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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
    35601 RGC
    DB04775
    ZINC000263620951    		 1 C52 H84 O14 InChI=1S/C52H84O14/c1-32-
    16-15-17-49(56)66-52(38(7
    )51(64-14)34(3)20-23-43(5
    3)36(5)44(61-11)24-25-48(
    54)55)35(4)19-22-40(58-8)
    30-45(62-12)33(2)18-21-41
    (59-9)31-46(63-13)37(6)47
    -28-39(29-50(57)65-47)27-
    42(26-32)60-10/h15-19,21-
    22,29,33-38,40-42,44-47,5
    1-52H,20,23-28,30-31H2,1-
    14H3,(H,54,55)/b17-15+,21
    -18+,22-19+,32-16+/t33-,3
    4-,35-,36-,37+,38-,40-,41
    +,42+,44+,45-,46-,47+,51-
    ,52-/m0/s1;
    QTLSHCJDXCYLJK-VRWAWWQJSA-N    		 CO[CH]1CC(=CC=CC(=O)O[CH]([CH](C)C=C[CH]
    (C[CH](OC)[CH](C)C=C[CH](C[CH](OC)[CH](C
    )[CH]2CC(=CC(=O)O2)C1)OC)OC)[CH](C)[CH](
    OC)[CH](C)CCC(=O)[CH](C)[CH](CCC(O)=O)OC
    )C; CC1C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=C
    C=CC(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)C
    CC(=O)C(C)C(CCC(=O)O)OC)OC)C)OC)C)OC)OC;
    O=C(O)CCC(OC)C(C(=O)CCC(C)C(OC)C(C)C1OC
    (=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C(C(OC)C
    C(OC)C=CC(C)C(OC)CC(OC)C=CC1C)C)C2)C; CO
    [C@@H]1CC(=C/C=C/C(=O)O[C@@H]([C@@H](C)/
    C=C/[C@@H](C[C@H](OC)[C@@H](C)/C=C/[C@H]
    (C[C@H](OC)[C@@H](C)[C@H]2CC(=CC(=O)O2)C
    1)OC)OC)[C@@H](C)[C@@H](OC)[C@@H](C)CCC(
    =O)[C@H](C)[C@@H](CCC(O)=O)OC)/C; C[C@H]
    1\C=C\[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=
    O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@
    H](\C=C\[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)
    [C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC
    (=O)O)OC)OC)/C)OC)C)OC)OC    		 REIDISPONGIOLIDE C;
    (4R,5R,9S,10S,11S)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXO-11-((3R,5Z,7Z,11S,12S,13Z,15R,17S,18S,19Z,21S,23S,24R,25R)-3,15,17 ,21,23-PENTAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIOXO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)D ODECANOIC ACID
    35602 RGD 1 C14 H23 N O4 InChI=1S/C14H23NO4/c16-5-
    4-14-9-15(13(18)10-2-1-3-
    10)7-11(14)6-12(8-17)19-1
    4/h10-12,16-17H,1-9H2/t11
    -,12-,14+/m0/s1;
    LOAFEZNLOIOHIT-SGMGOOAPSA-N    		 C2(OC1(CCO)CN(CC1C2)C(C3CCC3)=O)CO; C1CC
    (C1)C(=O)N2CC3CC(OC3(C2)CCO)CO; OCC[C]12
    CN(C[CH]1C[CH](CO)O2)C(=O)C3CCC3; OCC[C@
    @]12CN(C[C@@H]1C[C@@H](CO)O2)C(=O)C3CCC3
    ; C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(
    C2)CCO)CO    		 cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone
    35603 RGE 2 C8 H17 N3 O3 S InChI=1S/C8H17N3O3S/c1-15
    (14)5-7(10)11-4-2-3-6(9)8
    (12)13/h6H,2-5,9H2,1H3,(H
    2,10,11)(H,12,13)/t6-,15+
    /m0/s1;
    PZGMBMRDRVWIGU-WDDATRMLSA-N    		 [H]/N=C(\CS(=O)C)/NCCC[C@@H](C(=O)O)N; C
    [S@@](=O)CC(=N)NCCC[C@H](N)C(O)=O; O=S(C
    C(=[N@H])NCCCC(C(=O)O)N)C; CS(=O)CC(=N)N
    CCCC(C(=O)O)N; C[S](=O)CC(=N)NCCC[CH](N)
    C(O)=O    		 (2S)-2-AMINO-5-(2-(METHYLSULFINYL)ACETIMIDAMIDO)PENTANOIC ACID
    35604 RGF 1 C18 H17 F N4 O2 InChI=1S/C18H17FN4O2/c19-
    10-2-3-11-13(6-10)22-15-1
    4(11)16(21-9-20-15)23-7-1
    2(17(24)25)18(8-23)4-1-5-
    18/h2-3,6,9,12H,1,4-5,7-8
    H2,(H,24,25)(H,20,21,22)/
    t12-/m0/s1;
    RJMONMRVOQBIPJ-LBPRGKRZSA-N    		 OC(=O)[CH]1CN(CC12CCC2)c3ncnc4[nH]c5cc(F
    )ccc5c34; OC(=O)[C@@H]1CN(CC12CCC2)c3ncn
    c4[nH]c5cc(F)ccc5c34; c1cc2c(cc1F)[nH]c3
    c2c(ncn3)N4CC(C5(C4)CCC5)C(=O)O; O=C(O)C
    1CN(CC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c12;
    c1cc2c(cc1F)[nH]c3c2c(ncn3)N4C[C@H](C5(C
    4)CCC5)C(=O)O    		 (8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
    35605 RGG
    CHEMBL446492
    ZINC000004096297    		 2 C9 H18 O8 InChI=1S/C9H18O8/c10-1-4(
    12)3-16-9-8(15)7(14)6(13)
    5(2-11)17-9/h4-15H,1-3H2/
    t4-,5-,6+,7+,8-,9-/m1/s1;
    NHJUPBDCSOGIKX-NTXXKDEISA-N    		 OC[CH](O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[
    CH]1O; C([C@@H]1[C@@H]([C@@H]([C@H]([C@@
    H](O1)OC[C@@H](CO)O)O)O)O)O; O(CC(O)CO)C
    1OC(C(O)C(O)C1O)CO; C(C1C(C(C(C(O1)OCC(C
    O)O)O)O)O)O; OC[C@@H](O)CO[C@@H]1O[C@H](
    CO)[C@H](O)[C@H](O)[C@H]1O    		 (2R)-2,3-dihydroxypropyl beta-D-galactopyranoside;
    (2R)-glyceryl-beta-D-galactopyranoside;
    (2R)-2,3-dihydroxypropyl beta-D-galactoside;
    (2R)-2,3-dihydroxypropyl D-galactoside;
    (2R)-2,3-dihydroxypropyl galactoside
    35606 RGI 0 C2 H5 N O2 InChI=1S/C2H5NO2/c1-3-2(4
    )5/h3H,1H3,(H,4,5);
    UFEJKYYYVXYMMS-UHFFFAOYSA-N    		 CNC(O)=O; CNC(=O)O; O=C(O)NC METHYLCARBAMIC ACID
    35607 RGJ
    CHEMBL4783492
    ZINC000584905651    		 1 C19 H17 Cl F N3 O3 InChI=1S/C19H17ClFN3O3/c1
    -22-19(25)12-9-23-15-8-17
    (27-3)16(26-2)7-11(15)18(
    12)24-14-5-4-10(20)6-13(1
    4)21/h4-9H,1-3H3,(H,22,25
    )(H,23,24);
    MXBCVSLLTIRSIL-UHFFFAOYSA-N    		 CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC
    )OC; CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc3ccc
    (Cl)cc3F    		 4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE
    35608 RGK
    CHEMBL3827921
    ZINC000017060408    		 2 C14 H11 N3 O InChI=1S/C14H11N3O/c15-10
    -7-5-9(6-8-10)13-16-12-4-
    2-1-3-11(12)14(18)17-13/h
    1-8H,15H2,(H,16,17,18);
    PHQBXCTZDRMXMX-UHFFFAOYSA-N    		 Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2; O=C2c3cc
    ccc3N=C(c1ccc(N)cc1)N2; c1ccc2c(c1)C(=O)
    NC(=N2)c3ccc(cc3)N    		 2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one
    35609 RGL 0 C6 H15 N4 O InChI=1S/C6H14N4O/c7-5(4-
    11)2-1-3-10-6(8)9/h4-5H,1
    -3,7H2,(H4,8,9,10)/p+1/t5
    -/m0/s1;
    QJYRUYURLPTHLR-YFKPBYRVSA-O    		 N[CH](CCCNC(N)=[NH2+])C=O; O=CC(N)CCCN\C
    (=[NH2+])N; C(CC(C=O)N)CNC(=[NH2+])N; C(
    C[C@@H](C=O)N)CNC(=[NH2+])N; N[C@@H](CCC
    NC(N)=[NH2+])C=O    		 ARGINAL
    35610 RGM 1 C14 H17 N3 O2 InChI=1S/C14H17N3O2/c1-8(
    18)17-6-9-3-12-10-4-15-5-
    11(10)13(19)14(9,7-17)16(
    12)2/h4-5,9,12,15H,3,6-7H
    2,1-2H3/t9-,12-,14+/m0/s1;
    CPZLROCUKBXZER-DUFXMDAXSA-N    		 CC(=O)N1CC2CC3c4c[nH]cc4C(=O)C2(C1)N3C;
    CN1[CH]2C[CH]3CN(C[C]13C(=O)c4c[nH]cc24)
    C(C)=O; CN1[C@H]2C[C@H]3CN(C[C@@]13C(=O)
    c4c[nH]cc24)C(C)=O; CC(=O)N1C[C@@H]2C[C@
    H]3c4c[nH]cc4C(=O)[C@]2(C1)N3C; C1(=O)C4
    3C(CC(c2cncc12)N3C)CN(C(C)=O)C4    		 (3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one
    35611 RGN
    CHEMBL4531025
    ZINC000095774681    		 1 C5 H8 F2 O2 InChI=1S/C5H8F2O2/c6-5(7)
    1-3(8)4(9)2-5/h3-4,8-9H,1
    -2H2/t3-,4-/m1/s1;
    RQJNPJXCMOLSSC-QWWZWVQMSA-N    		 O[C@@H]1CC(F)(F)C[C@H]1O; C1C(C(CC1(F)F)
    O)O; C1[C@H]([C@@H](CC1(F)F)O)O; O[CH]1C
    C(F)(F)C[CH]1O    		 (1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol
    35612 RGO 1 C11 H9 F2 N O InChI=1S/C11H9F2NO/c12-11
    (13)6-8-5-7-3-1-2-4-9(7)1
    4(8)10(11)15/h1-4,8H,5-6H
    2/t8-/m0/s1;
    FBNLACZWDFCRLD-QMMMGPOBSA-N    		 c1ccc2c(c1)C[C@@H]3N2C(=O)C(C3)(F)F; FC1
    (F)C[CH]2Cc3ccccc3N2C1=O; c1ccc2c(c1)CC3
    N2C(=O)C(C3)(F)F; FC1(F)C[C@@H]2Cc3ccccc
    3N2C1=O    		 (3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one
    35613 RGP
    ZINC000003870044    		 13 C5 H10 N O7 P InChI=1S/C5H10NO7P/c6-3(5
    (8)9)1-2-4(7)13-14(10,11)
    12/h3H,1-2,6H2,(H,8,9)(H2
    ,10,11,12)/t3-/m1/s1;
    PJRXVIJAERNUIP-GSVOUGTGSA-N    		 N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O; O=C(OP
    (=O)(O)O)CCC(C(=O)O)N; C(CC(=O)OP(=O)(O)
    O)C(C(=O)O)N; N[C@H](CCC(=O)O[P](O)(O)=O
    )C(O)=O; C(CC(=O)OP(=O)(O)O)[C@H](C(=O)O
    )N    		 GAMMA-GLUTAMYL PHOSPHATE;
    5-OXO-5-(PHOSPHONOOXY)-D-NORVALINE
    35614 RGQ 2 C22 H20 Cl F N4 O2 InChI=1S/C22H20ClFN4O2/c1
    -25-21(29)12-28-10-13-2-3
    -15(23)7-18(13)19(11-28)2
