
    3-deoxy-5-O-phosphono-beta-D-ribose;
    3-deoxy-5-O-phosphono-D-ribose;
    3-deoxy-5-O-phosphono-ribose
    35898 RP4
    DB08485
    ZINC000016051897    		 14 C19 H18 O5 S InChI=1S/C19H18O5S/c20-16
    -11-19(24,18(22)23)10-15(
    17(16)21)12-5-4-8-14(9-12
    )25-13-6-2-1-3-7-13/h1-10
    ,16-17,20-21,24H,11H2,(H,
    22,23)/t16-,17-,19+/m1/s1;
    QMNMNSINKIFYBV-LMMKCTJWSA-N    		 O=C(O)C3(O)C=C(c2cccc(Sc1ccccc1)c2)C(O)C
    (O)C3; c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C
    @H]([C@@H]3O)O)(C(=O)O)O; c1ccc(cc1)Sc2c
    ccc(c2)C3=CC(CC(C3O)O)(C(=O)O)O; O[C@@H]
    1C[C@@](O)(C=C([C@H]1O)c2cccc(Sc3ccccc3)
    c2)C(O)=O; O[CH]1C[C](O)(C=C([CH]1O)c2cc
    cc(Sc3ccccc3)c2)C(O)=O    		 (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
    35899 RP5
    CHEMBL1235722
    DB04352
    ZINC000004228241    		 41 C5 H11 O8 P InChI=1S/C5H11O8P/c6-3-2(
    1-12-14(9,10)11)13-5(8)4(
    3)7/h2-8H,1H2,(H2,9,10,11
    )/t2-,3-,4-,5-/m1/s1;
    KTVPXOYAKDPRHY-TXICZTDVSA-N    		 O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;
    C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP
    (=O)(O)O; C(C1C(C(C(O1)O)O)O)OP(=O)(O)O;
    O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[
    C@H]1O; O=P(O)(O)OCC1OC(O)C(O)C1O    		 5-O-phosphono-beta-D-ribofuranose;
    [(2R,3S,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE;
    5-O-phosphono-beta-D-ribose;
    5-O-phosphono-D-ribose;
    5-O-phosphono-ribose
    35900 RP6
    CHEMBL1235723
    ZINC000058649677    		 1 C14 H21 N O8 InChI=1S/C14H21NO8/c1-3-4
    -7-10(19)9(15-6(2)17)13(1
    1(20)8(18)5-16)23-12(7)14
    (21)22/h3,8-11,13,16,18-2
    0H,1,4-5H2,2H3,(H,15,17)(
    H,21,22)/t8-,9-,10+,11-,1
    3-/m1/s1;
    OXBQHTTZDDRTNB-BZNQNGANSA-N    		 CC(=O)N[C@@H]1[C@@H](O)C(=C(O[C@H]1[C@H]
    (O)[C@H](O)CO)C(O)=O)CC=C; CC(=O)NC1C(C(
    =C(OC1C(C(CO)O)O)C(=O)O)CC=C)O; O=C(O)C=
    1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1C/C=C; C
    C(=O)N[C@@H]1[C@H](C(=C(O[C@H]1C([C@@H](
    CO)O)O)C(=O)O)CC=C)O; CC(=O)N[CH]1[CH](O
    )C(=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O)CC=C    		 5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid;
    5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid
    35901 RP7
    CHEMBL4743456    		 2 C6 H11 N O InChI=1S/C6H11NO/c1-7-4-2
    -3-6(8)5-7/h2-3,6,8H,4-5H
    2,1H3/t6-/m0/s1;
    GLDHZKQYHDFALD-LURJTMIESA-N    		 CN1CC=C[C@@H](C1)O; CN1CC=C[C@H](O)C1; C
    N1CC=C[CH](O)C1; CN1CC=CC(C1)O    		 (3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol
    35902 RP8
    ZINC000263620433    		 0 C10 H11 N3 InChI=1S/C10H11N3/c11-6-7
    -2-1-3-9-8(7)4-5-10(12)13
    -9/h1-5H,6,11H2,(H2,12,13
    );
    FRAGPLZAQYPMFF-UHFFFAOYSA-N    		 c1cc(c2ccc(nc2c1)N)CN; NCc1cccc2nc(N)ccc
    12; n1c(ccc2c(cccc12)CN)N    		 5-(aminomethyl)quinolin-2-amine
    35903 RP9
    CHEMBL4558806
    ZINC000009304019    		 6 C16 H13 Br N4 O2 InChI=1S/C16H13BrN4O2/c17
    -11-5-6-14(18-9-11)20-15(
    22)7-8-21-10-19-13-4-2-1-
    3-12(13)16(21)23/h1-6,9-1
    0H,7-8H2,(H,18,20,22);
    FGODKUDXJWXULG-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)N(C=N2)CCC(=O)Nc3ccc(cn3
    )Br; Brc1ccc(NC(=O)CCN2C=Nc3ccccc3C2=O)n
    c1    		 ~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide
    35904 RPA 10 C46 H66 O7 InChI=1S/C46H66O7/c1-34(2
    )18-12-20-36(4)22-14-25-3
    8(6)27-16-30-40(32-47)29-
    11-10-19-35(3)21-13-23-37
    (5)24-15-26-39(7)28-17-31
    -46(8,9)53-45-44(51)43(50
    )42(49)41(33-48)52-45/h10
    -16,18-27,29-30,41-45,47-
    51H,17,28,31-33H2,1-9H3/b
    11-10+,20-12?,21-13+,24-1
    5+,25-14+,30-16+,35-19+,3
    6-22+,37-23+,38-27+,39-26
    +,40-29-/t41-,42-,43+,44-
    ,45+/m1/s1;
    KKQLCQBTEUVHBX-DSGXVNCLSA-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)CO)C)C)C; CC(C)=CC=CC(C)=CC=CC(C)=
    CC=CC(CO)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CC
    CC(C)(C)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH
    ]1O; CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C
    (CO)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/
    CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@
    H](O)[C@H]1O; O(C(CCCC(=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)CO)C)C)\C)(C)C)C1OC(C(O)C(O)C1O)
    CO; CC(=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)/CCCC(C)(
    C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO
    )O)O)O)/CO)/C)/C)C    		 RHODOPINAL GLUCOSIDE
    35905 RPB
    CHEMBL1173055
    DB12332
    ZINC000000025958    		 12 C19 H18 F N3 O InChI=1S/C19H18FN3O/c1-21
    -10-11-2-4-12(5-3-11)18-1
    4-6-7-22-19(24)15-8-13(20
    )9-16(23-18)17(14)15/h2-5
    ,8-9,21,23H,6-7,10H2,1H3,
    (H,22,24);
    HMABYWSNWIZPAG-UHFFFAOYSA-N    		 Fc4cc2c1c(nc(c1CCNC2=O)c3ccc(cc3)CNC)c4;
    CNCc1ccc(cc1)c2[nH]c3cc(F)cc4C(=O)NCCc2
    c34; CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)
    C(=O)NCC3    		 Rucaparib
    35906 RPC 0 C9 H15 N3 O11 P2 InChI=1S/C9H15N3O11P2/c10
    -5-1-2-12(9(14)11-5)8-6(1
    3)7(23-25(18,19)20)4(22-8
    )3-21-24(15,16)17/h1-2,4,
    6-8,13H,3H2,(H2,10,11,14)
    (H2,15,16,17)(H2,18,19,20
    )/t4-,6-,7-,8-/m1/s1;
    MVGIITUCOOTSAP-XVFCMESISA-N    		 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@
    H](O2)COP(=O)(O)O)OP(=O)(O)O)O; NC1=NC(=
    O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@
    @H](O[P](O)(O)=O)[C@H]2O; C1=CN(C(=O)N=C
    1N)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)O)O;
    O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2
    OP(=O)(O)O; NC1=NC(=O)N(C=C1)[CH]2O[CH](
    CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]2O    		 cytidine 3',5'-bis(dihydrogen phosphate)
    35907 RPD
    DB02666
    ZINC000031976939    		 1 C13 H22 N3 O13 P InChI=1S/C13H22N3O13P/c17
    -5-16(24)6(10(20)21)2-1-3
    -15-11(22)13(14-12(15)23)
    9(19)8(18)7(29-13)4-28-30
    (25,26)27/h6-9,17-19,24H,
    1-5H2,(H,14,23)(H,20,21)(
    H2,25,26,27)/t6-,7-,8-,9-
    ,13+/m1/s1;
    MAXSFYCTFIBEAR-OJMIUMIFSA-N    		 OCN(O)[C@H](CCCN1C(=O)N[C@@]2(O[C@H](CO[
    P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O)C(O)=O;
    OCN(O)[CH](CCCN1C(=O)N[C]2(O[CH](CO[P](
    O)(O)=O)[CH](O)[CH]2O)C1=O)C(O)=O; C(CC(
    C(=O)O)N(CO)O)CN1C(=O)C2(C(C(C(O2)COP(=O
    )(O)O)O)O)NC1=O; C(C[C@H](C(=O)O)[N@](CO
    )O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2
    )COP(=O)(O)O)O)O)NC1=O; O=C(O)C(N(O)CO)C
    CCN2C(=O)C1(OC(C(O)C1O)COP(=O)(O)O)NC2=O    		 (C8-R)-HYDANTOCIDIN 5'-PHOSPHATE;
    [8,9-DIHYDROXY-3-(4-CARBOXY-HYDROXY-HYDROXYMETHYL-AMINO-BUTYL)-2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.4]NON-7-YLMETHYL] PHOSPHATE
    35908 RPF
    CHEMBL434956
    ZINC000053267789    		 2 C31 H37 N3 O5 InChI=1S/C31H37N3O5/c1-36
    -30-8-3-2-6-24(30)21-37-1
    6-5-17-38-27-13-10-25(11-
    14-27)34-26(19-32-20-31(3
    4)35)22-39-28-12-9-23-7-4
    -15-33-29(23)18-28/h2-3,6
    ,8-14,18,26,32-33H,4-5,7,
    15-17,19-22H2,1H3/t26-/m0
    /s1;
    JXFXZCANEQOOHW-SANMLTNESA-N    		 COc1ccccc1COCCCOc2ccc(cc2)N3[C@@H](CNCC3
    =O)COc4ccc5CCCNc5c4; O=C5N(c2ccc(OCCCOCc
    1ccccc1OC)cc2)C(COc4ccc3c(NCCC3)c4)CNC5;
    COc1ccccc1COCCCOc2ccc(cc2)N3C(CNCC3=O)C
    Oc4ccc5c(c4)NCCC5; COc1ccccc1COCCCOc2ccc
    (cc2)N3[C@@H](CNCC3=O)COc4ccc5c(c4)NCCC5
    ; COc1ccccc1COCCCOc2ccc(cc2)N3[CH](CNCC3
    =O)COc4ccc5CCCNc5c4    		 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE
    35909 RPG
    CHEMBL1084644
    ZINC000004096507    		 2 C20 H32 O4 InChI=1S/C20H32O4/c1-2-3-
    6-9-17(21)14-12-16-13-15-
    19(22)18(16)10-7-4-5-8-11
    -20(23)24/h12-18,21H,2-11
    H2,1H3,(H,23,24)/b14-12+/
    t16-,17-,18+/m0/s1;
    BGKHCLZFGPIKKU-LDDQNKHRSA-N    		 CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O; CC
    CCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCC
    CCCC(O)=O; CCCCC[C@@H](/C=C/[C@H]1C=CC(=
    O)[C@@H]1CCCCCCC(=O)O)O; CCCCC[CH](O)C=C
    [CH]1C=CC(=O)[CH]1CCCCCCC(O)=O    		 (13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid;
    PROSTAGLANDIN A1 (PGA1)
    35910 RPH
    ZINC000033821507    		 0 C9 H15 N O2 InChI=1S/C9H15NO2/c11-5-7
    -3-6-1-2-8(12)4-9(6)10-7/
    h5-10,12H,1-4H2/t6-,7-,8+
