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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    35401
    RAL
    CHEMBL81
    DB00481
    ZINC000000538275    		 24 C28 H27 N O4 S InChI=1S/C28H27NO4S/c30-2
    1-8-4-20(5-9-21)28-26(24-
    13-10-22(31)18-25(24)34-2
    8)27(32)19-6-11-23(12-7-1
    9)33-17-16-29-14-2-1-3-15
    -29/h4-13,18,30-31H,1-3,1
    4-17H2;
    GZUITABIAKMVPG-UHFFFAOYSA-N    		 Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OC
    CN5CCCCC5)cc4; c1cc(ccc1c2c(c3ccc(cc3s2)
    O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O; O=C(c1c3
    ccc(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN4CCCCC
    4)cc5    		 RALOXIFENE
    35402
    RAM
    ZINC000003861280    		 146 C6 H12 O5 InChI=1S/C6H12O5/c1-2-3(7
    )4(8)5(9)6(10)11-2/h2-10H
    ,1H3/t2-,3-,4+,5+,6+/m0/s
    1;
    SHZGCJCMOBCMKK-HGVZOGFYSA-N    		 C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1
    O; OC1C(O)C(OC(O)C1O)C; C[C@H]1[C@@H]([C
    @H]([C@H]([C@@H](O1)O)O)O)O; CC1C(C(C(C(
    O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](O)
    [CH]1O    		 alpha-L-rhamnopyranose;
    alpha-L-rhamnose;
    6-deoxy-alpha-L-mannopyranose;
    L-rhamnose;
    rhamnose
    35403
    RAN    		 0 C8 H18 N O9 P InChI=1S/C8H18NO9P/c1-3(1
    0)9-5-7(12)6(11)4(18-8(5)
    13)2-17-19(14,15)16/h3-13
    H,2H2,1H3,(H2,14,15,16)/t
    3?,4-,5-,6-,7-,8+/m1/s1;
    IXJMOIFMGWFZBQ-NKWOADHPSA-N    		 CC(NC1C(C(C(OC1O)COP(=O)(O)O)O)O)O; O=P(
    O)(O)OCC1OC(O)C(NC(O)C)C(O)C1O; CC(N[C@@
    H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(
    O)O)O)O)O; C[C@@H](O)N[C@H]1[C@@H](O)O[C
    @H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O; C[C
    H](O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[C
    H](O)[CH]1O    		 PHOSPHORIC ACID MONO-[3,4,6-TRIHYDROXY-5-(1-HYDROXY-ETHYLAMINO)-TETRAHYDRO-PYRAN-2-YLMETHYL] ESTER
    35404
    RAO
    ZINC000005752253    		 0 C7 H14 O5 InChI=1S/C7H14O5/c1-3-4(8
    )5(9)6(10)7(11-2)12-3/h3-
    10H,1-2H3/t3-,4-,5+,6+,7+
    /m0/s1;
    OHWCAVRRXKJCRB-PAMBMQIZSA-N    		 CC1C(C(C(C(O1)OC)O)O)O; C[C@H]1[C@@H]([C
    @H]([C@H]([C@@H](O1)OC)O)O)O; CO[C@@H]1O
    [C@@H](C)[C@H](O)[C@@H](O)[C@H]1O; OC1C(
    O)C(O)C(OC1OC)C; CO[CH]1O[CH](C)[CH](O)[
    CH](O)[CH]1O    		 methyl 6-deoxy-alpha-L-rhamnopyranoside;
    1-O-METHYL-ALPHA-RHAMNOSE;
    methyl 6-deoxy-alpha-L-mannopyranoside;
    methyl 6-deoxy-alpha-L-rhamnoside;
    methyl 6-deoxy-L-rhamnoside;
    methyl 6-deoxy-rhamnoside
    35405
    RAP
    CHEMBL413
    DB00877
    ZINC000169289388    		 44 C51 H79 N O13 InChI=1S/C51H79NO13/c1-30
    -16-12-11-13-17-31(2)42(6
    1-8)28-38-21-19-36(7)51(6
    0,65-38)48(57)49(58)52-23
    -15-14-18-39(52)50(59)64-
    43(33(4)26-37-20-22-40(53
    )44(27-37)62-9)29-41(54)3
    2(3)25-35(6)46(56)47(63-1
    0)45(55)34(5)24-30/h11-13
    ,16-17,25,30,32-34,36-40,
    42-44,46-47,53,56,60H,14-
    15,18-24,26-29H2,1-10H3/b
    13-11+,16-12+,31-17+,35-2
    5+/t30-,32-,33-,34-,36-,3
    7+,38+,39+,40-,42+,43+,44
    -,46-,47+,51-/m1/s1;
    QFJCIRLUMZQUOT-HPLJOQBZSA-N    		 C[C@@H]1CC[C@H]2C[C@@H](C(=CC=C\C=C\[C@H
    ](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](
    C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O
    )[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@
    @H](C4)OC)O)C)/C)O)OC)C)C)C)OC; CO[CH]1C
    [CH](CC[CH]1O)C[CH](C)[CH]2CC(=O)[CH](C)
    C=C(C)[CH](O)[CH](OC)C(=O)[CH](C)C[CH](C
    )C=CC=CC=C(C)[CH](C[CH]3CC[CH](C)[C](O)(
    O3)C(=O)C(=O)N4CCCC[CH]4C(=O)O2)OC; O=C2
    C(C)CC(C=CC=CC=C(C)C(OC)CC4OC(O)(C(=O)C(
    =O)N3C(C(=O)OC(C(C)CC1CCC(O)C(OC)C1)CC(=
    O)C(C=C(C)C(O)C2OC)C)CCCC3)C(CC4)C)C; CC
    1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(
    =O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(
    C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC; CO
    [C@@H]1C[C@@H](CC[C@H]1O)C[C@@H](C)[C@@H
    ]2CC(=O)[C@H](C)/C=C(C)/[C@@H](O)[C@@H](
    OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(C)
    /[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(
    =O)C(=O)N4CCCC[C@H]4C(=O)O2)OC    		 RAPAMYCIN IMMUNOSUPPRESSANT DRUG
    35406
    RAQ    		 2 C25 H26 Cl N3 O4 S InChI=1S/C25H26ClN3O4S/c2
    6-20-6-5-19-14-29(34(31,3
    2)16-17-7-9-33-10-8-17)15
    -23(22(19)11-20)25(30)28-
    24-13-27-12-18-3-1-2-4-21
    (18)24/h1-6,11-13,17,23H,
    7-10,14-16H2,(H,28,30)/t2
    3-/m1/s1;
    UZYMUGANHORAQE-HSZRJFAPSA-N    		 c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)C
    l)S(=O)(=O)CC5CCOCC5; Clc1ccc2CN(C[CH](C
    (=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)CC5C
    COCC5; c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(C
    c4c3cc(cc4)Cl)S(=O)(=O)CC5CCOCC5; Clc1cc
    c2CN(C[C@@H](C(=O)Nc3cncc4ccccc34)c2c1)[
    S](=O)(=O)CC5CCOCC5; O=S(=O)(CC1CCOCC1)N
    1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35407
    RAR
    CHEMBL1235617
    ZINC000043100694    		 11 C27 H30 N6 O3 InChI=1S/C27H30N6O3/c1-4-
    7-22-21-9-6-5-8-19(21)16-
    31-33(22)24(34)11-10-18-1
    2-17(14-23(35-2)25(18)36-
    3)13-20-15-30-27(29)32-26
    (20)28/h5-6,8-12,14-16,22
    H,4,7,13H2,1-3H3,(H4,28,2
    9,30,32)/b11-10+/t22-/m0/
    s1;
    YGDVMSPWZQHNMB-NEQMZLFVSA-N    		 CCC[CH]1N(N=Cc2ccccc12)C(=O)C=Cc3cc(Cc4c
    nc(N)nc4N)cc(OC)c3OC; CCCC1c2ccccc2C=NN1
    C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N; C
    CC[C@H]1c2ccccc2C=NN1C(=O)\C=C\c3cc(cc(c
    3OC)OC)Cc4cnc(nc4N)N; CCC[C@@H]1N(N=Cc2c
    cccc12)C(=O)\C=C\c3cc(Cc4cnc(N)nc4N)cc(O
    C)c3OC; O=C(N2N=Cc1c(cccc1)C2CCC)\C=C\c3
    cc(cc(OC)c3OC)Cc4cnc(nc4N)N    		 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine;
    (S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-propylphthalazin-2(1H)-yl)prop-2-en-1-one
    35408
    RAS
    ZINC000016051424    		 6 C12 H15 N InChI=1S/C12H15N/c1-2-9-1
    3-12-8-7-10-5-3-4-6-11(10
    )12/h2-6,12-13H,1,7-9H2/t
    12-/m1/s1;
    RPAZWTZFMPXUKS-GFCCVEGCSA-N    		 C=CCNC1CCc2c1cccc2; c1cccc2c1CCC2NC/C=C;
    C=CCN[C@@H]1CCc2c1cccc2; C=CCN[CH]1CCc2
    ccccc12; C=CCN[C@@H]1CCc2ccccc12    		 (1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine;
    RASAGILINE, BOUND FORM
    35409
    RAT
    ZINC000001564966    		 14 C5 H8 O7 InChI=1S/C5H8O7/c6-1(2(7)
    4(9)10)3(8)5(11)12/h1-3,6
    -8H,(H,9,10)(H,11,12)/t2-
    ,3-/m0/s1;
    NPTTZSYLTYJCPR-HRFVKAFMSA-N    		 O[C@@H]([C@H](O)C(O)=O)[C@H](O)C(O)=O; C
    ([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O; O[C
    H]([CH](O)C(O)=O)[CH](O)C(O)=O; O=C(O)C(
    O)C(O)C(O)C(=O)O; C(C(C(=O)O)O)(C(C(=O)O
    )O)O    		 D-arabinaric acid;
    D-arabinarate
    35410
    RAU
    CHEMBL887
    DB01367
    ZINC000019875504    		 16 C12 H13 N InChI=1S/C12H13N/c1-2-9-1
    3-12-8-7-10-5-3-4-6-11(10
    )12/h1,3-6,12-13H,7-9H2/t
    12-/m1/s1;
    RUOKEQAAGRXIBM-GFCCVEGCSA-N    		 C#CCNC1CCc2c1cccc2; C#CCN[C@@H]1CCc2c1cc
    cc2; C#CCN[C@@H]1CCc2ccccc12; C#CCN[CH]1
    CCc2ccccc12    		 RASAGILINE
    35411
    RAV
    ZINC000013545636    		 1 C11 H18 N2 O3 InChI=1S/C11H18N2O3/c1-4-
    6-7(3)11(5-2)8(14)12-10(1
    6)13-9(11)15/h7H,4-6H2,1-
    3H3,(H2,12,13,14,15,16)/t
    7-/m0/s1;
    WEXRUCMBJFQVBZ-ZETCQYMHSA-N    		 CCC[CH](C)C1(CC)C(=O)NC(=O)NC1=O; CCC[C@
    H](C)C1(C(=O)NC(=O)NC1=O)CC; CCC[C@H](C)
    C1(CC)C(=O)NC(=O)NC1=O; CCCC(C)C1(C(=O)N
    C(=O)NC1=O)CC; O=C1NC(=O)NC(=O)C1(C(C)CC
    C)CC    		 5-ethyl-5-[(2S)-pentan-2-yl]pyrimidine-2,4,6(1H,3H,5H)-trione;
    Pentobarbital
    35412
    RAW    		 0 C40 H54 O InChI=1S/C40H54O/c1-30(18
    -13-20-32(3)23-25-36-34(5
    )22-15-28-39(36,7)8)16-11
    -12-17-31(2)19-14-21-33(4
    )24-26-37-35(6)38(41)27-2
    9-40(37,9)10/h11-14,16-21
    ,23-26H,15,22,27-29H2,1-1
    0H3/b12-11+,18-13+,19-14+
    ,25-23+,26-24+,30-16+,31-
    17+,32-20+,33-21+;
    QXNWZXMBUKUYMD-QQGJMDNJSA-N    		 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(=O)CCC2(
    C)C)C)/C)/C; CC(=CC=CC=C(C)C=CC=C(C)C=CC
    1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)C
    CCC2(C)C; CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=
    C\C1=C(C)C(=O)CCC1(C)C)/C=C/C=C(C)/C=C/C
    2=C(C)CCCC2(C)C; CC1=C(C(CCC1)(C)C)C=CC(
    =CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)
    CCC2(C)C)C)C)C; O=C2C(=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)CC2)C    		 beta,beta-caroten-4-one
    35413
    RAX    		 4 C13 H20 Cl2 N3 P Ru InChI=1S/C7H8.C6H12N3P.2C
    lH.Ru/c1-7-5-3-2-4-6-7;1-
    7-2-9-3-8(1)5-10(4-7)6-9;
    ;;/h2-6H,1H3;1-6H2;2*1H;/
    q;;;;+1/p-1;
    HQZSVEABAKKRLM-UHFFFAOYSA-M    		 Cc1ccccc1.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)
    Cl; Cc1ccccc1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C
    4    		 dichloro[(1,2,3,4,5,6-eta)-6-methylbenzene]1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]dec-7-ylruthenium
    35414
    RAY
    ZINC000040479819    		 5 C11 H14 F N O3 InChI=1S/C11H14FNO3/c1-15
    -5-6-16-8-11(14)13-10-4-2
    -3-9(12)7-10/h2-4,7H,5-6,
    8H2,1H3,(H,13,14);
    DGGIZNHJWLTAAM-UHFFFAOYSA-N    		 COCCOCC(=O)Nc1cccc(F)c1; COCCOCC(=O)Nc1c
    ccc(c1)F; C(COCCOC)(Nc1cccc(c1)F)=O    		 N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide
    35415
    RAZ
    DB03985    		 1 C14 H26 N InChI=1S/C14H25N/c1-12(2)
    6-5-11-15(4)14-9-7-13(3)8
    -10-14/h6-7,14H,5,8-11H2,
    1-4H3/p+1/t14-/m1/s1;
    GGPFTSMJRHEOJG-CQSZACIVSA-O    		 C[NH+](CCC=C(C)C)[C@H]1CCC(=CC1)C; CC1=C
    CC(CC1)[NH+](C)CCC=C(C)C; CC1=CC[C@H](CC
    1)[NH+](C)CCC=C(C)C; C1=C(C)CCC([NH+](C)
    CC\C=C(/C)C)C1; C[NH+](CCC=C(C)C)[CH]1CC
    C(=CC1)C    		 (1R)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM;
    (4R)-7-AZABISABOLENE;
    R-AZABISABOLENE
    35416
    RB    		 23 Rb InChI=1S/Rb/q+1;
    NCCSSGKUIKYAJD-UHFFFAOYSA-N    		 [Rb+] RUBIDIUM ION
    35417
    RB0
    CHEMBL3137744
    DB14704
    ZINC000100014205    		 25 C5 H12 O5 InChI=1S/C5H12O5/c6-1-3(8
    )5(10)4(9)2-7/h3-10H,1-2H
    2/t3-,4+,5-;
    HEBKCHPVOIAQTA-ZXFHETKHSA-N    		 C(C(C(C(CO)O)O)O)O; OC[CH](O)[CH](O)[CH]
    (O)CO; OC(CO)C(O)C(O)CO; C([C@H](C([C@H]
    (CO)O)O)O)O; OC[C@H](O)[C@H](O)[C@H](O)C
    O    		 D-ribitol
    35418
    RB1
    CHEMBL259420
    DB08461
    ZINC000029050722    		 1 C16 H19 N5 O InChI=1S/C16H19N5O/c1-16(
    2,3)21-15-13(14(17)18-9-1
    9-15)12(20-21)8-10-5-4-6-
    11(22)7-10/h4-7,9,22H,8H2
    ,1-3H3,(H2,17,18,19);
    QMAIQPBRCNEJAT-UHFFFAOYSA-N    		 n1c(c2c(nc1)n(nc2Cc3cccc(O)c3)C(C)(C)C)N
    ; CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)O)c(ncn2
    )N; CC(C)(C)n1nc(Cc2cccc(O)c2)c3c(N)ncnc
    13    		 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL
    35419
    RB2    		 1 C10 H20 Cl N O5 InChI=1S/C10H20ClNO5/c1-1
    7-10(16)6-4-5(11)2-3-7(6)
    12-8(13)9(14)15/h5-10,12-
    16H,2-4H2,1H3/t5-,6?,7-,8
    ?,10+/m0/s1;
    ZCXQIUYGWAQWDL-MOQQMVQXSA-N    		 CO[C@@H](O)[C@H]1C[C@@H](Cl)CC[C@@H]1N[C
    @@H](O)C(O)O; COC(C1CC(CCC1NC(C(O)O)O)Cl
    )O; CO[CH](O)[CH]1C[CH](Cl)CC[CH]1N[CH](
    O)C(O)O; ClC1CC(C(NC(O)C(O)O)CC1)C(O)OC    		 2-({4-CHLORO-2-[HYDROXY(METHOXY)METHYL]CYCLOHEXYL}AMINO)ETHANE-1,1,2-TRIOL
    35420
    RB3
    DB04773
    ZINC000058638370    		 3 C13 H22 O7 InChI=1S/C13H22O7/c1-8(14
    )5-12(16)19-10(3)7-13(17)
    20-9(2)6-11(15)18-4/h8-10
    ,14H,5-7H2,1-4H3/t8-,9-,1
    0-/m1/s1;
    WGAHBMKAEWUQKL-OPRDCNLKSA-N    		 CC(CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC)O; O=C
    (OC(C)CC(=O)OC(CC(=O)OC)C)CC(O)C; COC(=O
    )C[CH](C)OC(=O)C[CH](C)OC(=O)C[CH](C)O;
    COC(=O)C[C@@H](C)OC(=O)C[C@@H](C)OC(=O)C
    [C@@H](C)O; C[C@H](CC(=O)O[C@H](C)CC(=O)
    O[C@H](C)CC(=O)OC)O    		 (1R)-3-{[(1R)-3-METHOXY-1-METHYL-3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-3-HYDROXYBUTANOATE;
    METHYL (3R)-3-{[(3R)-3-{[(3R)-3-HYDROXYBUTANOYL]OXY}BUTANOYL]OXY}BUTANOATE
    35421
    RB4
    ZINC000098209351    		 1 C25 H25 N3 O3 S InChI=1S/C25H25N3O3S/c1-2
    -31-25(30)23-20(17-8-4-3-
    5-9-17)16-32-24(23)28-22(
    29)15-26-13-12-18-14-27-2
    1-11-7-6-10-19(18)21/h3-1
    1,14,16,26-27H,2,12-13,15
    H2,1H3,(H,28,29);
    VLWAROLSXORELU-UHFFFAOYSA-N    		 CCOC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2ccc
    c3)c4ccccc4; O=C(OCC)c2c(scc2c1ccccc1)NC
    (=O)CNCCc4c3ccccc3nc4; CCOC(=O)c1c(NC(=O
    )CNCCc2c[nH]c3ccccc23)scc1c4ccccc4    		 ethyl 2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxylate
    35422
    RB5
    DB15073
    ZINC000018168713    		 4 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-/m0/s1;
    PYMYPHUHKUWMLA-LMVFSUKVSA-N    		 OC[C@@H](O)[C@@H](O)[C@@H](O)C=O; 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; C(C(C(
    C(C=O)O)O)O)O    		 D-ribose
    35423
    RB6
    ZINC000103555189    		 11 C20 H24 N8 O6 S2 InChI=1S/C20H24N8O6S2/c21
    -20-25-15(27-36-20)14(26-
    34)16(30)23-12(7-29)17-24
    -13(19(32)33)10(8-35-17)5
    -9-2-4-28(18(9)31)11-1-3-
    22-6-11/h2,7,11-12,17,22,
    24,34H,1,3-6,8H2,(H,23,30
    )(H,32,33)(H2,21,25,27)/b
    26-14-/t11-,12-,17-/m1/s1;
    MYAXGJQBOYOEHQ-SWBIIUODSA-N    		 Nc1snc(n1)C(=NO)C(=O)N[CH](C=O)[CH]2NC(=
    C(CS2)CC3=CCN([CH]4CCNC4)C3=O)C(O)=O; C1
    CNC[C@@H]1N2CC=C(C2=O)CC3=C(N[C@H](SC3)[
    C@@H](C=O)NC(=O)/C(=N\O)/c4nc(sn4)N)C(=O
    )O; C1CNCC1N2CC=C(C2=O)CC3=C(NC(SC3)C(C=
    O)NC(=O)C(=NO)c4nc(sn4)N)C(=O)O; O=C(O)C
    =1NC(SCC=1CC2=CCN(C2=O)C3CCNC3)C(C=O)NC(
    =O)C(=N\O)/c4nc(sn4)N; Nc1snc(n1)C(=N/O)