    2(30)27-20-9-26-8-14-6-16
    (24)4-5-17(14)20/h2-9,19H
    ,10-12H2,1H3,(H,25,29)(H,
    27,30)/t19-/m1/s1;
    HSFVRLOBMRHDCQ-LJQANCHMSA-N    		 CNC(=O)CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3
    ccc(c4)F)Cl; CNC(=O)CN1C[CH](C(=O)Nc2cnc
    c3cc(F)ccc23)c4cc(Cl)ccc4C1; CNC(=O)CN1C
    c2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3ccc(c4
    )F)Cl; CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc
    (F)ccc23)c4cc(Cl)ccc4C1; Fc1ccc2c(c1)cnc
    c2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC    		 (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35615 RGS
    ZINC000024986459    		 1 C20 H32 N6 O12 S2 InChI=1S/C20H32N6O12S2/c2
    1-9(19(35)36)1-3-23-17(33
    )11(25-13(27)5-15(29)30)7
    -39-40-8-12(26-14(28)6-16
    (31)32)18(34)24-4-2-10(22
    )20(37)38/h9-12H,1-8,21-2
    2H2,(H,23,33)(H,24,34)(H,
    25,27)(H,26,28)(H,29,30)(
    H,31,32)(H,35,36)(H,37,38
    )/t9-,10-,11+,12+/m0/s1;
    MRZMTLNHPCSZCE-NNYUYHANSA-N    		 C(CNC(=O)C(CSSCC(C(=O)NCCC(C(=O)O)N)NC(=
    O)CC(=O)O)NC(=O)CC(=O)O)C(C(=O)O)N; C(CN
    C(=O)[C@@H](CSSC[C@H](C(=O)NCC[C@@H](C(=
    O)O)N)NC(=O)CC(=O)O)NC(=O)CC(=O)O)[C@@H]
    (C(=O)O)N; N[CH](CCNC(=O)[CH](CSSC[CH](N
    C(=O)CC(O)=O)C(=O)NCC[CH](N)C(O)=O)NC(=O
    )CC(O)=O)C(O)=O; N[C@@H](CCNC(=O)[C@@H](
    CSSC[C@@H](NC(=O)CC(O)=O)C(=O)NCC[C@H](N
    )C(O)=O)NC(=O)CC(O)=O)C(O)=O; O=C(NC(C(=
    O)NCCC(C(=O)O)N)CSSCC(C(=O)NCCC(C(=O)O)N
    )NC(=O)CC(=O)O)CC(=O)O    		 4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDE
    35616 RGT
    ZINC000098209365    		 1 C15 H25 N5 O21 P4 InChI=1S/C15H25N5O21P4/c1
    6-15-18-11-6(12(19-15)39-
    14-10(24)8(22)5(38-14)1-3
    5-42(25,26)27)17-3-20(11)
    13-9(23)7(21)4(37-13)2-36
    -44(31,32)41-45(33,34)40-
    43(28,29)30/h3-5,7-10,13-
    14,21-24H,1-2H2,(H,31,32)
    (H,33,34)(H2,16,18,19)(H2
    ,25,26,27)(H2,28,29,30)/t
    4-,5-,7-,8-,9-,10-,13-,14
    +/m1/s1;
    CZRRKFZDNKXXKR-MHJQXXNXSA-N    		 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO
    [P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)n
    c(nc2O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=
    O)(O)O)O)O)N; O=P(O)(O)OP(=O)(O)OP(=O)(O
    )OCC4OC(n2cnc1c(nc(nc12)N)OC3OC(C(O)C3O)
    COP(=O)(O)O)C(O)C4O; Nc1nc(O[CH]2O[CH](C
    O[P](O)(O)=O)[CH](O)[CH]2O)c3ncn([CH]4O[
    CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)
    [CH](O)[CH]4O)c3n1; c1nc2c(n1C3C(C(C(O3)
    COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)nc(nc2
    OC4C(C(C(O4)COP(=O)(O)O)O)O)N; Nc1nc(O[C
    @@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]
    2O)c3ncn([C@@H]4O[C@H](CO[P@](O)(=O)O[P@
    @](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]4O)c
    3n1    		 2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside;
    (Ribose-5'-phosphate)-(guanosine-5'-triphosphate)
    35617 RGU 1 C11 H11 N O InChI=1S/C11H11NO/c13-11-
    6-5-9-7-8-3-1-2-4-10(8)12
    (9)11/h1-4,9H,5-7H2/t9-/m
    1/s1;
    QPPMCKRHXDXQPA-SECBINFHSA-N    		 c1ccc2c(c1)CC3N2C(=O)CC3; O=C1CC[CH]2Cc3
    ccccc3N12; O=C1CC[C@@H]2Cc3ccccc3N12; c1
    ccc2c(c1)C[C@@H]3N2C(=O)CC3    		 (3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one
    35618 RGV 1 C13 H15 N3 O2 InChI=1S/C13H15N3O2/c1-15
    -11-2-8-5-16(7-17)6-13(8,
    15)12(18)10-4-14-3-9(10)1
    1/h3-4,7-8,11,14H,2,5-6H2
    ,1H3/t8-,11-,13+/m0/s1;
    HQZKECRFEYSMAO-LJUAHTATSA-N    		 C1(=O)c4cncc4C3CC2C1(CN(C=O)C2)N3C; CN1C
    2CC3C1(CN(C3)C=O)C(=O)c4c2c[nH]c4; CN1[C
    @H]2C[C@@H]3[C@]1(CN(C3)C=O)C(=O)c4c2c[n
    H]c4; CN1[CH]2C[CH]3CN(C[C]13C(=O)c4c[nH
    ]cc24)C=O; CN1[C@H]2C[C@H]3CN(C[C@@]13C(
    =O)c4c[nH]cc24)C=O    		 (3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde
    35619 RGW 1 C30 H36 Cl N5 O S InChI=1S/C30H36ClN5OS/c1-
    16-17(2)38-29-26(16)27(22
    -4-6-23(31)7-5-22)33-24(2
    8-35-34-18(3)36(28)29)11-
    25(37)32-15-30-12-19-8-20
    (13-30)10-21(9-19)14-30/h
    4-7,19-21,24,27,33H,8-15H
    2,1-3H3,(H,32,37)/t19-,20
    +,21-,24-,27+,30-/m0/s1;
    BCOLLUBWOHQGAB-OGTRMZBGSA-N    		 Cc1c(sc-2c1[C@H](N[C@H](c3n2c(nn3)C)CC(=
    O)NCC45CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C;
    Cc1c(sc-2c1C(NC(c3n2c(nn3)C)CC(=O)NCC45
    CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C; Cc1sc2
    n3c(C)nnc3[CH](CC(=O)NCC45CC6CC(CC(C6)C4
    )C5)N[CH](c7ccc(Cl)cc7)c2c1C; Cc1sc2n3c(
    C)nnc3[C@H](CC(=O)NCC45CC6CC(CC(C6)C4)C5
    )N[C@H](c7ccc(Cl)cc7)c2c1C    		 ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
    35620 RGX 2 C22 H21 Cl N4 O3 S InChI=1S/C22H21ClN4O3S/c2
    3-16-6-5-15-12-27(31(29,3
    0)26-17-7-8-17)13-20(19(1
    5)9-16)22(28)25-21-11-24-
    10-14-3-1-2-4-18(14)21/h1
    -6,9-11,17,20,26H,7-8,12-
    13H2,(H,25,28)/t20-/m1/s1;
    XGZIABVELMXRKW-HXUWFJFHSA-N    		 Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2
    c1)[S](=O)(=O)NC5CC5; O=S(=O)(NC1CC1)N1C
    c2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21; c
    1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(c
    c4)Cl)S(=O)(=O)NC5CC5; Clc1ccc2CN(C[C@@H
    ](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)N
    C5CC5; c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3c
    c(cc4)Cl)S(=O)(=O)NC5CC5    		 (4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35621 RGY 2 C12 H17 N3 O2 InChI=1S/C12H17N3O2/c1-6-
    9-10(17-14-6)8-3-7-4-13-5
    -12(7,11(9)16)15(8)2/h7-8
    ,11,13,16H,3-5H2,1-2H3/t7
    -,8-,11+,12+/m0/s1;
    ORUIQGBPSJFGIC-LDDIKCJXSA-N    		 Cc1c2c(on1)[C@@H]3C[C@H]4CNC[C@@]4([C@@H
    ]2O)N3C; Cc1c2c(on1)C3CC4CNCC4(C2O)N3C;
    CN1[C@H]2C[C@H]3CNC[C@@]13[C@H](O)c4c(C)
    noc24; CN1[CH]2C[CH]3CNC[C]13[CH](O)c4c(
    C)noc24; N1(C3c4onc(C)c4C(C12C(CNC2)C3)O
    )C    		 (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
    35622 RGZ
    CHEMBL333304
    ZINC000000968330    		 3 C18 H19 N3 O3 S InChI=1S/C18H19N3O3S/c1-2
    1(16-4-2-3-9-19-16)10-11-
    24-14-7-5-13(6-8-14)12-15
    -17(22)20-18(23)25-15/h2-
    9,15H,10-12H2,1H3,(H,20,2
    2,23)/t15-/m1/s1;
    YASAKCUCGLMORW-OAHLLOKOSA-N    		 CN(CCOc1ccc(C[CH]2SC(=O)NC2=O)cc1)c3cccc
    n3; O=C1NC(=O)SC1Cc3ccc(OCCN(c2ncccc2)C)
    cc3; CN(CCOc1ccc(cc1)C[C@@H]2C(=O)NC(=O)
    S2)c3ccccn3; CN(CCOc1ccc(C[C@H]2SC(=O)NC
    2=O)cc1)c3ccccn3; CN(CCOc1ccc(cc1)CC2C(=
    O)NC(=O)S2)c3ccccn3    		 (R)-ROSIGLITAZONE
    35623 RH 10 Rh InChI=1S/Rh/q+1;
    OBDSITLACDGNMC-UHFFFAOYSA-N    		 [Rh+] Rhodium
    35624 RH0
    ZINC000098209366    		 0 C12 H17 N O3 S InChI=1S/C12H17NO3S/c13-1
    0(6-12(15)16)11(14)8-17-7
    -9-4-2-1-3-5-9/h1-5,10-11
    ,14H,6-8,13H2,(H,15,16)/t
    10-,11+/m0/s1;
    GEDFPMRZBOLEQA-WDEREUQCSA-N    		 c1ccc(cc1)CSCC(C(CC(=O)O)N)O; O=C(O)CC(N
    )C(O)CSCc1ccccc1; c1ccc(cc1)CSC[C@H]([C@
    H](CC(=O)O)N)O; N[CH](CC(O)=O)[CH](O)CSC
    c1ccccc1; N[C@@H](CC(O)=O)[C@H](O)CSCc1c
    cccc1    		 3-amino-5-S-benzyl-2,3-dideoxy-5-thio-D-erythro-pentonic acid
    35625 RH1
    CHEMBL1235676
    DB04090    		 8 C12 H14 N2 O3 InChI=1S/C12H14N2O3/c1-7-
    9(13-2-3-13)12(17)8(6-15)
    10(11(7)16)14-4-5-14/h15H
    ,2-6H2,1H3;
    JKDLOGLNPDVUCX-UHFFFAOYSA-N    		 CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3; CC1
    =C(N2CC2)C(=O)C(=C(N3CC3)C1=O)CO; O=C1C(
    =C(C(=O)C(=C1N2CC2)C)N3CC3)CO    		 2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE
    35626 RH2
    ZINC000263620638    		 2 C16 H22 N4 O S InChI=1S/C16H22N4OS/c17-8
    -2-1-5-14(16(18)21)20-11-
    13-6-7-15(22-13)12-4-3-9-
    19-10-12/h3-4,6-7,9-10,14
    ,20H,1-2,5,8,11,17H2,(H2,
    18,21)/t14-/m0/s1;
    KBSBPTGVGQZWKP-AWEZNQCLSA-N    		 c1cc(cnc1)c2ccc(s2)CNC(CCCCN)C(=O)N; NCC