    ,9-/m0/s1;
    KEECRFMFXJKBLP-MAUMQABQSA-N    		 C1CC(CC2C1CC(N2)C=O)O; C1C[C@H](C[C@H]2[
    C@@H]1C[C@H](N2)C=O)O; O[CH]1CC[CH]2C[CH
    ](N[CH]2C1)C=O; O=CC1NC2CC(O)CCC2C1; O[C
    @@H]1CC[C@H]2C[C@H](N[C@H]2C1)C=O    		 6-HYDROXO-OCTAHYDRO-INDOLE-2-CARBALDEHYDE
    35911 RPI
    ZINC000001530092    		 8 C6 H15 N4 O5 P InChI=1S/C6H15N4O5P/c7-4(
    5(11)12)2-1-3-9-6(8)10-16
    (13,14)15/h4H,1-3,7H2,(H,
    11,12)(H5,8,9,10,13,14,15
    )/t4-/m0/s1;
    CCTIOCVIZPCTGO-BYPYZUCNSA-N    		 N[C@@H](CCCNC(=N)N[P](O)(O)=O)C(O)=O; [H
    ]/N=C(/NCCC[C@@H](C(=O)O)N)\NP(=O)(O)O;
    N[CH](CCCNC(=N)N[P](O)(O)=O)C(O)=O; C(CC
    (C(=O)O)N)CNC(=N)NP(=O)(O)O    		 phospho-arginine
    35912 RPJ 2 C21 H18 F N3 O3 InChI=1S/C21H18FN3O3/c22-
    15-7-9-16(10-8-15)25-20(1
    8(13-24-25)21(26)27)28-11
    -3-4-14-12-23-19-6-2-1-5-
    17(14)19/h1-2,5-10,12-13,
    23H,3-4,11H2,(H,26,27);
    HECYVAQVQUQMCB-UHFFFAOYSA-N    		 c4cc(n1c(c(C(O)=O)cn1)OCCCc2cnc3ccccc23)
    ccc4F; c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c
    4ccc(cc4)F)C(=O)O; OC(=O)c1cnn(c2ccc(F)c
    c2)c1OCCCc3c[nH]c4ccccc34    		 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid
    35913 RPK 1 C19 H16 Cl N3 O2 InChI=1S/C19H16ClN3O2/c1-
    12(24)22-16-6-5-14-10-21-
    11-18(17(14)9-16)23-19(25
    )8-13-3-2-4-15(20)7-13/h2
    -7,9-11H,8H2,1H3,(H,22,24
    )(H,23,25);
    CKGZDMAYPZCRDY-UHFFFAOYSA-N    		 Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)NC(C)
    =O; CC(=O)Nc1ccc2cncc(NC(=O)Cc3cccc(Cl)c
    3)c2c1; CC(=O)Nc1ccc2cncc(c2c1)NC(=O)Cc3
    cccc(c3)Cl    		 N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
    35914 RPL
    DB04460
    ZINC000033821508    		 1 C13 H22 N3 O13 P InChI=1S/C13H22N3O13P/c17
    -5-16(24)6(10(20)21)2-1-3
    -15-11(22)13(14-12(15)23)
    9(19)8(18)7(29-13)4-28-30
    (25,26)27/h6-9,17-19,24H,
    1-5H2,(H,14,23)(H,20,21)(
    H2,25,26,27)/t6-,7+,8+,9+
    ,13-/m0/s1;
    MAXSFYCTFIBEAR-FUIMDIGMSA-N    		 OCN(O)[C@@H](CCCN1C(=O)N[C@@]2(O[C@H](CO
    [P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O)C(O)=O
    ; OCN(O)[CH](CCCN1C(=O)N[C]2(O[CH](CO[P]
    (O)(O)=O)[CH](O)[CH]2O)C1=O)C(O)=O; C(CC
    (C(=O)O)N(CO)O)CN1C(=O)C2(C(C(C(O2)COP(=
    O)(O)O)O)O)NC1=O; C(C[C@@H](C(=O)O)[N@](
    CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](
    O2)COP(=O)(O)O)O)O)NC1=O; O=C(O)C(N(O)CO
    )CCCN2C(=O)C1(OC(C(O)C1O)COP(=O)(O)O)NC2
    =O    		 (C8-S)-HYDANTOCIDIN 5'-PHOSPHATE;
    [8,9-DIHYDROXY-3-(4-CARBOXY-HYDROXY-HYDROXYMETHYL-AMINO-BUTYL)-2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.4]NON-7-YLMETHYL] PHOSPHATE
    35915 RPM 2 C22 H21 N3 O3 InChI=1S/C22H21N3O3/c1-15
    -9-10-20-18(12-15)16(13-2
    3-20)6-5-11-28-21-19(22(2
    6)27)14-24-25(21)17-7-3-2
    -4-8-17/h2-4,7-10,12-14,2
    3H,5-6,11H2,1H3,(H,26,27);
    MVRSNUITEJHBIY-UHFFFAOYSA-N    		 Cc1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccccc
    4)C(=O)O; Cc1ccc2[nH]cc(CCCOc3n(ncc3C(O)
    =O)c4ccccc4)c2c1; C(COc2n(c1ccccc1)ncc2C
    (O)=O)Cc4cnc3ccc(cc34)C    		 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid
    35916 RPN
    DB04472    		 4 C8 H8 N4 O3 InChI=1S/C8H8N4O3/c9-11-1
    0-5-8(13)6-1-3-7(4-2-6)12
    (14)15/h1-4,8,13H,5H2/t8-
    /m0/s1;
    DHEGJYKMZJGYGW-QMMMGPOBSA-N    		 O[C@@H](CN=[N+]=[N-])c1ccc(cc1)[N+]([O-]
    )=O; O[CH](CN=[N+]=[N-])c1ccc(cc1)[N+]([
    O-])=O; c1cc(ccc1C(CN=[N+]=[N-])O)[N+](=
    O)[O-]; c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N
    +](=O)[O-]; [O-][N+](=O)c1ccc(cc1)C(O)C/
    N=[N+]=[N-]    		 (R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHANOL
    35917 RPO
    ZINC000098209374    		 0 C30 H51 N5 O14 InChI=1S/C30H51N5O14/c31-
    7-14-20(39)21(40)17(34)28
    (44-14)48-26-16(9-37)46-3
    0(23(26)42)49-27-19(38)12
    (32)6-13(33)24(27)47-29-1
    8(35)22(41)25(15(8-36)45-
    29)43-10-11-4-2-1-3-5-11/
    h1-5,12-30,36-42H,6-10,31
    -35H2/t12-,13+,14+,15-,16
    -,17-,18-,19+,20-,21-,22-
    ,23-,24-,25-,26-,27-,28-,
    29-,30+/m1/s1;
    DRHDMQJFWDZMND-JCNXQQRHSA-N    		 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H
    ](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H
    ]3O[C@H]4O[C@H](CO)[C@@H](OCc5ccccc5)[C@
    H](O)[C@H]4N)[C@@H]2O)[C@H](N)[C@@H](O)[
    C@@H]1O; NC[CH]1O[CH](O[CH]2[CH](CO)O[CH
    ](O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]
    4O[CH](CO)[CH](OCc5ccccc5)[CH](O)[CH]4N)
    [CH]2O)[CH](N)[CH](O)[CH]1O; O(C3C(OC2OC
    (CO)C(OCc1ccccc1)C(O)C2N)C(N)CC(N)C3O)C5
    OC(C(OC4OC(CN)C(O)C(O)C4N)C5O)CO; c1ccc(
    cc1)COC2C(OC(C(C2O)N)OC3C(CC(C(C3OC4C(C(
    C(O4)CO)OC5C(C(C(C(O5)CN)O)O)N)O)O)N)N)C
    O; c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@
    H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]
    ([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)
    O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN
    )O)O)N)O)O)N)N)CO    		 (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranoside
    35918 RPP
    DB02416
    ZINC000033821509    		 1 C10 H14 I N5 O4 InChI=1S/C10H14IN5O4/c11-
    7-4-8(12)13-2-14-9(4)16(1
    5-7)10-6(19)5(18)3(1-17)2
    0-10/h2-3,5-7,10,15,17-19
    H,1H2,(H2,12,13,14)/t3-,5
    -,6-,7+,10-/m1/s1;
    IPMOTTQXPAXTMS-CKVFBBIQSA-N    		 Nc1ncnc2N(N[C@H](I)c12)[C@@H]3O[C@H](CO)
    [C@@H](O)[C@H]3O; Nc1ncnc2N(N[CH](I)c12)
    [CH]3O[CH](CO)[CH](O)[CH]3O; c1nc(c2c(n1
    )N(NC2I)C3C(C(C(O3)CO)O)O)N; IC2c1c(ncnc
    1N(N2)C3OC(C(O)C3O)CO)N; c1nc(c2c(n1)N(N
    C2I)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)
    N    		 2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
    35919 RPQ 1 C6 H10 N4 O3 InChI=1S/C6H10N4O3/c1-2-3
    (11)4(12)5(13)6-7-8-9-10(
    2)6/h2-5,11-13H,1H3/t2-,3
    -,4+,5+/m0/s1;
    RGTARVZVTUMUSY-QMKXCQHVSA-N    		 CC1C(C(C(c2n1nnn2)O)O)O; C[C@H]1[C@@H]([
    C@H]([C@H](c2n1nnn2)O)O)O; C[CH]1[CH](O)
    [CH](O)[CH](O)c2nnnn12; C[C@H]1[C@H](O)[
    C@@H](O)[C@@H](O)c2nnnn12    		 D-rhamnopyranose tetrazole
    35920 RPR
    CHEMBL48046
    DB04424
    ZINC000003815583    		 2 C27 H30 N4 O3 InChI=1S/C27H30N4O3/c1-17
    (24(27(33)34-2)15-18-5-3-
    8-23(13-18)25(29)30)31-26
    (32)21-11-9-20(10-12-21)2
    2-7-4-6-19(14-22)16-28/h3
    -14,17,24H,15-16,28H2,1-2
    H3,(H3,29,30)(H,31,32)/t1
    7-,24-/m1/s1;
    XFKVLKLCLYJKNF-MZNJEOGPSA-N    		 CC(C(Cc1cccc(c1)C(=N)N)C(=O)OC)NC(=O)c2c
    cc(cc2)c3cccc(c3)CN; COC(=O)[C@H](Cc1ccc
    c(c1)C(N)=N)[C@@H](C)NC(=O)c2ccc(cc2)c3c
    ccc(CN)c3; C[C@H]([C@@H](Cc1cccc(c1)C(=N
    )N)C(=O)OC)NC(=O)c2ccc(cc2)c3cccc(c3)CN;
    COC(=O)[CH](Cc1cccc(c1)C(N)=N)[CH](C)NC
    (=O)c2ccc(cc2)c3cccc(CN)c3; O=C(OC)C(Cc1
    cc(C(=[N@H])N)ccc1)C(NC(=O)c3ccc(c2cccc(
    c2)CN)cc3)C    		 3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER;
    RPR128515
    35921 RPS 1 C20 H19 N2 O3 Ru S3 InChI=1S/C13H7N2O2.C6H12S
    3.CO.Ru/c16-12-9-5-4-8(7-
    10(9)13(17)15-12)11-3-1-2
    -6-14-11;1-2-8-5-6-9-4-3-
    7-1;1-2;/h1-3,5-7H,(H,15,
    16,17);1-6H2;;/q;;+1;;
    WXCRGLMCKGBQGT-UHFFFAOYSA-N    		 c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S
    ]6CC7)C#[O+])C=CC=C4)C(=O)NC2=O; O=C1NC(
    =O)c2cc(c([Ru]C#[O+])cc12)c3ccccn3.C4CSC
    CSCCS4; O=C2c1cc7c(cc1C(=O)N2)c3ccccn3[R
    u]675(C#[O+])S4CCS6CCS5CC4    		 PHTALIMIDE-RUTHENIUM COMPLEX
    35922 RPT
    CHEMBL1660
    DB01201
    ZINC000169621228    		 5 C47 H64 N4 O12 InChI=1S/C47H64N4O12/c1-2
    4-13-12-14-25(2)46(59)49-
    37-32(23-48-51-20-18-50(1
    9-21-51)31-15-10-11-16-31
    )41(56)34-35(42(37)57)40(
    55)29(6)44-36(34)45(58)47
    (8,63-44)61-22-17-33(60-9
    )26(3)43(62-30(7)52)28(5)
    39(54)27(4)38(24)53/h12-1
    4,17,22-24,26-28,31,33,38
    -39,43,53-57H,10-11,15-16
    ,18-21H2,1-9H3,(H,49,59)/
    b13-12+,22-17+,25-14-,48-
    23+/t24-,26+,27+,28+,33-,
    38-,39+,43+,47-/m0/s1;
    WDZCUPBHRAEYDL-GZAUEHORSA-N    		 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)[C
    H](C)[CH](OC(C)=O)[CH]1C)C)c(C=NN5CCN(CC
    5)C6CCCC6)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)C6CCCC6)C)C)O)C)
    O)C)OC(=O)C)C)OC)C)O; 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\N5CCN(CC5)C6CCCC6)\C)
    C)O)C)O)C)OC(=O)C)C)OC)C)O; O=C5c6c3c(O)