    /C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)CC3=CC
    N([C@@H]4CCNC4)C3=O)C(O)=O    		 (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
    BAL 9141, bound form;
    ceftobiprole, bound form
    35424
    RB7
    ZINC000073852589    		 17 C11 H16 Br N O2 S InChI=1S/C11H16BrNO2S/c1-
    9-7-10(3-4-11(9)12)8-13-5
    -6-16(2,14)15/h3-4,7,13H,
    5-6,8H2,1-2H3;
    ODRAFWBQWMPBEH-UHFFFAOYSA-N    		 Cc1cc(ccc1Br)CNCCS(=O)(=O)C; Cc1cc(CNCC[
    S](C)(=O)=O)ccc1Br; c1cc(Br)c(cc1CNCCS(C
    )(=O)=O)C    		 N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine
    35425
    RB8
    ZINC000096095523    		 8 C6 H12 O8 S InChI=1S/C6H12O8S/c7-2-6(
    10)5(9)4(8)3(14-6)1-15(11
    ,12)13/h3-5,7-10H,1-2H2,(
    H,11,12,13)/t3-,4-,5+,6-/
    m1/s1;
    QTQNAYQDKCBJTC-ARQDHWQXSA-N    		 OC[C]1(O)O[CH](C[S](O)(=O)=O)[CH](O)[CH]
    1O; C(C1C(C(C(O1)(CO)O)O)O)S(=O)(=O)O; C
    ([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)S
    (=O)(=O)O; OC[C@@]1(O)O[C@H](C[S](O)(=O)
    =O)[C@@H](O)[C@@H]1O    		 6-deoxy-6-sulfo-D-fructose;
    [(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methanesulfonic acid
    35426
    RB9
    ZINC000098209352    		 1 C30 H28 N4 O2 S InChI=1S/C30H28N4O2S/c35-
    27(19-31-16-15-23-18-32-2
    6-14-8-7-13-24(23)26)34-3
    0-28(25(20-37-30)22-11-5-
    2-6-12-22)29(36)33-17-21-
    9-3-1-4-10-21/h1-14,18,20
    ,31-32H,15-17,19H2,(H,33,
    36)(H,34,35);
    NZMGUKNNKODUOD-UHFFFAOYSA-N    		 c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CNCCc3c[n
    H]c4c3cccc4)c5ccccc5; O=C(CNCCc1c[nH]c2c
    cccc12)Nc3scc(c4ccccc4)c3C(=O)NCc5ccccc5
    ; O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)
    CNCCc5c4ccccc4nc5    		 N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide
    35427
    RBB    		 2 C18 H20 N4 O3 InChI=1S/C18H20N4O3/c1-18
    (2)9-22(8-11(25-18)7-14(2
    3)24)17-15-12-5-3-4-6-13(
    12)21-16(15)19-10-20-17/h
    3-6,10-11H,7-9H2,1-2H3,(H
    ,23,24)(H,19,20,21)/t11-/
    m1/s1;
    RSIOYFDJMJLVBY-LLVKDONJSA-N    		 OC(=O)CC1CN(CC(C)(C)O1)c1ncnc2[NH]c3cccc
    c3c21; CC1(C)CN(C[CH](CC(O)=O)O1)c2ncnc3
    [nH]c4ccccc4c23; CC1(C)CN(C[C@@H](CC(O)=
    O)O1)c2ncnc3[nH]c4ccccc4c23; CC1(CN(CC(O
    1)CC(=O)O)c2c3c4ccccc4[nH]c3ncn2)C; CC1(
    CN(C[C@H](O1)CC(=O)O)c2c3c4ccccc4[nH]c3n
    cn2)C    		 [(2R)-6,6-dimethyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
    35428
    RBC
    CHEMBL1235623
    ZINC000058661272    		 0 C32 H32 Cl N O4 InChI=1S/C32H32ClNO4/c1-3
    6-21-27-17-34-18-30(37-20
    -23-12-13-24-6-2-3-7-26(2
    4)16-23)31(27)25-14-10-22
    (11-15-25)19-38-32(35)28-
    8-4-5-9-29(28)33/h2-16,27
    ,30-31,34H,17-21H2,1H3/t2
    7-,30-,31-/m0/s1;
    MDNCEOVGVRNOIK-NAYUSWPISA-N    		 COCC1CNCC(C1c2ccc(cc2)COC(=O)c3ccccc3Cl)
    OCc4ccc5ccccc5c4; COC[CH]1CNC[CH](OCc2cc
    c3ccccc3c2)[CH]1c4ccc(COC(=O)c5ccccc5Cl)
    cc4; Clc1ccccc1C(=O)OCc2ccc(cc2)C5C(CNCC
    5OCc4cc3ccccc3cc4)COC; COC[C@@H]1CNC[C@H
    ](OCc2ccc3ccccc3c2)[C@H]1c4ccc(COC(=O)c5
    ccccc5Cl)cc4; COC[C@@H]1CNC[C@@H]([C@H]1
    c2ccc(cc2)COC(=O)c3ccccc3Cl)OCc4ccc5cccc
    c5c4    		 4-[(4R,5R)-3-(METHOXYMETHYL)-5-(2-NAPHTHYLMETHOXY)PIPERIDIN-4-YL]BENZYL 2-CHLOROBENZOATE
    35429
    RBD
    ZINC000098209353    		 0 C14 H22 N5 O8 P InChI=1S/C14H22N5O8P/c20-
    7-1-11(27-10(7)4-26-28(23
    ,24)25)19-6-17-12-13(15-5
    -16-14(12)19)18-2-8(21)9(
    22)3-18/h5-11,20-25,28H,1
    -4H2/t7-,8+,9+,10+,11+/m0
    /s1;
    AFIPVZHEZSDVQA-VPJKUYQRSA-N    		 O[CH]1C[CH](O[CH]1CO[PH](O)(O)O)n2cnc3c(
    ncnc23)N4C[CH](O)[CH](O)C4; O[C@H]1C[C@@
    H](O[C@@H]1CO[PH](O)(O)O)n2cnc3c(ncnc23)
    N4C[C@@H](O)[C@H](O)C4; c1nc2c(c(n1)N3C[
    C@H]([C@@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@
    H](O4)COP(O)(O)O)O; c1nc2c(c(n1)N3CC(C(C
    3)O)O)ncn2C4CC(C(O4)COP(O)(O)O)O; n3c1c(
    ncnc1N2CC(O)C(O)C2)n(c3)C4OC(C(O)C4)COP(
    O)(O)O    		 (R,R)-N6,N6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
    35430
    RBE
    ZINC000004805032    		 2 C15 H17 N O4 InChI=1S/C15H17NO4/c17-14
    (18)13-11-7-6-10(16-11)8-
    12(13)20-15(19)9-4-2-1-3-
    5-9/h1-5,10-13,16H,6-8H2,
    (H,17,18)/t10-,11+,12-,13
    +/m0/s1;
    CMYJDRSCSOXYHG-QNWHQSFQSA-N    		 [O-]C(=O)[CH]1[CH]2CC[CH](C[CH]1OC(=O)c3
    ccccc3)[NH2+]2; c1ccc(cc1)C(=O)O[C@H]2C[
    C@@H]3CC[C@H]([C@H]2C(=O)[O-])[NH2+]3; c
    1ccc(cc1)C(=O)OC2CC3CCC(C2C(=O)[O-])[NH2
    +]3; [O-]C(=O)[C@@H]1[C@H]2CC[C@@H](C[C@
    @H]1OC(=O)c3ccccc3)[NH2+]2; [O-]C(=O)C3C
    1[NH2+]C(CC1)CC3OC(=O)c2ccccc2    		 3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID;
    NOR-BENZOYLECGONINE
    35431
    RBF
    CHEMBL1534
    DB00140
    ZINC000002036848    		 122 C17 H20 N4 O6 InChI=1S/C17H20N4O6/c1-7-
    3-9-10(4-8(7)2)21(5-11(23
    )14(25)12(24)6-22)15-13(1
    8-9)16(26)20-17(27)19-15/
    h3-4,11-12,14,22-25H,5-6H
    2,1-2H3,(H,20,26,27)/t11-
    ,12+,14-/m0/s1;
    AUNGANRZJHBGPY-SCRDCRAPSA-N    		 Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](
    O)[CH](O)CO)c2cc1C; Cc1cc2c(cc1C)N(C3=NC
    (=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O; Cc1cc2c
    (cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@
    @H]([C@@H](CO)O)O)O; Cc1cc2N=C3C(=O)NC(=
    O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc
    1C; N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=
    23)CC(O)C(O)C(O)CO    		 RIBOFLAVIN;
    RIBOFLAVINE;
    VITAMIN B2
    35432
    RBG
    ZINC000006357278    		 1 C10 H20 N2 O InChI=1S/C10H20N2O/c1-10(
    2,3)12-9(13)8-6-4-5-7-11-
    8/h8,11H,4-7H2,1-3H3,(H,1
    2,13)/t8-/m1/s1;
    BZRGONFHSWNSQA-MRVPVSSYSA-N    		 CC(C)(C)NC(=O)C1CCCCN1; CC(C)(C)NC(=O)[C
    @H]1CCCCN1; CC(C)(C)NC(=O)[CH]1CCCCN1; C
    (C1CCCCN1)(=O)NC(C)(C)C    		 (2R)-N-tert-butylpiperidine-2-carboxamide
    35433
    RBH    		 2 C14 H27 N4 O9 InChI=1S/C14H26N4O9/c15-1
    8-16-1-2-24-3-4-25-5-6-26
    -8-10(20)17-11-9(7-19)27-
    14(23)13(22)12(11)21/h9,1
    1-15,19,21-23H,1-8H2/p+1/
    t9-,11-,12+,13-,14-/m1/s1;
    RPRHCZBAXXPRCX-RGCYKPLRSA-O    		 OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(=O)
    COCCOCCOCCN=[N+]=N; C(COCCOCCOCC(=O)N[C@
    @H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO)N
    =[N+]=N; OC[C@H]1O[C@@H](O)[C@H](O)[C@@H
    ](O)[C@@H]1NC(=O)COCCOCCOCCN=[N+]=N; C(C
    OCCOCCOCC(=O)NC1C(OC(C(C1O)O)O)CO)N=[N+]
    =N    		 ~{N}-[(2~{S},3~{S},4~{S},5~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]-2-oxidanyl-ethanamide
    35434
    RBJ
    ZINC000011920608    		 7 C8 H11 N O InChI=1S/C8H11NO/c1-9-6-7
    -2-4-8(10)5-3-7/h2-5,9-10
    H,6H2,1H3;
    AMKMYXVFAOJGGQ-UHFFFAOYSA-N    		 CNCc1ccc(O)cc1; CNCc1ccc(cc1)O; c1c(ccc(
    c1)CNC)O    		 4-[(methylamino)methyl]phenol
    35435
    RBL
    CHEMBL195989
    ZINC000000902225    		 10 C5 H10 O5 InChI=1S/C5H10O5/c6-1-3(8
    )5(10)4(9)2-7/h3,5-8,10H,
    1-2H2/t3-,5-/m1/s1;
    ZAQJHHRNXZUBTE-NQXXGFSBSA-N    		 O=C(CO)C(O)C(O)CO; C(C(C(C(=O)CO)O)O)O;
    C([C@H]([C@H](C(=O)CO)O)O)O; OC[C@@H](O)
    [C@@H](O)C(=O)CO; OC[CH](O)[CH](O)C(=O)C
    O    		 D-ribulose
    35436
    RBM    		 2 C23 H22 Cl N5 O3 S InChI=1S/C23H22ClN5O3S/c1
    -28(10-4-9-25)33(31,32)29
    -14-17-7-8-18(24)11-20(17
    )21(15-29)23(30)27-22-13-
    26-12-16-5-2-3-6-19(16)22
    /h2-3,5-8,11-13,21H,4,10,
    14-15H2,1H3,(H,27,30)/t21
    -/m1/s1;
    JKPQSZQLRZDMOG-OAQYLSRUSA-N    		 CN(CCC#N)[S](=O)(=O)N1C[CH](C(=O)Nc2cncc
    3ccccc23)c4cc(Cl)ccc4C1; CN(CCC#N)S(=O)(
    =O)N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3
    cccc4)Cl; CN(CCC#N)[S](=O)(=O)N1C[C@@H](
    C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1; CN(
    CCC#N)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3
    cncc4c3cccc4)Cl; N#CCCN(C)S(=O)(=O)N1Cc2
    ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21    		 (4S)-6-chloro-2-[(2-cyanoethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35437
    RBN    		 2 C6 H6 Cl2 Ru InChI=1S/C6H6.2ClH.Ru/c1-
    2-4-6-5-3-1;;;/h1-6H;2*1H
    ;/q;;;+2/p-2;
    NDWWOISDNSYBCH-UHFFFAOYSA-L    		 Cl[Ru]65432(Cl)C=1C6=C5C4=C3C=12; [CH]12
    =[CH]3[Ru]1456([CH]2=[CH]4[CH]5=[CH]63)(
    Cl)Cl; Cl[Ru]|1|2|3|4|5(Cl)|C6=C|1C|2=C|
    3C|4=C|56    		 Benzeneruthenium(II) chloride
    35438
    RBO    		 1 C16 H16 N4 O3 InChI=1S/C16H16N4O3/c21-1
    3(22)7-10-8-20(5-6-23-10)
    16-14-11-3-1-2-4-12(11)19
    -15(14)17-9-18-16/h1-4,9-
    10H,5-8H2,(H,21,22)(H,17,
    18,19)/t10-/m1/s1;
    XWEGCZDYAZUMMD-SNVBAGLBSA-N    		 OC(=O)C[CH]1CN(CCO1)c2ncnc3[nH]c4ccccc4c
    23; OC(=O)C[C@@H]1CN(CCO1)c2ncnc3[nH]c4c
    cccc4c23; O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3
    ccccc3c12; c1ccc2c(c1)c3c([nH]2)ncnc3N4C
    COC(C4)CC(=O)O; c1ccc2c(c1)c3c([nH]2)ncn
    c3N4CCO[C@@H](C4)CC(=O)O    		 [(2R)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
    35439
    RBP
    CHEMBL1235625
    ZINC000058638557    		 0 C22 H22 Br N O InChI=1S/C22H22BrNO/c23-2
    0-9-7-18(8-10-20)21-11-12
    -24-14-22(21)25-15-16-5-6
    -17-3-1-2-4-19(17)13-16/h
    1-10,13,21-22,24H,11-12,1
    4-15H2/t21-,22+/m1/s1;
    UHWXWBPDHHMNSG-YADHBBJMSA-N    		 Brc1ccc(cc1)[CH]2CCNC[CH]2OCc3ccc4ccccc4
    c3; Brc1ccc(cc1)C4CCNCC4OCc3cc2ccccc2cc3
    ; Brc1ccc(cc1)[C@H]2CCNC[C@@H]2OCc3ccc4c
    cccc4c3; c1ccc2cc(ccc2c1)COC3CNCCC3c4ccc
    (cc4)Br; c1ccc2cc(ccc2c1)CO[C@H]3CNCC[C@
    @H]3c4ccc(cc4)Br    		 (3R,4R)-4-(4-BROMOPHENYL)-3-(2-NAPHTHYLMETHOXY)PIPERIDINE;
    TRANS-(3R,4R)-2-NAPHTYL-METHOXY-4-(4-BROMOPHENYL)-PIPERIDINE
    35440
    RBQ
    CHEMBL4470174
    ZINC000200661443    		 2 C17 H25 F3 N4 O3 InChI=1S/C17H25F3N4O3/c1-
    12(2)27-10-7-23-13(17(18,
    19)20)3-4-24-15(25)11-14(
    21-16(23)24)22-5-8-26-9-6
    -22/h11-13H,3-10H2,1-2H3/
    t13-/m0/s1;
    MYULDSNSZNSXKG-ZDUSSCGKSA-N    		 CC(C)OCCN1[C@@H](CCN2C(=O)C=C(N=C12)N3CC
    OCC3)C(F)(F)F; FC(F)(F)C3N(C2=NC(N1CCOCC
    1)=CC(=O)N2CC3)CCOC(C)C; CC(C)OCCN1C(CCN
    2C1=NC(=CC2=O)N3CCOCC3)C(F)(F)F; CC(C)OC
    CN1[CH](CCN2C(=O)C=C(N=C12)N3CCOCC3)C(F)
    (F)F; CC(C)OCCN1[C@@H](CCN2C1=NC(=CC2=O)
    N3CCOCC3)C(F)(F)F    		 (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
    35441
    RBR
    CHEMBL1201244
    DB00728
    ZINC000053229445    		 23 C32 H53 N2 O4 InChI=1S/C32H53N2O4/c1-5-
    14-34(15-6-7-16-34)28-20-
    26-24-9-8-23-19-29(36)27(
    33-12-17-37-18-13-33)21-3
    2(23,4)25(24)10-11-31(26,
    3)30(28)38-22(2)35/h5,23-
    30,36H,1,6-21H2,2-4H3/q+1
    /t23-,24+,25-,26-,27-,28-
    ,29-,30-,31-,32-/m0/s1;
    YXRDKMPIGHSVRX-OOJCLDBCSA-N    		 C=CC[N+]1(CCCC1)C1CC2C3CCC4CC(O)C(CC4(C)
    C3CCC2(C)C1OC(C)=O)N1CCOCC1; CC(=O)O[C@H
    ]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[
    C@H](C[C@]4(C)[C@H]3CC[C@]12C)N5CCOCC5)[
    N+]6(CCCC6)CC=C; CC(=O)O[CH]1[CH](C[CH]2
    [CH]3CC[CH]4C[CH](O)[CH](C[C]4(C)[CH]3CC
    [C]12C)N5CCOCC5)[N+]6(CCCC6)CC=C; CC(=O)
    OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOC
    C5)C)C)[N+]6(CCCC6)CC=C; CC(=O)O[C@H]1[C
    @H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H
    ]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C
    )[N+]6(CCCC6)CC=C    		 rocuronium
    35442
    RBS
    CHEMBL1221699
    DB08462
    ZINC000038521711    		 2 C17 H14 N4 O InChI=1S/C17H14N4O/c1-2-1
    6(22)20-13-8-9-15-14(10-1
    3)17(19-11-18-15)21-12-6-
    4-3-5-7-12/h2-11H,1H2,(H,
    20,22)(H,18,19,21);
    JGWHILNNHLDARR-UHFFFAOYSA-N    		 O=C(/C=C)Nc3cc1c(ncnc1Nc2ccccc2)cc3; C=C
    C(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1; C=CC(=O
    )Nc1ccc2c(c1)c(ncn2)Nc3ccccc3    		 N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE
    35443
    RBT
    CHEMBL444633
    DB00615
    ZINC000169621215    		 10 C46 H62 N4 O11 InChI=1S/C46H62N4O11/c1-2
    2(2)21-50-18-16-46(17-19-
    50)48-34-31-32-39(54)28(8
    )42-33(31)43(56)45(10,61-
    42)59-20-15-30(58-11)25(5
    )41(60-29(9)51)27(7)38(53
    )26(6)37(52)23(3)13-12-14
    -24(4)44(57)47-36(40(32)5
    5)35(34)49-46/h12-15,20,2
    2-23,25-27,30,37-38,41,49
    ,52-54H,16-19,21H2,1-11H3
    ,(H,47,57)/b13-12+,20-15+
    ,24-14-/t23-,25+,26+,27+,
    30-,37-,38+,41+,45-/m0/s1;
    ATEBXHFBFRCZMA-VXTBVIBXSA-N    		 CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4C(=O)C(=C
    5NC6(CCN(CC6)CC(C)C)N=C5c4c3C2=O)NC(=O)C
    (=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C
    )[CH](OC(C)=O)[CH]1C)C; CO[C@H]1\C=C\O[C
    @@]2(C)Oc3c(C)c(O)c4C(=O)C(=C5NC6(CCN(CC
    6)CC(C)C)N=C5c4c3C2=O)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; O=C4c5c2C1=NC
    6(NC1=C3C(=O)c2c(O)c(c5OC4(OC=CC(OC)C(C(
    OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)N3
    )C)C)C)C)C)CCN(CC(C)C)CC6; Cc1c(c2c3c4c1
    O[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(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=
    O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O; Cc1c(c2
    c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=
    C(C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2
    =O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O    		 RIFABUTIN;
    (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6-16,18,20- TETRAHYDROXY-1'-ISOBUTYL-14-METHOXY-7,9,15,17,19,21,25- HEPTAMETHYLSPIRO(9,4-(EPOXYPENTADECA(1,11,13)TRIENIMINO)-2H- FURO(2',3':7,8)NAPHTH(1,2-D)IMIDAZOLE-2,4'-PIPERIDINE)- 5,10,26(3H,9H)-TRIONE,16-ACETATE;
    ANSAMYCIN
    35444
    RBU    		 3 C23 H20 N6 Ru InChI=1S/2C10H8N2.C3H4N2.