    CC[C@H](NCc1sc(cc1)c2cccnc2)C(N)=O; c1cc
    (cnc1)c2ccc(s2)CN[C@@H](CCCCN)C(=O)N; NC
    CCC[CH](NCc1sc(cc1)c2cccnc2)C(N)=O; NC(C
    (NCc1sc(cc1)c2cccnc2)CCCCN)=O    		 N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide
    35627 RH3 11 Rh InChI=1S/Rh/q+3;
    PZSJYEAHAINDJI-UHFFFAOYSA-N    		 [Rh+3] RHODIUM(III) ION
    35628 RH4 1 C13 H13 N O3 InChI=1S/C13H13NO3/c1-16-
    13(15)12(9-11-3-2-8-17-11
    )10-4-6-14-7-5-10/h2-8,12
    H,9H2,1H3/t12-/m1/s1;
    DTRVWRJNHJVAQQ-GFCCVEGCSA-N    		 COC(=O)C(Cc1ccco1)c2ccncc2; COC(=O)[C@H]
    (Cc1ccco1)c2ccncc2; COC(=O)[CH](Cc1occc1
    )c2ccncc2; COC(=O)[C@H](Cc1occc1)c2ccncc
    2; c2(CC(c1ccncc1)C(OC)=O)ccco2    		 methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate
    35629 RH5 3 C21 H20 B N3 O3 InChI=1S/C21H20BN3O3/c23-
    21(24)17-8-7-16(11-20(17)
    27-13-14-4-3-9-25-12-14)1
    9-10-15-5-1-2-6-18(15)22(
    26)28-19/h1-9,11-12,19,26
    H,10,13H2,(H3,23,24)/t19-
    /m1/s1;
    YENXZRUMZHNJKP-LJQANCHMSA-N    		 NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4
    B(O)O3; NC(=N)c1ccc(cc1OCc2cccnc2)[C@H]3
    Cc4ccccc4B(O)O3; [H]/N=C(/c1ccc(cc1OCc2c
    ccnc2)[C@H]3Cc4ccccc4B(O3)O)\N; B1(c2ccc
    cc2CC(O1)c3ccc(c(c3)OCc4cccnc4)C(=N)N)O    		 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
    35630 RH6 5 C16 H19 N O2 InChI=1S/C16H19NO2/c1-4-7
    -13-10-12-8-9-14(17(5-2)6
    -3)11-15(12)19-16(13)18/h
    4,7-11H,5-6H2,1-3H3/b7-4+;
    YRIYSICZBXXPLJ-QPJJXVBHSA-N    		 CCN(CC)c1ccc2C=C(/C=C/C)C(=O)Oc2c1; CCN(
    CC)c1ccc2c(c1)OC(=O)C(=C2)/C=C/C; CCN(CC
    )c1ccc2C=C(C=CC)C(=O)Oc2c1; CCN(CC)c1ccc
    2C=C(\C=C\C)C(=O)Oc2c1; CCN(CC)c1ccc2c(c
    1)OC(=O)C(=C2)C=CC    		 (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form
    35631 RH7 1 C13 H15 N3 O3 InChI=1S/C13H15N3O3/c1-18
    -12(17)16-6-8-4-10-11-9(1
    4-2-3-15-11)5-13(8,7-16)1
    9-10/h2-3,8,10H,4-7H2,1H3
    /t8-,10-,13+/m0/s1;
    CTKPJJRUGQCIDS-GMOODISLSA-N    		 COC(=O)N1CC2CC3c4c(nccn4)CC2(C1)O3; COC(
    =O)N1C[C@@H]2C[C@H]3c4c(nccn4)C[C@]2(C1)
    O3; COC(=O)N1C[CH]2C[CH]3O[C]2(C1)Cc4ncc
    nc34; COC(=O)N1C[C@@H]2C[C@@H]3O[C@@]2(C
    1)Cc4nccnc34; c41nccnc1C3CC2CN(C(OC)=O)C
    C2(O3)C4    		 methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate
    35632 RH8 1 C21 H21 F N8 InChI=1S/C21H21FN8/c1-28-
    9-11-29(12-10-28)20-5-4-1
    5(13-17(20)22)26-21-23-8-
    6-18(27-21)16-14-25-30-19
    (16)3-2-7-24-30/h2-8,13-1
    4H,9-12H2,1H3,(H,23,26,27
    );
    YKOSORGDWOWAJE-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc4
    5)cc2F; CN1CCN(CC1)c2ccc(cc2F)Nc3nccc(n3
    )c4cnn5c4cccn5    		 ~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
    35633 RH9 2 C78 H124 N4 O22 InChI=1S/C78H124N4O22/c1-
    51(33-35-61(87)53(3)63(95
    -13)31-25-37-81(9)49-83)6
    7(99-17)43-71-77(5,6)69(8
    9)45-73-79-59(47-101-73)6
    5(97-15)29-23-20-22-28-58
    (94-12)40-56(86)42-76(92)
    104-72(44-68(100-18)52(2)
    34-36-62(88)54(4)64(96-14
    )32-26-38-82(10)50-84)78(
    7,8)70(90)46-74-80-60(48-
    102-74)66(98-16)30-24-19-
    21-27-57(93-11)39-55(85)4
    1-75(91)103-71/h19-28,37-
    38,47-58,63-72,85-86,89-9
    0H,29-36,39-46H2,1-18H3/b
    23-20+,24-19+,27-21+,28-2
    2+,37-25+,38-26+/t51-,52-
    ,53-,54-,55-,56-,57-,58-,
    63+,64+,65-,66-,67-,68-,6
    9-,70-,71-,72-/m0/s1;
    MWDPPGCTEBRUNT-IKBNIWNCSA-N    		 CC(CCC(=O)C(C)C(CC=CN(C)C=O)OC)C(CC1C(C(
    Cc2nc(co2)C(CC=CC=CC(CC(CC(=O)OC(C(C(Cc3
    nc(co3)C(CC=CC=CC(CC(CC(=O)O1)O)OC)OC)O)
    (C)C)CC(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)
    OC)O)OC)OC)O)(C)C)OC; CO[C@@H]\1C[C@H](O
    )CC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CCC(=O
    )[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)C(C)(C)
    [C@@H](O)Cc2occ(n2)[C@H](C\C=C\C=C\[C@@H
    ](C[C@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@@H
    ](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)
    OC)C(C)(C)[C@@H](O)Cc3occ(n3)[C@H](C/C=C
    /C=C\1)OC)OC)OC; CO[CH]1C[CH](O)CC(=O)O[
    CH](C[CH](OC)[CH](C)CCC(=O)[CH](C)[CH](C
    C=CN(C)C=O)OC)C(C)(C)[CH](O)Cc2occ(n2)[C
    H](CC=CC=C[CH](C[CH](O)CC(=O)O[CH](C[CH]
    (OC)[CH](C)CCC(=O)[CH](C)[CH](CC=CN(C)C=
    O)OC)C(C)(C)[CH](O)Cc3occ(n3)[CH](CC=CC=
    C1)OC)OC)OC; C[C@@H](CCC(=O)[C@H](C)[C@@
    H](C\C=C\N(C)C=O)OC)[C@H](C[C@H]1C([C@H]
    (Cc2nc(co2)[C@H](C\C=C\C=C\[C@@H](C[C@@H
    ](CC(=O)O[C@H](C([C@H](Cc3nc(co3)[C@H](C
    \C=C\C=C\[C@@H](C[C@@H](CC(=O)O1)O)OC)OC
    )O)(C)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)
    [C@@H](C\C=C\N(C)C=O)OC)OC)O)OC)OC)O)(C)
    C)OC; O=C(C(C)C(OC)C\C=C\N(C=O)C)CCC(C)C
    (OC)CC3OC(=O)CC(O)CC(OC)C=CC=CCC(OC)c1nc
    (oc1)CC(O)C(C)(C)C(OC(=O)CC(O)CC(OC)C=CC
    =CCC(OC)c2nc(oc2)CC(O)C3(C)C)CC(OC)C(C)C
    CC(=O)C(C)C(OC)C\C=C\N(C=O)C    		 RHIZOPODIN
    35634 RHA
    ZINC000038377753    		 0 C6 H13 O8 P InChI=1S/C6H13O8P/c1-2-3(
    7)4(8)5(9)6(13-2)14-15(10
    ,11)12/h2-9H,1H3,(H2,10,1
    1,12)/t2-,3-,4+,5+,6-/m0/
    s1;
    PTVXQARCLQPGIR-YJRYQGEOSA-N    		 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=
    O)(O)O)O)O)O; C[CH]1O[CH](O[P](O)(O)=O)[
    CH](O)[CH](O)[CH]1O; O=P(OC1OC(C(O)C(O)C
    1O)C)(O)O; CC1C(C(C(C(O1)OP(=O)(O)O)O)O)
    O; C[C@@H]1O[C@@H](O[P](O)(O)=O)[C@H](O)
    [C@H](O)[C@H]1O    		 6-deoxy-1-O-phosphono-alpha-L-rhamnopyranose;
    6-DEOXY-MANNOSE-1'-PHOSPHATE;
    6-deoxy-1-O-phosphono-alpha-L-mannopyranose;
    6-deoxy-1-O-phosphono-alpha-L-rhamnose;
    6-deoxy-1-O-phosphono-L-rhamnose;
    6-deoxy-1-O-phosphono-rhamnose
    35635 RHB
    CHEMBL1185708
    ZINC000003860707    		 2 C28 H31 N2 O3 InChI=1S/C28H30N2O3/c1-5-
    29(6-2)19-13-15-23-25(17-
    19)33-26-18-20(30(7-3)8-4
    )14-16-24(26)27(23)21-11-
    9-10-12-22(21)28(31)32/h9
    -18H,5-8H2,1-4H3/p+1;
    CVAVMIODJQHEEH-UHFFFAOYSA-O    		 CCN(CC)c1ccc2c(OC3=CC(C=CC3=C2c4ccccc4C(
    O)=O)=[N+](CC)CC)c1; CCN(CC)c1ccc2c(c1)O
    C3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O
    ; O=C(O)c4ccccc4C=1c3c(OC=2C=1C=C/C(=[N+
    ](/CC)CC)C=2)cc(cc3)N(CC)CC    		 N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium
    35636 RHC
    DB02321
    ZINC000004096144    		 1 C9 H17 N O6 S InChI=1S/C9H17NO6S/c10-4(
    8(13)14)1-2-17-3-5-6(11)7
    (12)9(15)16-5/h4-7,9,11-1
    2,15H,1-3,10H2,(H,13,14)/
    t4-,5+,6+,7+,9+/m0/s1;
    IQFWYNFDWRYSRA-OEQWSMLSSA-N    		 N[CH](CCSC[CH]1O[CH](O)[CH](O)[CH]1O)C(O
    )=O; C(CSCC1C(C(C(O1)O)O)O)C(C(=O)O)N; C
    (CSC[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)[
    C@@H](C(=O)O)N; O=C(O)C(N)CCSCC1OC(O)C(O
    )C1O; N[C@@H](CCSC[C@H]1O[C@@H](O)[C@H](
    O)[C@@H]1O)C(O)=O    		 (2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid;
    5-(3-AMINO-4,4-DIHYROXY-BUTYLSULFANYLMETHYL)-TETRAHYDRO-FURAN-2,3,4-TRIOL
    35637 RHD 0 H18 N6 Rh InChI=1S/6H3N.Rh/h6*1H3;/
    q;;;;;;+3;
    JGYYKTIOJIEIKU-UHFFFAOYSA-N    		 [NH3][Rh+3]([NH3])([NH3])([NH3])([NH3])[
    NH3]; N.N.N.N.N.N.[Rh+3]    		 RHODIUM HEXAMINE ION
    35638 RHE 15 Cl6 Re InChI=1S/6ClH.Re/h6*1H;/q
    ;;;;;;+6/p-6;
    GSGIQJBJGSKCDZ-UHFFFAOYSA-H    		 Cl[Re](Cl)(Cl)(Cl)(Cl)Cl rhenium (IV) hexachloride;
    hexachlororhenate ion
    35639 RHF 0 Rh InChI=1S/Rh/q+2;
    YNWSXIWHOSSPCO-UHFFFAOYSA-N    		 [Rh++]; [Rh+2] RHODIUM(II) ION
    35640 RHG 3 C10 H15 F3 N2 O3 S InChI=1S/C10H15F3N2O3S/c1
    1-10(12,13)19(16,17)15-4-
    7-3-8-1-2-14-5-9(7,6-15)1
    8-8/h7-8,14H,1-6H2/t7-,8+
    ,9+/m0/s1;
    SDCYRSFOCAJCPQ-DJLDLDEBSA-N    		 FC(F)(F)[S](=O)(=O)N1C[CH]2C[CH]3CCNC[C]
    2(C1)O3; C1CNC[C@@]23CN(C[C@@H]2C[C@@H]1
    O3)S(=O)(=O)C(F)(F)F; FC(F)(F)[S](=O)(=O
    )N1C[C@@H]2C[C@H]3CCNC[C@]2(C1)O3; C2NCC