    c(\C=N\N2CCN(C1CCCC1)CC2)c4c(O)c3c(O)c(c
    6OC5(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C(C)C(
    O)C(C=CC=C(C(=O)N4)C)C)C)C)C; 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(CC5)C6CCCC6)c(O)c4c3C2=O    		 RIFAPENTINE;
    (2R,16S,17R,18R,19R,20S,21S,22S,23S)-8-{[(4-CYCLOPENTYLPIPERAZIN-1-YL)IMINO]METHYL}-5,6,9,17,19-PENTAHYDROXY-23-METHOXY -2,4,12,16,18,20,22-HEPTAMETHYL-1,11-DIOXO-1,2-DIHYDRO-2,7-(EPOXYPENTADECA[1,11,13]TRIENOIMINO)NAPHTHO[2,1-B]FURAN-21-YL ACETATE;
    3-(((4-CYCLOPENTYL-1-PIPERAZINYL)IMINO)METHYL)RIFAMYCIN
    35923 RPU 1 C18 H19 N O6 InChI=1S/C18H19NO6/c1-11(
    7-13-3-2-6-23-13)18(22)19
    -14(9-17(20)21)12-4-5-15-
    16(8-12)25-10-24-15/h2-6,
    8,11,14H,7,9-10H2,1H3,(H,
    19,22)(H,20,21)/t11-,14-/
    m1/s1;
    UYBDWJKXHXPRQV-BXUZGUMPSA-N    		 C[C@H](Cc1ccco1)C(=O)N[C@H](CC(=O)O)c2cc
    c3c(c2)OCO3; C[CH](Cc1occc1)C(=O)N[CH](C
    C(O)=O)c2ccc3OCOc3c2; C[C@H](Cc1occc1)C(
    =O)N[C@H](CC(O)=O)c2ccc3OCOc3c2; CC(Cc1c
    cco1)C(=O)NC(CC(=O)O)c2ccc3c(c2)OCO3; CC
    (Cc1ccco1)C(=O)NC(CC(=O)O)c1ccc2OCOc2c1    		 (3R)-3-(2H-1,3-benzodioxol-5-yl)-3-[(2R)-3-(furan-2-yl)-2-methylpropanamido]propanoic acid
    35924 RPV 2 C21 H18 N4 O3 InChI=1S/C21H18N4O3/c26-1
    9(11-10-14-12-22-18-9-5-4
    -8-16(14)18)24-20-17(21(2
    7)28)13-23-25(20)15-6-2-1
    -3-7-15/h1-9,12-13,22H,10
    -11H2,(H,24,26)(H,27,28);
    QMJGNSVNJWLCNN-UHFFFAOYSA-N    		 OC(=O)c1cnn(c2ccccc2)c1NC(=O)CCc3c[nH]c4
    ccccc34; c1ccc(cc1)n2c(c(cn2)C(=O)O)NC(=
    O)CCc3c[nH]c4c3cccc4; c1cc(ccc1)n2ncc(C(
    O)=O)c2NC(CCc4c3c(cccc3)nc4)=O    		 5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid
    35925 RPW
    CHEMBL5175040
    ZINC000049029609    		 6 C15 H15 N5 O S2 InChI=1S/C15H15N5OS2/c1-9
    -4-3-5-12(17-9)19-15-18-1
    1(8-22-15)6-13(21)20-14-1
    6-7-10(2)23-14/h3-5,7-8H,
    6H2,1-2H3,(H,16,20,21)(H,
    17,18,19);
    QMRBCNQCRMTXBE-UHFFFAOYSA-N    		 Cc1sc(NC(=O)Cc2csc(Nc3cccc(C)n3)n2)nc1;
    Cc1cccc(n1)Nc2nc(cs2)CC(=O)Nc3ncc(s3)C    		 2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide
    35926 RPX
    ZINC000263620712    		 0 C52 H77 N O13 InChI=1S/C52H77NO13/c1-11
    -64-43-29-39-22-20-37(8)5
    2(61,66-39)49(58)50(59)53
    -24-16-15-19-40(53)51(60)
    65-44(34(5)27-38-21-23-41
    (54)45(28-38)62-9)30-42(5
    5)33(4)26-36(7)47(57)48(6
    3-10)46(56)35(6)25-31(2)1
    7-13-12-14-18-32(43)3/h12
    -14,17-18,21,23,28,31,33-
    37,39-40,43-44,47-48,54,5
    7,61H,11,15-16,19-20,22,2
    4-27,29-30H2,1-10H3/b14-1
    2+,17-13+,32-18+/t31-,33-
    ,34-,35-,36+,37-,39+,40+,
    43+,44+,47-,48+,52-/m1/s1;
    LMDKAEWBVKHXMN-NPIHNTSJSA-N    		 CCOC1CC2CCC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O
    )OC(CC(=O)C(CC(C(C(C(=O)C(CC(C=CC=CC=C1C
    )C)C)OC)O)C)C)C(C)Cc4ccc(c(c4)OC)O)O)C;
    CCO[C@H]/1C[C@@H]2CC[C@H]([C@@](O2)(C(=O
    )C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@
    @H](CC([C@H]([C@H](C(=O)[C@@H](C[C@@H](\
    C=C\C=C\C=C1/C)C)C)OC)O)C)C)[C@H](C)Cc4c
    cc(c(c4)OC)O)O)C; CCO[C@H]\1C[C@@H]2CC[C
    @@H](C)[C@@](O)(O2)C(=O)C(=O)N3CCCC[C@H]
    3C(=O)O[C@@H](CC(=O)[C@H](C)C[C@H](C)[C@
    @H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C
    =C/C=C/C=C\1C)[C@H](C)Cc4ccc(O)c(OC)c4;
    O=C2C(C)CC(C=CC=CC=C(C)C(OCC)CC4OC(O)(C(
    =O)C(=O)N3C(C(=O)OC(C(C)Cc1ccc(O)c(OC)c1
    )CC(=O)C(C)CC(C)C(O)C2OC)CCCC3)C(CC4)C)C
    ; CCO[CH]1C[CH]2CC[CH](C)[C](O)(O2)C(=O)
    C(=O)N3CCCC[CH]3C(=O)O[CH](CC(=O)[CH](C)
    C[CH](C)[CH](O)[CH](OC)C(=O)[CH](C)C[CH]
    (C)C=CC=CC=C1C)[CH](C)Cc4ccc(O)c(OC)c4    		 C16-ETHOXY-RAPAMYCIN,IMMUNOSUPPRESSANT DRUG;
    RAPX
    35927 RPZ 4 C24 H23 Cl N4 O2 InChI=1S/C24H23ClN4O2/c1-
    26-22(30)14-28-13-17-6-7-
    18(25)10-20(17)24(15-28)8
    -9-29(23(24)31)21-12-27-1
    1-16-4-2-3-5-19(16)21/h2-
    7,10-12H,8-9,13-15H2,1H3,
    (H,26,30)/t24-/m1/s1;
    KZHDXVVSRJEQJU-XMMPIXPASA-N    		 CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cnc
    c3ccccc32)C1; CNC(=O)CN1Cc2ccc(cc2C3(C1)
    CCN(C3=O)c4cncc5c4cccc5)Cl; CNC(=O)CN1Cc
    2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5
    )Cl; CNC(=O)CN1Cc2ccc(Cl)cc2[C@@]3(CCN(C
    3=O)c4cncc5ccccc45)C1; CNC(=O)CN1Cc2ccc(
    Cl)cc2[C]3(CCN(C3=O)c4cncc5ccccc45)C1    		 2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
    35928 RQ0 5 C58 H85 N O3 InChI=1S/C58H85NO3/c1-43(
    2)23-14-24-44(3)25-15-26-
    45(4)27-16-28-46(5)29-17-
    30-47(6)31-18-32-48(7)33-
    19-34-49(8)35-20-36-50(9)
    37-21-38-51(10)39-22-40-5
    2(11)41-42-54-53(12)56(60
    )55(59)58(62-13)57(54)61/
    h20-21,23,25,27,29,31,33,
    35-39,41H,14-19,22,24,26,
    28,30,32,34,40,42,59H2,1-
    13H3/b36-20+,38-21+,44-25
    +,45-27+,46-29+,47-31+,48
    -33+,49-35+,50-37+,51-39+
    ,52-41+;
    WXESXKLCRFKYIR-NBYUNPNPSA-N    		 CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CC/C
    =C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C
    )/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=
    C(\C)/CCC=C(C)C; CC1=C(C(=O)C(=C(C1=O)N)
    OC)CC=C(C)CCC=C(C)C=CC=C(C)C=CC=C(C)CCC=
    C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=
    C(C)C; COC1=C(N)C(=O)C(=C(CC=C(C)CCC=C(C
    )C=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C
    (C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1=O)C; COC
    1=C(N)C(=O)C(=C(C/C=C(C)/CC/C=C(C)/C=C/C
    =C(C)/C=C/C=C(C)/CC\C=C(C)\CC/C=C(C)/CC\
    C=C(C)\CC\C=C(C)\CC\C=C(C)\CCC=C(C)C)C1=
    O)C    		 2-azanyl-5-[(2~{E},6~{E},8~{E},10~{E},12~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione
    35929 RQ1 2 C22 H21 N3 O3 InChI=1S/C22H21N3O3/c26-2
    2(27)19-15-24-25(17-9-2-1
    -3-10-17)21(19)28-13-7-6-
    8-16-14-23-20-12-5-4-11-1
    8(16)20/h1-5,9-12,14-15,2
    3H,6-8,13H2,(H,26,27);
    AETXYNJTNADCGV-UHFFFAOYSA-N    		 c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCCc3c[nH]c
    4c3cccc4; OC(=O)c1cnn(c2ccccc2)c1OCCCCc3
    c[nH]c4ccccc34; c1cccc(c1)n2c(c(C(O)=O)c
    n2)OCCCCc4c3ccccc3nc4    		 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid
    35930 RQ2 2 C9 H16 N5 O13 P3 InChI=1S/C9H16N5O13P3/c10
    -9-12-7-6(8(16)13-9)11-3-
    14(7)4-24-5(1-15)2-25-29(
    20,21)27-30(22,23)26-28(1
    7,18)19/h3,5,15H,1-2,4H2,
    (H,20,21)(H,22,23)(H2,17,
    18,19)(H3,10,12,13,16)/t5
    -/m1/s1;
    OBABDJMYPMAQEP-RXMQYKEDSA-N    		 NC1=Nc2n(CO[CH](CO)CO[P](O)(=O)O[P](O)(=
    O)O[P](O)(O)=O)cnc2C(=O)N1; NC1=Nc2n(CO[
    C@H](CO)CO[P](O)(=O)O[P](O)(=O)O[P](O)(O
    )=O)cnc2C(=O)N1; c1nc2c(n1COC(CO)COP(=O)
    (O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N; c1nc
    2c(n1CO[C@H](CO)COP(=O)(O)OP(=O)(O)OP(=O
    )(O)O)N=C(NC2=O)N    		 Ganciclovir triphosphate;
    [[(2~{R})-2-[(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    35931 RQ3
    CHEMBL18901
    DB08486
    ZINC000001481819    		 12 C20 H23 N O4 InChI=1S/C20H23NO4/c1-13-
    9-14(2)11-16(10-13)21-18(
    22)12-15-5-7-17(8-6-15)25
    -20(3,4)19(23)24/h5-11H,1
    2H2,1-4H3,(H,21,22)(H,23,
    24);
    BNFRJXLZYUTIII-UHFFFAOYSA-N    		 O=C(O)C(Oc1ccc(cc1)CC(=O)Nc2cc(cc(c2)C)C
    )(C)C; Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C
    )(C)C(=O)O)C; Cc1cc(C)cc(NC(=O)Cc2ccc(OC
    (C)(C)C(O)=O)cc2)c1    		 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID
    35932 RQ4
    CHEMBL1455726
    ZINC000004276654    		 1 C17 H11 F3 N2 O2 S InChI=1S/C17H11F3N2O2S/c1
    -9-11(7-12(16(23)24)14(21
    -9)17(18,19)20)15-22-13(8
    -25-15)10-5-3-2-4-6-10/h2
    -8H,1H3,(H,23,24);
    AXBBYZUKIKQBNR-UHFFFAOYSA-N    		 Cc1c(cc(c(n1)C(F)(F)F)C(=O)O)c2nc(cs2)c3
    ccccc3; Cc1nc(c(cc1c2scc(n2)c3ccccc3)C(O
    )=O)C(F)(F)F; Cc1c(cc(C(O)=O)c(n1)C(F)(F
    )F)c3scc(c2ccccc2)n3    		 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
    35933 RQ5 6 C21 H30 N6 O3 InChI=1S/C21H30N6O3/c1-4-
    16(12-29)24-21-25-19(18-2
    0(26-21)27(13-23-18)14(2)
    3)22-11-15-5-7-17(8-6-15)
    30-10-9-28/h5-8,13-14,16,
    28-29H,4,9-12H2,1-3H3,(H2
    ,22,24,25,26)/t16-/m1/s1;
    AFLLXNOWMGJTAA-MRXNPFEDSA-N    		 CC[CH](CO)Nc1nc(NCc2ccc(OCCO)cc2)c3ncn(C
    (C)C)c3n1; CC[C@H](CO)Nc1nc(c2c(n1)n(cn2
    )C(C)C)NCc3ccc(cc3)OCCO; CC[C@H](CO)Nc1n
    c(NCc2ccc(OCCO)cc2)c3ncn(C(C)C)c3n1; CCC