    Ru/c2*1-3-7-11-9(5-1)10-6
    -2-4-8-12-10;1-2-5-3-4-1;
    /h2*1-8H;1-3H,(H,4,5);;
    LVAGRRXZENULKW-UHFFFAOYSA-N    		 [Ru].[nH]1ccnc1.c2ccc(nc2)c3ccccn3.c4ccc
    (nc4)c5ccccn5; c1ccnc(c1)C2=[N](C=CC=C2)
    [Ru]([N]3=CNC=C3)[N]4=C(C=CC=C4)c5ccccn5    		 RUTHEMIUM BIS(2,2'-BIPYRIDINE)-2-IMIDAZOLE
    35445
    RBV
    CHEMBL1643
    DB00811
    ZINC000001035331    		 10 C8 H12 N4 O5 InChI=1S/C8H12N4O5/c9-6(1
    6)7-10-2-12(11-7)8-5(15)4
    (14)3(1-13)17-8/h2-5,8,13
    -15H,1H2,(H2,9,16)/t3-,4-
    ,5-,8-/m1/s1;
    IWUCXVSUMQZMFG-AFCXAGJDSA-N    		 NC(=O)c1ncn(n1)[CH]2O[CH](CO)[CH](O)[CH]
    2O; O=C(c1ncn(n1)C2OC(C(O)C2O)CO)N; c1nc
    (nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)
    C(=O)N; c1nc(nn1C2C(C(C(O2)CO)O)O)C(=O)N
    ; NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H]
    (O)[C@H]2O    		 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide;
    Ribavirin
    35446
    RBW    		 2 C20 H20 Cl N O4 S InChI=1S/C20H20ClNO4S/c1-
    11(2)14-5-4-6-15-17(19(20
    (23)24)22-18(14)15)12-7-8
    -13(16(21)9-12)10-27(3,25
    )26/h4-9,11,22H,10H2,1-3H
    3,(H,23,24);
    GFIQTTYHVBGLFD-UHFFFAOYSA-N    		 CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=
    O)(=O)C)C(=O)O; CC(C)c1cccc2c1[nH]c(C(O)
    =O)c2c3ccc(C[S](C)(=O)=O)c(Cl)c3    		 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid
    35447
    RBX    		 2 C22 H23 Cl N4 O3 S InChI=1S/C22H23ClN4O3S/c1
    -3-26(2)31(29,30)27-13-16
    -8-9-17(23)10-19(16)20(14
    -27)22(28)25-21-12-24-11-
    15-6-4-5-7-18(15)21/h4-12
    ,20H,3,13-14H2,1-2H3,(H,2
    5,28)/t20-/m1/s1;
    PKNUWHGBAIVWIT-HXUWFJFHSA-N    		 CCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)
    Nc1cncc2ccccc21; CCN(C)[S](=O)(=O)N1C[CH
    ](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1; C
    CN(C)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3c
    ncc4c3cccc4)Cl; CCN(C)S(=O)(=O)N1Cc2ccc(
    cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl; CC
    N(C)[S](=O)(=O)N1C[C@@H](C(=O)Nc2cncc3cc
    ccc23)c4cc(Cl)ccc4C1    		 (4S)-6-chloro-2-[ethyl(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35448
    RBY
    ZINC000058661315    		 1 C16 H25 N5 O13 P2 InChI=1S/C16H25N5O13P2/c1
    7-13-8-14(19-3-18-13)21(4
    -20-8)15-11(24)9(22)6(33-
    15)1-31-35(27,28)5-36(29,
    30)32-2-7-10(23)12(25)16(
    26)34-7/h3-4,6-7,9-12,15-
    16,22-26H,1-2,5H2,(H,27,2
    8)(H,29,30)(H2,17,18,19)/
    t6-,7-,9-,10+,11-,12-,15-
    ,16-/m1/s1;
    ZPZRETFSCSWNDT-CAUCCWOKSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C
    [P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[
    CH](O)[CH]3O; c1nc(c2c(n1)n(cn2)C3C(C(C(
    O3)COP(=O)(CP(=O)(O)OCC4C(C(C(O4)O)O)O)O
    )O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([
    C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)O
    CC4C([C@H]([C@@H](O4)O)O)O)O)O)O)N; O=P(
    O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)CP(=O
    )(O)OCC4OC(O)C(O)C4O; Nc1ncnc2n(cnc12)[C
    @@H]3O[C@H](CO[P@@](O)(=O)C[P@@](O)(=O)O
    C[C@H]4O[C@@H](O)[C@H](O)[C@H]4O)[C@@H](
    O)[C@H]3O    		 METHYLENE ADP-BETA-XYLOSE
    35449
    RBZ
    DB02030
    ZINC000005930819    		 4 C14 H19 N2 O7 P InChI=1S/C14H19N2O7P/c1-7
    -3-9-10(4-8(7)2)16(6-15-9
    )14-13(18)12(17)11(23-14)
    5-22-24(19,20)21/h3-4,6,1
    1-14,17-18H,5H2,1-2H3,(H2
    ,19,20,21)/t11-,12-,13-,1
    4+/m1/s1;
    ZMRGXEJKZPRBPJ-SYQHCUMBSA-N    		 Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H](
    [C@H](O3)COP(=O)(O)O)O)O; O=P(O)(O)OCC3O
    C(n2cnc1cc(c(cc12)C)C)C(O)C3O; Cc1cc2c(c
    c1C)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O; Cc
    1cc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)
    [CH]3O)c2cc1C; Cc1cc2ncn([C@H]3O[C@H](CO
    [P](O)(O)=O)[C@@H](O)[C@H]3O)c2cc1C    		 ALPHA-RIBAZOLE-5'-PHOSPHATE
    35450
    RC0
    CHEMBL4751268    		 4 C15 H13 Cl2 N5 InChI=1S/C15H13Cl2N5/c1-9
    -7-10(2)22(21-9)15-18-8-1
    3(17)14(20-15)19-12-5-3-1
    1(16)4-6-12/h3-8H,1-2H3,(
    H,18,19,20);
    ASQXYGAONBBSHT-UHFFFAOYSA-N    		 Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc(cc3)Cl)Cl)C
    ; Cc1cc(C)n(n1)c2ncc(Cl)c(Nc3ccc(Cl)cc3)
    n2    		 5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
    35451
    RC1
    ZINC000033821497    		 2 C10 H16 O13 P2 InChI=1S/C10H16O13P2/c1-1
    0(9(14)15,24(16,17)18)22-
    5-2-4(8(12)13)3-6(7(5)11)
    23-25(19,20)21/h3,5-7,11H
    ,2H2,1H3,(H,12,13)(H,14,1
    5)(H2,16,17,18)(H2,19,20,
    21)/t5-,6-,7+,10-/m1/s1;
    HUOJJMMXOWLGJU-QGOVLLJGSA-N    		 C[C@](O[C@@H]1CC(=C[C@@H](O[P](O)(O)=O)[
    C@H]1O)C(O)=O)(C(O)=O)[P](O)(O)=O; CC(C(
    =O)O)(OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O)P(
    =O)(O)O; C[C@@](C(=O)O)(O[C@@H]1CC(=C[C@
    H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O;
    C[C](O[CH]1CC(=C[CH](O[P](O)(O)=O)[CH]1O
    )C(O)=O)(C(O)=O)[P](O)(O)=O; O=C(O)C(OC1
    CC(=CC(OP(=O)(O)O)C1O)C(=O)O)(P(=O)(O)O)
    C    		 [3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
    35452
    RC2
    CHEMBL1472460
    ZINC000036381000    		 4 C17 H19 N7 O2 S InChI=1S/C17H19N7O2S/c18-
    10-14(25)20-12-3-1-2-11(8
    -12)16-22-24-15(26)9-13(2
    1-17(24)27-16)23-6-4-19-5
    -7-23/h1-3,8-9,19H,4-7,10
    ,18H2,(H,20,25);
    ITNCYPYTFKVCFI-UHFFFAOYSA-N    		 NCC(=O)Nc1cccc(c1)C2=NN3C(=O)C=C(N=C3S2)
    N4CCNCC4; O=C(Nc4cccc(C1=NN2C(=O)C=C(N=C
    2S1)N3CCNCC3)c4)CN; c1cc(cc(c1)NC(=O)CN)
    C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4    		 N-{3-[5-oxo-7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide
    35453
    RC3    		 1 C16 H16 N4 O3 InChI=1S/C16H16N4O3/c21-1
    3(22)7-10-8-20(5-6-23-10)
    16-14-11-3-1-2-4-12(11)19
    -15(14)17-9-18-16/h1-4,9-
    10H,5-8H2,(H,21,22)(H,17,
    18,19)/t10-/m0/s1;
    XWEGCZDYAZUMMD-JTQLQIEISA-N    		 c1ccc2c(c1)c3c([nH]2)ncnc3N4CCO[C@H](C4)
    CC(=O)O; OC(=O)C[C@H]1CN(CCO1)c2ncnc3[nH
    ]c4ccccc4c23; OC(=O)C[CH]1CN(CCO1)c2ncnc
    3[nH]c4ccccc4c23; O=C(O)CC1CN(CCO1)c1ncn
    c2[NH]c3ccccc3c12; c1ccc2c(c1)c3c([nH]2)
    ncnc3N4CCOC(C4)CC(=O)O    		 [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
    35454
    RC4
    ZINC000584905649    		 1 C16 H18 B N2 O5 InChI=1S/C16H18BN2O5/c1-1
    0-3-6-15(23-2)14(7-10)19-
    16(20)18-12-5-4-11-9-24-1
    7(21,22)13(11)8-12/h3-8,2
    1-22H,9H2,1-2H3,(H2,18,19
    ,20)/q-1;
    DMOTUOXBEBOMAL-UHFFFAOYSA-N    		 COc1ccc(C)cc1NC(=O)Nc2ccc3CO[B-](O)(O)c3
    c2; [B-]1(c2cc(ccc2CO1)NC(=O)Nc3cc(ccc3O
    C)C)(O)O    		 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea
    35455
    RC5
    ZINC000230570823    		 2 C14 H22 N O5 P InChI=1S/C14H22NO5P/c1-15
    (17)14(16)10-13(11-21(18,
    19)20)9-5-8-12-6-3-2-4-7-
    12/h2-4,6-7,13,17H,5,8-11
    H2,1H3,(H2,18,19,20)/t13-
    /m1/s1;
    YKRNADVNYIPUET-CYBMUJFWSA-N    		 CN(O)C(=O)C[C@@H](CCCc1ccccc1)C[P](O)(O)
    =O; CN(O)C(=O)C[CH](CCCc1ccccc1)C[P](O)(
    O)=O; O=P(O)(O)CC(CCCc1ccccc1)CC(=O)N(O)
    C; CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)
    O)O; CN(C(=O)CC(CCCc1ccccc1)CP(=O)(O)O)O    		 [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid
    35456
    RC6
    ZINC000165458219    		 1 C10 H10 Cl N O InChI=1S/C10H10ClNO/c1-7(
    13)12-6-5-8-9(11)3-2-4-10
    (8)12/h2-4H,5-6H2,1H3;
    PRQBPDDBVHPKIP-UHFFFAOYSA-N    		 CC(=O)N1CCc2c(Cl)cccc12; CC(=O)N1CCc2c1c
    ccc2Cl    		 1-(4-chloranyl-2,3-dihydroindol-1-yl)ethanone
    35457
    RC7    		 0 C17 H14 N4 O4 InChI=1S/C17H14N4O4/c22-1
    3-4-1-11(2-5-13)7-14-17(2
    5)21(9-16(23)24)15(20-14)
    6-3-12-8-18-10-19-12/h1-8
    ,10,22H,9H2,(H,18,19)(H,2
    3,24)/b6-3+,14-7-;
    STRYMBWJHWRMBE-PJTBNZIESA-N    		 c1cc(ccc1C=C2C(=O)N(C(=N2)C=Cc3c[nH]cn3)
    CC(=O)O)O; c1cc(ccc1/C=C\2/C(=O)N(C(=N2)
    /C=C/c3c[nH]cn3)CC(=O)O)O; OC(=O)CN1C(=O
    )C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3; OC(=
    O)CN1C(=O)C(=C/c2ccc(O)cc2)/N=C1/C=C/c3c
    [nH]cn3    		 2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid;
    RED CHROMOPHORE (HIS-TYR-GLY);
    {(2R)-4-(4-hydroxybenzyl)-2-[2-(1H-imidazol-4-yl)ethyl]-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid
    35458
    RC8
    CHEMBL518800
    DB08463
    ZINC000016052807    		 8 C24 H29 N7 O InChI=1S/C24H29N7O/c1-4-1
    9(14-32)28-24-29-22(21-23
    (30-24)31(15-27-21)16(2)3
    )26-13-17-8-10-18(11-9-17
    )20-7-5-6-12-25-20/h5-12,
    15-16,19,32H,4,13-14H2,1-
    3H3,(H2,26,28,29,30)/t19-
    /m1/s1;
    HOCBJBNQIQQQGT-LJQANCHMSA-N    		 n1c(c2ncn(c2nc1NC(CC)CO)C(C)C)NCc4ccc(c3
    ncccc3)cc4; CCC(CO)Nc1nc(c2c(n1)n(cn2)C(
    C)C)NCc3ccc(cc3)c4ccccn4; CC[C@H](CO)Nc1
    nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4cccc
    n4; CC[CH](CO)Nc1nc(NCc2ccc(cc2)c3ccccn3
    )c4ncn(C(C)C)c4n1; CC[C@H](CO)Nc1nc(NCc2
    ccc(cc2)c3ccccn3)c4ncn(C(C)C)c4n1    		 (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
    35459
    RC9    		 2 C25 H23 Cl N4 O3 S InChI=1S/C25H23ClN4O3S/c2
    6-19-7-6-18-13-30(34(32,3
    3)16-25(15-27)8-3-9-25)14
    -22(21(18)10-19)24(31)29-
    23-12-28-11-17-4-1-2-5-20
    (17)23/h1-2,4-7,10-12,22H
    ,3,8-9,13-14,16H2,(H,29,3
    1)/t22-/m1/s1;
    GJPHCXZDDOVJHH-JOCHJYFZSA-N    		 Clc1ccc2CN(C[C@@H](C(=O)Nc3cncc4ccccc34)
    c2c1)[S](=O)(=O)CC5(CCC5)C#N; c1ccc2c(c1
    )cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O
    )CC5(CCC5)C#N; N#CC1(CCC1)CS(=O)(=O)N1Cc
    2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21; c1
    ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(cc
    4)Cl)S(=O)(=O)CC5(CCC5)C#N; Clc1ccc2CN(C
    [CH](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=
    O)CC5(CCC5)C#N    		 (4S)-6-chloro-2-[(1-cyanocyclobutyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35460
    RCA
    ZINC000003834172    		 2 C12 H16 N4 O5 InChI=1S/C12H16N4O5/c1-5-
    6(13-10(20)15-8(5)18)3-12
    (2)7(4-17)14-11(21)16-9(1
    2)19/h7,17H,3-4H2,1-2H3,(
    H2,13,15,18,20)(H2,14,16,
    19,21)/t7-,12+/m0/s1;
    KBBKHMIEEMSXSM-JVXZTZIISA-N    		 CC1=C(C[C@]2(C)[C@H](CO)NC(=O)NC2=O)NC(=
    O)NC1=O; O=C1NC(CO)C(C(=O)N1)(C)CC2=C(C(
    =O)NC(=O)N2)C; CC1=C(NC(=O)NC1=O)C[C@@]2
    ([C@@H](NC(=O)NC2=O)CO)C; CC1=C(NC(=O)NC
    1=O)CC2(C(NC(=O)NC2=O)CO)C; CC1=C(C[C]2(
    C)[CH](CO)NC(=O)NC2=O)NC(=O)NC1=O    		 6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDIN-5-YL]METHYL}-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE;
    HYDROXYMETHYL-HYDROTHYMYL-THYMINE;
    5-[THYMIN-6-YL]METHYL-6-HYDRO-6-HYDROXYMETHYL-THYMINE
    35461
    RCB
    ZINC000077311806    		 3 C24 H35 N O18 InChI=1S/C24H35NO18/c26-5
    -10-13(29)14(30)17(33)23(
    39-10)42-21-12(7-28)41-24
    (19(35)16(21)32)43-20-11(
    6-27)40-22(18(34)15(20)31
    )38-9-3-1-8(2-4-9)25(36)3
    7/h1-4,10-24,26-35H,5-7H2
    /t10-,11-,12-,13-,14+,15-
    ,16-,17-,18-,19-,20-,21-,
    22-,23+,24+/m1/s1;
    BETIRLUWOMCBBJ-ZENQEEDISA-N    		 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H
    ]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]
    ([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H](
    [C@@H]([C@H](O4)CO)O)O)O)O)O)O)O; c1cc(c
    cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)OC3C(C(
    C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
    ; OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](
    O)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H
    ](O)[C@@H](O[C@@H]3CO)Oc4ccc(cc4)[N+]([O
    -])=O)[C@H](O)[C@@H](O)[C@@H]1O; OC[CH]1
    O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)
    O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)Oc4ccc
    (cc4)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;
    [O-][N+](=O)c4ccc(OC3OC(C(OC2OC(C(OC1OC(
    CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)C3O)CO)cc4    		 4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside;
    p-nitrophenyl beta-D-cellotrioside
    35462
    RCC
    ZINC000100078195    		 3 C35 H38 N4 O7 InChI=1S/C35H38N4O7/c1-8-
    19-15(3)26(14-40)36-25(19
    )13-24-18(6)28-32(38-24)2
    9(30(33(28)43)35(45)46-7)
    31-21(10-11-27(41)42)17(5
    )22(37-31)12-23-16(4)20(9
    -2)34(44)39-23/h9,12,14,1
    7,21,30,36,38H,2,8,10-11,
    13H2,1,3-7H3,(H,39,44)(H,
    41,42)/b23-12-,31-29-/t17
    -,21-,30+/m0/s1;
    ZDEZVOKVUGXDCZ-FATBKOMMSA-N    		 O=C5C(\C=C)=C(\C(=C\C4=N/C(=C2\c1nc(c(c1
    C(=O)C2C(=O)OC)C)Cc3c(c(c(C=O)n3)C)CC)C(
    CCC(=O)O)C4C)N5)C; CCc1c(c([nH]c1Cc2c(c3
    c([nH]2)C(=C4C(C(C(=N4)C=C5C(=C(C(=O)N5)
    C=C)C)C)CCC(=O)O)C(C3=O)C(=O)OC)C)C=O)C;
    CCc1c(C)c([nH]c1Cc2[nH]c3C([CH](C(=O)OC
    )C(=O)c3c2C)=C4N=C(C=C5NC(=O)C(=C5C)C=C)
    [CH](C)[CH]4CCC(O)=O)C=O; CCc1c(c([nH]c1
    Cc2c(c3c([nH]2)/C(=C\4/[C@H]([C@@H](C(=N
    4)/C=C\5/C(=C(C(=O)N5)C=C)C)C)CCC(=O)O)/
    [C@H](C3=O)C(=O)OC)C)C=O)C; CCc1c(C)c([n
    H]c1Cc2[nH]c3\C([C@@H](C(=O)OC)C(=O)c3c2
    C)=C4/N=C(\C=C5/NC(=O)C(=C5C)C=C)[C@@H](
    C)[C@@H]4CCC(O)=O)C=O    		 3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid;
    Red chlorophyll catabolite
    35463
    RCD    		 0 C48 H80 O40 InChI=1S/C48H80O40/c49-1-
    9-33-17(57)25(65)41(73-9)
    82-34-10(2-50)75-43(27(67
    )19(34)59)84-36-12(4-52)7
    7-45(29(69)21(36)61)86-38
    -14(6-54)79-47(31(71)23(3
    8)63)88-40-16(8-56)80-48(
    32(72)24(40)64)87-39-15(7
    -55)78-46(30(70)22(39)62)
    85-37-13(5-53)76-44(28(68
    )20(37)60)83-35-11(3-51)7
    4-42(81-33)26(66)18(35)58
    /h9-72H,1-8H2/t9-,10-,11-
    ,12-,13-,14-,15-,16-,17-,
    18-,19-,20-,21-,22-,23-,2
    4-,25-,26-,27-,28-,29-,30
    -,31-,32-,33-,34-,35-,36-
    ,37-,38-,39-,40-,41-,42-,
    43-,44-,45-,46-,47-,48-/m
    1/s1;
    GDSRMADSINPKSL-HSEONFRVSA-N    		 C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C
    (C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O
    C7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O
    2)C(C9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O; C(
    [C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@
    @H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@
    H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H
    ]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]
    6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7
    [C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[
    C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C
    @H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)CO)CO)
    CO)CO)CO)CO)O)O)O; OC[CH]1O[CH]2O[CH]3[C
    H](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[
    CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)
    [CH](O[CH]5CO)O[CH]6[CH](O)[CH](O)[CH](O
    [CH]6CO)O[CH]7[CH](O)[CH](O)[CH](O[CH]7C
    O)O[CH]8[CH](O)[CH](O)[CH](O[CH]8CO)O[CH
    ]9[CH](O)[CH](O)[CH](O[CH]9CO)O[CH]1[CH]
    (O)[CH]2O; OC[C@H]1O[C@@H]2O[C@H]3[C@H](
    O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H]
    (O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H
    ](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@
    H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C
    @H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]8[
    C@H](O)[C@@H](O)[C@H](O[C@@H]8CO)O[C@H]9
    [C@H](O)[C@@H](O)[C@H](O[C@@H]9CO)O[C@H]
    1[C@H](O)[C@H]2O; OC2C(O)C1OC9OC(CO)C(OC
    8OC(CO)C(OC7OC(CO)C(OC6OC(CO)C(OC5OC(C(O
    C4OC(CO)C(OC3OC(CO)C(OC2OC1CO)C(O)C3O)C(
    O)C4O)C(O)C5O)CO)C(O)C6O)C(O)C7O)C(O)C8O
    )C(O)C9O    		 gamma-cyclodextrin;
    cyclo-octa-amylose
    35464
    RCE
    ZINC000098209357    		 0 C11 H15 N2 O9 P InChI=1S/C11H15N2O9P/c1-5
    -11(4-20-23(17,18)19)8(15
    )7(21-5)9(22-11)13-3-2-6(
    14)12-10(13)16/h2-3,5,7-9
    ,15H,4H2,1H3,(H,12,14,16)
    (H2,17,18,19)/t5-,7-,8+,9
    -,11+/m1/s1;
    YMFXFISZLBZENQ-QPLYKKBVSA-N    		 C[C@H]1O[C@@H]2[C@H](O)[C@@]1(CO[P](O)(O
    )=O)O[C@H]2N3C=CC(=O)NC3=O; O=P(O)(O)OCC
    32OC(N1C(=O)NC(=O)C=C1)C(OC2C)C3O; C[C@@
    H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=C
    C(=O)NC3=O)O)COP(=O)(O)O; C[CH]1O[CH]2[C
    H](O)[C]1(CO[P](O)(O)=O)O[CH]2N3C=CC(=O)
    NC3=O; CC1C2(C(C(O1)C(O2)N3C=CC(=O)NC3=O
    )O)COP(=O)(O)O    		 1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-D-gulofuranosyl}pyrimidine-2,4(1H,3H)-dione
    35465
    RCF
    ZINC000034473562    		 2 C16 H12 F N O4 InChI=1S/C16H12FNO4/c1-10
    (16(19)20)21-12-3-5-13(6-
    4-12)22-15-7-2-11(9-18)8-
    14(15)17/h2-8,10H,1H3,(H,
    19,20)/t10-/m1/s1;
    ROBSGBGTWRRYSK-SNVBAGLBSA-N    		 C[C@@H](Oc1ccc(Oc2ccc(cc2F)C#N)cc1)C(O)=
    O; C[CH](Oc1ccc(Oc2ccc(cc2F)C#N)cc1)C(O)
    =O; C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F
    )C#N; N#Cc1ccc(c(c1)F)Oc2ccc(OC(C)C(O)=O
    )cc2; CC(C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F)C
    #N    		 (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
    35466
    RCG
    CHEMBL438139
    DB15495
    ZINC000005664046    		 1 C29 H31 N O7 InChI=1S/C29H31NO7/c1-30(
    2)27(32)23-24(17-9-7-6-8-
    10-17)29(18-11-13-19(34-3
    )14-12-18)28(33,26(23)31)
    25-21(36-5)15-20(35-4)16-
    22(25)37-29/h6-16,23-24,2
    6,31,33H,1-5H3/t23-,24-,2
    6-,28+,29+/m1/s1;
    DAPAQENNNINUPW-IDAMAFBJSA-N    		 CN(C)C(=O)C1C(C2(C(C1O)(c3c(cc(cc3OC)OC)
    O2)O)c4ccc(cc4)OC)c5ccccc5; CN(C)C(=O)[C
    @@H]1[C@H]([C@]2([C@@]([C@@H]1O)(c3c(cc(
    cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5; COc
    1ccc(cc1)[C]23Oc4cc(OC)cc(OC)c4[C]2(O)[C
    H](O)[CH]([CH]3c5ccccc5)C(=O)N(C)C; COc1
    ccc(cc1)[C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)
    [C@H](O)[C@@H]([C@H]3c5ccccc5)C(=O)N(C)C    		 (1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide;
    Rocaglamide;
    Rocaglamide A
    35467
    RCH
    CHEMBL4457566    		 1 C32 H31 N3 O5 S InChI=1S/C32H31N3O5S/c1-1
    8-14-20(30(37)34-31(2,3)4
    )16-21(33-18)10-8-19-9-12
    -24-26(15-19)40-29-27(24)
    28(36)23-13-11-22(35-41(7
    ,38)39)17-25(23)32(29,5)6
    /h9,11-17,35H,1-7H3,(H,34
    ,37);
    DCGOHGQJHJXBGW-UHFFFAOYSA-N    		 Cc1cc(cc(n1)C#Cc2ccc3c(oc4c3C(=O)c5ccc(N
    [S](C)(=O)=O)cc5C4(C)C)c2)C(=O)NC(C)(C)C
    ; Cc1cc(cc(n1)C#Cc2ccc3c(c2)oc4c3C(=O)c5
    ccc(cc5C4(C)C)NS(=O)(=O)C)C(=O)NC(C)(C)C    		 N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide
    35468
    RCI
    ZINC000001555333    		 4 C3 H5 Cl O2 InChI=1S/C3H5ClO2/c1-2(4)
    3(5)6/h2H,1H3,(H,5,6)/t2-
    /m1/s1;
    GAWAYYRQGQZKCR-UWTATZPHSA-N    		 C[C@@H](Cl)C(O)=O; C[C@H](C(=O)O)Cl; C[C
    H](Cl)C(O)=O; CC(C(=O)O)Cl    		 (R)-2-Chloropropionic acid;
    (R)-2-Chloropropanoic acid
    35469
    RCJ
    ZINC000141946561    		 4 C11 H21 N O9 InChI=1S/C11H21NO9/c1-4(1
    4)12-8(5(15)2-6(16)11(20)
    21)10(19)9(18)7(17)3-13/h
    5-10,13,15-19H,2-3H2,1H3,
    (H,12,14)(H,20,21)/t5-,6-
    ,7+,8+,9+,10+/m0/s1;
    REORMAHRVILHOU-HQBQHRAMSA-N    		 CC(=O)NC(C(CC(C(=O)O)O)O)C(C(C(CO)O)O)O;
    CC(=O)N[CH]([CH](O)C[CH](O)C(O)=O)[CH](
    O)[CH](O)[CH](O)CO; CC(=O)N[C@H]([C@@H](
    O)C[C@H](O)C(O)=O)[C@@H](O)[C@H](O)[C@H]
    (O)CO; CC(=O)N[C@H]([C@H](C[C@@H](C(=O)O
    )O)O)[C@H]([C@@H]([C@@H](CO)O)O)O    		 (2~{S},4~{S},5~{R},6~{R},7~{S},8~{R})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid
    35470
    RCK    		 2 C25 H27 F N6 O S InChI=1S/C25H27FN6OS/c26-
    22-9-5-4-8-20(22)16-27-23
    -21-17-28-32(11-10-19-6-2
    -1-3-7-19)24(21)30-25(29-
    23)34-18-31-12-14-33-15-1
    3-31/h1-9,17H,10-16,18H2,
    (H,27,29,30);
    VXDFUYOZJBQCMJ-UHFFFAOYSA-N    		 Fc1ccccc1CNc2nc(SCN3CCOCC3)nc4n(CCc5cccc
    c5)ncc24; c1ccc(cc1)CCn2c3c(cn2)c(nc(n3)
    SCN4CCOCC4)NCc5ccccc5F    		 ~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
    35471
    RCL
    CHEMBL1235634
    ZINC000003875925    		 3 C18 H34 O3 InChI=1S/C18H34O3/c1-2-3-
    4-11-14-17(19)15-12-9-7-5
    -6-8-10-13-16-18(20)21/h9
    ,12,17,19H,2-8,10-11,13-1
    6H2,1H3,(H,20,21)/b12-9+/
    t17-/m1/s1;
    WBHHMMIMDMUBKC-XLNAKTSKSA-N    		 CCCCCCC(CC=CCCCCCCCC(=O)O)O; O=C(O)CCCCC
    CC/C=C/CC(O)CCCCCC; CCCCCC[C@@H](O)C/C=C
    /CCCCCCCC(O)=O; CCCCCC[CH](O)CC=CCCCCCCC
    C(O)=O; CCCCCC[C@H](C\C=C\CCCCCCCC(=O)O)
    O    		 RICINOLEIC ACID
    35472
    RCM
    CHEMBL370438
    ZINC000013983453    		 2 C13 H12 Cl N3 O2 InChI=1S/C13H12ClN3O2/c1-
    17-12(18)10(16-13(17)19)5
    -7-6-15-11-8(7)3-2-4-9(11
    )14/h2-4,6,10,15H,5H2,1H3
    ,(H,16,19)/t10-/m1/s1;
    WIKGAEMMNQTUGL-SNVBAGLBSA-N    		 CN1C(=O)N[CH](Cc2c[nH]c3c(Cl)cccc23)C1=O
    ; CN1C(=O)C(NC1=O)Cc2c[nH]c3c2cccc3Cl; C
    N1C(=O)[C@H](NC1=O)Cc2c[nH]c3c2cccc3Cl;
    CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=
    O; O=C1NC(C(=O)N1C)Cc3c2cccc(Cl)c2nc3    		 (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
    35473
    RCN
    CHEMBL4856775    		 4 C8 H7 Cl N4 InChI=1S/C8H7ClN4/c9-5-1-
    2-7(10)6(3-5)8-4-11-13-12
    -8/h1-4H,10H2,(H,11,12,13
    );
    LLSXNXRQHHVPLS-UHFFFAOYSA-N    		 c1cc(c(cc1Cl)c2cn[nH]n2)N; Nc1ccc(Cl)cc1
    c2cn[nH]n2    		 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline;
    MMG-0363
    35474
    RCO
    CHEMBL24147
    DB11085
    ZINC000000002028    		 23 C6 H6 O2 InChI=1S/C6H6O2/c7-5-2-1-
    3-6(8)4-5/h1-4,7-8H;
    GHMLBKRAJCXXBS-UHFFFAOYSA-N    		 c1cc(cc(c1)O)O; Oc1cccc(O)c1 RESORCINOL;
    1,3-BENZENEDIOL;
    1,3-DIHYDROXYBENZENE
    35475
    RCP
    CHEMBL208943
    ZINC000003962830    		 19 C30 H35 N3 O3 InChI=1S/C30H35N3O3/c34-2
    9(32-16-18-36-19-17-32)24
    -8-5-13-33(21-24)25-11-14
    -31(15-12-25)30(35)28-26-
    9-3-1-6-22(26)20-23-7-2-4
    -10-27(23)28/h1-4,6-7,9-1
    0,20,24-25H,5,8,11-19,21H
    2/t24-/m1/s1;
    LDQKDRLEMKIYMC-XMMPIXPASA-N    		 c1ccc2c(c1)cc3ccccc3c2C(=O)N4CCC(CC4)N5C
    CCC(C5)C(=O)N6CCOCC6; O=C([C@@H]1CCCN(C1
    )C2CCN(CC2)C(=O)c3c4ccccc4cc5ccccc35)N6C
    COCC6; O=C(N1CCOCC1)C6CCCN(C5CCN(C(=O)c4
    c2ccccc2cc3ccccc34)CC5)C6; c1ccc2c(c1)cc
    3ccccc3c2C(=O)N4CCC(CC4)[N@]5CCC[C@H](C5
    )C(=O)N6CCOCC6; O=C([CH]1CCCN(C1)C2CCN(C
    C2)C(=O)c3c4ccccc4cc5ccccc35)N6CCOCC6    		 (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE
    35476
    RCQ
    CHEMBL4871312    		 4 C8 H7 Cl N4 InChI=1S/C8H7ClN4/c9-5-1-
    2-7(10)6(3-5)8-11-4-12-13
    -8/h1-4H,10H2,(H,11,12,13
    );
    YLZNCOGLABONRN-UHFFFAOYSA-N    		 Nc1ccc(Cl)cc1c2[nH]ncn2; c1cc(c(cc1Cl)c2
    [nH]ncn2)N    		 4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline;
    MMG-0706
    35477
    RCR    		 1 C18 H16 Br F N4 O2 InChI=1S/C18H16BrFN4O2/c1
    9-10-2-3-11-12(6-10)23-14
    -13(11)15(22-9-21-14)24-7
    -17(4-1-5-17)18(20,8-24)1
    6(25)26/h2-3,6,9H,1,4-5,7
    -8H2,(H,25,26)(H,21,22,23
    )/t18-/m1/s1;
    RIJVOOFUJLZCSA-GOSISDBHSA-N    		 OC(=O)[C]1(F)CN(CC12CCC2)c3ncnc4[nH]c5cc
    (Br)ccc5c34; c1cc2c(cc1Br)[nH]c3c2c(ncn3
    )N4CC5(CCC5)C(C4)(C(=O)O)F; OC(=O)[C@]1(
    F)CN(CC12CCC2)c3ncnc4[nH]c5cc(Br)ccc5c34
    ; O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc
    (Br)ccc3c12; c1cc2c(cc1Br)[nH]c3c2c(ncn3
    )N4C[C@](C5(C4)CCC5)(C(=O)O)F    		 (8R)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
    35478
    RCS    		 2 C16 H13 N2 O6 Re S InChI=1S/C13H13N2O3S.3CO.