    13C(CN(C1)S(C(F)(F)F)(=O)=O)CC(C2)O3; C1
    CNCC23CN(CC2CC1O3)S(=O)(=O)C(F)(F)F    		 (3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine
    35641 RHH
    CHEMBL5077422    		 2 C19 H19 N7 O InChI=1S/C19H19N7O/c1-12-
    23-15-6-5-14(13-10-16(20)
    25-17(21)11-13)24-19(15)2
    6(12)8-9-27-18-4-2-3-7-22
    -18/h2-7,10-11H,8-9H2,1H3
    ,(H4,20,21,25);
    QXPJTIYARGTANC-UHFFFAOYSA-N    		 Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(nc(c4)N)
    N; Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(N)nc(
    N)c4    		 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
    35642 RHI 2 C23 H23 Cl N4 O4 S InChI=1S/C23H23ClN4O4S/c1
    -25-22(29)13-28-11-14-3-4
    -16(24)8-19(14)20(12-28)2
    3(30)27-21-10-26-9-15-7-1
    7(33(2,31)32)5-6-18(15)21
    /h3-10,20H,11-13H2,1-2H3,
    (H,25,29)(H,27,30)/t20-/m
    1/s1;
    MZECSNVKOADBBO-HXUWFJFHSA-N    		 CNC(=O)CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3
    ccc(c4)S(=O)(=O)C)Cl; CS(=O)(=O)c1ccc2c(
    c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)
    NC; CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc(cc
    c23)[S](C)(=O)=O)c4cc(Cl)ccc4C1; CNC(=O)
    CN1C[CH](C(=O)Nc2cncc3cc(ccc23)[S](C)(=O
    )=O)c4cc(Cl)ccc4C1; CNC(=O)CN1Cc2ccc(cc2
    [C@@H](C1)C(=O)Nc3cncc4c3ccc(c4)S(=O)(=O
    )C)Cl    		 (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35643 RHJ 1 C14 H21 N O4 InChI=1S/C14H21NO4/c16-11
    -5-10-4-9-6-15(13(18)8-2-
    1-3-8)7-14(9,19-10)12(11)
    17/h8-12,16-17H,1-7H2/t9-
    ,10-,11?,12?,14+/m0/s1;
    BYVLFJJVWOHEND-JCCXBDGPSA-N    		 C1CC(C1)C(=O)N2CC3CC4CC(C(C3(C2)O4)O)O;
    O[C@@H]1C[C@@H]2C[C@H]3CN(C[C@]3(O2)[C@@
    H]1O)C(=O)C4CCC4; O[CH]1C[CH]2C[CH]3CN(C
    [C]3(O2)[CH]1O)C(=O)C4CCC4; O=C(N1CC2CC3
    CC(O)C(O)C2(C1)O3)C1CCC1; C1CC(C1)C(=O)N
    2C[C@@H]3C[C@H]4CC(C([C@]3(C2)O4)O)O    		 cyclobutyl[(3aS,4R,5R,7S,8aS)-4,5-dihydroxyhexahydro-1H-3a,7-epoxycyclohepta[c]pyrrol-2(3H)-yl]methanone
    35644 RHL 1 C22 H31 N3 O Rh InChI=1S/C22H31N3O.Rh/c1-
    2-3-4-5-6-7-8-9-10-17-22(
    26)25(20-15-11-13-18-23-2
    0)21-16-12-14-19-24-21;/h
    11-16,18-19H,2-10,17H2,1H
    3;;
    ZXPSHQNTCOAEBQ-UHFFFAOYSA-N    		 CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]
    3=CC=CC=C31; O=C(N1c3n([Rh]n2c1cccc2)ccc
    c3)CCCCCCCCCCC; [Rh]|1|n2ccccc2N(C(=O)CC
    CCCCCCCCC)c3ccccn|13    		 [N,N-di(pyridin-2-yl-kappaN)dodecanamide]rhodium
    35645 RHM 0 C22 H27 N6 Rh InChI=1S/C14H8N2.C8H19N4.
    Rh/c15-13-11-7-3-1-5-9(11
    )10-6-2-4-8-12(10)14(13)1
    6;1-7(9)5-11-3-4-12-6-8(2
    )10;/h1-8H;7-11H,3-6H2,1-
    2H3;/q-2;-3;+7/t;7-,8-;/m
    .1./s1;
    QQQIEFXIPDSOEX-IEPZTSNKSA-N    		 C[C@@H]1CNCCN2C[C@@H](C)N[Rh++]23(N1)N=C
    4c5ccccc5c6ccccc6C4=N3; C[C@@H]1CNCC[N@@
    ]2C[C@H](N[Rh+2]23(N1)N=C4c5ccccc5-c6ccc
    cc6C4=N3)C; CC1CNCCN2CC(N[Rh+2]23(N1)N=C
    4c5ccccc5-c6ccccc6C4=N3)C; N3=C6c1ccccc1
    c2ccccc2C6=N[Rh+2]345NC(C)CNCCN5CC(N4)C;
    C[CH]1CNCCN2C[CH](C)N[Rh++]23(N1)N=C4c5
    ccccc5c6ccccc6C4=N3    		 DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIAZADECANE]9,10-PHENANTHRENEQUINONE DIIMINE;
    RH(ME2TRIEN)PHI
    35646 RHN
    CHEMBL418068
    DB13174
    ZINC000004098704    		 4 C15 H8 O6 InChI=1S/C15H8O6/c16-9-3-
    1-2-7-11(9)14(19)12-8(13(
    7)18)4-6(15(20)21)5-10(12
    )17/h1-5,16-17H,(H,20,21);
    FCDLCPWAQCPTKC-UHFFFAOYSA-N    		 O=C(O)c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3
    ; OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2
    c1; c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)
    O)C2=O    		 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid;
    Rhein;
    Rhubarb Yellow
    35647 RHO
    DB03903    		 2 C28 H25 N3 O5 InChI=1S/C28H25N3O5/c1-29
    (2)16-5-9-20-23(14-16)36-
    24-15-17(30(3)4)6-10-21(2
    4)27(20)19-8-7-18(13-22(1
    9)28(34)35)31-25(32)11-12
    -26(31)33/h5-9,11-15H,10H
    2,1-4H3,(H,34,35);
    KGFLZYXDJDOIEE-UHFFFAOYSA-N    		 CN(C)C1=CCC2=C(c3ccc(cc3OC2=C1)N(C)C)c4c
    cc(cc4C(O)=O)N5C(=O)C=CC5=O; CN(C)c1ccc2
    c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C(
    =O)C=CC5=O)N(C)C; O=C1C=CC(=O)N1c5ccc(C=
    2c4c(OC=3C=2CC=C(N(C)C)C=3)cc(cc4)N(C)C)
    c(C(=O)O)c5    		 TETRAMETHYLRHODAMINE-5-MALEIMIDE;
    TMR
    35648 RHP
    CHEMBL371428
    DB04307    		 2 C12 H13 N O InChI=1S/C12H13NO/c1-2-7-
    13-12-6-4-9-3-5-10(14)8-1
    1(9)12/h1,3,5,8,12-14H,4,
    6-7H2/t12-/m1/s1;
    NRSDGDXUWMMUEV-GFCCVEGCSA-N    		 Oc1ccc2CC[CH](NCC#C)c2c1; C#CCNC1CCc2c1c
    c(cc2)O; Oc1ccc2CC[C@@H](NCC#C)c2c1; C#C
    CN[C@@H]1CCc2c1cc(cc2)O; Oc1ccc2c(c1)C(N
    CC#C)CC2    		 (3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL;
    5-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN
    35649 RHQ 25 C28 H31 N2 O3 InChI=1S/C28H30N2O3/c1-6-
    29-23-15-25-21(13-17(23)4
    )27(19-11-9-10-12-20(19)2
    8(31)32-8-3)22-14-18(5)24
    (30-7-2)16-26(22)33-25/h9
    -16,29H,6-8H2,1-5H3/p+1/b
    30-24-;
    IWWWBRIIGAXLCJ-KRUMMXJUSA-O    		 CCNc1cc2c(cc1C)C(=C3C=C(C(=[NH+]CC)C=C3O
    2)C)c4ccccc4C(=O)OCC; CCNc1cc2OC3=CC(=[N
    H+]CC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C
    ; O=C(OCC)c4ccccc4C=1c3c(OC=2C=1C=C(\C(=
    [NH+]/CC)C=2)C)cc(c(c3)C)NCC; CCNc1cc2c(
    cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4c
    cccc4C(=O)OCC    		 RHODAMINE 6G
    35650 RHR 75 C52 H107 O6 P InChI=1S/C52H107O6P/c1-42
    (2)21-13-23-44(5)25-15-27
    -46(7)29-17-31-48(9)33-19
    -35-50(11)37-38-56-40-52(
    41-58-59(53,54)55)57-39-5
    1(12)36-20-34-49(10)32-18
    -30-47(8)28-16-26-45(6)24
    -14-22-43(3)4/h42-52H,13-
    41H2,1-12H3,(H2,53,54,55)
    /t44-,45+,46-,47-,48-,49-
    ,50+,51+,52-/m0/s1;
    LOOIOWMHQRRBDQ-UYUJORPFSA-N    		 CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(C
    OP(=O)(O)O)OCC(C)CCCC(C)CCCC(C)CCCC(C)CC
    CC(C)C; C[C@H](CCC[C@H](C)CCC[C@@H](C)CC
    OC[C@@H](COP(=O)(O)O)OC[C@H](C)CCC[C@@H]
    (C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CCC[C
    @@H](C)CCCC(C)C; CC(C)CCCC(C)CCCC(C)CCCC
    (C)CCCC(C)CCOCC(OCC(C)CCCC(C)CCCC(C)CCCC
    (C)CCCC(C)C)COP(O)(=O)O; CC(C)CCC[CH](C)
    CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](C
    O[P](O)(O)=O)OC[CH](C)CCC[CH](C)CCC[CH](
    C)CCC[CH](C)CCCC(C)C; CC(C)CCC[C@H](C)CC
    C[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCOC[C@@
    H](CO[P](O)(O)=O)OC[C@H](C)CCC[C@@H](C)C
    CC[C@@H](C)CCC[C@H](C)CCCC(C)C    		 (2S)-3-{[(3R,7S,11S,15S)-3,7,11,15,19-pentamethylicosyl]oxy}-2-{[(2R,6S,10S,14R)-2,6,10,14,18-pentamethylnonadecyl]oxy}propyl dihydrogen phosphate
    35651 RHS
    DB08474
    ZINC000006591680    		 0 C13 H26 N2 O2 InChI=1S/C13H26N2O2/c1-6-
    9(7-2)15-11(16)8-10(12(14
    )17)13(3,4)5/h9-10H,6-8H2
    ,1-5H3,(H2,14,17)(H,15,16
    )/t10-/m0/s1;
    UVHRROJQACYJNP-JTQLQIEISA-N    		 CCC(CC)NC(=O)C[CH](C(N)=O)C(C)(C)C; O=C(
    NC(CC)CC)CC(C(=O)N)C(C)(C)C; CCC(CC)NC(=
    O)CC(C(=O)N)C(C)(C)C; CCC(CC)NC(=O)C[C@@
    H](C(=O)N)C(C)(C)C; CCC(CC)NC(=O)C[C@@H]
    (C(N)=O)C(C)(C)C    		 3-(CARBOXYAMIDE(2-CARBOXYAMIDE-2-TERTBUTYLETHYL))PENTAN
    35652 RHT
    CHEMBL5083489    		 1 C13 H13 N5 InChI=1S/C13H13N5/c1-18-7
    -16-10-3-2-8(4-11(10)18)9
    -5-12(14)17-13(15)6-9/h2-
    7H,1H3,(H4,14,15,17);
    SOLATORCLYYKKR-UHFFFAOYSA-N    		 Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N; Cn1cnc2c
    cc(cc12)c3cc(N)nc(N)c3    		 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine
    35653 RHU
    CHEMBL1778133
    ZINC000006072296    		 3 C4 H4 F3 N3 S InChI=1S/C4H4F3N3S/c1-10-
    2(4(5,6)7)8-9-3(10)11/h1H
    3,(H,9,11);
    HUZASKHMPBJXJP-UHFFFAOYSA-N    		 Cn1c(nnc1S)C(F)(F)F; Cn1c(S)nnc1C(F)(F)F 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol
    35654 RHV 1 C13 H18 N2 O3 InChI=1S/C13H18N2O3/c1-4-
    18-12(16)8-15-13(17)10(3)
    11-7-9(2)5-6-14-11/h5-7,1
    0H,4,8H2,1-3H3,(H,15,17)/
    t10-/m1/s1;
    KSDRXGUQEISVKG-SNVBAGLBSA-N    		 CCOC(=O)CNC(=O)[CH](C)c1cc(C)ccn1; CCOC(
    =O)CNC(=O)C(C)c1cc(ccn1)C; C(C(NCC(OCC)=
    O)=O)(C)c1cc(C)ccn1; CCOC(=O)CNC(=O)[C@H
    ](C)c1cc(ccn1)C; CCOC(=O)CNC(=O)[C@H](C)
    c1cc(C)ccn1    		 ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate
    35655 RHW
    CHEMBL5092362    		 1 C13 H11 N3 O InChI=1S/C13H11N3O/c14-12
    -6-10(7-13(15)16-12)8-1-2
    -11-9(5-8)3-4-17-11/h1-7H
    ,(H4,14,15,16);
    GMWUNXLQEKAPBL-UHFFFAOYSA-N    		 Nc1cc(cc(N)n1)c2ccc3occc3c2; c1cc2c(cco2
    )cc1c3cc(nc(c3)N)N    		 4-(1-benzofuran-5-yl)pyridine-2,6-diamine
    35656 RHX 1 C24 H19 N2 O2 Rh InChI=1S/C24H19N2O2.Rh/c1
    -3-8-17(9-4-1)21-15-27-23
    (25-21)19-12-7-13-20(14-1
    9)24-26-22(16-28-24)18-10
    -5-2-6-11-18;/h1-13,21-22
    H,15-16H2;/t21-,22-;/m1./
    s1;
    FCXWDODCDHPSDA-HLUKFBSCSA-N    		 c1ccc(cc1)[C@H]2COC3=[N]2[Rh]4c5c3cccc5C
    6=[N]4[C@H](CO6)c7ccccc7; c1ccc(cc1)C2CO
    C3=[N]2[Rh]4c5c3cccc5C6=[N]4C(CO6)c7cccc
    c7; [Rh]c1c(cccc1C2=N[C@H](CO2)c3ccccc3)
    C4=N[C@H](CO4)c5ccccc5; [Rh]c1c(cccc1C2=
    N[CH](CO2)c3ccccc3)C4=N[CH](CO4)c5ccccc5    		 [2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL]RHODIUM(III);
    [2,6-BIS(4-PHENYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL-KAPPAN)PHENYL-KAPPAC~1~]RHODIUM(3+)
    35657 RHY 1 C12 H15 N3 O2 InChI=1S/C12H15N3O2/c1-7(
    16)15-4-8-2-10-11-9(13-6-
    14-11)3-12(8,5-15)17-10/h
    6,8,10H,2-5H2,1H3,(H,13,1
    4)/t8-,10-,12+/m0/s1;
    FORSPVAMISDLIE-PTOFAABTSA-N    		 CC(=O)N1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]cnc3
    4; C321Cc4c(C(CC1CN(C2)C(C)=O)O3)ncn4; C
    C(=O)N1CC2CC3c4c([nH]cn4)CC2(C1)O3; CC(=
    O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1
    )O3; CC(=O)N1C[C@@H]2C[C@@H]3O[C@@]2(C1)
    Cc4[nH]cnc34    		 1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one
    35658 RHZ
    CHEMBL5078346    		 1 C12 H11 Cl N2 O InChI=1S/C12H11ClN2O/c1-1
    6-11-6-8(2-3-10(11)13)9-4
    -5-15-12(14)7-9/h2-7H,1H3
    ,(H2,14,15);
    XNQXYTWAWZWTHH-UHFFFAOYSA-N    		 COc1cc(ccc1Cl)c2ccnc(c2)N; COc1cc(ccc1Cl
    )c2ccnc(N)c2    		 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine
    35659 RI1 2 C18 H14 Cl N3 O3 S InChI=1S/C18H14ClN3O3S/c1
    9-12-5-6-17-14(7-12)15(9-
    21-26(17,24)25)18(23)22-1
    6-10-20-8-11-3-1-2-4-13(1
    1)16/h1-8,10,15,21H,9H2,(
    H,22,23)/t15-/m1/s1;
    DEOCOIVMHQCEOX-OAHLLOKOSA-N    		 c1ccc2c(c1)cncc2NC(=O)[C@@H]3CNS(=O)(=O)
    c4c3cc(cc4)Cl; c1ccc2c(c1)cncc2NC(=O)C3C
    NS(=O)(=O)c4c3cc(cc4)Cl; Clc1ccc2c(c1)C(
    CNS2(=O)=O)C(=O)Nc1cncc2ccccc21; Clc1ccc
    2c(c1)[CH](CN[S]2(=O)=O)C(=O)Nc3cncc4ccc
    cc34; Clc1ccc2c(c1)[C@@H](CN[S]2(=O)=O)C
    (=O)Nc3cncc4ccccc34    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
    35660 RI2
    ZINC000013522068    		 29 C5 H12 O11 P2 InChI=1S/C5H12O11P2/c6-3-
    2(1-14-17(8,9)10)15-5(4(3
    )7)16-18(11,12)13/h2-7H,1
    H2,(H2,8,9,10)(H2,11,12,1
    3)/t2-,3-,4-,5-/m1/s1;
    AAAFZMYJJHWUPN-TXICZTDVSA-N    		 C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O
    )O)O)OP(=O)(O)O; O[CH]1[CH](O)[CH](O[CH]
    1CO[P](O)(O)=O)O[P](O)(O)=O; O=P(O)(O)OC
    C1OC(OP(=O)(O)O)C(O)C1O; C(C1C(C(C(O1)OP
    (=O)(O)O)O)O)OP(=O)(O)O; O[C@H]1[C@@H](O
    )[C@H](O[C@@H]1CO[P](O)(O)=O)O[P](O)(O)=
    O    		 1,5-di-O-phosphono-alpha-D-ribofuranose;
    1,5-di-O-phosphono-alpha-D-ribose;
    1,5-di-O-phosphono-D-ribose;
    1,5-di-O-phosphono-ribose
    35661 RI3 1 C18 H16 F2 N4 O2 InChI=1S/C18H16F2N4O2/c19
    -10-3-4-11-13(5-10)23-15-
    14(11)16(22-8-21-15)24-6-
    12(9-1-2-9)18(20,7-24)17(
    25)26/h3-5,8-9,12H,1-2,6-
    7H2,(H,25,26)(H,21,22,23)
    /t12-,18-/m0/s1;
    NYJHYZIQBWNOCJ-SGTLLEGYSA-N    		 OC(=O)[C@]1(F)CN(C[C@H]1C2CC2)c3ncnc4[nH
    ]c5cc(F)ccc5c34; c1cc2c(cc1F)[nH]c3c2c(n
    cn3)N4CC(C(C4)(C(=O)O)F)C5CC5; OC(=O)[C]
    1(F)CN(C[CH]1C2CC2)c3ncnc4[nH]c5cc(F)ccc
    5c34; c1cc2c(cc1F)[nH]c3c2c(ncn3)N4C[C@H
    ]([C@@](C4)(C(=O)O)F)C5CC5; O=C(O)C1(F)C
    N(CC1C1CC1)c1ncnc2[NH]c3cc(F)ccc3c12    		 (3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid
    35662 RI4 1 C21 H23 N5 O InChI=1S/C21H23N5O/c1-3-8
    -14(9-4-1)18-15-10-5-2-6-
    11-16(15)22-20(17-12-7-13
    -27-17)19(18)21-23-25-26-
    24-21/h1,3-4,8-9,17H,2,5-
    7,10-13H2,(H,23,24,25,26)
    /t17-/m1/s1;
    SKRDIGRVKJJTFE-QGZVFWFLSA-N    		 C1CCc2nc([C@H]3CCCO3)c(c4[nH]nnn4)c(c2CC
    1)c5ccccc5; c1ccc(cc1)c2c3c(nc(c2c4[nH]n
    nn4)C5CCCO5)CCCCC3; C1CCc2nc([CH]3CCCO3)
    c(c4[nH]nnn4)c(c2CC1)c5ccccc5; C1CCCCc2c
    1nc(C1CCCO1)c(c1nnn[NH]1)c2c1ccccc1; c1c
    cc(cc1)c2c3c(nc(c2c4[nH]nnn4)[C@H]5CCCO5
    )CCCCC3    		 (3P)-2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
    35663 RI5
    CHEMBL47244
    ZINC000004098166    		 20 C15 H16 O6 InChI=1S/C15H16O6/c1-5(2)
    7-8-11(16)19-9(7)10-13(3)
    14(8,18)4-6-15(13,21-6)12
    (17)20-10/h6-10,18H,1,4H2
    ,2-3H3/t6-,7+,8-,9-,10-,1
    3-,14-,15+/m1/s1;
    PIMZUZSSNYHVCU-YKWPQBAZSA-N    		 CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)
    C[C@H]4O[C@]45C(=O)O[C@H]2[C@]35C; O=C3O
    C4C1OC(=O)C25OC5CC(O)(C12C)C3C4C(=C)/C;
    CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([
    C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O
    )C; CC(=C)[CH]1[CH]2OC(=O)[CH]1[C]3(O)C[
    CH]4O[C]45C(=O)O[CH]2[C]35C; CC(=C)C1C2C
    3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C    		 (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione;
    PICROTOXIN
    35664 RI6 1 C22 H20 Cl2 N4 O2 InChI=1S/C22H20Cl2N4O2/c1
    -25-21(29)12-28-10-13-2-3
    -16(24)7-18(13)19(11-28)2
    2(30)27-20-9-26-8-14-6-15
    (23)4-5-17(14)20/h2-9,19H
    ,10-12H2,1H3,(H,25,29)(H,
    27,30)/t19-/m1/s1;
    LLZCKRVJSZRHHK-LJQANCHMSA-N    		 CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc(Cl)ccc
    23)c4cc(Cl)ccc4C1; CNC(=O)CN1Cc2ccc(cc2C
    (C1)C(=O)Nc3cncc4c3ccc(c4)Cl)Cl; CNC(=O)
    CN1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cc
    c(c4)Cl)Cl; CNC(=O)CN1C[CH](C(=O)Nc2cncc
    3cc(Cl)ccc23)c4cc(Cl)ccc4C1; Clc1ccc2c(c
    1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)N
    C    		 (4S)-6-chloro-N-(7-chloroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35665 RI7 1 C17 H17 F N4 O3 InChI=1S/C17H17FN4O3/c1-2
    4-14(23)7-11-8-22(4-5-25-
    11)17-15-12-3-2-10(18)6-1
    3(12)21-16(15)19-9-20-17/
    h2-3,6,9,11H,4-5,7-8H2,1H
    3,(H,19,20,21)/t11-/m0/s1;
    MJWKGJBWQCLDGE-NSHDSACASA-N    		 O=C(OC)CC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3
    c12; COC(=O)CC1CN(CCO1)c2c3c4ccc(cc4[nH]
    c3ncn2)F; COC(=O)C[C@H]1CN(CCO1)c2c3c4cc
    c(cc4[nH]c3ncn2)F; COC(=O)C[C@H]1CN(CCO1
    )c2ncnc3[nH]c4cc(F)ccc4c23; COC(=O)C[CH]
    1CN(CCO1)c2ncnc3[nH]c4cc(F)ccc4c23    		 methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate
    35666 RI8
    CHEMBL2047876
    ZINC000084669114    		 2 C16 H15 F2 N5 O3 S2 InChI=1S/C16H15F2N5O3S2/c
    1-2-5-28(25,26)23-10-4-3-
    9(17)13(11(10)18)22-16(24
    )8-6-27-14-12(8)20-7-21-1
    5(14)19/h3-4,6-7,23H,2,5H
    2,1H3,(H,22,24)(H2,19,20,
    21);
    WWRQXSNKYPVJOU-UHFFFAOYSA-N    		 O=S(=O)(Nc1ccc(F)c(c1F)NC(=O)c2c3ncnc(c3
    sc2)N)CCC; CCC[S](=O)(=O)Nc1ccc(F)c(NC(=
    O)c2csc3c(N)ncnc23)c1F; CCCS(=O)(=O)Nc1c
    cc(c(c1F)NC(=O)c2csc3c2ncnc3N)F    		 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide
    35667 RI9
    CHEMBL2047869