    (CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3
    )OCCO    		 2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
    35934 RQ6 1 C22 H18 Cl F N4 O3 InChI=1S/C22H18ClFN4O3/c1
    -25-20(29)11-28-10-18(17-
    7-13(23)2-4-16(17)22(28)3
    1)21(30)27-19-9-26-8-12-6
    -14(24)3-5-15(12)19/h2-9,
    18H,10-11H2,1H3,(H,25,29)
    (H,27,30)/t18-/m1/s1;
    VVKKILAVDZOKCI-GOSISDBHSA-N    		 CNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cn
    cc4c3ccc(c4)F; CNC(=O)CN1C[C@H](c2cc(ccc
    2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4)F; CNC(=O
    )CN1C[C@@H](C(=O)Nc2cncc3cc(F)ccc23)c4cc
    (Cl)ccc4C1=O; Fc1ccc2c(c1)cncc2NC(=O)C1C
    N(CC(=O)NC)C(=O)c2ccc(Cl)cc21; CNC(=O)CN
    1C[CH](C(=O)Nc2cncc3cc(F)ccc23)c4cc(Cl)c
    cc4C1=O    		 (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35935 RQ7
    CHEMBL3910958    		 2 C32 H25 N7 O3 S InChI=1S/C32H25N7O3S/c40-
    30(37-32-35-26-6-1-2-7-27
    (26)43-32)24-5-3-4-21-12-
    15-38(19-25(21)24)28-9-8-
    23(29(36-28)31(41)42)22-1
    6-34-39(18-22)17-20-10-13
    -33-14-11-20/h1-11,13-14,
    16,18H,12,15,17,19H2,(H,4
    1,42)(H,35,37,40);
    WBCFKELVKOCTOB-UHFFFAOYSA-N    		 c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c
    5ccc(c(n5)C(=O)O)c6cnn(c6)Cc7ccncc7; OC(
    =O)c1nc(ccc1c2cnn(Cc3ccncc3)c2)N4CCc5ccc
    c(C(=O)Nc6sc7ccccc7n6)c5C4; N4(c1nc(c(cc
    1)c2cn(nc2)Cc3ccncc3)C(=O)O)Cc5c(CC4)ccc
    c5C(=O)Nc6nc7c(s6)cccc7    		 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid
    35936 RQ8 1 C16 H14 Br F2 N3 O3 InChI=1S/C16H14BrF2N3O3/c
    1-16(18,19)11-4-10(6-21-7
    -11)14(23)22-13(15(24)25)
    3-9-2-12(17)8-20-5-9/h2,4
    -8,13H,3H2,1H3,(H,22,23)(
    H,24,25)/t13-/m0/s1;
    SWEUDKUVJIPKFX-ZDUSSCGKSA-N    		 Brc1cc(CC(NC(=O)c2cc(cnc2)C(C)(F)F)C(=O)
    O)cnc1; CC(F)(F)c1cncc(c1)C(=O)N[C@@H](C
    c2cncc(Br)c2)C(O)=O; CC(c1cc(cnc1)C(=O)N
    [C@@H](Cc2cc(cnc2)Br)C(=O)O)(F)F; CC(c1c
    c(cnc1)C(=O)NC(Cc2cc(cnc2)Br)C(=O)O)(F)F
    ; CC(F)(F)c1cncc(c1)C(=O)N[CH](Cc2cncc(B
    r)c2)C(O)=O    		 3-(5-bromopyridin-3-yl)-N-[5-(1,1-difluoroethyl)pyridine-3-carbonyl]-L-alanine
    35937 RQ9 6 C22 H27 Cl N8 O InChI=1S/C22H27ClN8O/c1-4
    -16(12-32)26-22-27-20(19-
    21(28-22)30(13-25-19)14(2
    )3)24-11-17-8-9-31(29-17)
    18-7-5-6-15(23)10-18/h5-1
    0,13-14,16,32H,4,11-12H2,
    1-3H3,(H2,24,26,27,28)/t1
    6-/m1/s1;
    XQOCHZAMFJBROM-MRXNPFEDSA-N    		 CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccn(
    n3)c4cccc(c4)Cl; CC[CH](CO)Nc1nc(NCc2ccn
    (n2)c3cccc(Cl)c3)c4ncn(C(C)C)c4n1; CC[C@
    H](CO)Nc1nc(NCc2ccn(n2)c3cccc(Cl)c3)c4nc
    n(C(C)C)c4n1; CC[C@H](CO)Nc1nc(c2c(n1)n(
    cn2)C(C)C)NCc3ccn(n3)c4cccc(c4)Cl    		 (2~{R})-2-[[6-[[1-(3-chlorophenyl)pyrazol-3-yl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
    35938 RQA
    ZINC000061947659    		 1 C9 H13 N3 O8 S InChI=1S/C9H13N3O8S/c10-5
    -1-2-12(9(15)11-5)8-7(14)
    6(13)4(20-8)3-19-21(16,17
    )18/h1-2,4,6-8,13-14H,3H2
    ,(H2,10,11,15)(H,16,17,18
    )/t4-,6-,7-,8-/m1/s1;
    GSRRMZKNGWBOAT-XVFCMESISA-N    		 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COS(=O)(=O)O
    )O)O; C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@
    H]([C@H](O2)COS(=O)(=O)O)O)O; NC1=NC(=O)
    N(C=C1)[C@@H]2O[C@H](CO[S](O)(=O)=O)[C@@
    H](O)[C@H]2O; NC1=NC(=O)N(C=C1)[CH]2O[CH
    ](CO[S](O)(=O)=O)[CH](O)[CH]2O; C1(N=C(N
    )C=CN1C2C(O)C(C(COS(=O)(=O)O)O2)O)=O    		 5'-O-sulfocytidine
    35939 RQB 2 C17 H19 N3 O2 InChI=1S/C17H19N3O2/c1-19
    -10-11(12-5-2-3-6-14(12)1
    9)9-13-17(22)20-8-4-7-15(
    20)16(21)18-13/h2-3,5-6,1
    0,13,15H,4,7-9H2,1H3,(H,1
    8,21)/t13-,15-/m0/s1;
    MAIUHPJZIUPKLB-ZFWWWQNUSA-N    		 Cn1cc(C[CH]2NC(=O)[CH]3CCCN3C2=O)c4ccccc
    14; Cn1cc(CC2NC(=O)C3CCCN3C2=O)c2ccccc21
    ; Cn1cc(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)c
    4ccccc14; Cn1cc(c2c1cccc2)CC3C(=O)N4CCCC
    4C(=O)N3; Cn1cc(c2c1cccc2)C[C@H]3C(=O)N4
    CCC[C@H]4C(=O)N3    		 (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
    35940 RQC 1 C14 H17 N5 O4 InChI=1S/C14H17N5O4/c1-18
    -12-9(6-15-18)13(21)17-10
    (16-12)2-3-11(20)19-5-4-8
    (7-19)14(22)23/h6,8H,2-5,
    7H2,1H3,(H,22,23)(H,16,17
    ,21)/t8-/m1/s1;
    DQMGMSFESKLRGX-MRVPVSSYSA-N    		 Cn1c2c(cn1)C(=O)NC(=N2)CCC(=O)N3CC[C@H](
    C3)C(=O)O; Cn1ncc2C(=O)NC(=Nc12)CCC(=O)N
    3CC[C@H](C3)C(O)=O; Cn1c2c(cn1)C(=O)NC(=
    N2)CCC(=O)N3CCC(C3)C(=O)O; Cn1ncc2C(=O)N
    C(=Nc12)CCC(=O)N3CC[CH](C3)C(O)=O; O=C(O
    )C1CCN(C1)C(=O)CCC1=Nc2c(cnn2C)C(=O)N1    		 (3R)-1-[3-(1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoyl]pyrrolidine-3-carboxylic acid
    35941 RQD
    ZINC000031969754    		 4 C10 H12 F N O2 InChI=1S/C10H12FNO2/c1-14
    -10(13)9(12)6-7-2-4-8(11)
    5-3-7/h2-5,9H,6,12H2,1H3/
    t9-/m0/s1;
    NCSHKOSBEYDZFY-VIFPVBQESA-N    		 COC(=O)[CH](N)Cc1ccc(F)cc1; COC(=O)[C@@H
    ](N)Cc1ccc(F)cc1; COC(=O)[C@H](Cc1ccc(cc
    1)F)N; c1(ccc(F)cc1)CC(N)C(OC)=O; COC(=O
    )C(Cc1ccc(cc1)F)N    		 methyl 4-fluoro-L-phenylalaninate
    35942 RQE 6 C21 H22 N10 O InChI=1S/C21H22N10O/c1-29
    -12-14(10-24-29)31-13-23-
    18-19(22-11-17-25-15-4-2-
    3-5-16(15)26-17)27-21(28-
    20(18)31)30-6-8-32-9-7-30
    /h2-5,10,12-13H,6-9,11H2,
    1H3,(H,25,26)(H,22,27,28);
    JFGZKHLBVCENSW-UHFFFAOYSA-N    		 Cn1cc(cn1)n2cnc3c(NCc4[nH]c5ccccc5n4)nc(
    nc23)N6CCOCC6; Cn1cc(cn1)n2cnc3c2nc(nc3N
    Cc4[nH]c5ccccc5n4)N6CCOCC6    		 ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine
    35943 RQF 1 C24 H22 Cl F N4 O3 InChI=1S/C24H22ClFN4O3/c1
    -2-7-28-22(31)13-30-12-20
    (19-9-15(25)3-5-18(19)24(
    30)33)23(32)29-21-11-27-1
    0-14-8-16(26)4-6-17(14)21
    /h3-6,8-11,20H,2,7,12-13H
    2,1H3,(H,28,31)(H,29,32)/
    t20-/m1/s1;
    GHTWIRSPUGHMTO-HXUWFJFHSA-N    		 CCCNC(=O)CN1C[CH](C(=O)Nc2cncc3cc(F)ccc2
    3)c4cc(Cl)ccc4C1=O; CCCNC(=O)CN1C[C@H](c
    2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4)F;
    CCCNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc
    3cncc4c3ccc(c4)F; Fc1ccc2c(c1)cncc2NC(=O
    )C1CN(CC(=O)NCCC)C(=O)c2ccc(Cl)cc21; CCC
    NC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc(F)ccc23
    )c4cc(Cl)ccc4C1=O    		 (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35944 RQG
    ZINC000008028739    		 1 C11 H10 O3 InChI=1S/C11H10O3/c1-7-2-
    3-10-9(4-7)8(6-14-10)5-11
    (12)13/h2-4,6H,5H2,1H3,(H
    ,12,13);
    DUMCTHVOZLFMDK-UHFFFAOYSA-N    		 Cc1ccc2occ(CC(O)=O)c2c1; Cc1ccc2c(c1)c(c
    o2)CC(=O)O; C(Cc2c1cc(C)ccc1oc2)(O)=O    		 (5-methyl-1-benzofuran-3-yl)acetic acid
    35945 RQH
    ZINC000000000164    		 1 C15 H17 Cl N2 O2 InChI=1S/C15H17ClN2O2/c1-
    15(2,3)13(19)14(18-9-8-17
    -10-18)20-12-6-4-11(16)5-
    7-12/h4-10,14H,1-3H3/t14-
    /m0/s1;
    OWEGWHBOCFMBLP-AWEZNQCLSA-N    		 CC(C)(C)C(=O)C(n1ccnc1)Oc2ccc(cc2)Cl; CC
    (C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)n2ccnc2;
    CC(C)(C)C(=O)[CH](Oc1ccc(Cl)cc1)n2ccnc2;
    CC(C)(C)C(=O)[C@@H](n1ccnc1)Oc2ccc(cc2)
    Cl    		 (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one;
    Climbazole
    35946 RQI 1 C14 H11 F N4 O3 S InChI=1S/C14H11FN4O3S/c15
    -8-4-10-9(17-6-18-10)3-7(
    8)13(20)16-2-1-12-19-11(5
    -23-12)14(21)22/h3-6H,1-2
    H2,(H,16,20)(H,17,18)(H,2
    1,22);
    MWIHDBPJGZGAQB-UHFFFAOYSA-N    		 OC(=O)c1csc(CCNC(=O)c2cc3nc[nH]c3cc2F)n1
    ; Fc1cc2[NH]cnc2cc1C(=O)NCCc1nc(cs1)C(=O
    )O; c1c(c(cc2c1nc[nH]2)F)C(=O)NCCc3nc(cs
    3)C(=O)O    		 2-{2-[(6-fluoro-1H-benzimidazole-5-carbonyl)amino]ethyl}-1,3-thiazole-4-carboxylic acid
    35947 RQJ 1 C8 H14 N2 O3 InChI=1S/C8H14N2O3/c9-4-1
    -2-6(8(12)13)10-5-3-7(10)
    11/h6H,1-5,9H2,(H,12,13)/
    t6-/m0/s1;
    WVWZICZAWWGULB-LURJTMIESA-N    		 C1CN(C1=O)[C@@H](CCCN)C(=O)O; N1(C(C(=O)
    O)CCCN)C(=O)CC1; NCCC[C@H](N1CCC1=O)C(O)
    =O; C1CN(C1=O)C(CCCN)C(=O)O; NCCC[CH](N1
    CCC1=O)C(O)=O    		 deoxyproclavaminic acid;
    (2S)-5-amino-2-(2-oxoazetidin-1-yl)pentanoic acid
    35948 RQK 2 C20 H29 N5 O9 InChI=1S/C20H29N5O9/c1-8-
    6-12-20(32)34-11(4)18(30)
    23(5)13(14(26)15(21)27)19
    (31)25(33)10(3)16(28)22-9
    (2)17(29)24(12)7-8/h8,10-
    14,26,33H,2,6-7H2,1,3-5H3
    ,(H2,21,27)(H,22,28)/t8-,