    Re/c14-19(17,18)12-7-5-10
    (6-8-12)9-15-13(16)11-3-1
    -2-4-11;3*1-2;/h1-8H,9H2,
    (H,15,16)(H2,14,17,18);;;
    ;;
    RMIPOUPNRFHFRY-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(CNC(=O)C23[Re]|4|5|6(|
    [C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|C(=C2
    |4)C|5=C3|6)cc1; c1cc(ccc1CNC(=O)C23[CH]
    4=[CH]5[Re]426([CH]5=[CH]63)(C#O)(C#O)C#
    O)S(=O)(=O)N    		 triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(I)
    35479
    RCT
    CHEMBL4563970    		 2 C16 H14 Cl N3 InChI=1S/C16H14ClN3/c17-1
    5-8-4-7-14(16-11-18-20-19
    -16)13(15)10-9-12-5-2-1-3
    -6-12/h1-8,11H,9-10H2,(H,
    18,19,20);
    KSCUUNCHIFGAIO-UHFFFAOYSA-N    		 c1ccc(cc1)CCc2c(cccc2Cl)c3cnn[nH]3; Clc1
    cccc(c2[nH]nnc2)c1CCc3ccccc3    		 4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole;
    MMG-0472;
    5-[3-chloranyl-2-(2-phenylethyl)phenyl]-1H-1,2,3-triazole
    35480
    RCU    		 1 C15 H15 Cl F3 N O3 InChI=1S/C15H15ClF3NO3/c1
    -2-23-13(22)6-5-12(21)20-
    8-7-9-11(20)4-3-10(16)14(
    9)15(17,18)19/h3-4H,2,5-8
    H2,1H3;
    RYLCYWNNCGQOCH-UHFFFAOYSA-N    		 CCOC(=O)CCC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl
    ; CCOC(=O)CCC(=O)N1CCc2c1ccc(Cl)c2C(F)(F
    )F    		 ethyl 4-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoate
    35481
    RCV
    ZINC000019722807    		 3 C10 H13 N O3 InChI=1S/C10H13NO3/c1-13-
    10(12)7-14-9-4-2-3-8(5-9)
    6-11/h2-5H,6-7,11H2,1H3;
    HUXMCFLTUUEWMA-UHFFFAOYSA-N    		 c1ccc(CN)cc1OCC(=O)OC; COC(=O)COc1cccc(C
    N)c1; COC(=O)COc1cccc(c1)CN    		 methyl [3-(aminomethyl)phenoxy]acetate
    35482
    RCW
    CHEMBL4847829    		 4 C8 H7 Br N4 InChI=1S/C8H7BrN4/c9-5-1-
    2-7(10)6(3-5)8-11-4-12-13
    -8/h1-4H,10H2,(H,11,12,13
    );
    OCWUWXKYIUUICS-UHFFFAOYSA-N    		 c1cc(c(cc1Br)c2[nH]cnn2)N; Nc1ccc(Br)cc1
    c2[nH]cnn2    		 4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline;
    MMG-0752
    35483
    RCX
    CHEMBL122
    DB00533
    ZINC000000007455    		 2 C17 H14 O4 S InChI=1S/C17H14O4S/c1-22(
    19,20)14-9-7-12(8-10-14)1
    5-11-21-17(18)16(15)13-5-
    3-2-4-6-13/h2-10H,11H2,1H
    3;
    RZJQGNCSTQAWON-UHFFFAOYSA-N    		 CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3cccc
    c3; C[S](=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)
    c3ccccc3    		 Rofecoxib;
    Vioxx
    35484
    RCY    		 9 C12 H19 N2 O3 InChI=1S/C12H20N2O3/c1-11
    (2)7-8(12(3,4)14(11)17)13
    -9(15)5-6-10(13)16/h8,17H
    ,5-7H2,1-4H3/t8-/m1/s1;
    BGLGHMPQDJUKJG-MRVPVSSYSA-N    		 CC1(CC(C(N1[O])(C)C)N2C(=O)CCC2=O)C; CC1
    (C)C[C@@H](N2C(=O)CCC2=O)C(C)(C)N1[O]; O
    N2C(CC(N1C(=O)CCC1=O)C2(C)C)(C)C; CC1(C)
    C[CH](N2C(=O)CCC2=O)C(C)(C)N1[O]; CC1(C[
    C@H](C(N1[O])(C)C)N2C(=O)CCC2=O)C    		 (3'R)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione;
    3-Maleimido-PROXYL (bound form)
    35485
    RCZ    		 0 C38 H21 Cl N12 Ru InChI=1S/C18H9ClN4.2C10H6
    N4.Ru/c19-10-5-6-13-14(9-
    10)23-18-12-4-2-8-21-16(1
    2)15-11(17(18)22-13)3-1-7
    -20-15;2*1-2-8-10(14-6-4-
    12-8)9-7(1)11-3-5-13-9;/h
    1-9H;2*1-6H;/q;;;+2;
    CYFOMPOAWAYEMX-UHFFFAOYSA-N    		 [Ru++]|1|2|3(|n4cccc5c4c6n|1cccc6c7nc8cc
    (Cl)ccc8nc57)(|n9ccnc%10ccc%11nccn|2c%11
    c9%10)|n%12ccnc%13ccc%14nccn|3c%14c%12%1
    3; c1cc2c(cc1Cl)nc3c(n2)C4=C5C6=[N](C=CC
    =C36)[Ru+2]78([N]5=CC=C4)([N]9=CC=Nc1c9c
    2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N
    =CC=[N]81; Clc2ccc1nc3c6c5c4c(c3nc1c2)cc
    cn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8n
    ccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%1
    4ncc%13    		 Ru(TAP)2(Cl-dppz) complex
    35486
    RD0    		 2 C28 H38 N4 S InChI=1S/C28H38N4S/c1-2-1
    2-28(13-3-1,32-16-4-5-17-
    32)26-21-30-27(33-26)24-6
    -7-25-23(20-24)11-19-31(2
    5)18-10-22-8-14-29-15-9-2
    2/h6-7,11,19-22,29H,1-5,8
    -10,12-18H2;
    KBPMYBYNCAAYSC-UHFFFAOYSA-N    		 C1CCCCC1(c5sc(c2cc3c(cc2)n(cc3)CCC4CCNCC
    4)nc5)N6CCCC6; c1cc2c(ccn2CCC3CCNCC3)cc1
    c4ncc(s4)C5(CCCCC5)N6CCCC6; C1CCC(CC1)(N
    2CCCC2)c3sc(nc3)c4ccc5n(CCC6CCNCC6)ccc5c
    4    		 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
    35487
    RD1
    CHEMBL4300344    		 4 C11 H13 O10 P3 InChI=1S/C11H13O10P3/c12-
    22(13,14)11(23(15,16)17)9
    -2-1-8-6-10(21-24(18,19)2
    0)4-3-7(8)5-9/h1-6,11H,(H
    2,12,13,14)(H2,15,16,17)(
    H2,18,19,20);
    FARIWUCMYLLPRF-UHFFFAOYSA-N    		 c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)
    P(=O)(O)O; c1cc(cc2c1cc(cc2)C(P(O)(=O)O)
    P(O)(=O)O)OP(=O)(O)O; O[P](O)(=O)Oc1ccc2
    cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O    		 {[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid)
    35488
    RD2
    CHEMBL4302496    		 4 C11 H12 O7 P2 InChI=1S/C11H12O7P2/c12-1
    0-4-3-7-5-9(2-1-8(7)6-10)
    11(19(13,14)15)20(16,17)1
    8/h1-6,11-12H,(H2,13,14,1
    5)(H2,16,17,18);
    KBQHMDQNDJAVLF-UHFFFAOYSA-N    		 Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)
    =O; Oc1ccc2c(c1)ccc(C(P(O)(O)=O)P(O)(=O)
    O)c2; c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=
    O)(O)O    		 [(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)
    35489
    RD3
    CHEMBL4300669    		 4 C7 H11 O10 P3 InChI=1S/C7H11O10P3/c8-18
    (9,10)7(19(11,12)13)5-1-3
    -6(4-2-5)17-20(14,15)16/h
    1-4,7H,(H2,8,9,10)(H2,11,
    12,13)(H2,14,15,16);
    UEGWOUOGLFXILR-UHFFFAOYSA-N    		 O[P](O)(=O)Oc1ccc(cc1)C([P](O)(O)=O)[P](
    O)(O)=O; C(c1ccc(cc1)OP(=O)(O)O)(P(=O)(O
    )O)P(=O)(O)O; c1cc(ccc1C(P(=O)(O)O)P(=O)
    (O)O)OP(=O)(O)O    		 {[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid)
    35490
    RD4
    ZINC000001444885    		 11 C9 H12 N2 O InChI=1S/C9H12N2O/c1-2-12
    -8-5-3-4-7(6-8)9(10)11/h3
    -6H,2H2,1H3,(H3,10,11);
    OZPMVTBYBADRPR-UHFFFAOYSA-N    		 c1c(cc(C(=N)\N)cc1)OCC; CCOc1cccc(c1)C(N
    )=N; [H]/N=C(\c1cccc(c1)OCC)/N; CCOc1ccc
    c(c1)C(=N)N    		 3-ethoxybenzene-1-carboximidamide
    35491
    RD5    		 2 C19 H18 Cl N3 O3 S InChI=1S/C19H18ClN3O3S/c1
    -27(25,26)22-11-13-6-7-16
    (20)8-15(13)9-19(24)23-18
    -12-21-10-14-4-2-3-5-17(1
    4)18/h2-8,10,12,22H,9,11H
    2,1H3,(H,23,24);
    NPWJYOOGEVTHDL-UHFFFAOYSA-N    		 C[S](=O)(=O)NCc1ccc(Cl)cc1CC(=O)Nc2cncc3
    ccccc23; CS(=O)(=O)NCc1ccc(Cl)cc1CC(=O)N
    c1cncc2ccccc21; CS(=O)(=O)NCc1ccc(cc1CC(
    =O)Nc2cncc3c2cccc3)Cl    		 2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phenyl)-N-(isoquinolin-4-yl)acetamide
    35492
    RD6    		 1 C18 H16 Br F N4 O2 InChI=1S/C18H16BrFN4O2/c1
    9-10-2-3-11-12(6-10)23-14
    -13(11)15(22-9-21-14)24-7
    -17(4-1-5-17)18(20,8-24)1
    6(25)26/h2-3,6,9H,1,4-5,7
    -8H2,(H,25,26)(H,21,22,23
    )/t18-/m0/s1;
    RIJVOOFUJLZCSA-SFHVURJKSA-N    		 OC(=O)[C]1(F)CN(CC12CCC2)c3ncnc4[nH]c5cc
    (Br)ccc5c34; OC(=O)[C@@]1(F)CN(CC12CCC2)
    c3ncnc4[nH]c5cc(Br)ccc5c34; c1cc2c(cc1Br
    )[nH]c3c2c(ncn3)N4CC5(CCC5)C(C4)(C(=O)O)
    F; O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3c
    c(Br)ccc3c12; c1cc2c(cc1Br)[nH]c3c2c(ncn
    3)N4C[C@@](C5(C4)CCC5)(C(=O)O)F    		 (8S)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
    35493
    RD7    		 2 C27 H37 N5 S InChI=1S/C27H37N5S/c1-2-9
    -27(10-3-1,32-13-4-5-14-3
    2)25-21-29-26(33-25)23-6-
    7-24-22(20-23)8-15-31(24)
    19-18-30-16-11-28-12-17-3
    0/h6-8,15,20-21,28H,1-5,9
    -14,16-19H2;
    PWLNVBJHVGPQID-UHFFFAOYSA-N    		 c1cc2c(ccn2CCN3CCNCC3)cc1c4ncc(s4)C5(CCC
    CC5)N6CCCC6; C1CCC(CC1)(N2CCCC2)c3sc(nc3
    )c4ccc5n(CCN6CCNCC6)ccc5c4; C1CCCCC1(c5s
    c(c3cc2ccn(c2cc3)CCN4CCNCC4)nc5)N6CCCC6    		 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
    35494
    RD8
    CHEMBL455461
    DB12339
    ZINC000040379938    		 0 C22 H23 F N6 O3 InChI=1S/C22H23FN6O3/c1-1
    4(30)25-12-19-13-29(22(31
    )32-19)18-6-7-20(21(23)8-
    18)16-4-2-15(3-5-16)9-24-
    10-17-11-26-28-27-17/h2-8
    ,11,19,24H,9-10,12-13H2,1
    H3,(H,25,30)(H,26,27,28)/
    t19-/m0/s1;
    BTTNOGHPGJANSW-IBGZPJMESA-N    		 CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(c(F)c2)c3c
    cc(CNCc4c[nH]nn4)cc3; CC(=O)NC[C@H]1CN(C
    (=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]
    nn4; CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(F)
    c2)c3ccc(CNCc4c[nH]nn4)cc3; CC(=O)NCC1CN
    (C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[n
    H]nn4; c3(F)c(c1ccc(cc1)CNCc2cnnn2)ccc(c
    3)N4CC(OC4=O)CNC(C)=O    		 Radezolid;
    RX-1741
    35495
    RD9    		 1 C14 H14 F3 N O3 InChI=1S/C14H14F3NO3/c1-2
    1-13(20)6-5-12(19)18-8-7-
    9-10(14(15,16)17)3-2-4-11
    (9)18/h2-4H,5-8H2,1H3;
    ZCVAYWXZXDNCFC-UHFFFAOYSA-N    		 COC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F methyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate
    35496
    RDA
    DB08464
    ZINC000024798681    		 3 C18 H18 Cl N O8 InChI=1S/C18H18ClNO8/c1-2
    7-14-7-10(21)9(5-11(14)22
    )20-15(25)4-3-8-16(18(26)
    28-2)12(23)6-13(24)17(8)1
    9/h5-7,21-24H,3-4H2,1-2H3
    ,(H,20,25);
    GUVWEHNRWHNDRF-UHFFFAOYSA-N    		 COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc2cc(O)
    c(OC)cc2O; COc1cc(c(cc1O)NC(=O)CCc2c(c(c
    c(c2Cl)O)O)C(=O)OC)O; Clc1c(c(c(O)cc1O)C
    (=O)OC)CCC(=O)Nc2cc(O)c(OC)cc2O    		 METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE
    35497
    RDC
    CHEMBL414883
    DB03758
    ZINC000013521629    		 17 C18 H17 Cl O6 InChI=1S/C18H17ClO6/c1-9-
    6-15-14(25-15)5-3-2-4-10(
    20)7-11-16(18(23)24-9)12(
    21)8-13(22)17(11)19/h2-5,
    8-9,14-15,21-22H,6-7H2,1H
    3/b4-2+,5-3-/t9-,14-,15-/
    m1/s1;
    WYZWZEOGROVVHK-GTMNPGAYSA-N    		 CC1CC2C(O2)C=CC=CC(=O)Cc3c(c(cc(c3Cl)O)O
    )C(=O)O1; C[C@@H]1C[C@@H]2[C@H](O2)\C=C/
    C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1; C[C
    @@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc3c(C
    l)c(O)cc(O)c3C(=O)O1; O=C2C=CC=CC3OC3CC(
    OC(=O)c1c(O)cc(O)c(Cl)c1C2)C; C[CH]1C[CH
    ]2O[CH]2C=CC=CC(=O)Cc3c(Cl)c(O)cc(O)c3C(
    =O)O1    		 RADICICOL;
    MONORDEN
    35498
    RDD    		 1 C8 H11 N3 O7 InChI=1S/C8H11N3O7/c12-1-
    2-3(13)4(14)5(18-2)11-7(1
    6)9-6(15)10-8(11)17/h2-5,
    12-14H,1H2,(H2,9,10,15,16
    ,17)/t2-,3-,4-,5-/m1/s1;
    DKOBRNXETUUICC-TXICZTDVSA-N    		 OC[CH]1O[CH]([CH](O)[CH]1O)N2C(=O)NC(=O)
    NC2=O; C(C1C(C(C(O1)N2C(=O)NC(=O)NC2=O)O
    )O)O; C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C
    (=O)NC(=O)NC2=O)O)O)O; O=C1N(C(=O)NC(=O)
    N1)C2OC(C(O)C2O)CO; OC[C@H]1O[C@H]([C@H]
    (O)[C@@H]1O)N2C(=O)NC(=O)NC2=O    		 1-beta-D-ribofuranosyl-1,3,5-triazinane-2,4,6-trione
    35499
    RDE
    DB08465
    ZINC000036470929    		 3 C18 H20 Cl N O7 InChI=1S/C18H20ClNO7/c1-2
    4-15-7-12(20)16(25-2)9(17
    (15)26-3)4-5-27-18(23)10-
    6-11(19)14(22)8-13(10)21/
    h6-8,21-22H,4-5,20H2,1-3H
    3;
    DFYGLJKFZQGYPA-UHFFFAOYSA-N    		 COc1cc(N)c(OC)c(CCOC(=O)c2cc(Cl)c(O)cc2O
    )c1OC; Clc1cc(c(O)cc1O)C(=O)OCCc2c(OC)c(
    N)cc(OC)c2OC; COc1cc(c(c(c1OC)CCOC(=O)c2
    cc(c(cc2O)O)Cl)OC)N    		 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE
    35500
    RDF
    CHEMBL479579
    DB02557
    ZINC000004475339    		 14 C23 H34 N3 O10 P InChI=1S/C23H34N3O10P/c1-
    11(2)8-16(26-37(33,34)36-
    23-20(29)19(28)18(27)12(3
    )35-23)21(30)25-17(22(31)
    32)9-13-10-24-15-7-5-4-6-
    14(13)15/h4-7,10-12,16-20
    ,23-24,27-29H,8-9H2,1-3H3
    ,(H,25,30)(H,31,32)(H2,26
    ,33,34)/t12-,16-,17-,18-,
    19+,20+,23-/m0/s1;
    ZPHBZEQOLSRPAK-XLCYBJAPSA-N    		 CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(C
    c2c[nH]c3c2cccc3)C(=O)O)O)O)O)O; O=P(OC1
    OC(C(O)C(O)C1O)C)(O)NC(C(=O)NC(C(=O)O)Cc
    3c2ccccc2nc3)CC(C)C; C[C@H]1[C@@H]([C@H]
    ([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)
    C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)
    O)O)O)O; CC(C)C[C@H](N[P@@](O)(=O)O[C@@H
    ]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=
    O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O; CC(C
    )C[CH](N[P](O)(=O)O[CH]1O[CH](C)[CH](O)[
    CH](O)[CH]1O)C(=O)N[CH](Cc2c[nH]c3ccccc2
    3)C(O)=O    		 N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN;
    PHOSPHORAMIDON
    35501
    RDG
    ZINC000263620347    		 0 C15 H18 N5 O8 P InChI=1S/C15H18N5O8P/c21-
    9-4-11(28-10(9)6-27-29(23
    ,24)25)20-7-17-12-13(20)1
    8-15(19-14(12)22)16-5-8-2
    -1-3-26-8/h1-3,7,9-11,21H
    ,4-6H2,(H2,23,24,25)(H2,1
    6,18,19,22)/t9-,10+,11+/m
    0/s1;
    DBFJIGOYTNZKTK-HBNTYKKESA-N    		 O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2c
    nc3C(=O)NC(=Nc23)NCc4occc4; c1cc(oc1)CNC
    2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O
    )(O)O)O)C(=O)N2; O[CH]1C[CH](O[CH]1CO[P]
    (O)(O)=O)n2cnc3C(=O)NC(=Nc23)NCc4occc4;
    c1cc(oc1)CNC2=Nc3c(ncn3C4CC(C(O4)COP(=O)
    (O)O)O)C(=O)N2; O=P(O)(O)OCC4OC(n3cnc2c3
    N=C(NCc1occc1)NC2=O)CC4O    		 2'-deoxy-N-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate);
    N2-furfuryl-deoxyguanosine-5'-monophosphate
    35502
    RDH
    ZINC000013435098    		 10 C10 H8 O5 InChI=1S/C10H8O5/c1-6(9(1
    1)12)15-8-4-2-3-7(5-8)10(
    13)14/h2-5H,1H2,(H,11,12)
    (H,13,14);
    HGVAHYJMDVROLE-UHFFFAOYSA-N    		 C=C(C(=O)O)Oc1cccc(c1)C(=O)O; OC(=O)C(=C
    )Oc1cccc(c1)C(O)=O    		 3-[(1-Carboxyvinyl)oxy]benzoic acid;
    3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid
    35503
    RDI    		 1 C18 H23 Cl O6 InChI=1S/C18H23ClO6/c1-9-
    6-15-14(25-15)5-3-2-4-10(
    20)7-11-16(18(23)24-9)12(
    21)8-13(22)17(11)19/h9,11
    ,14-17H,2-8H2,1H3/t9-,11-
    ,14-,15-,16?,17+/m1/s1;
    AECPBJMOGBFQDN-NIODCRKGSA-N    		 C[CH]1C[CH]2O[CH]2CCCCC(=O)C[CH]3[CH](Cl
    )C(=O)CC(=O)[CH]3C(=O)O1; O=C2CC(=O)C(Cl
    )C3CC(=O)CCCCC1OC1CC(OC(=O)C23)C; C[C@@H
    ]1C[C@@H]2[C@H](O2)CCCCC(=O)CC3C(C(=O)CC
    (=O)C3Cl)C(=O)O1; CC1CC2C(O2)CCCCC(=O)CC
    3C(C(=O)CC(=O)C3Cl)C(=O)O1; C[C@@H]1C[C@
    H]2O[C@@H]2CCCCC(=O)C[C@H]3[C@H](Cl)C(=O
    )CC(=O)[C@H]3C(=O)O1    		 RADICICOL
    35504
    RDJ
    ZINC000006843211    		 3 C9 H15 N3 O2 S InChI=1S/C9H15N3O2S/c1-4-
    10-7(13)5-15-9-12-11-8(14
    -9)6(2)3/h6H,4-5H2,1-3H3,
    (H,10,13);
    DWIDCIXKOJCTSJ-UHFFFAOYSA-N    		 c1(SCC(=O)NCC)nnc(o1)C(C)C; CCNC(=O)CSc1
    oc(nn1)C(C)C; CCNC(=O)CSc1nnc(o1)C(C)C    		 N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
    35505
    RDK    		 2 C19 H16 Cl N3 O3 S InChI=1S/C19H16ClN3O3S/c1
    -19(11-22-27(25,26)17-7-6
    -13(20)8-15(17)19)18(24)2
    3-16-10-21-9-12-4-2-3-5-1
    4(12)16/h2-10,22H,11H2,1H
    3,(H,23,24)/t19-/m1/s1;
    PHRFKYXEKRVOIU-LJQANCHMSA-N    		 C[C@]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)N
    c3cncc4ccccc34; CC1(CNS(=O)(=O)c2c1cc(cc
    2)Cl)C(=O)Nc3cncc4c3cccc4; Clc1ccc2c(c1)
    C(C)(CNS2(=O)=O)C(=O)Nc1cncc2ccccc21; C[
    C@]1(CNS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cn
    cc4c3cccc4; C[C]1(CN[S](=O)(=O)c2ccc(Cl)
    cc12)C(=O)Nc3cncc4ccccc34    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
    35506
    RDL
    DB02214
    ZINC000013543028    		 23 C11 H14 N4 O8 InChI=1S/C11H14N4O8/c16-2
    -4(18)6(19)3(17)1-15-7-5(
    12-9(21)10(15)22)8(20)14-
    11(23)13-7/h3-4,6,16-19H,
    1-2H2,(H,12,21)(H2,13,14,
    20,23)/t3-,4+,6-/m0/s1;
    MIBROOURCUHKMD-RPDRRWSUSA-N    		 OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C(=O)C(=
    O)NC2=C1NC(=O)NC2=O; OC[CH](O)[CH](O)[CH