    ZINC000084668842    		 2 C16 H20 F2 N6 O4 S InChI=1S/C16H20F2N6O4S/c1
    -2-7-29(27,28)24-11-4-3-1
    0(17)15(14(11)18)23-16(26
    )22-13-8-12(19-5-6-25)20-
    9-21-13/h3-4,8-9,24-25H,2
    ,5-7H2,1H3,(H3,19,20,21,2
    2,23,26);
    RFXIGXFNQUUTSZ-UHFFFAOYSA-N    		 O=C(Nc1ncnc(c1)NCCO)Nc2c(F)ccc(NS(=O)(=O
    )CCC)c2F; CCC[S](=O)(=O)Nc1ccc(F)c(NC(=O
    )Nc2cc(NCCO)ncn2)c1F; CCCS(=O)(=O)Nc1ccc
    (c(c1F)NC(=O)Nc2cc(ncn2)NCCO)F    		 N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide
    35668 RIA
    ZINC000058660780    		 2 C15 H23 N5 O14 P2 InChI=1S/C15H23N5O14P2/c1
    6-12-7-13(18-3-17-12)20(4
    -19-7)14-11(9(22)6(32-14)
    2-31-36(27,28)29)34-15-10
    (23)8(21)5(33-15)1-30-35(
    24,25)26/h3-6,8-11,14-15,
    21-23H,1-2H2,(H2,16,17,18
    )(H2,24,25,26)(H2,27,28,2
    9)/t5-,6-,8-,9-,10-,11-,1
    4-,15+/m1/s1;
    BHIWBSNWEZIHHL-ZQSHOCFMSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O
    )[CH](O)[CH]3O[CH]4O[CH](CO[P](O)(O)=O)[
    CH](O)[CH]4O; Nc1ncnc2n(cnc12)[C@@H]3O[C
    @H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O[C@@H]
    4O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]4O;
    c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    )O)OC4C(C(C(O4)COP(=O)(O)O)O)O)N; c1nc(c
    2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3
    )COP(=O)(O)O)O)O[C@H]4[C@@H]([C@@H]([C@H
    ](O4)COP(=O)(O)O)O)O)N; O=P(O)(O)OCC4OC(
    n1c2ncnc(N)c2nc1)C(OC3OC(C(O)C3O)COP(=O)
    (O)O)C4O    		 2'-O-[(5'-PHOSPHO)RIBOSYL]ADENOSINE-5'-MONOPHOSPHATE
    35669 RIB
    CHEMBL606078
    ZINC000003860714    		 79 C5 H10 O5 InChI=1S/C5H10O5/c6-1-2-3
    (7)4(8)5(9)10-2/h2-9H,1H2
    /t2-,3-,4-,5+/m1/s1;
    HMFHBZSHGGEWLO-AIHAYLRMSA-N    		 C(C1C(C(C(O1)O)O)O)O; OC[CH]1O[CH](O)[CH
    ](O)[CH]1O; OC[C@H]1O[C@H](O)[C@H](O)[C@
    @H]1O; C([C@@H]1[C@H]([C@H]([C@H](O1)O)O
    )O)O; OC1C(OC(O)C1O)CO    		 alpha-D-ribofuranose;
    alpha-D-ribose;
    D-ribose;
    ribose
    35670 RIC 0 C14 H19 N2 O7 P InChI=1/C14H19N2O7P/c1-7-
    3-9-10(4-8(7)2)16(6-15-9)
    14-13(18)12(17)11(23-14)5
    -22-24(19,20)21/h3-4,6,11
    -14,17-18H,5H2,1-2H3,(H2,
    19,20,21)/t11-,12-,13-,14
    +/m1/s1/f/h19-20H;
    ZMRGXEJKZPRBPJ-SZZIEQPWDN    		 Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H](
    [C@H](O3)COP(=O)(O)O)O)O; O=P(O)(O)OCC3O
    C(n2cnc1cc(c(cc12)C)C)C(O)C3O; Cc1cc2c(c
    c1C)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O; Cc
    1cc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)
    [CH]3O)c2cc1C; Cc1cc2ncn([C@H]3O[C@H](CO
    [P](O)(O)=O)[C@@H](O)[C@H]3O)c2cc1C    		 PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2YLMETHYL] ESTER
    35671 RID
    CHEMBL1207385
    ZINC000024963177    		 8 C30 H37 F N2 O7 S InChI=1S/C30H37FN2O7S/c1-
    20(2)28-30(41(38,39)32-14
    -16-40-17-15-32)27(21-6-4
    -3-5-7-21)29(22-8-10-23(3
    1)11-9-22)33(28)13-12-24(
    34)18-25(35)19-26(36)37/h
    3-11,20,24-25,34-35H,12-1
    9H2,1-2H3,(H,36,37)/t24-,
    25-/m1/s1;
    XLVZRBHNHHAPDT-JWQCQUIFSA-N    		 CC(C)c1n(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(
    c2ccc(F)cc2)c(c3ccccc3)c1[S](=O)(=O)N4CC
    OCC4; CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=
    O)O)O)O)c2ccc(cc2)F)c3ccccc3)S(=O)(=O)N4
    CCOCC4; O=S(=O)(N1CCOCC1)c4c(c2ccccc2)c(
    c3ccc(F)cc3)n(c4C(C)C)CCC(O)CC(O)CC(=O)O
    ; CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2cc
    c(cc2)F)c3ccccc3)S(=O)(=O)N4CCOCC4; CC(C
    )c1n(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(F)
    cc2)c(c3ccccc3)c1[S](=O)(=O)N4CCOCC4    		 (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
    35672 RIE
    CHEMBL1207355
    ZINC000014974373    		 8 C29 H36 F N3 O5 InChI=1S/C29H36FN3O5/c1-1
    8(2)27-25(15-14-23(34)16-
    24(35)17-26(36)37)33(22-1
    2-10-21(30)11-13-22)31-28
    (27)29(38)32(4)19(3)20-8-
    6-5-7-9-20/h5-13,18-19,23
    -24,34-35H,14-17H2,1-4H3,
    (H,36,37)/t19-,23-,24-/m1
    /s1;
    MPDDTAJMJCESGV-CTUHWIOQSA-N    		 O=C(O)CC(O)CC(O)CCc2c(c(nn2c1ccc(F)cc1)C
    (=O)N(C(c3ccccc3)C)C)C(C)C; CC(C)c1c(n(n
    c1C(=O)N(C)[C@H](C)c2ccccc2)c3ccc(cc3)F)
    CC[C@H](C[C@H](CC(=O)O)O)O; CC(C)c1c(CC[
    CH](O)C[CH](O)CC(O)=O)n(nc1C(=O)N(C)[CH]
    (C)c2ccccc2)c3ccc(F)cc3; CC(C)c1c(n(nc1C
    (=O)N(C)C(C)c2ccccc2)c3ccc(cc3)F)CCC(CC(
    CC(=O)O)O)O; CC(C)c1c(CC[C@@H](O)C[C@@H]
    (O)CC(O)=O)n(nc1C(=O)N(C)[C@H](C)c2ccccc
    2)c3ccc(F)cc3    		 (3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid
    35673 RIF 1 C49 H65 N3 O15 InChI=1S/C49H65N3O15/c1-2
    5-12-10-13-26(2)48(61)50-
    38-39(52-17-20-63-21-18-5
    2)44(59)35-36(43(38)58)42
    (57)30(6)46-37(35)47(60)4
    9(7,67-46)65-19-15-32(62-
    9)27(3)45(29(5)41(56)28(4
    )40(25)55)66-34(54)24-64-
    33(53)22-31-14-11-16-51(8
    )23-31/h10-13,15-16,19,23
    ,25,27-29,32,35-36,40-41,
    45,55-59H,14,17-18,20-22,
    24H2,1-9H3,(H,50,61)/b12-
    10+,19-15+,26-13-/t25-,27
    +,28+,29+,32-,35?,36+,40-
    ,41+,45+,49-/m0/s1;
    CHVBGOATCBIEAJ-XFPQHQHISA-N    		 CO[C@H]1\C=C\O[C@@]2(C)OC3=C([C@H]4[C@H]
    (C(=C3C)O)C(=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(=O)COC(=O)CC5=CN(C)C=CC5)[C@@H]1C)C)C
    (=C4O)N6CCOCC6)O)C2=O; O=C(OCC(=O)OC5C(C
    )C(OC)C=COC2(OC=1C(=C(O)C3C(O)=C(C(=C(O)
    C3C=1C2=O)N4CCOCC4)NC(=O)C(=CC=CC(C)C(O)
    C(C)C(O)C5C)C)C)C)CC6=CN(C=CC6)C; CC1C=C
    C=C(C(=O)NC2=C(C3C(C4=C(C(=C3O)C)OC(C4=O
    )(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)COC(=O
    )CC5=CN(C=CC5)C)C)OC)C)C(=C2N6CCOCC6)O)O
    )C; C[C@H]1\C=C\C=C(/C(=O)NC2=C(C3C(C4=C
    (C(=C3O)C)O[C@@](C4=O)(O\C=C\[C@@H]([C@H
    ]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O
    )C)OC(=O)COC(=O)CC5=CN(C=CC5)C)C)OC)C)C(
    =C2N6CCOCC6)O)O)\C; CO[CH]1C=CO[C]2(C)OC
    3=C([CH]4[CH](C(=C3C)O)C(=C(NC(=O)C(=CC=
    C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH]
    (OC(=O)COC(=O)CC5=CN(C)C=CC5)[CH]1C)C)C(
    =C4O)N6CCOCC6)O)C2=O    		 RIFAMYCIN CGP 4832
    35674 RIJ 2 C24 H21 Cl N4 O3 InChI=1S/C24H21ClN4O3/c1-
    26-21(30)13-28-12-16-6-7-
    17(25)8-19(16)24(14-28)9-
    22(31)29(23(24)32)20-11-2
    7-10-15-4-2-3-5-18(15)20/
    h2-8,10-11H,9,12-14H2,1H3
    ,(H,26,30)/t24-/m1/s1;
    UQYRJVFIAXFIFV-XMMPIXPASA-N    		 CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=
    O)c4cncc5c4cccc5)Cl; CNC(=O)CN1Cc2ccc(Cl
    )cc2[C]3(C1)CC(=O)N(C3=O)c4cncc5ccccc45;
    CNC(=O)CN1Cc2ccc(Cl)cc2C2(CC(=O)N(C2=O)
    c2cncc3ccccc32)C1; CNC(=O)CN1Cc2ccc(cc2C
    3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl; CNC
    (=O)CN1Cc2ccc(Cl)cc2[C@]3(C1)CC(=O)N(C3=
    O)c4cncc5ccccc45    		 2-[(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2',5'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
    35675 RIK 1 C17 H17 F N4 O3 InChI=1S/C17H17FN4O3/c18-
    10-1-3-12-13(7-10)21-16-1
    5(12)17(20-9-19-16)22-5-6
    -25-11(8-22)2-4-14(23)24/
    h1,3,7,9,11H,2,4-6,8H2,(H
    ,23,24)(H,19,20,21)/t11-/
    m1/s1;
    USMUUUCYHOVMGT-LLVKDONJSA-N    		 O=C(O)CCC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3
    c12; OC(=O)CC[CH]1CN(CCO1)c2ncnc3[nH]c4c
    c(F)ccc4c23; OC(=O)CC[C@@H]1CN(CCO1)c2nc
    nc3[nH]c4cc(F)ccc4c23; c1cc2c(cc1F)[nH]c
    3c2c(ncn3)N4CCO[C@@H](C4)CCC(=O)O; c1cc2
    c(cc1F)[nH]c3c2c(ncn3)N4CCOC(C4)CCC(=O)O    		 3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid
    35676 RIL
    DB08475
    ZINC000033821503    		 2 C12 H23 O5 P InChI=1S/C12H23O5P/c1-4-5
    -6-7-8-18(13,14)16-10-11-
    9-15-12(2,3)17-11/h4,11H,
    1,5-10H2,2-3H3,(H,13,14)/
    t11-/m0/s1;
    BUTLRPVAJSANIT-NSHDSACASA-N    		 CC1(C)OC[C@@H](CO[P@](O)(=O)CCCCC=C)O1;
    CC1(OC[C@H](O1)CO[P@](=O)(CCCCC=C)O)C; C
    C1(C)OC[CH](CO[P](O)(=O)CCCCC=C)O1; O=P(