    10-,11-,12-,13-,14+/m0/s1;
    OPGOHWRVFNUNKK-GBIYJBALSA-N    		 C[C@H]1C[C@H]2C(=O)O[C@H](C(=O)N([C@H](C
    (=O)N([C@H](C(=O)NC(=C)C(=O)N2C1)C)O)[C@
    H](C(=O)N)O)C)C; C[C@H]1C[C@@H]2N(C1)C(=
    O)C(=C)NC(=O)[C@H](C)N(O)C(=O)[C@H]([C@@
    H](O)C(N)=O)N(C)C(=O)[C@H](C)OC2=O; CC1C
    C2C(=O)OC(C(=O)N(C(C(=O)N(C(C(=O)NC(=C)C
    (=O)N2C1)C)O)C(C(=O)N)O)C)C; C[CH]1C[CH]
    2N(C1)C(=O)C(=C)NC(=O)[CH](C)N(O)C(=O)[C
    H]([CH](O)C(N)=O)N(C)C(=O)[CH](C)OC2=O    		 (2~{R})-2-oxidanyl-2-[(6~{S},9~{S},12~{S},15~{S},17~{S})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide
    35949 RQL 12 C21 H22 Cl2 N10 O InChI=1S/C21H22Cl2N10O/c1
    -3-11(9-34)27-21-30-19(18
    -20(31-21)33(10-25-18)12-
    6-26-32(2)8-12)24-7-17-28
    -15-4-13(22)14(23)5-16(15
    )29-17/h4-6,8,10-11,34H,3
    ,7,9H2,1-2H3,(H,28,29)(H2
    ,24,27,30,31)/t11-/m1/s1;
    QUGBKWYKYATQSZ-LLVKDONJSA-N    		 CC[C@H](CO)Nc1nc(NCc2[nH]c3cc(Cl)c(Cl)cc
    3n2)c4ncn(c5cnn(C)c5)c4n1; CC[C@H](CO)Nc
    1nc(c2c(n1)n(cn2)c3cnn(c3)C)NCc4[nH]c5cc
    (c(cc5n4)Cl)Cl; CC[CH](CO)Nc1nc(NCc2[nH]
    c3cc(Cl)c(Cl)cc3n2)c4ncn(c5cnn(C)c5)c4n1
    ; CCC(CO)Nc1nc(c2c(n1)n(cn2)c3cnn(c3)C)N
    Cc4[nH]c5cc(c(cc5n4)Cl)Cl    		 (2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol
    35950 RQM 33 Fe4 Ni S4 InChI=1S/4Fe.Ni.4S;
    QGLWBXDZIHZONR-UHFFFAOYSA-N    		 [Fe]S[Fe].S1[Fe]S[Ni]S[Fe]1; [S]1([Fe]2[
    S]3[Fe]1[S]4[Fe]3[S]2[Ni]4)[Fe]    		 Fe(3)-Ni(1)-S(4) cluster
    35951 RQN
    CHEMBL2178284
    ZINC000043207055    		 1 C15 H13 F2 N O3 InChI=1S/C15H13F2NO3/c1-2
    -8-6-12(19)14(7-10(8)16)2
    1-13-4-3-9(15(18)20)5-11(
    13)17/h3-7,19H,2H2,1H3,(H
    2,18,20);
    QUHARGDBJJUOEB-UHFFFAOYSA-N    		 CCc1cc(c(cc1F)Oc2ccc(cc2F)C(=O)N)O; CCc1
    cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F    		 4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide
    35952 RQO 1 C20 H18 Cl N3 O2 InChI=1S/C20H18ClN3O2/c1-
    24(2)20(26)14-6-7-15-11-2
    2-12-18(17(15)10-14)23-19
    (25)9-13-4-3-5-16(21)8-13
    /h3-8,10-12H,9H2,1-2H3,(H
    ,23,25);
    CAOMTBMUDFASIS-UHFFFAOYSA-N    		 CN(C)C(=O)c1ccc2cncc(c2c1)NC(=O)Cc3cccc(
    c3)Cl; CN(C)C(=O)c1ccc2cncc(NC(=O)Cc3ccc
    c(Cl)c3)c2c1    		 4-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoquinoline-6-carboxamide
    35953 RQP 1 C15 H19 F N2 O4 InChI=1S/C15H19FN2O4/c1-2
    2-9-7-18-13(20)15(6-8-19,
    17-14(18)21)10-11-2-4-12(
    16)5-3-11/h2-5,19H,6-10H2
    ,1H3,(H,17,21)/t15-/m0/s1;
    LEFBUGONDDVZFX-HNNXBMFYSA-N    		 COCCN1C(=O)N[C](CCO)(Cc2ccc(F)cc2)C1=O;
    COCCN1C(=O)[C@](NC1=O)(CCO)Cc2ccc(cc2)F;
    COCCN1C(=O)N[C@@](CCO)(Cc2ccc(F)cc2)C1=
    O; COCCN1C(=O)C(NC1=O)(CCO)Cc2ccc(cc2)F;
    C(C2(Cc1ccc(cc1)F)C(=O)N(CCOC)C(N2)=O)C
    O    		 (5R)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
    35954 RQQ
    CHEMBL1456597
    ZINC000000414746    		 1 C17 H15 N3 O2 InChI=1S/C17H15N3O2/c1-22
    -14-5-2-12(3-6-14)11-20-1
    7(21)13-4-7-15-16(10-13)1
    9-9-8-18-15/h2-10H,11H2,1
    H3,(H,20,21);
    CQHKQYSHFWCLKE-UHFFFAOYSA-N    		 COc1ccc(CNC(=O)c2ccc3nccnc3c2)cc1; COc1c
    cc(cc1)CNC(=O)c2ccc3c(c2)nccn3; O=C(c1cc
    2nccnc2cc1)NCc3ccc(OC)cc3    		 N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide
    35955 RQR 1 C13 H11 N3 O3 S InChI=1S/C13H11N3O3S/c17-
    11(16-8-2-1-7(5-8)13(18)1
    9)10-9-3-4-20-12(9)15-6-1
    4-10/h1-4,6-8H,5H2,(H,16,
    17)(H,18,19)/t7-,8+/m1/s1;
    QXCOOMUNLBGYCR-SFYZADRCSA-N    		 OC(=O)[C@H]1C[C@@H](NC(=O)c2ncnc3sccc23)
    C=C1; O=C(O)C1C=CC(C1)NC(=O)c1ncnc2sccc1
    2; c1csc2c1c(ncn2)C(=O)NC3CC(C=C3)C(=O)O
    ; c1csc2c1c(ncn2)C(=O)N[C@@H]3C[C@@H](C=
    C3)C(=O)O; OC(=O)[CH]1C[CH](NC(=O)c2ncnc
    3sccc23)C=C1    		 (1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
    35956 RQS
    CHEMBL4789778    		 1 C20 H16 N4 O InChI=1S/C20H16N4O/c25-20
    (16-4-2-1-3-5-16)22-12-14
    -6-8-15(9-7-14)18-17-10-1
    1-21-19(17)24-13-23-18/h1
    -11,13H,12H2,(H,22,25)(H,
    21,23,24);
    ZUWTWEPWXCWEFD-UHFFFAOYSA-N    		 n1cnc(c2c1ncc2)c4ccc(CNC(=O)c3ccccc3)cc4
    ; c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c
    4ncn3; O=C(NCc1ccc(cc1)c2ncnc3[nH]ccc23)
    c4ccccc4    		 N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide
    35957 RQT 4 C16 H15 N3 O InChI=1S/C16H15N3O/c1-2-1
    5(20)19-12-6-3-5-11(9-12)
    14-10-18-16-13(14)7-4-8-1
    7-16/h3-10H,2H2,1H3,(H,17
    ,18)(H,19,20);
    CXHYISUBNJBKTE-UHFFFAOYSA-N    		 CCC(=O)Nc1cccc(c1)c2c[nH]c3ncccc23; CCC(
    =O)Nc1cccc(c1)c2c[nH]c3c2cccn3    		 ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide
    35958 RQU 6 C31 H34 N8 O2 InChI=1S/C31H34N8O2/c1-21
    (2)39-20-36-28-29(34-18-2
    2-11-13-23(14-12-22)25-9-
    6-7-16-32-25)37-31(38-30(
    28)39)35-19-27(40)33-17-1
    5-24-8-4-5-10-26(24)41-3/
    h4-14,16,20-21H,15,17-19H
    2,1-3H3,(H,33,40)(H2,34,3
    5,37,38);
    FAZBCDJEMSESAO-UHFFFAOYSA-N    		 CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)c4ccccn4)
    NCC(=O)NCCc5ccccc5OC; COc1ccccc1CCNC(=O)
    CNc2nc(NCc3ccc(cc3)c4ccccn4)c5ncn(C(C)C)
    c5n2    		 ~{N}-[2-(2-methoxyphenyl)ethyl]-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]ethanamide
    35959 RQV 0 C23 H22 N4 O2 InChI=1S/C23H22N4O2/c1-16
    (28)25-20-5-3-18(4-6-20)2
    2-13-19(15-27-8-10-29-11-
    9-27)21-7-2-17(14-24)12-2
    3(21)26-22/h2-7,12-13H,8-
    11,15H2,1H3,(H,25,28);
    VDYYVNHJRNDKDO-UHFFFAOYSA-N    		 c1(C#N)ccc2c(c1)nc(cc2CN3CCOCC3)c4ccc(NC
    (=O)C)cc4; CC(=O)Nc1ccc(cc1)c2cc(CN3CCOC
    C3)c4ccc(cc4n2)C#N; CC(=O)Nc1ccc(cc1)c2c
    c(c3ccc(cc3n2)C#N)CN4CCOCC4    		 N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide
    35960 RQW 1 C23 H26 N4 O4 S2 InChI=1S/C23H26N4O4S2/c1-
    31-14-16-12-26(13-17-5-2-
    3-10-24-17)23(28)21-7-4-6
    -20(16)27(21)33(29,30)18-
    8-9-19-22(11-18)32-15-25-
    19/h2-3,5,8-11,15-16,20-2
    1H,4,6-7,12-14H2,1H3/t16-
    ,20-,21+/m1/s1;
    CVICEWHMKVUYQU-HBGVWJBISA-N    		 COC[CH]1CN(Cc2ccccn2)C(=O)[CH]3CCC[CH]1N
    3[S](=O)(=O)c4ccc5ncsc5c4; COC[C@H]1CN(C
    c2ccccn2)C(=O)[C@@H]3CCC[C@H]1N3[S](=O)(
    =O)c4ccc5ncsc5c4; COCC1CN(C(=O)C2CCCC1N2
    S(=O)(=O)c3ccc4c(c3)scn4)Cc5ccccn5; COC[
    C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)
    c3ccc4c(c3)scn4)Cc5ccccn5    		 (1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one;
    (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
    35961 RQX
    ZINC000103555753    		 5 C15 H21 N O3 InChI=1S/C15H21NO3/c1-5-6
    -9(2)7-8-11-10(3)13(17)12
    (16)15(19-4)14(11)18/h7H,
    5-6,8,16H2,1-4H3/b9-7+;
    FKFYBWHBXHCWCD-VQHVLOKHSA-N    		 CCCC(=CCC1=C(C(=O)C(=C(C1=O)OC)N)C)C; CC
    C/C(=C/CC1=C(C(=O)C(=C(C1=O)OC)N)C)/C; C
    CCC(/C)=C/CC1=C(C)C(=O)C(=C(OC)C1=O)N; C
    CCC(C)=CCC1=C(C)C(=O)C(=C(OC)C1=O)N; O=C
    1C(=C(C(=O)C(=C1OC)N)C)C\C=C(/C)CCC    		 2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione
    35962 RQY
    CHEMBL5201891    		 4 C23 H29 N3 InChI=1S/C23H29N3/c1-14(2
    )22-20-13-18(17-7-9-24-10
    -8-17)5-6-21(20)26-23(22)
    19-11-15(3)25-16(4)12-19/
    h5-6,11-14,17,24,26H,7-10
    H2,1-4H3;
    XSXCQWXAFRASGU-UHFFFAOYSA-N    		 C1(CCNCC1)c4ccc3nc(c2cc(nc(C)c2)C)c(c3c4
    )C(C)C; Cc1cc(cc(n1)C)c2c(c3cc(ccc3[nH]2
    )C4CCNCC4)C(C)C; CC(C)c1c([nH]c2ccc(cc12
    )C3CCNCC3)c4cc(C)nc(C)c4    		 2-(2,6-dimethylpyridin-4-yl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole
    35963 RQZ 2 C17 H16 N4 O2 InChI=1S/C17H16N4O2/c1-2-
    15(22)21-12-5-3-4-10(6-12
    )14-9-20-17-13(14)7-11(8-
    19-17)16(18)23/h3-9H,2H2,
    1H3,(H2,18,23)(H,19,20)(H
    ,21,22);
    GDAPVGRIYBMGOP-UHFFFAOYSA-N    		 CCC(=O)Nc1cccc(c1)c2c[nH]c3ncc(cc23)C(N)
    =O; CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cc(cn3)
    C(=O)N    		 3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide
    35964 RR0 2 C20 H14 Cl F N2 O2 InChI=1S/C20H14ClFN2O2/c2
    1-12-1-4-18-16(6-12)20(7-
    14(8-20)26-18)19(25)24-17
    -10-23-9-11-5-13(22)2-3-1
    5(11)17/h1-6,9-10,14H,7-8
    H2,(H,24,25)/t14-,20-;
    HANIMTZEYQYKPD-OYOVHJISSA-N    		 Fc1ccc2c(NC(=O)C34CC(C3)Oc5ccc(Cl)cc45)c
    ncc2c1; c1cc2c(cc1F)cncc2NC(=O)C34CC(C3)
    Oc5c4cc(cc5)Cl; Fc1ccc2c(c1)cncc2NC(=O)C