    ](O)CN1C(=O)C(=O)NC2=C1NC(=O)NC2=O; O=C1
    NC2=C(C(=O)N1)NC(=O)C(=O)N2CC(O)C(O)C(O)
    CO; C(C(C(C(CO)O)O)O)N1C2=C(C(=O)NC(=O)N
    2)NC(=O)C1=O; C([C@@H]([C@@H]([C@@H](CO)
    O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O    		 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE
    35507
    RDM
    ZINC000000135380    		 2 C12 H15 N O3 InChI=1S/C12H15NO3/c1-9(1
    4)13-11(12(15)16)8-7-10-5
    -3-2-4-6-10/h2-6,11H,7-8H
    2,1H3,(H,13,14)(H,15,16)/
    t11-/m1/s1;
    CNQZAOFOKXXEOB-LLVKDONJSA-N    		 CC(=O)NC(CCc1ccccc1)C(=O)O; CC(=O)N[C@H]
    (CCc1ccccc1)C(O)=O; CC(=O)N[CH](CCc1cccc
    c1)C(O)=O; C(c1ccccc1)CC(C(=O)O)NC(=O)C;
    CC(=O)N[C@H](CCc1ccccc1)C(=O)O    		 (2R)-2-(acetylamino)-4-phenylbutanoic acid
    35508
    RDN    		 1 C18 H18 N4 O2 InChI=1S/C18H18N4O2/c23-1
    7(24)12-8-22(9-18(12)6-3-
    7-18)16-14-11-4-1-2-5-13(
    11)21-15(14)19-10-20-16/h
    1-2,4-5,10,12H,3,6-9H2,(H
    ,23,24)(H,19,20,21)/t12-/
    m1/s1;
    GCIZFGPLNCVZMB-GFCCVEGCSA-N    		 c1ccc2c(c1)c3c([nH]2)ncnc3N4C[C@@H](C5(C
    4)CCC5)C(=O)O; OC(=O)[CH]1CN(CC12CCC2)c3
    ncnc4[nH]c5ccccc5c34; c1ccc2c(c1)c3c([nH
    ]2)ncnc3N4CC(C5(C4)CCC5)C(=O)O; O=C(O)C1
    CN(CC21CCC2)c1ncnc2[NH]c3ccccc3c12; OC(=
    O)[C@H]1CN(CC12CCC2)c3ncnc4[nH]c5ccccc5c
    34    		 (8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
    35509
    RDO    		 1 C15 H16 F3 N O3 InChI=1S/C15H16F3NO3/c1-2
    -22-14(21)7-6-13(20)19-9-
    8-10-11(15(16,17)18)4-3-5
    -12(10)19/h3-5H,2,6-9H2,1
    H3;
    ZUBJCDWADSBMLA-UHFFFAOYSA-N    		 CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate;
    (2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA N-3,4-DIOL;
    NEOMYCIN A;
    NEAMINE;
    (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucoside;
    (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-D-glucoside;
    (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-glucoside
    35510
    RDP    		 0 C5 H11 O8 P InChI=1/C5H11O8P/c6-1-2-3
    (7)4(8)5(12-2)13-14(9,10)
    11/h2-8H,1H2,(H2,9,10,11)
    /t2-,3-,4-,5-/m1/s1/f/h9-
    10H;
    YXJDFQJKERBOBM-MGGMCEATDD    		 C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O
    )O)O)O; C(C1C(C(C(O1)OP(=O)(O)O)O)O)O; O
    C[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H
    ]1O; OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[C
    H]1O; O=P(OC1OC(C(O)C1O)CO)(O)O    		 ALPHA-D-RIBOSE-1-PHOSPHATE
    35511
    RDQ    		 2 C23 H22 Cl N5 O5 S InChI=1S/C23H22ClN5O5S/c1
    -25-21(30)12-29-11-19(18-
    7-14(24)4-6-16(18)23(29)3
    2)22(31)27-20-10-26-9-13-
    3-5-15(8-17(13)20)28-35(2
    ,33)34/h3-10,19,28H,11-12
    H2,1-2H3,(H,25,30)(H,27,3
    1)/t19-/m1/s1;
    KEXXOTYEALJBRL-LJQANCHMSA-N    		 CNC(=O)CN1C[CH](C(=O)Nc2cncc3ccc(N[S](C)
    (=O)=O)cc23)c4cc(Cl)ccc4C1=O; CNC(=O)CN1
    CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cc(cc
    4)NS(=O)(=O)C; CNC(=O)CN1C[C@@H](C(=O)Nc
    2cncc3ccc(N[S](C)(=O)=O)cc23)c4cc(Cl)ccc
    4C1=O; CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)
    C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21; CNC(=O
    )CN1C[C@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc
    4c3cc(cc4)NS(=O)(=O)C    		 (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35512
    RDR
    CHEMBL157813
    ZINC000002047638    		 1 C22 H21 Cl N4 O4 S2 InChI=1S/C22H21ClN4O4S2/c
    23-17-2-1-15-10-22(32-20(
    15)11-17)33(30,31)26-6-5-
    25(21(29)14-26)13-18-9-16
    -12-24-4-3-19(16)27(18)7-
    8-28/h1-4,9-12,28H,5-8,13
    -14H2;
    NZNFLUOJACWZKX-UHFFFAOYSA-N    		 OCCn1c(CN2CCN(CC2=O)[S](=O)(=O)c3sc4cc(C
    l)ccc4c3)cc5cnccc15; c1cc(cc2c1cc(s2)S(=
    O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO
    )Cl; O=C3N(Cc2cc1cnccc1n2CCO)CCN(C3)S(=O
    )(=O)c5sc4cc(Cl)ccc4c5; c1cc(cc2c1cc(s2)
    S(=O)(=O)N3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO
    )Cl    		 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE
    35513
    RDS    		 9 C14 H16 Cl N3 O S InChI=1S/C14H16ClN3OS/c1-
    3-9(2)19-13-8-12(16)17-14
    (18-13)20-11-6-4-5-10(15)
    7-11/h4-9H,3H2,1-2H3,(H2,
    16,17,18)/t9-/m1/s1;
    YBCXWCRIGXVZRG-SECBINFHSA-N    		 CCC(C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N; CC[C@
    @H](C)Oc1cc(N)nc(Sc2cccc(Cl)c2)n1; CC[C@
    @H](C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N; CC[CH
    ](C)Oc1cc(N)nc(Sc2cccc(Cl)c2)n1    		 6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine
    35514
    RDT
    ZINC000049110143    		 1 C12 H18 N2 O4 S InChI=1S/C12H18N2O4S/c1-8
    -10-7-12(18-3)11(17-2)6-9
    (10)4-5-14(8)19(13,15)16/
    h6-8H,4-5H2,1-3H3,(H2,13,
    15,16)/t8-/m1/s1;
    GUJQIHRSATWPQA-MRVPVSSYSA-N    		 COc1cc2CCN([CH](C)c2cc1OC)[S](N)(=O)=O;
    COc1cc2CCN([C@H](C)c2cc1OC)[S](N)(=O)=O;
    C[C@@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)
    OC; O=S(=O)(N)N2C(c1c(cc(OC)c(OC)c1)CC2)
    C; CC1c2cc(c(cc2CCN1S(=O)(=O)N)OC)OC    		 (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide
    35515
    RDU    		 1 C18 H19 F N4 O2 InChI=1S/C18H19FN4O2/c19-
    11-2-3-13-14(6-11)22-16-1
    5(13)17(21-10-20-16)23-7-
    12(8-24)25-18(9-23)4-1-5-
    18/h2-3,6,10,12,24H,1,4-5
    ,7-9H2,(H,20,21,22)/t12-/
    m1/s1;
    LYLUBGOVYDDPIC-GFCCVEGCSA-N    		 OC[CH]1CN(CC2(CCC2)O1)c3ncnc4[nH]c5cc(F)
    ccc5c34; Fc1ccc2c3c([NH]c2c1)ncnc3N1CC2(
    CCC2)OC(C1)CO; c1cc2c(cc1F)[nH]c3c2c(ncn
    3)N4C[C@@H](OC5(C4)CCC5)CO; c1cc2c(cc1F)
    [nH]c3c2c(ncn3)N4CC(OC5(C4)CCC5)CO; OC[C
    @H]1CN(CC2(CCC2)O1)c3ncnc4[nH]c5cc(F)ccc
    5c34    		 [(6R)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]methanol
    35516
    RDV
    CHEMBL4578549
    ZINC000000245523    		 6 C12 H22 N2 O InChI=1S/C12H22N2O/c15-12
    (14-9-7-13-8-10-14)6-5-11
    -3-1-2-4-11/h11,13H,1-10H
    2;
    PUCYMVZANVWWKV-UHFFFAOYSA-N    		 C2C(CCC(=O)N1CCNCC1)CCC2; C1CCC(C1)CCC(=
    O)N2CCNCC2; O=C(CCC1CCCC1)N2CCNCC2    		 3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
    35517
    RDX    		 2 C22 H23 Cl N4 O4 S InChI=1S/C22H23ClN4O4S/c1
    -26(8-9-28)32(30,31)27-13
    -16-6-7-17(23)10-19(16)20
    (14-27)22(29)25-21-12-24-
    11-15-4-2-3-5-18(15)21/h2
    -7,10-12,20,28H,8-9,13-14
    H2,1H3,(H,25,29)/t20-/m1/
    s1;
    RGTAJMPNICITLK-HXUWFJFHSA-N    		 CN(CCO)[S](=O)(=O)N1C[CH](C(=O)Nc2cncc3c
    cccc23)c4cc(Cl)ccc4C1; OCCN(C)S(=O)(=O)N
    1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;
    CN(CCO)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)N
    c3cncc4c3cccc4)Cl; CN(CCO)S(=O)(=O)N1Cc2
    ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl
    ; CN(CCO)[S](=O)(=O)N1C[C@@H](C(=O)Nc2cn
    cc3ccccc23)c4cc(Cl)ccc4C1    		 (4S)-6-chloro-2-[(2-hydroxyethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35518
    RDY
    ZINC000002526285    		 1 C12 H15 N O4 InChI=1S/C12H15NO4/c1-9(1
    1(14)15)13(2)12(16)17-8-1
    0-6-4-3-5-7-10/h3-7,9H,8H
    2,1-2H3,(H,14,15)/t9-/m0/
    s1;
    QGEQKVZQPWSOTI-VIFPVBQESA-N    		 CC(C(=O)O)N(C)C(=O)OCc1ccccc1; O(Cc1cccc
    c1)C(=O)N(C(C(O)=O)C)C; C[C@H](N(C)C(=O)
    OCc1ccccc1)C(O)=O; C[C@@H](C(=O)O)N(C)C(
    =O)OCc1ccccc1; C[CH](N(C)C(=O)OCc1ccccc1
    )C(O)=O    		 N-[(benzyloxy)carbonyl]-N-methyl-L-alanine
    35519
    RDZ
    ZINC000001532829    		 2 C10 H19 O4 P InChI=1S/C10H19O4P/c1-9(2
    )5-4-6-10(3)7-8-14-15(11,
    12)13/h5,7H,4,6,8H2,1-3H3
    ,(H2,11,12,13)/b10-7+;
    FFOWJDCTFSWUMJ-JXMROGBWSA-N    		 CC(=CCC/C(=C/COP(=O)(O)O)/C)C; CC(C)=CCC
    C(C)=CCO[P](O)(O)=O; CC(=CCCC(=CCOP(=O)(
    O)O)C)C; CC(C)=CCC\C(C)=C\CO[P](O)(O)=O    		 Geranyl phosphate;
    [(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;
    [(2~{E})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate
    35520
    RE    		 10 Re InChI=1S/Re;
    WUAPFZMCVAUBPE-UHFFFAOYSA-N    		 [Re] RHENIUM
    35521
    RE0    		 0 C11 H12 N2 O4 InChI=1S/C11H12N2O4/c12-7
    (9(14)15)5-11(17)6-3-1-2-
    4-8(6)13-10(11)16/h1-4,7,
    17H,5,12H2,(H,13,16)(H,14
    ,15)/t7-,11+/m0/s1;
    BZRCOYDQHJWPQZ-WRWORJQWSA-N    		 N[CH](C[C]1(O)C(=O)Nc2ccccc12)C(O)=O; c1
    ccc2c(c1)[C@@](C(=O)N2)(C[C@@H](C(=O)O)N
    )O; c1ccc2c(c1)C(C(=O)N2)(CC(C(=O)O)N)O;
    N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(O)=O
    ; O=C(O)C(N)CC2(O)c1ccccc1NC2=O    		 3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
    35522
    RE1
    DB01868    		 1 C11 H21 N3 O7 P InChI=1S/C11H22N3O7P/c1-7
    (22(19,20)21)13-9(15)5-3-
    2-4-8(11(17)18)14-10(16)6
    -12/h7-8H,2-6,12H2,1H3,(H
    ,13,15)(H,14,16)(H,17,18)
    (H2,19,20,21)/p-1/t7-,8-/
    m0/s1;
    DREJXTKPUGMERN-YUMQZZPRSA-M    		 CC(NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+])P
    (=O)(O)[O-]; C[CH](NC(=O)CCCC[CH](NC(=O)
    C[NH3+])C([O-])=O)[P](O)([O-])=O; [O-]P(
    =O)(O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH
    3+])C; C[C@@H](NC(=O)CCCC[C@@H](C(=O)[O-
    ])NC(=O)C[NH3+])[P@](=O)(O)[O-]; C[C@@H]
    (NC(=O)CCCC[C@H](NC(=O)C[NH3+])C([O-])=O
    )[P](O)([O-])=O    		 GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE
    35523
    RE2
    CHEMBL111234
    DB08466
    ZINC000000899123    		 2 C14 H14 O3 InChI=1S/C14H14O3/c15-12-
    5-3-10(4-6-12)1-2-11-7-13
    (16)9-14(17)8-11/h3-9,15-
    17H,1-2H2;
    HITJFUSPLYBJPE-UHFFFAOYSA-N    		 c1cc(ccc1CCc2cc(cc(c2)O)O)O; Oc1cc(cc(O)
    c1)CCc2ccc(O)cc2; Oc1ccc(CCc2cc(O)cc(O)c
    2)cc1    		 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol;
    Dihydroresveratrol
    35524
    RE3    		 0 C11 H12 N2 O4 InChI=1S/C11H12N2O4/c12-7
    (9(14)15)5-11(17)6-3-1-2-
    4-8(6)13-10(11)16/h1-4,7,
    17H,5,12H2,(H,13,16)(H,14
    ,15)/t7-,11-/m0/s1;
    BZRCOYDQHJWPQZ-CPCISQLKSA-N    		 N[CH](C[C]1(O)C(=O)Nc2ccccc12)C(O)=O; c1
    ccc2c(c1)C(C(=O)N2)(CC(C(=O)O)N)O; c1ccc
    2c(c1)[C@](C(=O)N2)(C[C@@H](C(=O)O)N)O;
    N[C@@H](C[C@@]1(O)C(=O)Nc2ccccc12)C(O)=O
    ; O=C(O)C(N)CC2(O)c1ccccc1NC2=O    		 3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
    35525
    RE4
    CHEMBL1460702
    ZINC000000073355    		 11 C11 H13 N5 InChI=1S/C11H13N5/c1-8-5-
    10(16-11(12)15-8)14-7-9-3
    -2-4-13-6-9/h2-6H,7H2,1H3
    ,(H3,12,14,15,16);
    DSSCXCDTPABWJX-UHFFFAOYSA-N    		 Cc1cc(NCc2cccnc2)nc(N)n1; c2(nc(NCc1cccn
    c1)cc(n2)C)N; Cc1cc(nc(n1)N)NCc2cccnc2    		 6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
    35526
    RE5
    CHEMBL4797204    		 3 C14 H21 N6 O7 P InChI=1S/C14H21N6O7P/c1-8
    (4-20-6-18-11-12(15)16-5-
    17-13(11)20)27-7-28(25,26
    )19-9(14(23)24)2-3-10(21)
    22/h5-6,8-9H,2-4,7H2,1H3,
    (H,21,22)(H,23,24)(H2,15,
    16,17)(H2,19,25,26)/t8-,9
    +/m1/s1;
    CIXAAKVRZFPIJB-BDAKNGLRSA-N    		 C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH
    ](CCC(O)=O)C(O)=O; CC(Cn1cnc2c1ncnc2N)OC
    P(=O)(NC(CCC(=O)O)C(=O)O)O; C[C@H](Cn1cn
    c2c1ncnc2N)OCP(=O)(N[C@@H](CCC(=O)O)C(=O
    )O)O; C[C@H](Cn1cnc2c(N)ncnc12)OC[P](O)(
    =O)N[C@@H](CCC(O)=O)C(O)=O    		 L-Glutamate Tenofovir;
    (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]pentanedioic acid
    35527
    RE6    		 0 C8 H16 O2 InChI=1S/C8H16O2/c1-3-7(2
    )5-4-6-8(9)10/h7H,3-6H2,1
    -2H3,(H,9,10)/t7-/m1/s1;
    OJTHHBCWUMTZEY-SSDOTTSWSA-N    		 CC[C@@H](C)CCCC(=O)O; CCC(C)CCCC(=O)O; C
    C[CH](C)CCCC(O)=O; CC[C@@H](C)CCCC(O)=O    		 (5R)-5-methylheptanoic acid
    35528
    RE7
    ZINC000042538761    		 2 C13 H16 F N3 InChI=1S/C13H16FN3/c1-11(
    12-3-5-13(14)6-4-12)15-8-
    10-17-9-2-7-16-17/h2-7,9,
    11,15H,8,10H2,1H3/t11-/m1
    /s1;
    GDFKNYCJQSHPRK-LLVKDONJSA-N    		 CC(c1ccc(cc1)F)NCCn2cccn2; C[C@@H](NCCn1
    cccn1)c2ccc(F)cc2; C[C@H](c1ccc(cc1)F)NC
    Cn2cccn2; C[CH](NCCn1cccn1)c2ccc(F)cc2;
    c1cc(ccc1F)C(NCCn2cccn2)C    		 (1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine
    35529
    RE8
    CHEMBL122275
    ZINC000003846900    		 5 C20 H14 N2 O4 S InChI=1S/C20H14N2O4S/c23-
    18-11-9-13-5-1-2-6-14(13)
    20(18)22-21-17-10-12-19(2
    7(24,25)26)16-8-4-3-7-15(
    16)17/h1-12,23H,(H,24,25,
    26)/b22-21+;
    JSAKRLDIZOGQTN-QURGRASLSA-N    		 Oc1ccc2ccccc2c1N=Nc3ccc(c4ccccc34)[S](O)
    (=O)=O; c1ccc2c(c1)ccc(c2/N=N/c3ccc(c4c3
    cccc4)S(=O)(=O)O)O; O=S(=O)(O)c4ccc(/N=N
    /c2c1ccccc1ccc2O)c3ccccc34; c1ccc2c(c1)c
    cc(c2N=Nc3ccc(c4c3cccc4)S(=O)(=O)O)O    		 4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;
    Acid red 88
    35530
    RE9
    DB08467
    ZINC000015475858    		 1 C20 H28 O2 InChI=1S/C20H28O2/c1-14(1
    2-18(21)22)8-6-11-20(5)13
    -17-16(15(20)2)9-7-10-19(
    17,3)4/h6,8,12H,2,7,9-11,
    13H2,1,3-5H3,(H,21,22)/b8
    -6+,14-12+/t20-/m1/s1;
    HEVXQLBAMFMFKU-IAZPEVBMSA-N    		 CC(=CC(=O)O)C=CCC1(CC2=C(C1=C)CCCC2(C)C)
    C; C\C(=C/C(=O)O)\C=C\C[C@@]1(CC2=C(C1=C
    )CCCC2(C)C)C; CC(/C=C/C[C@]1(C)CC2=C(CCC
    C2(C)C)C1=C)=C\C(O)=O; CC(C=CC[C]1(C)CC2
    =C(CCCC2(C)C)C1=C)=CC(O)=O; O=C(O)\C=C(\
    C=C\CC1(C(/C2=C(C1)C(CCC2)(C)C)=C)C)C    		 6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIMETHYL-1-METYLENEINDEN-2-YL)-3-METHYLHEXA-2,4-DIENOIC ACID
    35531
    REA
    CHEMBL38
    DB00755
    ZINC000012358651    		 38 C20 H28 O2 InChI=1S/C20H28O2/c1-15(8
    -6-9-16(2)14-19(21)22)11-
    12-18-17(3)10-7-13-20(18,
    4)5/h6,8-9,11-12,14H,7,10
    ,13H2,1-5H3,(H,21,22)/b9-
    6+,12-11+,15-8+,16-14+;
    SHGAZHPCJJPHSC-YCNIQYBTSA-N    		 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C
    )C; CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)
    C(C)(C)CCC1; CC1=C(C=CC(C)=CC=CC(C)=CC(O
    )=O)C(C)(C)CCC1; CC1=C(C(CCC1)(C)C)/C=C/
    C(=C/C=C/C(=C/C(=O)O)/C)/C; C1(CCCC(=C1\
    C=C\C(=C\C=C\C(=C\C(=O)O)C)C)C)(C)C    		 RETINOIC ACID
    35532
    REB
    CHEMBL1235645
    ZINC000058651050    		 5 C18 H17 N7 InChI=1S/C18H17N7/c19-9-7
    -12-1-5-14(6-2-12)21-18-2
    0-10-8-16(23-18)22-17-11-
    15(24-25-17)13-3-4-13/h1-
    2,5-6,8,10-11,13H,3-4,7H2
    ,(H3,20,21,22,23,24,25);
    YRRRHSNOXWKVDL-UHFFFAOYSA-N    		 N#CCc1ccc(cc1)Nc4nc(Nc2nnc(c2)C3CC3)ccn4
    ; c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc([nH]n3)
    C4CC4; N#CCc1ccc(Nc2nccc(Nc3cc([nH]n3)C4
    CC4)n2)cc1    		 [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
    35533
    REC
    CHEMBL1235646
    ZINC000058651052    		 4 C15 H21 N3 O7 S InChI=1S/C15H21N3O7S/c1-7
    -6-26-12(18-10(7)14(22)23
    )11(15(24)25)17-9(19)5-3-
    2-4-8(16)13(20)21/h8,11-1
    2H,1-6,16H2,(H,17,19)(H,2
    0,21)(H,22,23)(H,24,25)/t
    8-,11+,12-/m1/s1;
    JGKXEMYIHDYWCZ-JFUSQASVSA-N    		 O=C(O)C(N)CCCCC(=O)NC(C(=O)O)C1N=C(\C(=C
    )CS1)C(=O)O; C=C1CS[C@@H](N=C1C(=O)O)[C@
    @H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N; C=C
    1CSC(N=C1C(=O)O)C(C(=O)O)NC(=O)CCCCC(C(=
    O)O)N; N[CH](CCCCC(=O)N[CH]([CH]1SCC(=C)
    C(=N1)C(O)=O)C(O)=O)C(O)=O; N[C@H](CCCCC
    (=O)N[C@@H]([C@H]1SCC(=C)C(=N1)C(O)=O)C(
    O)=O)C(O)=O    		 CEPHALOSPORIN;
    (2R)-2-[(R)-{[(6R)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxy lic acid
    35534
    RED
    CHEMBL1235647
    DB03760
    ZINC000003869601    		 10 C8 H16 O2 S2 InChI=1S/C8H16O2S2/c9-8(1
    0)4-2-1-3-7(12)5-6-11/h7,
    11-12H,1-6H2,(H,9,10)/t7-
    /m1/s1;
    IZFHEQBZOYJLPK-SSDOTTSWSA-N    		 C(CCC(=O)O)CC(CCS)S; C(CCC(=O)O)C[C@H](C
    CS)S; O=C(O)CCCCC(S)CCS; OC(=O)CCCC[C@@H
    ](S)CCS; OC(=O)CCCC[CH](S)CCS    		 DIHYDROLIPOIC ACID
    35535
    REE
    CHEMBL1235648