    OCC1OC(OC1)(C)C)(O)CCCC\C=C; CC1(OCC(O1)
    COP(=O)(CCCCC=C)O)C    		 [(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE;
    O-[(R)-1,2,-O-ISOPROPYLIDENE-SN-GLYCEROL]6-HEXENYL PHOSPHONATE;
    O-[(R)-IPG] 6-HEXENYL PHOSPHONATE
    35677 RIM 2 C12 H21 N InChI=1S/C12H21N/c1-8(13)
    12-5-9-2-10(6-12)4-11(3-9
    )7-12/h8-11H,2-7,13H2,1H3
    /t8-,9-,10+,11-,12-/m1/s1;
    UBCHPRBFMUDMNC-RMPHRYRLSA-N    		 C[CH](N)C12CC3CC(CC(C3)C1)C2; NC(C)C13CC
    2CC(CC(C1)C2)C3; C[C@H](C12CC3CC(C1)CC(C
    3)C2)N; C[C@@H](N)C12CC3CC(CC(C3)C1)C2;
    CC(C12CC3CC(C1)CC(C3)C2)N    		 RIMANTADINE;
    1-(1-ADAMANTYL)ETHANAMINE
    35678 RIN
    DB08476
    ZINC000005840837    		 2 C12 H24 N2 O InChI=1S/C12H24N2O/c13-11
    -9-7-5-3-1-2-4-6-8-10-14-
    12(11)15/h11H,1-10,13H2,(
    H,14,15)/t11-/m0/s1;
    CQZLEYBEPASILI-NSHDSACASA-N    		 O=C1NCCCCCCCCCCC1N; N[C@H]1CCCCCCCCCCNC1
    =O; C1CCCCCNC(=O)C(CCCC1)N; N[CH]1CCCCCC
    CCCCNC1=O; C1CCCCCNC(=O)[C@H](CCCC1)N    		 3-AMINO-AZACYCLOTRIDECAN-2-ONE
    35679 RIO
    CHEMBL221572
    DB03615
    ZINC000053255716    		 27 C17 H34 N4 O10 InChI=1S/C17H34N4O10/c18-
    2-6-10(24)12(26)8(21)16(2
    8-6)30-14-5(20)1-4(19)9(2
    3)15(14)31-17-13(27)11(25
    )7(3-22)29-17/h4-17,22-27
    H,1-3,18-21H2/t4-,5+,6-,7
    -,8-,9+,10-,11-,12-,13-,1
    4-,15-,16-,17+/m1/s1;
    NSKGQURZWSPSBC-VVPCINPTSA-N    		 O(C2C(OC1OC(CN)C(O)C(O)C1N)C(N)CC(N)C2O)
    C3OC(C(O)C3O)CO; C1C(C(C(C(C1N)OC2C(C(C(
    C(O2)CN)O)O)N)OC3C(C(C(O3)CO)O)O)O)N; C1
    [C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H
    ]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)
    O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N
    ; NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH]
    (O)[CH]2O[CH]3O[CH](CO)[CH](O)[CH]3O)[CH
    ](N)[CH](O)[CH]1O; NC[C@H]1O[C@H](O[C@@H
    ]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@
    H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C
    @@H](O)[C@@H]1O    		 RIBOSTAMYCIN;
    5-AMINO-2-AMINOMETHYL-6-[4,6-DIAMINO-2-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YLOXY)-3-HYDROXY-CYCLOHEXYLOXY ]-TETRAHYDRO-PYRAN-3,4-DIOL;
    (1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside
    35680 RIP
    CHEMBL1159662
    DB04286
    ZINC000004097544    		 38 C5 H10 O5 InChI=1S/C5H10O5/c6-2-1-1
    0-5(9)4(8)3(2)7/h2-9H,1H2
    /t2-,3-,4-,5-/m1/s1;
    SRBFZHDQGSBBOR-TXICZTDVSA-N    		 C1C(C(C(C(O1)O)O)O)O; C1[C@H]([C@H]([C@H
    ]([C@@H](O1)O)O)O)O; O[CH]1CO[CH](O)[CH]
    (O)[CH]1O; O[C@@H]1CO[C@@H](O)[C@H](O)[C
    @@H]1O; OC1C(O)COC(O)C1O    		 beta-D-ribopyranose;
    beta-D-ribose;
    D-ribose;
    ribose;
    RIBOSE(PYRANOSE FORM)
    35681 RIQ 1 C10 H9 Cl2 N O InChI=1S/C10H9Cl2NO/c1-6(
    14)13-5-4-7-9(13)3-2-8(11
    )10(7)12/h2-3H,4-5H2,1H3;
    FSLARAPYXMNEFP-UHFFFAOYSA-N    		 CC(=O)N1CCc2c1ccc(c2Cl)Cl; CC(=O)N1CCc2c
    (Cl)c(Cl)ccc12    		 1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone
    35682 RIR 2 C10 H15 Ir InChI=1S/C10H15.Ir/c1-6-7
    (2)9(4)10(5)8(6)3;/h1-5H3
    ;;
    VPSULBJUKFCKKU-UHFFFAOYSA-N    		 CC12=C3([Ir]145C2(=C4(C53C)C)C)C; [Ir]12
    34C5(=C1(C2(C3(=C45C)C)C)C)C; CC1=C(C)C(
    C)([Ir])C(=C1C)C    		 [(1,2,3,4,5-Eta)-1,2,3,4,5-Pentamethylcyclopentadienyl]iridium(III)
    35683 RIS
    CHEMBL923
    DB00884
    ZINC000001531009    		 23 C7 H11 N O7 P2 InChI=1S/C7H11NO7P2/c9-7(
    16(10,11)12,17(13,14)15)4
    -6-2-1-3-8-5-6/h1-3,5,9H,
    4H2,(H2,10,11,12)(H2,13,1
    4,15);
    IIDJRNMFWXDHID-UHFFFAOYSA-N    		 OC(Cc1cccnc1)([P](O)(O)=O)[P](O)(O)=O; O
    =P(O)(O)C(O)(P(=O)(O)O)Cc1cccnc1; c1cc(c
    nc1)CC(O)(P(=O)(O)O)P(=O)(O)O    		 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID;
    Risedronate
    35684 RIT
    CHEMBL163
    DB00503
    ZINC000003944422    		 36 C37 H48 N6 O5 S2 InChI=1S/C37H48N6O5S2/c1-
    24(2)33(42-36(46)43(5)20-
    29-22-49-35(40-29)25(3)4)
    34(45)39-28(16-26-12-8-6-
    9-13-26)18-32(44)31(17-27
    -14-10-7-11-15-27)41-37(4
    7)48-21-30-19-38-23-50-30
    /h6-15,19,22-25,28,31-33,
    44H,16-18,20-21H2,1-5H3,(
    H,39,45)(H,41,47)(H,42,46
    )/t28-,31-,32-,33-/m0/s1;
    NCDNCNXCDXHOMX-XGKFQTDJSA-N    		 CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(
    =O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3cc
    ccc3)NC(=O)OCc4cncs4)O; CC(C)c1nc(cs1)CN
    (C)C(=O)NC(C(C)C)C(=O)NC(Cc2ccccc2)CC(C(
    Cc3ccccc3)NC(=O)OCc4cncs4)O; CC(C)[CH](N
    C(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[CH](C[CH
    ](O)[CH](Cc2ccccc2)NC(=O)OCc3scnc3)Cc4cc
    ccc4; CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C
    )C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)
    NC(=O)OCc3scnc3)Cc4ccccc4; O=C(OCc1scnc1
    )NC(Cc2ccccc2)C(O)CC(NC(=O)C(NC(=O)N(Cc3
    nc(sc3)C(C)C)C)C(C)C)Cc4ccccc4    		 RITONAVIR;
    A-84538
    35685 RIU 2 C21 H22 Cl N3 O2 InChI=1S/C21H22ClN3O2/c1-
    25(2)8-9-27-18-7-6-16-13-
    23-14-20(19(16)12-18)24-2
    1(26)11-15-4-3-5-17(22)10
    -15/h3-7,10,12-14H,8-9,11
    H2,1-2H3,(H,24,26);
    XNJZKRXHKUJCAT-UHFFFAOYSA-N    		 CN(C)CCOc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c
    2c1; Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)
    OCCN(C)C; CN(C)CCOc1ccc2cncc(c2c1)NC(=O)
    Cc3cccc(c3)Cl    		 2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
    35686 RIV
    CHEMBL198362
    DB06228
    ZINC000003964126    		 2 C19 H18 Cl N3 O5 S InChI=1S/C19H18ClN3O5S/c2
    0-16-6-5-15(29-16)18(25)2
    1-9-14-10-23(19(26)28-14)
    13-3-1-12(2-4-13)22-7-8-2
    7-11-17(22)24/h1-6,14H,7-
    11H2,(H,21,25)/t14-/m0/s1;
    KGFYHTZWPPHNLQ-AWEZNQCLSA-N    		 c1cc(ccc1N2CCOCC2=O)N3C[C@@H](OC3=O)CNC(
    =O)c4ccc(s4)Cl; Clc1sc(cc1)C(=O)NC[C@H]2
    CN(C(=O)O2)c3ccc(cc3)N4CCOCC4=O; O=C(NCC
    3OC(=O)N(c2ccc(N1C(=O)COCC1)cc2)C3)c4sc(
    Cl)cc4; c1cc(ccc1N2CCOCC2=O)N3CC(OC3=O)C
    NC(=O)c4ccc(s4)Cl; Clc1sc(cc1)C(=O)NC[CH
    ]2CN(C(=O)O2)c3ccc(cc3)N4CCOCC4=O    		 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide;
    Rivaroxaban
    35687 RIW 1 C14 H12 F N5 O InChI=1S/C14H12FN5O/c15-8
    -3-4-9-10(6-8)18-13-12(9)
    14(17-7-16-13)19-20-5-1-2
    -11(20)21/h3-4,6-7H,1-2,5
    H2,(H2,16,17,18,19);
    NFUGNDSRCURWKQ-UHFFFAOYSA-N    		 Fc1ccc2c([nH]c3ncnc(NN4CCCC4=O)c23)c1; c
    1cc2c(cc1F)[nH]c3c2c(ncn3)NN4CCCC4=O; Fc
    1ccc2c3c(ncnc3[NH]c2c1)NN1CCCC1=O    		 1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one
    35688 RIX 1 C11 H8 Cl N O3 InChI=1S/C11H8ClNO3/c1-16
    -11(15)10(14)13-6-5-7-8(1
    2)3-2-4-9(7)13/h2-6H,1H3;
    QRAIXQAFCRLHNQ-UHFFFAOYSA-N    		 COC(=O)C(=O)n1ccc2c1cccc2Cl; COC(=O)C(=O
    )n1ccc2c(Cl)cccc12    		 methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate
    35689 RIY 2 C21 H21 Cl N4 O3 S InChI=1S/C21H21ClN4O3S/c1
    -2-24-30(28,29)26-12-15-7
    -8-16(22)9-18(15)19(13-26
    )21(27)25-20-11-23-10-14-
    5-3-4-6-17(14)20/h3-11,19
    ,24H,2,12-13H2,1H3,(H,25,
    27)/t19-/m1/s1;
    BOQXHOIRFSIWNF-LJQANCHMSA-N    		 CCN[S](=O)(=O)N1C[C@@H](C(=O)Nc2cncc3ccc
    cc23)c4cc(Cl)ccc4C1; CCNS(=O)(=O)N1Cc2cc
    c(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl; CCN[S
    ](=O)(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4
    cc(Cl)ccc4C1; CCNS(=O)(=O)N1Cc2ccc(Cl)cc
    2C(C1)C(=O)Nc1cncc2ccccc21; CCNS(=O)(=O)
    N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3ccc
    c4)Cl    		 (4S)-6-chloro-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35690 RIZ 1 C17 H17 F N4 O2 InChI=1S/C17H17FN4O2/c18-
    9-5-6-10-13(7-9)22-16-14(
    10)15(19-8-20-16)21-12-4-
    2-1-3-11(12)17(23)24/h5-8
    ,11-12H,1-4H2,(H,23,24)(H
    2,19,20,21,22)/t11-,12+/m