    12CC(C1)Oc1ccc(Cl)cc12    		 (2r,4r)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2,3-dihydro-4H-2,4-methano-1-benzopyran-4-carboxamide
    35965 RR1
    DB03474
    ZINC000014880776    		 1 C19 H16 N8 O10 S3 InChI=1S/C19H16N8O10S3/c2
    0-17-23-18(21)25-19(24-17
    )22-11-7-9(38(29,30)31)5-
    8-6-13(40(35,36)37)15(16(
    28)14(8)11)27-26-10-3-1-2
    -4-12(10)39(32,33)34/h1-7
    ,28H,(H,29,30,31)(H,32,33
    ,34)(H,35,36,37)(H5,20,21
    ,22,23,24,25)/b27-26+;
    LOCFSBZWHQIILX-CYYJNZCTSA-N    		 c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc
    (nc(n4)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=
    O)O; O=S(=O)(O)c4ccccc4/N=N/c2c(O)c1c(cc
    (cc1cc2S(=O)(=O)O)S(=O)(=O)O)Nc3nc(nc(n3
    )N)N; c1ccc(c(c1)N=Nc2c(cc3cc(cc(c3c2O)N
    c4nc(nc(n4)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=
    O)(=O)O; Nc1nc(N)nc(Nc2cc(cc3cc(c(N=Nc4c
    cccc4[S](O)(=O)=O)c(O)c23)[S](O)(=O)=O)[
    S](O)(=O)=O)n1    		 5-(4,6-DIAMINO-[1,3,5]TRIAZIN-2-YLAMINO)-4-HYDROXY-3-(2-SULFO-PHENYLAZO)-NAPHTHALENE-2,7-DISULFONIC ACID;
    REACTIVE RED 1 DYE
    35966 RR2 0 C84 H50 N16 Ru2 InChI=1S/C36H18N8.4C12H8N
    2.2Ru/c1-5-21-29(37-13-1)
    31-23(7-3-15-39-31)35-33(
    21)41-25-11-9-19(17-27(25
    )43-35)20-10-12-26-28(18-
    20)44-36-24-8-4-16-40-32(
    24)30-22(34(36)42-26)6-2-
    14-38-30;4*1-3-9-5-6-10-4
    -2-8-14-12(10)11(9)13-7-1
    ;;/h1-18H;4*1-8H;;;
    BGOYAVNVNFHEQU-UHFFFAOYSA-N    		 [Ru]|1|2|3(|n4cccc5ccc6cccn|1c6c45)(|n7c
    ccc8ccc9cccn|2c9c78)|n%10cccc%11c%10c%12
    n|3cccc%12c%13nc%14cc(ccc%14nc%11%13)c%1
    5ccc%16nc%17c%18cccn%19|[Ru]|%20|%21(|n%
    22cccc%23ccc%24cccn|%20c%24c%22%23)(|n%2
    5cccc%26ccc%27cccn|%21c%27c%25%26)|n%28c
    ccc(c%28c%18%19)c%17nc%16c%15; c1cc2c(cc
    1c3ccc4c(c3)nc5c(n4)C6=CC=C[N]7=C6C8=[N]
    ([Ru]791([N]3=CC=Cc4c3c3c(cc4)C=CC=[N]93
    )[N]3=CC=Cc4c3c3c(cc4)C=CC=[N]13)C=CC=C5
    8)nc1c(n2)C2=CC=C[N]3=C2C2=[N]([Ru]334([
    N]5=CC=Cc6c5c5c(cc6)C=CC=[N]35)[N]3=CC=C
    c5c3c3c(cc5)C=CC=[N]43)C=CC=C12; n2c%14c
    c(ccc%14nc3c%13c%12c1n(cccc1c23)[Ru]%117
    (n6cccc5ccc4cccn7c4c56)(n9c8c%10c(ccc8cc
    c9)cccn%10%11)n%12ccc%13)c%16ccc%15nc%17
    c%20c%19c%18c(c%17nc%15c%16)cccn%18[Ru]%
    24%28(n%19ccc%20)(n%22c%21c%23c(ccc%21cc
    c%22)cccn%23%24)n%26cccc%25ccc%27c(c%25%
    26)n%28ccc%27    		 (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium
    35967 RR3 2 C15 H14 N6 O2 S InChI=1S/C15H14N6O2S/c1-2
    1-14-13(8-19-21)17-10-18-
    15(14)20-24(22,23)9-12-4-
    2-11(3-5-12)6-7-16/h2-5,8
    ,10H,6,9H2,1H3,(H,17,18,2
    0);
    MNVMBEGUZDUKJW-UHFFFAOYSA-N    		 N#CCc1ccc(cc1)CS(=O)(=O)Nc1ncnc2cnn(C)c1
    2; Cn1c2c(cn1)ncnc2NS(=O)(=O)Cc3ccc(cc3)
    CC#N; Cn1ncc2ncnc(N[S](=O)(=O)Cc3ccc(CC#
    N)cc3)c12    		 1-[4-(cyanomethyl)phenyl]-N-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)methanesulfonamide
    35968 RR5 3 C19 H24 Cl2 N2 O5 S InChI=1S/C19H24Cl2N2O5S/c
    1-3-12-10-22(11(2)19(25)2
    6)18(24)17-6-4-5-16(12)23
    (17)29(27,28)15-8-13(20)7
    -14(21)9-15/h7-9,11-12,16
    -17H,3-6,10H2,1-2H3,(H,25
    ,26)/t11-,12-,16+,17-/m0/
    s1;
    NNQRIRRUEIVSQY-NQERCMRGSA-N    		 CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(
    =O)c3cc(cc(c3)Cl)Cl)[C@@H](C)C(=O)O; CCC
    1CN(C(=O)C2CCCC1N2S(=O)(=O)c3cc(cc(c3)Cl
    )Cl)C(C)C(=O)O; CC[C@H]1CN([C@@H](C)C(O)
    =O)C(=O)[C@@H]2CCC[C@H]1N2[S](=O)(=O)c3c
    c(Cl)cc(Cl)c3; CC[CH]1CN([CH](C)C(O)=O)C
    (=O)[CH]2CCC[CH]1N2[S](=O)(=O)c3cc(Cl)cc
    (Cl)c3    		 (2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid;
    (2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)propanoic acid
    35969 RR6
    DB03853    		 1 C35 H25 N9 O22 S6 InChI=1S/C35H25N9O22S6/c4
    5-24-7-1-14(67(49,50)51)9
    -22(24)41-43-28-26(69(55,
    56)57)11-18-16(30(28)47)3
    -5-20(32(18)71(61,62)63)3
    8-34-36-13-37-35(40-34)39
    -21-6-4-17-19(33(21)72(64
    ,65)66)12-27(70(58,59)60)
    29(31(17)48)44-42-23-10-1
    5(68(52,53)54)2-8-25(23)4
    6/h1-13,45-48H,(H,49,50,5
    1)(H,52,53,54)(H,55,56,57
    )(H,58,59,60)(H,61,62,63)
    (H,64,65,66)(H2,36,37,38,
    39,40)/b43-41+,44-42+;
    PJONDRDKCIFXDA-CHQNLTHESA-N    		 O=S(=O)(O)c7cc(/N=N/c2c(O)c1ccc(c(c1cc2S
    (=O)(=O)O)S(=O)(=O)O)Nc3ncnc(n3)Nc4c(c6c
    (cc4)c(O)c(/N=N/c5cc(ccc5O)S(=O)(=O)O)c(
    c6)S(=O)(=O)O)S(=O)(=O)O)c(O)cc7; c1cc(c
    (cc1S(=O)(=O)O)N=Nc2c(cc3c(c2O)ccc(c3S(=
    O)(=O)O)Nc4ncnc(n4)Nc5ccc6c(c5S(=O)(=O)O
    )cc(c(c6O)/N=N/c7cc(ccc7O)S(=O)(=O)O)S(=
    O)(=O)O)S(=O)(=O)O)O; c1cc(c(cc1S(=O)(=O
    )O)N=Nc2c(cc3c(c2O)ccc(c3S(=O)(=O)O)Nc4n
    cnc(n4)Nc5ccc6c(c5S(=O)(=O)O)cc(c(c6O)N=
    Nc7cc(ccc7O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(
    =O)O)O; Oc1ccc(cc1N=Nc2c(O)c3ccc(Nc4ncnc
    (Nc5ccc6c(O)c(N=Nc7cc(ccc7O)[S](O)(=O)=O
    )c(cc6c5[S](O)(=O)=O)[S](O)(=O)=O)n4)c(c
    3cc2[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)
    =O    		 3-HYDROXY-7-(4-{1-[2-HYDROXY-3-(2-HYDROXY-5-SULFO-PHENYLAZO)-BENZYL]-2-SULFO-ETHYLAMINO}-[1,2,5]TRIAZIN-2-YLAMINO)-2-(2-HYDROXY-5-SULFO-PHENYLAZO)-NAPTHALENE-1,8-DISULFONIC ACID;
    AZO-DYE RR6 HAPTEN
    35970 RR7
    CHEMBL2208394
    ZINC000003860329    		 3 C6 H12 O5 InChI=1S/C6H12O5/c7-2-4-6
    (10)3(8)1-5(9)11-4/h3-10H
    ,1-2H2/t3-,4-,5-,6+/m1/s1;
    PMMURAAUARKVCB-KAZBKCHUSA-N    		 C1C(C(C(OC1O)CO)O)O; OC[C@H]1O[C@@H](O)C
    [C@@H](O)[C@@H]1O; OC[CH]1O[CH](O)C[CH](
    O)[CH]1O; C1[C@H]([C@@H]([C@H](O[C@H]1O)
    CO)O)O; C1(CC(O)C(C(CO)O1)O)O    		 2-deoxy-beta-D-arabino-hexopyranose;
    2-deoxy-alpha-D-glucopyranose
    35971 RR8
    CHEMBL1221534
    ZINC000014210918    		 1 C24 H22 Cl F N4 O5 S InChI=1S/C24H22ClFN4O5S/c
    1-36(34,35)29-13-18(23(32
    )27-16-7-5-15(25)6-8-16)1
    9(14-29)24(33)28-21-10-9-
    17(12-20(21)26)30-11-3-2-
    4-22(30)31/h2-12,18-19H,1
    3-14H2,1H3,(H,27,32)(H,28
    ,33)/t18-,19-/m0/s1;
    CUZHVTKMXOGVKA-OALUTQOASA-N    		 C[S](=O)(=O)N1C[CH]([CH](C1)C(=O)Nc2ccc(
    cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)cc4; C[
    S](=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc2ccc
    (cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)cc4; O
    =C(Nc2ccc(N1C=CC=CC1=O)cc2F)C4C(C(=O)Nc3
    ccc(Cl)cc3)CN(S(=O)(=O)C)C4; CS(=O)(=O)N
    1CC(C(C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C
    (=O)Nc4ccc(cc4)Cl; CS(=O)(=O)[N@]1C[C@@H
    ]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O
    )C(=O)Nc4ccc(cc4)Cl    		 (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}
    35972 RR9 6 C23 H28 N8 O2 InChI=1S/C23H28N8O2/c1-4-
    15(12-32)28-23-29-20(19-2
    1(30-23)31(13-26-19)14(2)
    3)25-11-16-8-9-17(22(33)2
    7-16)18-7-5-6-10-24-18/h5
    -10,13-15,32H,4,11-12H2,1
    -3H3,(H,27,33)(H2,25,28,2
    9,30)/t15-/m1/s1;
    ZZMGLCCXIBNSGN-OAHLLOKOSA-N    		 CC[C@H](CO)Nc1nc(NCC2=CC=C(C(=O)N2)c3ccc
    cn3)c4ncn(C(C)C)c4n1; CC[C@H](CO)Nc1nc(c
    2c(n1)n(cn2)C(C)C)NCC3=CC=C(C(=O)N3)c4cc
    ccn4; CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NC
    C3=CC=C(C(=O)N3)c4ccccn4; CC[CH](CO)Nc1n
    c(NCC2=CC=C(C(=O)N2)c3ccccn3)c4ncn(C(C)C
    )c4n1    		 6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one
    35973 RRA
    CHEMBL3263480
    ZINC000032098729    		 0 C3 H5 N InChI=1S/C3H5N/c1-2-3-4/h
    1H,3-4H2;
    JKANAVGODYYCQF-UHFFFAOYSA-N    		 NCC#C; C#CCN prop-2-yn-1-amine
    35974 RRB 2 C22 H27 N5 O9 S InChI=1S/C22H27N5O9S/c23-
    14-6-12(8-28)7-16-18(14)2
    7(10-25-16)22-20(31)19(30
    )17(36-22)9-35-37(33,34)2
    6-21(32)15(24)5-11-1-3-13
    (29)4-2-11/h1-4,6-7,10,15
    ,17,19-20,22,28-31H,5,8-9
    ,23-24H2,(H,26,32)/t15-,1
    7+,19+,20+,22+/m0/s1;
    BKJCUHPLMCZZDC-JZACSSPNSA-N    		 c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]
    2[C@H]([C@H]([C@@H](O2)n3cnc4c3c(cc(c4)C
    O)N)O)O)N)O; N[CH](Cc1ccc(O)cc1)C(=O)N[S
    ](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cn
    c4cc(CO)cc(N)c34; N[C@@H](Cc1ccc(O)cc1)C
    (=O)N[S](=O)(=O)OC[C@H]2O[C@H]([C@H](O)[
    C@@H]2O)n3cnc4cc(CO)cc(N)c34; c1cc(ccc1C
    C(C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3c(
    cc(c4)CO)N)O)O)N)O    		 [(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
    35975 RRC
    CHEMBL14762
    DB06195
    ZINC000001649340    		 9 C19 H26 N6 O InChI=1S/C19H26N6O/c1-4-1