    ZINC000000003864    		 1 C6 H15 N2 O2 InChI=1S/C6H14N2O2/c1-8(2
    ,3)7-5-4-6(9)10/h7H,4-5H2
    ,1-3H3/p+1;
    PVBQYTCFVWZSJK-UHFFFAOYSA-O    		 C[N+](C)(C)NCCC(=O)O; C[N+](C)(C)NCCC(O)
    =O; O=C(O)CCN[N+](C)(C)C    		 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium
    35536
    REF
    CHEMBL6246
    DB08846
    ZINC000003872446    		 4 C14 H6 O8 InChI=1S/C14H6O8/c15-5-1-
    3-7-8-4(14(20)22-11(7)9(5
    )17)2-6(16)10(18)12(8)21-
    13(3)19/h1-2,15-18H;
    AFSDNFLWKVMVRB-UHFFFAOYSA-N    		 Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c
    34; c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)
    O)O)OC2=O; O=C1Oc3c2c4c1cc(O)c(O)c4OC(=O
    )c2cc(O)c3O    		 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione;
    Ellagic acid, 4,4',5,5',6,6'-Hexahydroxydiphenic acid 2,6,2',6'-dilactone
    35537
    REG
    ZINC000030984714    		 7 C11 H20 N2 O2 InChI=1S/C11H20N2O2/c14-1
    1(13-9-4-1-2-5-9)12-8-10-
    6-3-7-15-10/h9-10H,1-8H2,
    (H2,12,13,14)/t10-/m0/s1;
    GZCFMEFTVSKHDE-JTQLQIEISA-N    		 O=C(NC[C@@H]1CCCO1)NC2CCCC2; C1CCC(C1)NC
    (=O)NCC2CCCO2; C1CCC(C1)NC(=O)NC[C@@H]2C
    CCO2; O=C(NC[CH]1CCCO1)NC2CCCC2    		 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
    35538
    REH    		 1 C13 H14 F N O InChI=1S/C13H14FNO/c1-9(1
    6)15-8-13(6-3-7-13)12-10(
    14)4-2-5-11(12)15/h2,4-5H
    ,3,6-8H2,1H3;
    WXJBYBVEXXHQQN-UHFFFAOYSA-N    		 CC(=O)N1CC2(CCC2)c3c1cccc3F; CC(=O)N1CC2
    (CCC2)c3c(F)cccc13    		 1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone
    35539
    REI    		 4 C6 H6 N2 O4 Re InChI=1S/C3H4N2.3CO.H2O.R
    e/c1-2-5-3-4-1;3*1-2;;/h1
    -3H,(H,4,5);;;;1H2;/q;;;;
    ;+1;
    KPOHHEXTCRHHSE-UHFFFAOYSA-N    		 O|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O
    +])|n1c[nH]cc1; C1=C[N](=CN1)[Re+](C#O)(
    C#O)(C#O)[OH2]    		 Tricarbonyl (aqua) (imidazole) rhenium(I)
    35540
    REJ    		 1 C6 H6 N O6 Re InChI=1S/C3H7NO3.3CO.Re/c
    4-2(1-5)3(6)7;3*1-2;/h2,5
    H,1,4H2,(H,6,7);;;;/q;;;;
    +2/p-1/t2-;;;;/m0..../s1;
    QKENEJKDFPJRFD-AIDJSRAFSA-M    		 C(C1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O;
    C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O
    )O; N1|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C
    -]#[O+])OC(=O)[CH]1CO; N1|[Re+](|[C-]#[O
    +])(|[C-]#[O+])(|[C-]#[O+])OC(=O)[C@@H]1
    CO    		 Tricarbonyl (L-serine) rhenium(I)
    35541
    REK
    CHEMBL4782555    		 3 C13 H19 N6 O7 P InChI=1S/C13H19N6O7P/c1-7
    (3-19-5-17-10-11(14)15-4-
    16-12(10)19)26-6-27(24,25
    )18-8(13(22)23)2-9(20)21/
    h4-5,7-8H,2-3,6H2,1H3,(H,
    20,21)(H,22,23)(H2,14,15,
    16)(H2,18,24,25)/t7-,8-/m
    1/s1;
    YBOHKRVDTZQCCV-HTQZYQBOSA-N    		 C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH
    ](CC(O)=O)C(O)=O; C[C@H](Cn1cnc2c1ncnc2N
    )OCP(=O)(N[C@H](CC(=O)O)C(=O)O)O; C[C@H]
    (Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[C@H](CC
    (O)=O)C(O)=O; CC(Cn1cnc2c1ncnc2N)OCP(=O)
    (NC(CC(=O)O)C(=O)O)O    		 D-Aspartate Tenofovir;
    (2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid
    35542
    REL
    CHEMBL1235649
    ZINC000100004705    		 13 C6 H10 O7 InChI=1S/C6H10O7/c7-1-2(8
    )3(9)4(10)5(11)6(12)13/h1
    -5,8-11H,(H,12,13)/t2-,3+
    ,4-,5-/m0/s1;
    IAJILQKETJEXLJ-QTBDOELSSA-N    		 C(=O)C(C(C(C(C(=O)O)O)O)O)O; O[CH](C=O)[
    CH](O)[CH](O)[CH](O)C(O)=O; C(=O)[C@@H](
    [C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O; O[C@
    @H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O;
    O=C(O)C(O)C(O)C(O)C(O)C=O    		 D-glucuronic acid;
    D-Glucuronate;
    alpha-D-glucofuranuronic acid
    35543
    REM
    CHEMBL31601
    DB00212
    ZINC000004217406    		 2 C33 H50 N4 O6 S InChI=1S/C33H50N4O6S/c1-3
    3(2,3)44(42,43)20-25(16-2
    2-10-6-4-7-11-22)31(40)37
    -28(18-26-19-34-21-35-26)
    32(41)36-27(17-23-12-8-5-
    9-13-23)30(39)29(38)24-14
    -15-24/h4,6-7,10-11,19,21
    ,23-25,27-30,38-39H,5,8-9
    ,12-18,20H2,1-3H3,(H,34,3
    5)(H,36,41)(H,37,40)/t25-
    ,27+,28+,29+,30-/m1/s1;
    UXIGZRQVLGFTOU-VQXQMPIVSA-N    		 CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc
    2cnc[nH]2)C(=O)NC(CC3CCCCC3)C(C(C4CC4)O)
    O; CC(C)(C)[S](=O)(=O)C[C@@H](Cc1ccccc1)
    C(=O)N[C@@H](Cc2[nH]cnc2)C(=O)N[C@@H](CC
    3CCCCC3)[C@@H](O)[C@@H](O)C4CC4; CC(C)(C
    )S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]
    (Cc2cnc[nH]2)C(=O)N[C@@H](CC3CCCCC3)[C@H
    ]([C@H](C4CC4)O)O; CC(C)(C)[S](=O)(=O)C[
    CH](Cc1ccccc1)C(=O)N[CH](Cc2[nH]cnc2)C(=
    O)N[CH](CC3CCCCC3)[CH](O)[CH](O)C4CC4; O
    =S(=O)(C(C)(C)C)CC(C(=O)NC(C(=O)NC(CC1CC
    CCC1)C(O)C(O)C2CC2)Cc3cncn3)Cc4ccccc4    		 Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide;
    remikiren
    35544
    REN
    CHEMBL235212
    ZINC000000895630    		 3 C19 H23 N O4 InChI=1S/C19H23NO4/c1-20-
    7-6-13-10-19(24-3)17(22)1
    1-14(13)15(20)8-12-4-5-18
    (23-2)16(21)9-12/h4-5,9-1
    1,15,21-22H,6-8H2,1-3H3/t
    15-/m0/s1;
    BHLYRWXGMIUIHG-HNNXBMFYSA-N    		 C[N@@]1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)
    OC)O)OC; O(c1ccc(cc1O)CC3c2c(cc(OC)c(O)c
    2)CCN3C)C; CN1CCc2cc(c(cc2C1Cc3ccc(c(c3)
    O)OC)O)OC; COc1ccc(C[C@@H]2N(C)CCc3cc(OC
    )c(O)cc23)cc1O; COc1ccc(C[CH]2N(C)CCc3cc
    (OC)c(O)cc23)cc1O    		 (S)-reticuline;
    (1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
    35545
    REO    		 14 O4 Re InChI=1S/4O.Re/q;;;-1;;
    WPWXHJFQOFOBAC-UHFFFAOYSA-N    		 [O-][Re](=O)(=O)=O PERRHENATE
    35546
    REP    		 15 C15 H8 N2 O3 Re InChI=1S/C12H8N2.3CO.Re/c
    1-3-9-5-6-10-4-2-8-14-12(
    10)11(9)13-7-1;3*1-2;/h1-
    8H;;;;;
    HRZLGVADJDWBIJ-UHFFFAOYSA-N    		 C1=C[N]2=C3C(=C1)C=CC4=CC=C[N](=C43)[Re]
    2(C#O)(C#O)C#O; [Re].[C-]#[O+].[C-]#[O+]
    .[C-]#[O+].c1cnc2c(c1)ccc3cccnc23    		 (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)
    35547
    REQ    		 20 C17 H12 N2 O3 Re InChI=1S/C14H12N2.3CO.Re/
    c1-9-5-7-15-13-11(9)3-4-1
    2-10(2)6-8-16-14(12)13;3*
    1-2;/h3-8H,1-2H3;;;;;
    SINYNGNXCUIFTB-UHFFFAOYSA-N    		 CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C
    3C)(C#O)(C#O)C#O; [Re]|1(|[C-]#[O+])(|[C
    -]#[O+])(|[C-]#[O+])|n2ccc(C)c3ccc4c(C)c
    cn|1c4c23    		 (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)
    35548
    RER    		 0 C7 H15 N O3 InChI=1S/C7H15NO3/c1-4-6(
    10)7(2,8)3-5(9)11-4/h4-6,
    9-10H,3,8H2,1-2H3/t4-,5+,
    6+,7-/m0/s1;
    OIJZDPGKNVKVBL-WNJXEPBRSA-N    		 CC1C(C(CC(O1)O)(C)N)O; C[C@H]1[C@H]([C@@
    ](C[C@@H](O1)O)(C)N)O; C[C@@H]1O[C@@H](O
    )C[C@](C)(N)[C@@H]1O; OC1OC(C(O)C(N)(C)C
    1)C; C[CH]1O[CH](O)C[C](C)(N)[CH]1O    		 vancosamine;
    (1R,3S,4S,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose
    35549
    RES
    CHEMBL116018
    DB04496    		 22 C4 H10 N O8 P InChI=1S/C4H10NO8P/c6-2(1
    -13-14(10,11)12)3(7)4(8)5
    -9/h2-3,6-7,9H,1H2,(H,5,8
    )(H2,10,11,12)/t2-,3-/m1/
    s1;
    JJQQOJRGUHNREK-PWNYCUMCSA-N    		 ONC(=O)[CH](O)[CH](O)CO[P](O)(O)=O; ONC(
    =O)[C@H](O)[C@H](O)CO[P](O)(O)=O; C(C(C(
    C(=O)NO)O)O)OP(=O)(O)O; O=P(O)(O)OCC(O)C
    (O)C(=O)NO; C([C@H]([C@H](C(=O)NO)O)O)OP
    (=O)(O)O    		 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID
    35550
    RET
    CHEMBL81379
    ZINC000004228262    		 847 C20 H28 O InChI=1S/C20H28O/c1-16(8-
    6-9-17(2)13-15-21)11-12-1
    9-18(3)10-7-14-20(19,4)5/
    h6,8-9,11-13,15H,7,10,14H
    2,1-5H3/b9-6+,12-11+,16-8
    +,17-13+;
    NCYCYZXNIZJOKI-OVSJKPMPSA-N    		 CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C
    )C; O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C
    )C)C)C; CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/
    C(=C/C=O)/C)/C; CC1=C(C(CCC1)(C)C)C=CC(=
    CC=CC(=CC=O)C)C; CC(=CC=O)C=CC=C(C)C=CC1
    =C(C)CCCC1(C)C    		 RETINAL
    35551
    REU    		 2 C23 H23 Cl N4 O2 InChI=1S/C23H23ClN4O2/c1-
    14(22(29)25-2)28-12-16-7-
    8-17(24)9-19(16)20(13-28)
    23(30)27-21-11-26-10-15-5
    -3-4-6-18(15)21/h3-11,14,
    20H,12-13H2,1-2H3,(H,25,2
    9)(H,27,30)/t14-,20+/m0/s
    1;
    JYNPSSIRIGNSBA-VBKZILBWSA-N    		 CNC(=O)[CH](C)N1C[CH](C(=O)Nc2cncc3ccccc
    23)c4cc(Cl)ccc4C1; CC(C(=O)NC)N1Cc2ccc(c
    c2C(C1)C(=O)Nc3cncc4c3cccc4)Cl; C[C@@H](
    C(=O)NC)N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cn
    cc4c3cccc4)Cl; CNC(=O)[C@H](C)N1C[C@@H](
    C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1; CNC
    (=O)C(C)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc
    2ccccc21    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35552
    REV
    ZINC000263620885    		 2 C17 H20 O4 InChI=1S/C17H20O4/c1-4-12
    (11-8-6-5-7-9-11)13-10-14
    (18)16(20-2)17(21-3)15(13
    )19/h5-10,12,18-19H,4H2,1
    -3H3/t12-/m0/s1;
    PIKYYJHZIWYFFE-LBPRGKRZSA-N    		 CC[C@@H](c1ccccc1)c2cc(O)c(OC)c(OC)c2O;
    O(c1c(O)c(cc(O)c1OC)C(c2ccccc2)CC)C; CC[
    C@@H](c1ccccc1)c2cc(c(c(c2O)OC)OC)O; CC[
    CH](c1ccccc1)c2cc(O)c(OC)c(OC)c2O; CCC(c
    1ccccc1)c2cc(c(c(c2O)OC)OC)O    		 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol
    35553
    REW
    CHEMBL271240
    ZINC000029126212    		 1 C30 H28 N2 O6 InChI=1S/C30H28N2O6/c1-19
    -26(31-28(38-19)21-8-4-3-
    5-9-21)15-16-37-24-10-6-7
    -20(17-24)18-25-27(30(34)
    35)32(29(25)33)22-11-13-2
    3(36-2)14-12-22/h3-14,17,
    25,27H,15-16,18H2,1-2H3,(
    H,34,35)/t25-,27-/m0/s1;
    DKIUFVFEAUCDLY-BDYUSTAISA-N    		 COc1ccc(cc1)N2[CH]([CH](Cc3cccc(OCCc4nc(
    oc4C)c5ccccc5)c3)C2=O)C(O)=O; COc1ccc(cc
    1)N2[C@@H]([C@H](Cc3cccc(OCCc4nc(oc4C)c5
    ccccc5)c3)C2=O)C(O)=O; Cc1c(nc(o1)c2cccc
    c2)CCOc3cccc(c3)CC4C(N(C4=O)c5ccc(cc5)OC
    )C(=O)O; Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c
    3)C[C@H]4[C@H](N(C4=O)c5ccc(cc5)OC)C(=O)
    O; O=C(O)C2N(c1ccc(OC)cc1)C(=O)C2Cc5cc(O
    CCc3nc(oc3C)c4ccccc4)ccc5    		 (2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-4-OXOAZETIDINE-2-CARBOXYLIC ACID;
    4-[2-(3-{[(2S,3S)-2-carboxy-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]methyl}phenoxy)ethyl]-5-methyl-2-phenyl-1,3-oxazol-3 -ium
    35554
    REX
    DB02578
    ZINC000015599994    		 1 C15 H26 N4 O7 InChI=1S/C15H26N4O7/c1-8(
    13(22)18-9(2)14(23)24)17-
    11(20)6-4-3-5-10(15(25)26
    )19-12(21)7-16/h8-10H,3-7
    ,16H2,1-2H3,(H,17,20)(H,1
    8,22)(H,19,21)(H,23,24)(H
    ,25,26)/t8-,9-,10+/m1/s1;
    RALBRZJHHGWNNU-BBBLOLIVSA-N    		 C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CCCC[C
    @@H](C(=O)[O-])NC(=O)C[NH3+]; C[CH](NC(=
    O)[CH](C)NC(=O)CCCC[CH](NC(=O)C[NH3+])C(
    [O-])=O)C(O)=O; C[C@@H](NC(=O)[C@@H](C)N
    C(=O)CCCC[C@H](NC(=O)C[NH3+])C([O-])=O)C
    (O)=O; O=C(NC(C(=O)O)C)C(NC(=O)CCCCC(C([
    O-])=O)NC(=O)C[NH3+])C; CC(C(=O)NC(C)C(=
    O)O)NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+]    		 GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANYL-D-ALANINE
    35555
    REY
    DB03927
    ZINC000003581164    		 1 C12 H21 N3 O6 InChI=1S/C12H21N3O6/c1-7(
    11(18)19)14-9(16)5-3-2-4-
    8(12(20)21)15-10(17)6-13/
    h7-8H,2-6,13H2,1H3,(H,14,
    16)(H,15,17)(H,18,19)(H,2
    0,21)/t7-,8+/m1/s1;
    ZMQJQOKNTYQVHO-SFYZADRCSA-N    		 CC(C(=O)O)NC(=O)CCCCC(C(=O)[O-])NC(=O)C[
    NH3+]; C[C@H](C(=O)O)NC(=O)CCCC[C@@H](C(
    =O)[O-])NC(=O)C[NH3+]; C[C@@H](NC(=O)CCC
    C[C@H](NC(=O)C[NH3+])C([O-])=O)C(O)=O; O
    =C(NC(C(=O)O)C)CCCCC(C([O-])=O)NC(=O)C[N
    H3+]; C[CH](NC(=O)CCCC[CH](NC(=O)C[NH3+]
    )C([O-])=O)C(O)=O    		 GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE
    35556
    REZ
    ZINC000058649965    		 5 C10 H18 N2 O5 InChI=1S/C10H18N2O5/c1-6(
    9(14)15)12-8(13)5-3-2-4-7
    (11)10(16)17/h6-7H,2-5,11
    H2,1H3,(H,12,13)(H,14,15)
    (H,16,17)/t6-,7-/m1/s1;
    GMHVWLJCMCGBKZ-RNFRBKRXSA-N    		 O=C(O)C(NC(=O)CCCCC(N)C(=O)O)C; C[CH](NC
    (=O)CCCC[CH](N)C(O)=O)C(O)=O; C[C@@H](NC
    (=O)CCCC[C@@H](N)C(O)=O)C(O)=O; C[C@H](C
    (=O)O)NC(=O)CCCC[C@H](C(=O)O)N; CC(C(=O)
    O)NC(=O)CCCCC(C(=O)O)N    		 (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID
    35557
    RF0    		 1 C16 H17 F N4 O3 InChI=1S/C16H17FN4O3/c1-2
    3-13-6-21(5-10(7-22)24-13
    )16-14-11-3-2-9(17)4-12(1
    1)20-15(14)18-8-19-16/h2-
    4,8,10,13,22H,5-7H2,1H3,(
    H,18,19,20)/t10-,13-/m0/s
    1;
    BXWPLXGLKXAQCW-GWCFXTLKSA-N    		 CO[C@@H]1CN(C[C@H](O1)CO)c2c3c4ccc(cc4[n
    H]c3ncn2)F; CO[C@@H]1CN(C[C@@H](CO)O1)c2
    ncnc3[nH]c4cc(F)ccc4c23; CO[CH]1CN(C[CH]
    (CO)O1)c2ncnc3[nH]c4cc(F)ccc4c23; COC1CN
    (CC(CO)O1)c1ncnc2[NH]c3cc(F)ccc3c12; COC
    1CN(CC(O1)CO)c2c3c4ccc(cc4[nH]c3ncn2)F    		 [(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol
    35558
    RF1
    DB08469
    ZINC000053683175    		 1 C16 H21 N3 O3 S InChI=1S/C16H21N3O3S/c1-1
    6(2,3)21-15(20)19-8-6-11(
    7-9-19)14-17-13(18-22-14)
    12-5-4-10-23-12/h4-5,10-1
    1H,6-9H2,1-3H3;
    METBQPRXNZHZMB-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)N1CCC(CC1)c2onc(n2)c3sccc3
    ; O=C(OC(C)(C)C)N3CCC(c1onc(n1)c2sccc2)C
    C3; CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3c
    ccs3    		 tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
    35559
    RF2
    DB08470    		 1 C14 H10 F N3 InChI=1S/C14H10FN3/c15-12
    -8-6-11(7-9-12)14-16-13(1
    7-18-14)10-4-2-1-3-5-10/h
    1-9H,(H,16,17,18);
    KMGPJKOKSYGMJD-UHFFFAOYSA-N    		 Fc1ccc(cc1)c2[nH]c(nn2)c3ccccc3; Fc3ccc(
    c2nnc(c1ccccc1)n2)cc3; c1ccc(cc1)c2[nH]c
    (nn2)c3ccc(cc3)F    		 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole
    35560
    RF3
    CHEMBL1235660
    DB08471    		 1 C17 H17 N3 O2 S2 InChI=1S/C17H17N3O2S2/c21
    -15(11-13-3-1-9-23-13)20-
    7-5-12(6-8-20)17-18-16(19
    -22-17)14-4-2-10-24-14/h1
    -4,9-10,12H,5-8,11H2;
    SJEVDMFUHCVNPM-UHFFFAOYSA-N    		 O=C(Cc1sccc1)N2CCC(CC2)c3onc(n3)c4sccc4;
    c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4ccc
    s4; O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4sc
    cc4    		 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
    35561
    RF4
    CHEMBL1439113
    ZINC000002051956    		 2 C19 H20 N2 O3 S InChI=1S/C19H20N2O3S/c1-1
    3-6-5-7-14(2)18(13)24-10-
    11-25-19-20-15-8-3-4-9-16
    (15)21(19)12-17(22)23/h3-
    9H,10-12H2,1-2H3,(H,22,23
    );
    ZAHFRMHMWCBLOL-UHFFFAOYSA-N    		 Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C; c1
    (c(c(ccc1)C)OCCSc2nc3c(n2CC(O)=O)cccc3)C
    ; Cc1cccc(C)c1OCCSc2nc3ccccc3n2CC(O)=O    		 (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid
    35562
    RF5
    ZINC000027766760    		 8 C5 H10 F O7 P InChI=1S/C5H10FO7P/c6-3-4
    (7)2(13-5(3)8)1-12-14(9,1
    0)11/h2-5,7-8H,1H2,(H2,9,
    10,11)/t2-,3+,4-,5+/m1/s1;
    NOTDWSJIOCLYHZ-LECHCGJUSA-N    		 FC1C(O)C(OC1O)COP(=O)(O)O; O[CH]1O[CH](C
    O[P](O)(O)=O)[CH](O)[CH]1F; C(C1C(C(C(O1
    )O)F)O)OP(=O)(O)O; C([C@@H]1[C@H]([C@@H]
    ([C@H](O1)O)F)O)OP(=O)(O)O; O[C@H]1O[C@H
    ](CO[P](O)(O)=O)[C@@H](O)[C@@H]1F    		 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose;
    Inhibitor arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form;
    2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinose;
    2-deoxy-2-fluoro-5-O-phosphono-D-arabinose;
    2-deoxy-2-fluoro-5-O-phosphono-arabinose
    35563
    RF6    		 1 C8 H13 N3 InChI=1S/C8H13N3/c1-3-6-5
    -7(4-2)11-8(9)10-6/h5H,3-
    4H2,1-2H3,(H2,9,10,11);
    WWRMBPPGHZDJNZ-UHFFFAOYSA-N    		 CCc1cc(nc(n1)N)CC; CCc1cc(CC)nc(N)n1 4,6-diethylpyrimidin-2-amine;
