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

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