    5(11-26)22-19-23-17(20-10
    -14-8-6-5-7-9-14)16-18(24
    -19)25(12-21-16)13(2)3/h5
    -9,12-13,15,26H,4,10-11H2
    ,1-3H3,(H2,20,22,23,24)/t
    15-/m1/s1;
    BTIHMVBBUGXLCJ-OAHLLOKOSA-N    		 CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)
    c3n1; CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NC
    c3ccccc3; CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)
    C(C)C)NCc3ccccc3; CC[CH](CO)Nc1nc(NCc2cc
    ccc2)c3ncn(C(C)C)c3n1; n1c(c2ncn(c2nc1NC
    (CC)CO)C(C)C)NCc3ccccc3    		 R-ROSCOVITINE
    35976 RRD 1 C24 H21 Cl N4 O4 InChI=1S/C24H21ClN4O4/c25
    -15-5-6-18-19(7-15)20(10-
    29(24(18)32)11-22(30)27-1
    6-12-33-13-16)23(31)28-21
    -9-26-8-14-3-1-2-4-17(14)
    21/h1-9,16,20H,10-13H2,(H
    ,27,30)(H,28,31)/t20-/m1/
    s1;
    BLCZQPHMPCEAIL-HXUWFJFHSA-N    		 O=C(CN1CC(C(=O)Nc2cncc3ccccc32)c2cc(Cl)c
    cc2C1=O)NC1COC1; c1ccc2c(c1)cncc2NC(=O)[
    C@@H]3CN(C(=O)c4c3cc(cc4)Cl)CC(=O)NC5COC
    5; Clc1ccc2C(=O)N(C[CH](C(=O)Nc3cncc4ccc
    cc34)c2c1)CC(=O)NC5COC5; Clc1ccc2C(=O)N(
    C[C@@H](C(=O)Nc3cncc4ccccc34)c2c1)CC(=O)
    NC5COC5; c1ccc2c(c1)cncc2NC(=O)C3CN(C(=O
    )c4c3cc(cc4)Cl)CC(=O)NC5COC5    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[(oxetan-3-yl)amino]-2-oxoethyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35977 RRE 3 C3 O6 Re InChI=1S/3CHO.3H2O.Re/c3*
    1-2;;;;/h3*1H;3*1H2;/q;;;
    ;;;+4/p-3;
    LTJPXUNQIJYHLE-UHFFFAOYSA-K    		 O.O.O.[Re+].C=O.C=O.C=O; [C](=O)[Re+]([C
    ]=O)([C]=O)([O])([O])[O]    		 fac-tricarbonyl-triaqua rhenium(I)
    35978 RRF 1 C18 H15 N3 O4 InChI=1S/C18H15N3O4/c22-1
    5-3-1-2-10-11(15)7-12(18(
    24)25)16(10)21-17(23)9-4-
    5-13-14(6-9)20-8-19-13/h1
    -6,8,12,16,22H,7H2,(H,19,
    20)(H,21,23)(H,24,25)/t12
    -,16+/m1/s1;
    KTTMBKKRQWCTBJ-WBMJQRKESA-N    		 c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)nc[n
    H]4)C(=O)O; OC(=O)[C@@H]1Cc2c(O)cccc2[C@
    @H]1NC(=O)c3ccc4[nH]cnc4c3; O=C(O)C1Cc2c
    (cccc2O)C1NC(=O)c1cc2nc[NH]c2cc1; OC(=O)
    [CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc4[nH]cn
    c4c3; c1cc2c(c(c1)O)C[C@H]([C@H]2NC(=O)c
    3ccc4c(c3)nc[nH]4)C(=O)O    		 (1R,2R)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
    35979 RRG
    CHEMBL2312702
    ZINC000095597918    		 2 C24 H24 O3 InChI=1S/C24H24O3/c1-17(2
    )21-10-6-7-11-22(21)19-12
    -14-20(15-13-19)27-23(24(
    25)26)16-18-8-4-3-5-9-18/
    h3-15,17,23H,16H2,1-2H3,(
    H,25,26)/t23-/m0/s1;
    LGZFNUULAZCXCA-QHCPKHFHSA-N    		 CC(C)c1ccccc1c2ccc(O[CH](Cc3ccccc3)C(O)=
    O)cc2; CC(C)c1ccccc1c2ccc(cc2)O[C@@H](Cc
    3ccccc3)C(=O)O; CC(C)c1ccccc1c2ccc(O[C@@
    H](Cc3ccccc3)C(O)=O)cc2; O=C(O)C(Oc1ccc(
    cc1)c2ccccc2C(C)C)Cc3ccccc3; CC(C)c1cccc
    c1c2ccc(cc2)OC(Cc3ccccc3)C(=O)O    		 (2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid
    35980 RRH
    CHEMBL2312703
    ZINC000095597509    		 1 C24 H24 O3 InChI=1S/C24H24O3/c1-17(2
    )21-10-6-7-11-22(21)19-12
    -14-20(15-13-19)27-23(24(
    25)26)16-18-8-4-3-5-9-18/
    h3-15,17,23H,16H2,1-2H3,(
    H,25,26)/t23-/m1/s1;
    LGZFNUULAZCXCA-HSZRJFAPSA-N    		 CC(C)c1ccccc1c2ccc(O[CH](Cc3ccccc3)C(O)=
    O)cc2; CC(C)c1ccccc1c2ccc(cc2)O[C@H](Cc3
    ccccc3)C(=O)O; CC(C)c1ccccc1c2ccc(O[C@H]
    (Cc3ccccc3)C(O)=O)cc2; O=C(O)C(Oc1ccc(cc
    1)c2ccccc2C(C)C)Cc3ccccc3; CC(C)c1ccccc1
    c2ccc(cc2)OC(Cc3ccccc3)C(=O)O    		 (2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid
    35981 RRI
    CHEMBL3274978
    ZINC000000149578    		 1 C10 H11 N O InChI=1S/C10H11NO/c1-8(12
    )11-7-6-9-4-2-3-5-10(9)11
    /h2-5H,6-7H2,1H3;
    RNTCWULFNYNFGI-UHFFFAOYSA-N    		 CC(=O)N1CCc2ccccc12; CC(=O)N1CCc2c1cccc2 1-indol-1-ylethanone
    35982 RRJ 4 C6 H11 Cl O5 InChI=1S/C6H11ClO5/c7-3-2
    (1-8)12-6(11)5(10)4(3)9/h
    2-6,8-11H,1H2/t2-,3+,4+,5
    -,6+/m1/s1;
    UDOJFSFHKNQOHC-PHYPRBDBSA-N    		 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)
    O)O)Cl)O; OC[C@H]1O[C@H](O)[C@H](O)[C@@H
    ](O)[C@H]1Cl; OC[CH]1O[CH](O)[CH](O)[CH]
    (O)[CH]1Cl; C(C1C(C(C(C(O1)O)O)O)Cl)O; O
    C1C(C(C(C(O1)CO)Cl)O)O    		 4-chloro-4-deoxy-alpha-D-galactopyranose
    35983 RRK
    CHEMBL381340
    ZINC000091684259    		 0 C14 H16 N2 InChI=1S/C14H16N2/c15-13(
    11-7-3-1-4-8-11)14(16)12-
    9-5-2-6-10-12/h1-10,13-14
    H,15-16H2/t13-,14-/m1/s1;
    PONXTPCRRASWKW-ZIAGYGMSSA-N    		 c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N; N[C
    @@H]([C@H](N)c1ccccc1)c2ccccc2; N[CH]([C
    H](N)c1ccccc1)c2ccccc2; C(C(c1ccccc1)N)(
    c2ccccc2)N; c1ccc(cc1)C(C(c2ccccc2)N)N    		 (1R,2R)-1,2-diphenylethane-1,2-diamine
    35984 RRM
    ZINC000263621262    		 1 C32 H48 O7 InChI=1S/C32H48O7/c1-6-7-
    8-26-18-20-32(39-29(26)15
    -11-23(3)21-31(36)37)19-1
    7-25(5)28(38-32)14-10-22(
    2)9-13-27(33)24(4)12-16-3
    0(34)35/h9-13,15-16,21,24
    -29,33H,6-8,14,17-20H2,1-
    5H3,(H,34,35)(H,36,37)/b1
    3-9+,15-11+,16-12+,22-10+
    ,23-21+/t24-,25-,26-,27-,
    28+,29-,32-/m0/s1;
    YEZCSKCHOPBNCC-OXNFKLAGSA-N    		 O=C(O)\C=C\C(C)C(O)/C=C/C(=C/CC2OC1(OC(\
    C=C\C(=C\C(=O)O)C)C(CC1)CCCC)CCC2C)C; CC
    CC[C@H]1CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(
    \C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)
    O[C@H]1/C=C/C(=C/C(=O)O)/C; CCCC[CH]1CC[
    C]2(CC[CH](C)[CH](CC=C(C)C=C[CH](O)[CH](
    C)C=CC(O)=O)O2)O[CH]1C=CC(C)=CC(O)=O; CC
    CCC1CCC2(CCC(C(O2)CC=C(C)C=CC(C(C)C=CC(=
    O)O)O)C)OC1C=CC(=CC(=O)O)C; CCCC[C@H]1CC
    [C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H
    ](O)[C@@H](C)/C=C/C(O)=O)O2)O[C@H]1/C=C/
    C(C)=C/C(O)=O    		 (2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
    35985 RRO
    ZINC000001666478    		 2 C5 H3 Br N2 O4 InChI=1S/C5H3BrN2O4/c6-1-
    2(4(10)11)7-5(12)8-3(1)9/
    h(H,10,11)(H2,7,8,9,12);
    YQYHIPBLZSIHDI-UHFFFAOYSA-N    		 O=C1NC(C(=O)O)=C(Br)C(=O)N1; C1(=C(NC(=O
    )NC1=O)C(=O)O)Br; OC(=O)C1=C(Br)C(=O)NC(
    =O)N1    		 5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid;
    5-bromoorotic acid
    35986 RRP
    CHEMBL351298
    DB08487
    ZINC000002047642    		 1 C20 H19 Cl N4 O3 S2 InChI=1S/C20H19ClN4O3S2/c
    21-16-5-4-14-9-19(29-17(1
    4)10-16)30(27,28)25-7-6-2
    4(18(26)12-25)11-13-2-1-3
    -15(8-13)20(22)23/h1-5,8-
    10H,6-7,11-12H2,(H3,22,23
    );
    PRMSFVUWLBPPLY-UHFFFAOYSA-N    		 c1cc(cc(c1)C(=N)N)CN2CC[N@@](CC2=O)S(=O)
    (=O)c3cc4ccc(cc4s3)Cl; O=C2N(Cc1cc(C(=[N
    @H])N)ccc1)CCN(C2)S(=O)(=O)c4sc3cc(Cl)cc
    c3c4; c1cc(cc(c1)C(=N)N)CN2CCN(CC2=O)S(=
    O)(=O)c3cc4ccc(cc4s3)Cl; NC(=N)c1cccc(CN
    2CCN(CC2=O)[S](=O)(=O)c3sc4cc(Cl)ccc4c3)
    c1    		 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE
    35987 RRQ
    ZINC000584905648    		 1 C33 H41 Cl N4 O6 S2 InChI=1S/C33H41ClN4O6S2/c
    1-35-32-20-26(8-15-31(32)
    33(39)40)22-37(21-25-16-1
    8-36-19-17-25)45(41,42)29
    -11-13-30(14-12-29)46(43,
    44)38(28-4-2-3-5-28)23-24
    -6-9-27(34)10-7-24/h6-15,
    20,25,28,35-36H,2-5,16-19
    ,21-23H2,1H3,(H,39,40);
    AAUHXDBDDJEFRE-UHFFFAOYSA-N    		 CNc1cc(CN(CC2CCNCC2)[S](=O)(=O)c3ccc(cc3
    )[S](=O)(=O)N(Cc4ccc(Cl)cc4)C5CCCC5)ccc1
    C(O)=O; CNc1cc(ccc1C(=O)O)CN(CC2CCNCC2)S
    (=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)
    Cl)C5CCCC5    		 4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid
    35988 RRR
    DB08488
    ZINC000006183120    		 1 C18 H17 Cl N4 O3 S2 InChI=1S/C18H17ClN4O3S2/c
    19-17-2-1-15(27-17)4-8-28
    (25,26)23-7-6-22(18(24)12
    -23)11-14-9-13-10-20-5-3-
    16(13)21-14/h1-5,8-10,21H
    ,6-7,11-12H2/b8-4+;
    PLWVUIRWJVKSSD-XBXARRHUSA-N    		 Clc4sc(/C=C/S(=O)(=O)N3CC(=O)N(Cc2cc1cnc
    cc1n2)CC3)cc4; c1cc(sc1\C=C\S(=O)(=O)[N@
    ]2CCN(C(=O)C2)Cc3cc4cnccc4[nH]3)Cl; Clc1
    sc(cc1)C=C[S](=O)(=O)N2CCN(Cc3[nH]c4ccnc
    c4c3)C(=O)C2; Clc1sc(cc1)/C=C/[S](=O)(=O
    )N2CCN(Cc3[nH]c4ccncc4c3)C(=O)C2; c1cc(s
    c1C=CS(=O)(=O)N2CCN(C(=O)C2)Cc3cc4cnccc4
    [nH]3)Cl    		 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE
    35989 RRS
    CHEMBL281795
    DB08489
    ZINC000003811057    		 1 C25 H36 N4 O4 InChI=1S/C25H36N4O4/c1-17
    (2)13-18(15-23(30)28-33)2
    4(31)27-21-14-19-16-29(22
    -10-6-5-9-20(19)22)12-8-4