    4,6-bis(ethenyl)pyrimidin-2-amine (precursor);
    4,6-Divinylpyrimidin-2-amine (precursor);
    peptide staple
    35564
    RF7
    ZINC000230570933    		 2 C11 H16 N O5 P InChI=1S/C11H16NO5P/c1-12
    (14)11(13)7-10(8-18(15,16
    )17)9-5-3-2-4-6-9/h2-6,10
    ,14H,7-8H2,1H3,(H2,15,16,
    17)/t10-/m0/s1;
    RGWBBKVQKPJVGW-JTQLQIEISA-N    		 CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O; C
    N(O)C(=O)C[CH](C[P](O)(O)=O)c1ccccc1; CN
    (O)C(=O)C[C@@H](C[P](O)(O)=O)c1ccccc1; C
    N(C(=O)CC(CP(=O)(O)O)c1ccccc1)O; O=P(O)(
    O)CC(c1ccccc1)CC(=O)N(O)C    		 {(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid
    35565
    RF8
    CHEMBL4519590
    ZINC000003861298    		 1 C16 H30 O4 InChI=1S/C16H30O4/c17-15(
    18)13-11-9-7-5-3-1-2-4-6-
    8-10-12-14-16(19)20/h1-14
    H2,(H,17,18)(H,19,20);
    QQHJDPROMQRDLA-UHFFFAOYSA-N    		 C(CCCCCCCC(=O)O)CCCCCCC(=O)O; OC(=O)CCCC
    CCCCCCCCCCC(O)=O    		 hexadecanedioic acid
    35566
    RF9
    DB02370
    ZINC000012501967    		 0 C9 H18 N2 O4 InChI=1S/C9H18N2O4/c1-6(8
    (12)13)11-5-3-2-4-7(10)9(
    14)15/h6-7,11H,2-5,10H2,1
    H3,(H,12,13)(H,14,15)/t6-
    ,7+/m1/s1;
    XCYPSOHOIAZISD-RQJHMYQMSA-N    		 CC(C(=O)O)NCCCCC(C(=O)O)N; C[CH](NCCCC[C
    H](N)C(O)=O)C(O)=O; C[C@@H](NCCCC[C@H](N
    )C(O)=O)C(O)=O; C[C@H](C(=O)O)NCCCC[C@@H
    ](C(=O)O)N; NC(CCCCNC(C)C(O)=O)C(O)=O    		 N~6~-[(1R)-1-carboxyethyl]-L-lysine
    35567
    RFA    		 2 C54 H75 F8 N7 Ru InChI=1S/C34H47F8N3.C10H1
    6N2.C10H12N2.Ru/c1-14-2-4
    -43-21(6-14)22-13-15(3-5-
    44-22)12-20-25(35)27(37)2
    3(28(38)26(20)36)24-29(39
    )31(41)34(32(42)30(24)40)
    45-33-18-8-16-7-17(10-18)
    11-19(33)9-16;2*1-3-7-11-
    9(5-1)10-6-2-4-8-12-10;/h
    6,15-34,45H,2-5,7-13H2,1H
    3;1-8H2;1,4-5,8H,2-3,6-7H
    2;/q3*-2;+8/b;2*10-9-;/t1
    5-,16-,17+,18-,19+,20-,21
    ?,22-,23+,24-,25-,26+,27+
    ,28+,29-,30+,31-,32+,33-,
    34?;;;/m1.../s1;
    QXSHRHKMCRAIGC-QMGQRXOWSA-N    		 CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6
    =C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C
    (C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)C
    C1C3)F)F)F)F; FC4C(F)C(NC3C1CC2CC(C1)CC3
    C2)C(F)C(F)C4C5C(F)C(F)C(C(F)C5F)CC6CC8N
    (CC6)[Ru+2]%11%13(N7CCC(=CC78)C)(n9C=CCC
    c9c%10C=CCCn%10%11)n%14c(c%12n%13CCCC%12
    )CCCC%14; CC1=C[C@H]2[C@H]3C[C@H](CCN3[R
    u++]45(N2CC1)(N6CCCCC6=C7CCCCN47)N8CCC=C
    C8=C9CCC=CN59)C[C@H]%10[C@H](F)[C@@H](F)
    [C@H]([C@H](F)[C@@H]%10F)[C@@H]%11[C@@H]
    (F)[C@@H](F)[C@H](N[C@H]%12C%13CC%14CC(C
    %13)CC%12C%14)[C@@H](F)[C@H]%11F; CC1=C[
    CH]2[CH]3C[CH](CCN3[Ru++]45(N2CC1)(N6CCC
    CC6=C7CCCCN47)N8CCC=CC8=C9CCC=CN59)C[CH]
    %10[CH](F)[CH](F)[CH]([CH](F)[CH]%10F)[C
    H]%11[CH](F)[CH](F)[CH](N[CH]%12C%13CC%1
    4CC(C%13)CC%12C%14)[CH](F)[CH]%11F    		 DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II)
    35568
    RFB    		 2 C54 H75 F8 N7 Ru InChI=1S/C34H47F8N3.C10H1
    6N2.C10H12N2.Ru/c1-14-2-4
    -43-21(6-14)22-13-15(3-5-
    44-22)12-20-25(35)27(37)2
    3(28(38)26(20)36)24-29(39
    )31(41)34(32(42)30(24)40)
    45-33-18-8-16-7-17(10-18)
    11-19(33)9-16;2*1-3-7-11-
    9(5-1)10-6-2-4-8-12-10;/h
    6,15-34,45H,2-5,7-13H2,1H
    3;1-8H2;1,4-5,8H,2-3,6-7H
    2;/q3*-2;+8/b;2*10-9-;/t1
    5-,16-,17+,18-,19+,20-,21
    ?,22?,23?,24-,25-,26+,27-
    ,28+,29?,30-,31?,32?,33-,
    34?;;;/m1.../s1;
    QXSHRHKMCRAIGC-DMCKNCFYSA-N    		 CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6
    =C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C
    (C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)C
    C1C3)F)F)F)F; FC4C(F)C(NC3C1CC2CC(C1)CC3
    C2)C(F)C(F)C4C5C(F)C(F)C(C(F)C5F)CC6CC8N
    (CC6)[Ru+2]%11%13(N7CCC(=CC78)C)(n9C=CCC
    c9c%10C=CCCn%10%11)n%14c(c%12n%13CCCC%12
    )CCCC%14; CC1=C[C@H]2[C@@H]3C[C@H](CCN3[
    Ru++]45(N2CC1)(N6CCCCC6=C7CCCCN47)N8CCC=
    CC8=C9CCC=CN59)C[C@@H]%10[C@@H](F)[C@H](
    F)[C@H]([C@H](F)[C@H]%10F)[C@@H]%11[C@H]
    (F)[C@@H](F)[C@@H](N[C@H]%12C%13CC%14CC(
    C%13)CC%12C%14)[C@@H](F)[C@@H]%11F; CC1=
    C[CH]2[CH]3C[CH](CCN3[Ru++]45(N2CC1)(N6C
    CCCC6=C7CCCCN47)N8CCC=CC8=C9CCC=CN59)C[C
    H]%10[CH](F)[CH](F)[CH]([CH](F)[CH]%10F)
    [CH]%11[CH](F)[CH](F)[CH](N[CH]%12C%13CC
    %14CC(C%13)CC%12C%14)[CH](F)[CH]%11F    		 LAMBDA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II)
    35569
    RFC
    ZINC000263620817    		 8 C34 H53 N7 O17 P3 S InChI=1S/C34H52N7O17P3S/c
    1-19(2)14-21-6-8-22(9-7-2
    1)20(3)33(46)62-13-12-36-
    24(42)10-11-37-31(45)28(4
    4)34(4,5)16-55-61(52,53)5
    8-60(50,51)54-15-23-27(57
    -59(47,48)49)26(43)32(56-
    23)41-18-40-25-29(35)38-1
    7-39-30(25)41/h6-9,17-20,
    23,26-28,32,43-44H,10-16H
    2,1-5H3,(H8,35,36,37,38,3
    9,42,45,47,48,49,50,51,52
    ,53)/p+1/t20-,23-,26-,27-
    ,28+,32-/m1/s1;
    NXIKDQUQQHUCJH-NGSKWOHTSA-O    		 CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)C
    CNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@
    ](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[
    n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O; CC(C
    )Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)CCNC(
    =O)[C@H](O)C(C)(C)CO[P@](O)(=O)O[P@](O)(
    =O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O[P](O)
    (O)=O)[n+]3c[nH]c4c(N)ncnc34; CC(C)Cc1cc
    c(cc1)[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](
    O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O
    [CH]([CH](O)[CH]2O[P](O)(O)=O)[n+]3c[nH]
    c4c(N)ncnc34; O=C(SCCNC(=O)CCNC(=O)C(O)C
    (C)(C)COP(=O)(O)OP(=O)(O)OCC3OC([n+]2cnc
    1c2ncnc1N)C(O)C3OP(=O)(O)O)C(c4ccc(cc4)C
    C(C)C)C; CC(C)Cc1ccc(cc1)C(C)C(=O)SCCNC(
    =O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)O
    CC2C(C(C(O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O
    )(O)O)O    		 (R)-IBUPROFENOYL-COENZYME A;
    [5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(R)-2-[4-(2-METHYLPROPYL)PHENYL] PROPANOYL)-SULFANYLETHYLCARBAMOYL ETHYLCARBAMOYL]-3-HYDROXY-2,2-DIMETHYL-PROPOXY]-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-4-HYDROXY-OXOLAN-3- YL]OXYPHOSPHONIC ACID
    35570
    RFE
    CHEMBL4786103    		 3 C14 H23 N6 O5 P S InChI=1S/C14H23N6O5PS/c1-
    9(5-20-7-18-11-12(15)16-6
    -17-13(11)20)25-8-26(23,2
    4)19-10(14(21)22)3-4-27-2
    /h6-7,9-10H,3-5,8H2,1-2H3
    ,(H,21,22)(H2,15,16,17)(H
    2,19,23,24)/t9-,10+/m1/s1;
    PEQPYHOXTFLJCT-ZJUUUORDSA-N    		 CSCC[CH](N[P](O)(=O)CO[CH](C)Cn1cnc2c(N)
    ncnc12)C(O)=O; C[C@H](Cn1cnc2c1ncnc2N)OC
    P(=O)(N[C@@H](CCSC)C(=O)O)O; CSCC[C@H](N
    [P](O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12)C(
    O)=O; CC(Cn1cnc2c1ncnc2N)OCP(=O)(NC(CCSC
    )C(=O)O)O    		 L-Methionine Tenofovir;
    (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid
    35571
    RFF    		 2 C22 H21 Cl N6 O3 S InChI=1S/C22H21ClN6O3S/c1
    -28-20-15(8-26-28)7-25-9-
    19(20)27-21(30)18-11-29(1
    0-14-2-3-16(23)6-17(14)18
    )33(31,32)13-22(12-24)4-5
    -22/h2-3,6-9,18H,4-5,10-1
    1,13H2,1H3,(H,27,30)/t18-
    /m1/s1;
    ZFCGSGJZJHDJGS-GOSISDBHSA-N    		 Cn1ncc2cncc(NC(=O)[C@@H]3CN(Cc4ccc(Cl)cc
    34)[S](=O)(=O)CC5(CC5)C#N)c12; Cn1c2c(cn
    cc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC
    5(CC5)C#N)cn1; Cn1c2c(cncc2NC(=O)[C@@H]3
    CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c
    n1; Cn1ncc2cncc(NC(=O)[CH]3CN(Cc4ccc(Cl)
    cc34)[S](=O)(=O)CC5(CC5)C#N)c12; Cn1ncc2
    cncc(NC(=O)C3CN(Cc4ccc(Cl)cc43)S(=O)(=O)
    CC3(C#N)CC3)c12    		 (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35572
    RFG
    CHEMBL4632672    		 4 C19 H19 N9 O2 InChI=1S/C19H19N9O2/c1-12
    (2)27-11-22-25-17(27)14-5
    -4-6-15(23-14)24-18(29)13
    -10-28(26-19(13)30-3)16-9
    -20-7-8-21-16/h4-12H,1-3H
    3,(H,23,24,29);
    FTPVMITWJIXRGQ-UHFFFAOYSA-N    		 CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c
    4cnccn4; C(Nc2nc(c1nncn1C(C)C)ccc2)(c3cn
    (nc3OC)c4cnccn4)=O; COc1nn(cc1C(=O)Nc2cc
    cc(n2)c3nncn3C(C)C)c4cnccn4    		 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide
    35573
    RFH    		 1 C43 H58 N4 O13 InChI=1S/C43H58N4O13/c1-2
    1(12-11-13-22(2)42(44)56)
    33(49)24(4)34(50)25(5)39(
    59-27(7)48)23(3)29(57-10)
    14-19-58-43(8)41(55)32-30
    -31(35(51)26(6)40(32)60-4
    3)38(54)37(53)28(36(30)52
    )20-45-47-17-15-46(9)16-1
    8-47/h11-14,19-21,23-25,2
    9,33-34,39,49-51,53H,15-1
    8H2,1-10H3,(H2,44,56)/b12
    -11+,19-14+,22-13+,45-20+
    /t21-,23+,24+,25+,29-,33-
    ,34+,39+,43-/m0/s1;
    ABIUUBSHMGGSQA-ONSLPDPNSA-N    		 Cc1c(c2c(c3c1OC(C3=O)(C)OC=CC(C(C)C(C(C)
    C(C(C)C(C(C)C=CC=C(C)C(=O)N)O)O)OC(=O)C)
    OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C)O; CO
    [CH](C=CO[C]1(C)Oc2c(C)c(O)c3C(=O)C(=C(C
    =NN4CCN(C)CC4)C(=O)c3c2C1=O)O)[CH](C)[CH
    ](OC(C)=O)[CH](C)[CH](O)[CH](C)[CH](O)[C
    H](C)C=CC=C(C)C(N)=O; O=C(N)C(=[C@H][C@H
    ]=[C@H]C(C)C(O)C(C)C(C(C)C(C(C)C(\C=C\OC
    1(C(c2c(O1)c(c(c3c2C(=O)C(=C(O)C3=O)[C@H
    ]=NN4CCN(CC4)C)O)C)=O)C)OC)OC(=O)C)O)C;
    Cc1c(c2c(c3c1O[C@](C3=O)(C)O/C=C/[C@@H](
    [C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C
    @H]([C@@H](C)/C=C/C=C(\C)/C(=O)N)O)O)OC(
    =O)C)OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C)
    O; CO[C@@H](\C=C\O[C@@]1(C)Oc2c(C)c(O)c3
    C(=O)C(=C(/C=N/N4CCN(C)CC4)C(=O)c3c2C1=O
    )O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H]
    (O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(C)
    /C(N)=O    		 (1E,3S,4R,5S,6R,7R,8R,9S,10S,11E,13E)-15-amino-1-{[(2S)-5,7-dihydroxy-2,4-dimethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate
    35574
    RFI    		 1 C17 H16 F N5 O2 InChI=1S/C17H16FN5O2/c18-
    10-1-2-12-13(7-10)21-15-1
    4(12)16(20-9-19-15)22-4-3
    -11(8-22)23-5-6-25-17(23)
    24/h1-2,7,9,11H,3-6,8H2,(
    H,19,20,21)/t11-/m0/s1;
    JXLRADUCHRSAKP-NSHDSACASA-N    		 Fc1ccc2c([nH]c3ncnc(N4CC[C@@H](C4)N5CCOC
    5=O)c23)c1; Fc1ccc2c3c([NH]c2c1)ncnc3N1C
    CC(C1)N1CCOC1=O; c1cc2c(cc1F)[nH]c3c2c(n
    cn3)N4CCC(C4)N5CCOC5=O; c1cc2c(cc1F)[nH]
    c3c2c(ncn3)N4CC[C@@H](C4)N5CCOC5=O; Fc1c
    cc2c([nH]c3ncnc(N4CC[CH](C4)N5CCOC5=O)c2
    3)c1    		 3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
    35575
    RFJ    		 0 C11 H16 N5 O7 P S InChI=1S/C11H16N5O7PS/c1-
    21-7-6(17)4(2-22-24(19,20
    )25)23-10(7)16-3-13-5-8(1
    6)14-11(12)15-9(5)18/h3-4
    ,6-7,10,17H,2H2,1H3,(H2,1
    9,20,25)(H3,12,14,15,18)/
    t4-,6-,7-,10-/m1/s1;
    QUDYZWLGVZGRFN-KQYNXXCUSA-N    		 COC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=S)(O
    )O)O; CO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O
    [CH]1n2cnc3C(=O)NC(=Nc23)N; COC3C(n2c1N=
    C(N)NC(c1nc2)=O)OC(C3O)COP(O)(O)=S; CO[C
    @@H]1[C@H](O)[C@@H](CO[P](O)(O)=S)O[C@H]
    1n2cnc3C(=O)NC(=Nc23)N; CO[C@@H]1[C@@H](
    [C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=S)
    (O)O)O    		 2'-O-methyl-5'-O-thiophosphonoguanosine
    35576
    RFL
    DB03482
    ZINC000098209358    		 1 C28 H36 N10 O15 P2 InChI=1S/C28H36N10O15P2/c
    1-11-4-12-14(5-13(11)36(2
    )3)37(25-19(33-12)26(44)3
    5-28(45)34-25)6-15(39)20(
    41)16(40)7-50-54(46,47)53
    -55(48,49)51-8-17-21(42)2
    2(43)27(52-17)38-10-32-18
    -23(29)30-9-31-24(18)38/h
    4-5,9-10,15-17,20-22,27,3
    9-43H,6-8H2,1-3H3,(H,46,4
    7)(H,48,49)(H2,29,30,31)(
    H,35,44,45)/t15-,16+,17+,
    20-,21+,22+,27+/m0/s1;
    UXOZEHHQWXVTPI-MZWSMYJRSA-N    		 Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)
    C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@
    ](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n
    5cnc6c5ncnc6N)O)O)O)O)O; CN(C)c1cc2N(C[C
    H](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=
    O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)n
    cnc45)C6=NC(=O)NC(=O)C6=Nc2cc1C; Cc1cc2c
    (cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(
    COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5
    ncnc6N)O)O)O)O)O; CN(C)c1cc2N(C[C@H](O)[
    C@H](O)[C@H](O)CO[P@@](O)(=O)O[P@](O)(=O
    )OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c
    (N)ncnc45)C6=NC(=O)NC(=O)C6=Nc2cc1C; O=C
    2C3=Nc1cc(c(N(C)C)cc1N(C3=NC(=O)N2)CC(O)
    C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4
    c(ncnc45)N)C(O)C6O)C    		 8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-ADENINE-DINUCLEOTIDE
    35577
    RFM
    CHEMBL2442060    		 2 C26 H21 N5 O2 S InChI=1S/C26H21N5O2S/c32-
    25(17-31-24-9-5-4-8-23(24
    )28-29-31)30(16-19-14-15-
    34-18-19)22-12-10-21(11-1
    3-22)27-26(33)20-6-2-1-3-
    7-20/h1-15,18H,16-17H2,(H
    ,27,33);
    WHSQOXMSNUWORU-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(=
    O)Cn4c5ccccc5nn4; O=C(Cn1nnc2ccccc12)N(C
    c3cscc3)c4ccc(NC(=O)c5ccccc5)cc4; O=C(N(
    Cc1cscc1)c3ccc(NC(=O)c2ccccc2)cc3)Cn5c4c
    (cccc4)nn5    		 N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide
    35578
    RFN
    CHEMBL2023131
    ZINC000084618991    		 1 C17 H20 N2 O5 S InChI=1S/C17H20N2O5S/c1-1
    7(16(21)18-22,25(2,23)24)
    9-11-19-10-8-14(12-15(19)
    20)13-6-4-3-5-7-13/h3-8,1
    0,12,22H,9,11H2,1-2H3,(H,
    18,21)/t17-/m1/s1;
    NFQOWMXNJNMRTA-QGZVFWFLSA-N    		 O=S(=O)(C(C(=O)NO)(CCN1C=CC(=CC1=O)c2ccc
    cc2)C)C; C[C@@](CCN1C=CC(=CC1=O)c2ccccc2
    )(C(=O)NO)S(=O)(=O)C; C[C](CCN1C=CC(=CC1
    =O)c2ccccc2)(C(=O)NO)[S](C)(=O)=O; CC(CC
    N1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O
    )C; C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=
    O)NO)[S](C)(=O)=O    		 (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide
    35579
    RFO    		 1 C11 H10 Cl N O2 InChI=1S/C11H10ClNO2/c1-1
    5-7-11(14)13-6-5-8-9(12)3
    -2-4-10(8)13/h2-6H,7H2,1H
    3;
    SLZGAMVJAWAHJX-UHFFFAOYSA-N    		 COCC(=O)n1ccc2c(Cl)cccc12; COCC(=O)n1ccc
    2c1cccc2Cl    		 1-(4-chloranylindol-1-yl)-2-methoxy-ethanone
    35580
    RFP
    CHEMBL374478
    DB01045
    ZINC000169621223    		 26 C43 H58 N4 O12 InChI=1S/C43H58N4O12/c1-2
    1-12-11-13-22(2)42(55)45-
    33-28(20-44-47-17-15-46(9
    )16-18-47)37(52)30-31(38(
    33)53)36(51)26(6)40-32(30
    )41(54)43(8,59-40)57-19-1
    4-29(56-10)23(3)39(58-27(
    7)48)25(5)35(50)24(4)34(2
    1)49/h11-14,19-21,23-25,2
    9,34-35,39,49-53H,15-18H2
    ,1-10H3,(H,45,55)/b12-11+
    ,19-14+,22-13-,44-20+/t21
    -,23+,24+,25+,29-,34-,35+
    ,39+,43-/m0/s1;
    JQXXHWHPUNPDRT-WLSIYKJHSA-N    		 Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([
    C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C
    @H](C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CC
    N(CC5)C)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O; O
    =C4c5c2c(O)c(\C=N\N1CCN(C)CC1)c3c(O)c2c(
    O)c(c5OC4(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C
    (C)C(O)C(C=CC=C(C(=O)N3)C)C)C)C)C; CO[CH
    ]1C=CO[C]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(
    =CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)
    [CH](OC(C)=O)[CH]1C)C)c(C=NN5CCN(C)CC5)c
    (O)c4c3C2=O; CO[C@H]1\C=C\O[C@@]2(C)Oc3c
    (C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[
    C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](
    OC(C)=O)[C@@H]1C)C)c(\C=N\N5CCN(C)CC5)c(
    O)c4c3C2=O; Cc1c(c2c3c4c1OC(C4=O)(OC=CC(