    -3-7-11-26-25(21)32/h5-6,
    9-10,16-18,21,33H,3-4,7-8
    ,11-15H2,1-2H3,(H,26,32)(
    H,27,31)(H,28,30)/t18-,21
    +/m1/s1;
    GCBPAPVOMPJQHK-NQIIRXRSSA-N    		 O=C(NO)CC(C(=O)NC3C(=O)NCCCCCCn2c1ccccc1
    c(c2)C3)CC(C)C; CC(C)C[C@H](CC(=O)NO)C(=
    O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O; CC
    (C)C[CH](CC(=O)NO)C(=O)N[CH]1Cc2cn(CCCCC
    CNC1=O)c3ccccc23; CC(C)C[C@H](CC(=O)NO)C
    (=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c3ccccc23;
    CC(C)CC(CC(=O)NO)C(=O)NC1Cc2cn(c3c2cccc3
    )CCCCCCNC1=O    		 N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE
    35990 RRT
    CHEMBL45412
    DB01935    		 1 C12 H15 N O3 S InChI=1S/C12H15NO3S/c14-1
    1(7-12(15)16)13-10(8-17)6
    -9-4-2-1-3-5-9/h1-5,10,17
    H,6-8H2,(H,13,14)(H,15,16
    )/t10-/m1/s1;
    REPVVNYZORKKPQ-SNVBAGLBSA-N    		 c1ccc(cc1)C[C@H](CS)NC(=O)CC(=O)O; O=C(O
    )CC(=O)NC(Cc1ccccc1)CS; c1ccc(cc1)CC(CS)
    NC(=O)CC(=O)O; OC(=O)CC(=O)N[CH](CS)Cc1c
    cccc1; OC(=O)CC(=O)N[C@@H](CS)Cc1ccccc1    		 (R)-RETRO-THIORPHAN;
    3-{[(1R)-1-BENZYL-2-SULFANYLETHYL]AMINO}-3-OXOPROPANOIC ACID
    35991 RRU 1 C26 H23 Cl N4 O3 S InChI=1S/C26H23ClN4O3S/c2
    7-20-6-5-19-14-30(35(33,3
    4)17-25(15-28)7-8-25)16-2
    6(22(19)11-20)9-10-31(24(
    26)32)23-13-29-12-18-3-1-
    2-4-21(18)23/h1-6,11-13H,
    7-10,14,16-17H2/t26-/m1/s
    1;
    ZFIJDHJQBMZSSD-AREMUKBSSA-N    		 Clc1ccc2CN(C[C@]3(CCN(C3=O)c4cncc5ccccc4
    5)c2c1)[S](=O)(=O)CC6(CC6)C#N; c1ccc2c(c
    1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=
    O)(=O)CC6(CC6)C#N; Clc1ccc2CN(C[C]3(CCN(
    C3=O)c4cncc5ccccc45)c2c1)[S](=O)(=O)CC6(
    CC6)C#N; c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O
    )CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N;
    N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C
    CN(C2=O)c2cncc3ccccc32)C1    		 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
    35992 RRV
    ZINC000219656766    		 2 C16 H25 N O4 InChI=1S/C16H25NO4/c1-16(
    2,11-18)14(20)15(21)17-9-
    8-13(19)10-12-6-4-3-5-7-1
    2/h3-7,13-14,18-20H,8-11H
    2,1-2H3,(H,17,21)/t13-,14
    +/m1/s1;
    VPOXPYKLLDGWBA-KGLIPLIRSA-N    		 CC(C)(CO)C(C(=O)NCCC(Cc1ccccc1)O)O; O=C(
    NCCC(O)Cc1ccccc1)C(O)C(C)(C)CO; CC(C)(CO
    )[C@@H](O)C(=O)NCC[C@@H](O)Cc1ccccc1; CC
    (C)(CO)[C@H](C(=O)NCC[C@H](Cc1ccccc1)O)O
    ; CC(C)(CO)[CH](O)C(=O)NCC[CH](O)Cc1cccc
    c1    		 (2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide
    35993 RRW 1 C19 H29 N5 O8 S InChI=1S/C19H29N5O8S/c1-9
    (2)3-12(21)18(28)23-33(29
    ,30)31-7-14-16(26)17(27)1
    9(32-14)24-8-22-13-5-10(6
    -25)4-11(20)15(13)24/h4-5
    ,8-9,12,14,16-17,19,25-27
    H,3,6-7,20-21H2,1-2H3,(H,
    23,28)/t12-,14+,16+,17+,1
    9+/m0/s1;
    KLFPFKQOJXUPER-MVGUPFISSA-N    		 CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@
    H]([C@H]([C@@H](O1)n2cnc3c2c(cc(c3)CO)N)
    O)O)N; CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[
    CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N
    )c23; CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O
    1)n2cnc3c2c(cc(c3)CO)N)O)O)N; CC(C)C[C@H
    ](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H
    ](O)[C@@H]1O)n2cnc3cc(CO)cc(N)c23    		 [(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
    35994 RRX
    DB15914
    ZINC000004097702    		 82 C40 H56 O InChI=1S/C40H56O/c1-30(18
    -13-20-32(3)23-25-37-34(5
    )22-15-27-39(37,7)8)16-11
    -12-17-31(2)19-14-21-33(4
    )24-26-38-35(6)28-36(41)2
    9-40(38,9)10/h11-14,16-21
    ,23-26,36,41H,15,22,27-29
    H2,1-10H3/b12-11+,18-13+,
    19-14+,25-23+,26-24+,30-1
    6+,31-17+,32-20+,33-21+/t
    36-/m1/s1;
    DMASLKHVQRHNES-FKKUPVFPSA-N    		 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C
    )C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C; CC
    (=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C
    @@H](O)CC1(C)C)/C=C/C=C(C)/C=C/C2=C(C)CC
    CC2(C)C; CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(
    C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CCC
    C2(C)C; CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/
    C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[
    C@H](CC2(C)C)O)C)/C)/C; OC2CC(=C(\C=C\C(
    =C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C
    )CCCC1(C)C)C)C)C)C)C(C)(C)C2)C    		 (3R)-beta,beta-caroten-3-ol;
    beta-Cryptoxanthin
    35995 RRY 5 C6 H10 Cl2 O4 InChI=1S/C6H10Cl2O4/c7-1-
    3-4(9)5(10)6(11,2-8)12-3/
    h3-5,9-11H,1-2H2/t3-,4-,5
    +,6-/m1/s1;
    DPQRLGLZWCGBGE-ARQDHWQXSA-N    		 OC1C(O)C(CCl)OC1(CCl)O; O[CH]1[CH](O)[C]
    (O)(CCl)O[CH]1CCl; O[C@H]1[C@H](O)[C@@](
    O)(CCl)O[C@@H]1CCl; C(C1C(C(C(O1)(CCl)O)
    O)O)Cl; C([C@@H]1[C@H]([C@@H]([C@](O1)(C
    Cl)O)O)O)Cl    		 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose
    35996 RRZ
    CHEMBL4072643    		 1 C18 H20 Cl2 N2 O5 S InChI=1S/C18H20Cl2N2O5S/c
    1-2-11-9-21(10-17(23)24)1
    8(25)16-5-3-4-15(11)22(16
    )28(26,27)14-7-12(19)6-13
    (20)8-14/h2,6-8,11,15-16H
    ,1,3-5,9-10H2,(H,23,24)/t
    11-,15+,16-/m0/s1;
    CWGQECKQFWBWHJ-XZJROXQQSA-N    		 C=C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)
    (=O)c3cc(cc(c3)Cl)Cl)CC(=O)O; OC(=O)CN1C
    [CH](C=C)[CH]2CCC[CH](N2[S](=O)(=O)c3cc(
    Cl)cc(Cl)c3)C1=O; OC(=O)CN1C[C@H](C=C)[C
    @H]2CCC[C@H](N2[S](=O)(=O)c3cc(Cl)cc(Cl)
    c3)C1=O; C=CC1CN(C(=O)C2CCCC1N2S(=O)(=O)
    c3cc(cc(c3)Cl)Cl)CC(=O)O    		 2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid;
    ((1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)acetic acid
    35997 RS0 1 C18 H15 N3 O4 InChI=1S/C18H15N3O4/c22-1
    5-3-1-2-10-11(15)7-12(18(
    24)25)16(10)21-17(23)9-4-
    5-13-14(6-9)20-8-19-13/h1
    -6,8,12,16,22H,7H2,(H,19,
    20)(H,21,23)(H,24,25)/t12
    -,16+/m0/s1;
    KTTMBKKRQWCTBJ-BLLLJJGKSA-N    		 c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)nc[n
    H]4)C(=O)O; c1cc2c(c(c1)O)C[C@@H]([C@@H]
    2NC(=O)c3ccc4c(c3)nc[nH]4)C(=O)O; OC(=O)
    [C@H]1Cc2c(O)cccc2[C@H]1NC(=O)c3ccc4[nH]
    cnc4c3; O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc
    2nc[NH]c2cc1; OC(=O)[CH]1Cc2c(O)cccc2[CH
    ]1NC(=O)c3ccc4[nH]cnc4c3    		 (1S,2S)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
    35998 RS1
    CHEMBL440498
    DB08490
    ZINC000001488366    		 2 C19 H20 Cl N O6 S InChI=1S/C19H20ClNO6S/c20
    -14-1-3-15(4-2-14)27-16-5
    -7-17(8-6-16)28(24,25)13-
    19(18(22)21-23)9-11-26-12
    -10-19/h1-8,23H,9-13H2,(H
    ,21,22);
    ROSNVSQTEGHUKU-UHFFFAOYSA-N    		 c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)CC3(CCOC
    C3)C(=O)NO; ONC(=O)C1(CCOCC1)C[S](=O)(=O
    )c2ccc(Oc3ccc(Cl)cc3)cc2; O=S(=O)(c2ccc(
    Oc1ccc(Cl)cc1)cc2)CC3(C(=O)NO)CCOCC3    		 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE
    35999 RS2
    CHEMBL1235735
    DB08491
    ZINC000003873598    		 1 C19 H21 N O6 S InChI=1S/C19H21NO6S/c21-1
    8(20-22)14-19(10-12-25-13
    -11-19)27(23,24)17-8-6-16
    (7-9-17)26-15-4-2-1-3-5-1
    5/h1-9,22H,10-14H2,(H,20,
    21);
    ARIRIZBKMKMEBD-UHFFFAOYSA-N    		 ONC(=O)CC1(CCOCC1)[S](=O)(=O)c2ccc(Oc3cc
    ccc3)cc2; O=S(=O)(c2ccc(Oc1ccccc1)cc2)C3
    (CC(=O)NO)CCOCC3; c1ccc(cc1)Oc2ccc(cc2)S
    (=O)(=O)C3(CCOCC3)CC(=O)NO    		 N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE
    36000 RS3
    ZINC000035653106    		 14 C18 H23 N5 O6 InChI=1S/C18H23N5O6/c1-8-
    4-9-11(5-10(8)22(2)3)23(6
    -12(25)15(27)13(26)7-24)1
    6-14(19-9)17(28)21-18(29)
    20-16/h4-5,12-13,15,24-27
    H,6-7H2,1-3H3,(H,21,28,29
    )/t12-,13+,15-/m0/s1;
    IGQLDUYTWDABFK-GUTXKFCHSA-N    		 O=C2N=C1N(c3cc(N(C)C)c(cc3N=C1C(=O)N2)C)
    CC(O)C(O)C(O)CO; CN(C)c1cc2N(C[CH](O)[CH
    ](O)[CH](O)CO)C3=NC(=O)NC(=O)C3=Nc2cc1C;
    Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2
    )CC(C(C(CO)O)O)O; CN(C)c1cc2N(C[C@H](O)[
    C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=Nc2c
    c1C; Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C
    3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O    		 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol;
    Roseoflavin
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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