    C(C(C(C(C(C(C(C=CC=C(C(=O)Nc(c2O)c(c3O)C
    =NN5CCN(CC5)C)C)C)O)C)O)C)OC(=O)C)C)OC)C
    )O    		 RIFAMPICIN
    35581
    RFQ
    ZINC000103253473    		 3 C24 H21 N4 O2 S2 InChI=1S/C24H22N4O2S2/c25
    -23(21-9-3-11-31-21)27-17
    -6-1-5-16(13-17)20(29)15-
    30-19-8-2-7-18(14-19)28-2
    4(26)22-10-4-12-32-22/h1-
    14,20,29H,15H2,(H2,25,27)
    (H2,26,28)/t20-/m1/s1;
    ZCTCFQXRJWOQIL-HXUWFJFHSA-N    		 O[C@H](COc1cccc([N]C(=N)c2sccc2)c1)c3ccc
    c(NC(=N)c4sccc4)c3; N(c3cc(OCC(O)c2cccc(
    NC(=[N@H])c1sccc1)c2)ccc3)C(=[N@H])c4scc
    c4; [H]/N=C(/c1cccs1)\Nc2cccc(c2)[C@@H](
    COc3cccc(c3)[N]/C(=N\[H])/c4cccs4)O; c1c
    c(cc(c1)NC(=N)c2cccs2)C(COc3cccc(c3)[N]C
    (=N)c4cccs4)O; O[CH](COc1cccc([N]C(=N)c2
    sccc2)c1)c3cccc(NC(=N)c4sccc4)c3    		 N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
    35582
    RFR    		 1 C23 H24 Cl N5 O4 S InChI=1S/C23H24ClN5O4S/c1
    -25-22(30)13-29-11-15-3-5
    -16(24)7-18(15)20(12-29)2
    3(31)27-21-10-26-9-14-4-6
    -17(8-19(14)21)28-34(2,32
    )33/h3-10,20,28H,11-13H2,
    1-2H3,(H,25,30)(H,27,31)/
    t20-/m1/s1;
    BDCZHNBCXCBWRA-HXUWFJFHSA-N    		 CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)C1CN(Cc
    2ccc(Cl)cc21)CC(=O)NC; CNC(=O)CN1Cc2ccc(
    cc2C(C1)C(=O)Nc3cncc4c3cc(cc4)NS(=O)(=O)
    C)Cl; CNC(=O)CN1C[CH](C(=O)Nc2cncc3ccc(N
    [S](C)(=O)=O)cc23)c4cc(Cl)ccc4C1; CNC(=O
    )CN1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3c
    c(cc4)NS(=O)(=O)C)Cl; CNC(=O)CN1C[C@@H](
    C(=O)Nc2cncc3ccc(N[S](C)(=O)=O)cc23)c4cc
    (Cl)ccc4C1    		 (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35583
    RFS
    CHEMBL4848081    		 2 C19 H20 Br N O3 InChI=1S/C19H20BrNO3/c20-
    15-3-1-13(2-4-15)17-7-8-2
    1-10-14(17)11-22-16-5-6-1
    8-19(9-16)24-12-23-18/h1-
    6,9,14,17,21H,7-8,10-12H2
    /t14-,17-/m0/s1;
    SESIBYYWBYIMLH-YOEHRIQHSA-N    		 c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)O
    CO4)Br; c4(ccc(C1CCNCC1COc2cc3c(cc2)OCO3
    )cc4)Br; Brc1ccc(cc1)[CH]2CCNC[CH]2COc3c
    cc4OCOc4c3; c1cc(ccc1C2CCNCC2COc3ccc4c(c
    3)OCO4)Br; Brc1ccc(cc1)[C@@H]2CCNC[C@H]2
    COc3ccc4OCOc4c3    		 Br-paroxetine;
    (3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-bromophenyl)piperidine
    35584
    RFT    		 0 C15 H24 N2 O3 S3 InChI=1S/C15H24N2O3S3/c1-
    4-5-10-22-14(21)23-15(2,3
    )13(20)16-8-9-17-11(18)6-
    7-12(17)19/h4-10H2,1-3H3,
    (H,16,20);
    RVSHKKVKYZTEOC-UHFFFAOYSA-N    		 CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O;
    C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)
    =O    		 butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
    35585
    RFU    		 1 C17 H16 F N5 O2 InChI=1S/C17H16FN5O2/c18-
    10-1-2-12-13(7-10)21-15-1
    4(12)16(20-9-19-15)22-4-3
    -11(8-22)23-5-6-25-17(23)
    24/h1-2,7,9,11H,3-6,8H2,(
    H,19,20,21)/t11-/m1/s1;
    JXLRADUCHRSAKP-LLVKDONJSA-N    		 c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC[C@H](C4)
    N5CCOC5=O; Fc1ccc2c([nH]c3ncnc(N4CC[C@H]
    (C4)N5CCOC5=O)c23)c1; Fc1ccc2c3c([NH]c2c
    1)ncnc3N1CCC(C1)N1CCOC1=O; c1cc2c(cc1F)[
    nH]c3c2c(ncn3)N4CCC(C4)N5CCOC5=O; Fc1ccc
    2c([nH]c3ncnc(N4CC[CH](C4)N5CCOC5=O)c23)
    c1    		 3-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
    35586
    RFV    		 2 C37 H49 N O12 InChI=1S/C37H49NO12/c1-16
    -11-10-12-17(2)36(46)38-2
    3-15-24(40)26-27(32(23)44
    )31(43)21(6)34-28(26)35(4
    5)37(8,50-34)48-14-13-25(
    47-9)18(3)33(49-22(7)39)2
    0(5)30(42)19(4)29(16)41/h
    10-16,18-20,25,29-30,33,3
    5,40-45H,1-9H3,(H,38,46)/
    b11-10+,14-13+,17-12-/t16
    -,18+,19+,20+,25-,29-,30+
    ,33+,35+,37-/m0/s1;
    OUOULRWGQDSKTQ-ZVFQNIRDSA-N    		 Cc1c(c2c3c(cc(c2O)NC(=O)C(=CC=CC(C(C(C(C
    (C(C(C(C=COC4(C(c3c1O4)O)C)OC)C)OC(=O)C)
    C)O)C)O)C)C)O)O; Cc1c(c2c3c(cc(c2O)NC(=O
    )C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H
    ]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4([C@@H
    ](c3c1O4)O)C)OC)C)OC(=O)C)C)O)C)O)C)C)O)
    O; CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4c(O)c(
    NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O
    )[CH](C)[CH](OC(C)=O)[CH]1C)C)cc(O)c4c3[
    CH]2O; CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O
    )c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O
    )[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=
    O)[C@@H]1C)C)cc(O)c4c3[C@H]2O; O=C(OC4C(
    C)C(OC)C=COC3(Oc2c(c(O)c1c(O)c(cc(O)c1c2
    C3O)NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C4C)C)C
    )C)C    		 rifamycin SV
    35587
    RFW    		 8 C8 H14 N O9 P InChI=1S/C8H16NO9P/c1-4(1
    1)9-5(2-10)7(13)8(14)6(12
    )3-18-19(15,16)17/h2,5-8,
    12-14H,3H2,1H3,(H,9,11)(H
    2,15,16,17)/p-2/t5-,6+,7+
    ,8+/m0/s1;
    QDSLHWJDSQGPEE-LXGUWJNJSA-L    		 CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[
    P]([O-])([O-])=O; [O-]P([O-])(=O)OCC(O)C
    (O)C(O)C(C=O)NC(=O)C; CC(=O)NC(C=O)C(C(C
    (COP(=O)([O-])[O-])O)O)O; CC(=O)N[C@@H](
    C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-
    ])O)O)O; CC(=O)N[C@@H](C=O)[C@@H](O)[C@H
    ](O)[C@H](O)CO[P]([O-])([O-])=O    		 N-acetyl-D-glucosamine-6-phosphate
    35588
    RFX
    CHEMBL153036
    DB08472
    ZINC000001530638    		 2 C17 H18 F3 N O InChI=1S/C17H18F3NO/c1-21
    -12-11-16(13-5-3-2-4-6-13
    )22-15-9-7-14(8-10-15)17(
    18,19)20/h2-10,16,21H,11-
    12H2,1H3/t16-/m1/s1;
    RTHCYVBBDHJXIQ-MRXNPFEDSA-N    		 CNCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2; C
    NCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2;
    CNCCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F; CNCC
    [C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F; FC(F
    )(F)c2ccc(OC(c1ccccc1)CCNC)cc2    		 (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;
    Fluoxetine
    35589
    RFY    		 2 C19 H20 I N O3 InChI=1S/C19H20INO3/c20-1
    5-3-1-13(2-4-15)17-7-8-21
    -10-14(17)11-22-16-5-6-18
    -19(9-16)24-12-23-18/h1-6
    ,9,14,17,21H,7-8,10-12H2/
    t14-,17-/m0/s1;
    QJFNUDYGOMCKMV-YOEHRIQHSA-N    		 c4(ccc(C1CCNCC1COc2cc3c(cc2)OCO3)cc4)I;
    Ic1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc
    4c3; c1cc(ccc1C2CCNCC2COc3ccc4c(c3)OCO4)
    I; Ic1ccc(cc1)[CH]2CCNC[CH]2COc3ccc4OCOc
    4c3; c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c
    (c3)OCO4)I    		 I-paroxetine;
    (3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-iodophenyl)piperidine
    35590
    RFZ
    CHEMBL375530
    DB08473
    ZINC000003873418    		 6 C12 H12 Cl2 N2 O4 InChI=1S/C12H12Cl2N2O4/c1
    3-5-1-7-8(2-6(5)14)16(4-1
    5-7)12-11(19)10(18)9(3-17
    )20-12/h1-2,4,9-12,17-19H
    ,3H2/t9-,10-,11-,12-/m1/s
    1;
    XHSQDZXAVJRBMX-DDHJBXDOSA-N    		 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3cc
    (Cl)c(Cl)cc23; c1c2c(cc(c1Cl)Cl)n(cn2)C3
    C(C(C(O3)CO)O)O; c1c2c(cc(c1Cl)Cl)n(cn2)
    [C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O; OC[
    CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(Cl)c(Cl
    )cc23; Clc2cc1ncn(c1cc2Cl)C3OC(C(O)C3O)C
    O    		 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole
    35591
    RG0    		 1 C11 H9 Cl F3 N O InChI=1S/C11H9ClF3NO/c1-6
    (17)16-5-4-7-9(16)3-2-8(1
    2)10(7)11(13,14)15/h2-3H,
    4-5H2,1H3;
    OCTQANMBVHBRLQ-UHFFFAOYSA-N    		 CC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F; CC(=O)N
    1CCc2c1ccc(c2C(F)(F)F)Cl    		 1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
    35592
    RG1
    ZINC000584905650    		 0 C46 H66 O6 InChI=1S/C46H66O6/c1-34(2
    )19-13-22-37(5)25-16-28-3
    8(6)26-14-23-35(3)20-11-1
    2-21-36(4)24-15-27-39(7)2
    9-17-30-40(8)31-18-32-46(
    9,10)52-45-44(50)43(49)42
    (48)41(33-47)51-45/h11-17
    ,19-30,41-45,47-50H,18,31
    -33H2,1-10H3/b12-11+,22-1
    3+,23-14+,24-15+,28-16+,2
    9-17+,35-20+,36-21+,37-25
    +,38-26+,39-27+,40-30+/t4
    1-,42-,43+,44-,45+/m1/s1;
    ISHBHDBCVQRMDY-GZIKAPSJSA-N    		 CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=
    C(C)C=CC=C(C)CCCC(C)(C)OC1C(C(C(C(O1)CO)
    O)O)O)C)C)C)C; CC(C)=CC=CC(C)=CC=CC(C)=C
    C=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC
    (C)(C)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1
    O; CC(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C
    )=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\CCC
    C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](
    O)[C@H]1O; CC(=C/C=C/C(=C/C=C/C(=C/C=C/C
    (=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/
    CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@
    H](O1)CO)O)O)O)/C)/C)/C)C; C1(OC(C(C(C1O
    )O)O)CO)OC(C)(C)CCCC(C)=[C@H][C@H]=[C@H]
    C(C)=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@
    H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[
    C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)C    		 Rhodopin b-D-glucoside;
    (3E)-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl beta-D-glucopyranoside
    35593
    RG2
    CHEMBL4591732
    ZINC000219657135    		 2 C17 H11 Cl F3 N3 O2 InChI=1S/C17H11ClF3N3O2/c
    18-11-4-1-9(2-5-11)8-22-1
    5-14(16(25)26)23-12-6-3-1
    0(17(19,20)21)7-13(12)24-
    15/h1-7H,8H2,(H,22,24)(H,
    25,26);
    JMDVDONAIBYSLS-UHFFFAOYSA-N    		 OC(=O)c1nc2ccc(cc2nc1NCc3ccc(Cl)cc3)C(F)
    (F)F; c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F
    )F)C(=O)O)Cl; FC(F)(F)c1cc2nc(c(nc2cc1)C
    (=O)O)NCc3ccc(Cl)cc3    		 3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
    35594
    RG3    		 2 C23 H21 Cl N4 O5 S InChI=1S/C23H21ClN4O5S/c1
    -25-21(29)12-28-11-19(18-
    8-14(24)3-5-17(18)23(28)3
    1)22(30)27-20-10-26-9-13-
    7-15(34(2,32)33)4-6-16(13
    )20/h3-10,19H,11-12H2,1-2
    H3,(H,25,29)(H,27,30)/t19
    -/m1/s1;
    WWUGNTBTHKNOGA-LJQANCHMSA-N    		 CNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cn
    cc4c3ccc(c4)S(=O)(=O)C; CNC(=O)CN1C[C@H]
    (c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4)
    S(=O)(=O)C; CNC(=O)CN1C[CH](C(=O)Nc2cncc
    3cc(ccc23)[S](C)(=O)=O)c4cc(Cl)ccc4C1=O;
    CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc(ccc23
    )[S](C)(=O)=O)c4cc(Cl)ccc4C1=O; CS(=O)(=
    O)c1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C(
    =O)c2ccc(Cl)cc21    		 (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35595
    RG4
    CHEMBL1287854
    ZINC000063539381    		 4 C17 H18 N6 InChI=1S/C17H18N6/c18-7-5
    -15(12-3-1-2-4-12)23-10-1
    3(9-22-23)16-14-6-8-19-17
    (14)21-11-20-16/h6,8-12,1
    5H,1-5H2,(H,19,20,21)/t15
    -/m0/s1;
    HFNKQEVNSGCOJV-HNNXBMFYSA-N    		 N#CC[CH](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc
    34; c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@@H](CC
    #N)C4CCCC4; N#CC[C@@H](C1CCCC1)n2cc(cn2)
    c3ncnc4[nH]ccc34; c1c[nH]c2c1c(ncn2)c3cn
    n(c3)C(CC#N)C4CCCC4; c4(c1ncnc2nccc12)cn
    n(C(CC#N)C3CCCC3)c4    		 (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
    35596
    RG5    		 1 C15 H13 F N8 O InChI=1S/C15H13FN8O/c16-8
    -1-2-9-10(5-8)19-14-12(9)
    15(18-7-17-14)24-3-4-25-1
    1(6-24)13-20-22-23-21-13/
    h1-2,5,7,11H,3-4,6H2,(H,1
    7,18,19)(H,20,21,22,23)/t
    11-/m1/s1;
    BPQSGQBVNCJOKS-LLVKDONJSA-N    		 Fc1ccc2c3c(ncnc3[NH]c2c1)N1CC(OCC1)c1nnn
    [NH]1; Fc1ccc2c([nH]c3ncnc(N4CCO[CH](C4)
    c5[nH]nnn5)c23)c1; c1cc2c(cc1F)[nH]c3c2c
    (ncn3)N4CCO[C@H](C4)c5[nH]nnn5; c1cc2c(c
    c1F)[nH]c3c2c(ncn3)N4CCOC(C4)c5[nH]nnn5;
    Fc1ccc2c([nH]c3ncnc(N4CCO[C@H](C4)c5[nH
    ]nnn5)c23)c1    		 7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole
    35597
    RG6    		 1 C8 H3 Cl F6 O S2 InChI=1S/C8H3ClF6OS2/c9-4
    -1-3(17-7(10,11)12)2-5(6(
    4)16)18-8(13,14)15/h1-2,1
    6H;
    VFNOHWLGFSZWDJ-UHFFFAOYSA-N    		 Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F; Oc1c(
    SC(F)(F)F)cc(cc1Cl)SC(F)(F)F; c1c(cc(c(c
    1SC(F)(F)F)O)Cl)SC(F)(F)F    		 2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol
    35598
    RG7
    CHEMBL4643996    		 2 C23 H26 Cl2 F4 N4 O5 S2 InChI=1S/C23H26Cl2F4N4O5S
    2/c1-11(23(27,28)29)32-40
    (37,38)14-5-4-13(15(24)16
    (14)25)18-17(21(35)33-8-6
    -12(26)7-9-33)31-20(39-18
    )19(34)30-10-22(2,3)36/h4
    -5,11-12,32,36H,6-10H2,1-
    3H3,(H,30,34)/t11-/m0/s1;
    VZRCTKJCGGBKBW-NSHDSACASA-N    		 c3(c1c(nc(C(=O)NCC(C)(C)O)s1)C(N2CCC(CC2
    )F)=O)c(Cl)c(c(cc3)S(NC(C)C(F)(F)F)(=O)=
    O)Cl; CC(C(F)(F)F)NS(=O)(=O)c1ccc(c(c1Cl
    )Cl)c2c(nc(s2)C(=O)NCC(C)(C)O)C(=O)N3CCC
    (CC3)F; C[C@@H](C(F)(F)F)NS(=O)(=O)c1ccc
    (c(c1Cl)Cl)c2c(nc(s2)C(=O)NCC(C)(C)O)C(=
    O)N3CCC(CC3)F; C[CH](N[S](=O)(=O)c1ccc(c
    (Cl)c1Cl)c2sc(nc2C(=O)N3CCC(F)CC3)C(=O)N
    CC(C)(C)O)C(F)(F)F; C[C@H](N[S](=O)(=O)c
    1ccc(c(Cl)c1Cl)c2sc(nc2C(=O)N3CCC(F)CC3)
    C(=O)NCC(C)(C)O)C(F)(F)F    		 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
    35599
    RG9    		 2 C20 H19 Cl N2 O2 InChI=1S/C20H19ClN2O2/c1-
    20(2,25)15-6-7-17-14(10-1
    5)11-22-12-18(17)23-19(24
    )9-13-4-3-5-16(21)8-13/h3
    -8,10-12,25H,9H2,1-2H3,(H
    ,23,24);
    OUTGZQNFEUVFAN-UHFFFAOYSA-N    		 CC(C)(c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C
    l)O; CC(C)(O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3
    )cncc2c1; Clc1cccc(c1)CC(=O)Nc1cncc2cc(c
    cc21)C(C)(C)O    		 2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide
    35600
    RGA
    DB04774
    ZINC000169621246    		 1 C54 H87 N O13 InChI=1S/C54H87NO13/c1-35
    -18-16-20-51(58)68-54(41(
    7)53(66-15)37(3)23-26-46(
    57)39(5)47(63-12)19-17-27
    -55(8)34-56)38(4)22-25-43
    (60-9)32-48(64-13)36(2)21
    -24-44(61-10)33-49(65-14)
    40(6)50-30-42(31-52(59)67
    -50)29-45(28-35)62-11/h16
    -18,20-22,24-25,27,31,34,
    36-41,43-45,47-50,53-54H,
    19,23,26,28-30,32-33H2,1-
    15H3/b20-16+,24-21+,25-22
    +,27-17+,35-18+/t36-,37-,
    38-,39-,40+,41-,43-,44+,4
    5+,47+,48-,49-,50+,53-,54
    -/m0/s1;
    LOYDTENNTZZQJM-DIUYYEMASA-N    		 O=CN(\C=C\CC(OC)C(C(=O)CCC(C)C(OC)C(C)C1
    OC(=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C(C(OC
    )CC(OC)C=CC(C)C(OC)CC(OC)C=CC1C)C)C2)C)C
    ; CO[C@@H]1CC(=C/C=C/C(=O)O[C@@H]([C@@H]
    (C)/C=C/[C@@H](C[C@H](OC)[C@@H](C)/C=C/[
    C@H](C[C@H](OC)[C@@H](C)[C@H]2CC(=CC(=O)
    O2)C1)OC)OC)[C@@H](C)[C@@H](OC)[C@@H](C)
    CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)/
    C; C[C@H]1/C=C/[C@H](C[C@@H]([C@H]([C@H]
    2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[
    C@@H]([C@H](/C=C/[C@@H](C[C@@H]1OC)OC)C)
    [C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[
    C@@H](C/C=C/N(C)C=O)OC)OC)/C)OC)C)OC)OC;
    CC1C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=CC=C
    C(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)CCC(
    =O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)C)OC)OC;
    CO[CH]1CC(=CC=CC(=O)O[CH]([CH](C)C=C[CH
    ](C[CH](OC)[CH](C)C=C[CH](C[CH](OC)[CH](
    C)[CH]2CC(=CC(=O)O2)C1)OC)OC)[CH](C)[CH]
    (OC)[CH](C)CCC(=O)[CH](C)[CH](CC=CN(C)C=
    O)OC)C    		 REIDISPONGIOLIDE A;
    N-((E)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXO-11-((5Z,7Z,13Z,19Z)-3,15,17,21,23-PENTAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIO XO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)DODEC-1-ENYL)-N-METHYLFORMAMIDE
    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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