    1/s1;
    VLGDVQRYEOXYDY-NEPJUHHUSA-N    		 c1cc2c(cc1F)[nH]c3c2c(ncn3)N[C@H]4CCCC[C
    @H]4C(=O)O; O=C(O)C1CCCCC1Nc1ncnc2[NH]c3
    cc(F)ccc3c12; c1cc2c(cc1F)[nH]c3c2c(ncn3
    )NC4CCCCC4C(=O)O; OC(=O)[C@@H]1CCCC[C@@H
    ]1Nc2ncnc3[nH]c4cc(F)ccc4c23; OC(=O)[CH]
    1CCCC[CH]1Nc2ncnc3[nH]c4cc(F)ccc4c23    		 (1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid
    35691 RJ0
    CHEMBL4570581
    ZINC000036334122    		 1 C11 H11 N O InChI=1S/C11H11NO/c1-2-11
    (13)12-8-7-9-5-3-4-6-10(9
    )12/h2-6H,1,7-8H2;
    MBODXUXQQPORNR-UHFFFAOYSA-N    		 C=CC(=O)N1CCc2ccccc12; C=CC(=O)N1CCc2c1c
    ccc2    		 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
    35692 RJ1
    CHEMBL219484
    DB08478
    ZINC000000073041    		 2 C9 H9 Cl F3 N5 InChI=1S/C9H9ClF3N5/c10-5
    -2-1-4(9(11,12)13)3-6(5)1
    7-8(16)18-7(14)15/h1-3H,(
    H6,14,15,16,17,18);
    IGFTZEOFHWPCDL-UHFFFAOYSA-N    		 NC(=N)NC(=N)Nc1cc(ccc1Cl)C(F)(F)F; [H]/N
    =C(\N)/N/C(=N\[H])/Nc1cc(ccc1Cl)C(F)(F)F
    ; [H]N=C(N)NC(=N[H])Nc1cc(ccc1Cl)C(F)(F)
    F; Clc1ccc(cc1NC(=[N@H])NC(=[N@H])N)C(F)
    (F)F    		 N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide;
    2-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-1-chloro-4-(trifluoromethyl)benzene
    35693 RJ2
    CHEMBL5085033    		 1 C17 H17 N3 O InChI=1S/C17H17N3O/c1-2-1
    6-15(4-10-21-16)11-13(1)1
    4-3-5-19-17(12-14)20-8-6-
    18-7-9-20/h1-5,10-12,18H,
    6-9H2;
    BRUNUGURQIJSRJ-UHFFFAOYSA-N    		 C1CN(CCN1)c2cc(ccn2)c3ccc4occc4c3; c1cc2
    c(cco2)cc1c3ccnc(c3)N4CCNCC4    		 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine
    35694 RJ3 2 C18 H13 Cl N2 O3 InChI=1S/C18H13ClN2O3/c19
    -14-3-1-2-11(6-14)7-17(22
    )21-16-10-20-9-13-8-12(18
    (23)24)4-5-15(13)16/h1-6,
    8-10H,7H2,(H,21,22)(H,23,
    24);
    OOJDKYAMUUAETB-UHFFFAOYSA-N    		 Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(=O)
    O; c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2ccc(c3)
    C(=O)O; OC(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c
    3)cncc2c1    		 4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid
    35695 RJ4 2 C11 H13 N3 O2 InChI=1S/C11H13N3O2/c15-6
    -14-3-7-1-9-10-8(12-5-13-
    10)2-11(7,4-14)16-9/h5-7,
    9H,1-4H2,(H,12,13)/t7-,9-
    ,11+/m1/s1;
    XRNLVBAEYBLIIG-ZOFUNIGCSA-N    		 O=CN1C[C@H]2C[C@H]3O[C@]2(C1)Cc4[nH]cnc3
    4; c1[nH]c2c(n1)[C@H]3C[C@@H]4CN(C[C@]4(
    C2)O3)C=O; c1[nH]c2c(n1)C3CC4CN(CC4(C2)O
    3)C=O; O=CN1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]
    cnc34    		 (4aR,7aR,9R)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carbaldehyde
    35696 RJ5
    CHEMBL5075137    		 1 C12 H12 N2 O InChI=1S/C12H12N2O/c1-15-
    11-4-2-9(3-5-11)10-6-7-14
    -12(13)8-10/h2-8H,1H3,(H2
    ,13,14);
    PGBMTNNEAWCSJZ-UHFFFAOYSA-N    		 COc1ccc(cc1)c2ccnc(c2)N; COc1ccc(cc1)c2c
    cnc(N)c2    		 4-(4-methoxyphenyl)pyridin-2-amine
    35697 RJ6
    CHEMBL1235693
    DB08479
    ZINC000015924296    		 2 C10 H15 N5 O2 InChI=1S/C10H15N5O2/c1-16
    -7-3-6(4-8(5-7)17-2)14-10
    (13)15-9(11)12/h3-5H,1-2H
    3,(H6,11,12,13,14,15);
    VQKIGKHIRBCYNE-UHFFFAOYSA-N    		 [H]/N=C(\N)/N/C(=N/[H])/Nc1cc(cc(c1)OC)O
    C; COc1cc(NC(=N)NC(N)=N)cc(OC)c1; O(c1cc
    (cc(OC)c1)NC(=[N@H])NC(=[N@H])N)C; [H]N=
    C(N)NC(=N[H])Nc1cc(cc(c1)OC)OC    		 N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide;
    {[(3,5-dimethoxyanilino)(imino)methyl]amino}methanimidamide
    35698 RJ7 2 C10 H12 F N O3 InChI=1S/C10H12FNO3/c1-2-
    15-10(14)8(11)9(13)7-4-3-
    5-12-6-7/h3-6,8-9,13H,2H2
    ,1H3/t8-,9-/m0/s1;
    WQTYAHVCEJEKSU-IUCAKERBSA-N    		 CCOC(=O)C(C(c1cccnc1)O)F; CCOC(=O)[C@@H]
    (F)[C@@H](O)c1cccnc1; CCOC(=O)[CH](F)[CH
    ](O)c1cccnc1; c1(cnccc1)C(C(C(OCC)=O)F)O
    ; CCOC(=O)[C@H]([C@H](c1cccnc1)O)F    		 ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate
    35699 RJ8
    CHEMBL5083053    		 1 C13 H10 N2 O InChI=1S/C13H10N2O/c14-13
    -8-10(3-5-15-13)9-1-2-12-
    11(7-9)4-6-16-12/h1-8H,(H
    2,14,15);
    AESBNYUOPVLZJY-UHFFFAOYSA-N    		 Nc1cc(ccn1)c2ccc3occc3c2; c1cc2c(cco2)cc
    1c3ccnc(c3)N    		 4-(1-benzofuran-5-yl)pyridin-2-amine
    35700 RJ9 1 C17 H17 F N4 O2 InChI=1S/C17H17FN4O2/c18-
    9-5-6-10-13(7-9)22-16-14(
    10)15(19-8-20-16)21-12-4-
    2-1-3-11(12)17(23)24/h5-8
    ,11-12H,1-4H2,(H,23,24)(H
    2,19,20,21,22)/t11-,12+/m
    0/s1;
    VLGDVQRYEOXYDY-NWDGAFQWSA-N    		 O=C(O)C1CCCCC1Nc1ncnc2[NH]c3cc(F)ccc3c12
    ; c1cc2c(cc1F)[nH]c3c2c(ncn3)NC4CCCCC4C(
    =O)O; OC(=O)[CH]1CCCC[CH]1Nc2ncnc3[nH]c4
    cc(F)ccc4c23; OC(=O)[C@H]1CCCC[C@H]1Nc2n
    cnc3[nH]c4cc(F)ccc4c23; c1cc2c(cc1F)[nH]
    c3c2c(ncn3)N[C@@H]4CCCC[C@@H]4C(=O)O    		 (1S,2R)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid
    35701 RJA
    ZINC000095920529    		 2 C28 H44 O6 InChI=1S/C28H44O6/c1-6-9-
    26-22(5)25(31)18-27(34-26
    )24(30)12-7-10-19(2)16-21
    (4)17-20(3)14-15-23(29)11
    -8-13-28(32)33/h6-7,9-10,
    12,14-15,17,21-27,29-31H,
    8,11,13,16,18H2,1-5H3,(H,
    32,33)/b9-6+,12-7+,15-14+
    ,19-10+,20-17-/t21-,22+,2
    3-,24-,25-,26+,27-/m1/s1;
    SSWVBXXPYARFKL-PUAIALDQSA-N    		 O=C(O)CCCC(O)/C=C/C(=C\C(C)CC(=C\C=C\C(O
    )C1OC(/C=C/C)C(C(O)C1)C)\C)C; CC=CC1C(C(
    CC(O1)C(C=CC=C(C)CC(C)C=C(C)C=CC(CCCC(=O
    )O)O)O)O)C; C/C=C/[C@H]1[C@H]([C@@H](C[C
    @@H](O1)[C@@H](/C=C/C=C(\C)/C[C@@H](C)/C
    =C(/C)\C=C\[C@@H](CCCC(=O)O)O)O)O)C; CC=
    C[CH]1O[CH](C[CH](O)[CH]1C)[CH](O)C=CC=C
    (C)C[CH](C)C=C(C)C=C[CH](O)CCCC(O)=O; C\
    C=C\[C@@H]1O[C@H](C[C@@H](O)[C@@H]1C)[C@
    H](O)/C=C/C=C(C)/C[C@@H](C)/C=C(C)\C=C\[
    C@H](O)CCCC(O)=O    		 Ratjadone A, bound form
    35702 RJB
    CHEMBL4776002    		 1 C20 H18 N2 O3 S InChI=1S/C20H18N2O3S/c23-
    18(24)11-20(9-13-5-1-2-6-
    14(13)10-20)19(25)21-12-1
    7-22-15-7-3-4-8-16(15)26-
    17/h1-8H,9-12H2,(H,21,25)
    (H,23,24);
    OYMIHDNBNWVHIU-UHFFFAOYSA-N    		 OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc3sc4ccccc4
    n3; c1ccc2c(c1)CC(C2)(CC(=O)O)C(=O)NCc3n
    c4ccccc4s3    		 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid
    35703 RJD 1 C15 H26 N4 O2 InChI=1S/C15H26N4O2/c1-10
    -7-17-15(2,13(20)18-12-5-
    6-12)9-19(10)14(21)16-8-1
    1-3-4-11/h10-12,17H,3-9H2
    ,1-2H3,(H,16,21)(H,18,20)
    /t10-,15-/m0/s1;
    SXNUQDJHCXDWNX-BONVTDFDSA-N    		 C[CH]1CN[C](C)(CN1C(=O)NCC2CC2)C(=O)NC3C
    C3; CC1CNC(CN1C(=O)NCC2CC2)(C)C(=O)NC3CC
    3; C[C@H]1CN[C@](CN1C(=O)NCC2CC2)(C)C(=O
    )NC3CC3; C[C@H]1CN[C@@](C)(CN1C(=O)NCC2C
    C2)C(=O)NC3CC3; C1(CC1)NC(C3(CN(C(NCC2CC
    2)=O)C(C)CN3)C)=O    		 (3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide
    35704 RJE
    CHEMBL4763327
    ZINC000584905652    		 3 C16 H19 N5 O3 InChI=1S/C16H19N5O3/c1-17
    -13-12-14(20-15(19-13)24-
    9-8-23-2)21(16(22)18-12)1
    0-11-6-4-3-5-7-11/h3-7H,8
    -10H2,1-2H3,(H,18,22)(H,1
    7,19,20);
    OSILWVXKFRDCIL-UHFFFAOYSA-N    		 CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3;
    CNc1nc(OCCOC)nc2N(Cc3ccccc3)C(=O)Nc12    		 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one
    35705 RJF 2 C23 H21 Cl N4 O3 InChI=1S/C23H21ClN4O3/c1-
    13-4-3-5-14-9-26-10-19(21
    (13)14)27-22(30)18-11-28(
    12-20(29)25-2)23(31)16-7-
    6-15(24)8-17(16)18/h3-10,
    18H,11-12H2,1-2H3,(H,25,2
    9)(H,27,30)/t18-/m1/s1;
    SCCMCXOVZPXNKG-GOSISDBHSA-N    		 Cc1cccc2cncc(NC(=O)C3CN(CC(=O)NC)C(=O)c4
    ccc(Cl)cc43)c12; Cc1cccc2c1c(cnc2)NC(=O)
    C3CN(C(=O)c4c3cc(cc4)Cl)CC(=O)NC; CNC(=O
    )CN1C[C@@H](C(=O)Nc2cncc3cccc(C)c23)c4cc
    (Cl)ccc4C1=O; Cc1cccc2c1c(cnc2)NC(=O)[C@
    @H]3CN(C(=O)c4c3cc(cc4)Cl)CC(=O)NC; CNC(
    =O)CN1C[CH](C(=O)Nc2cncc3cccc(C)c23)c4cc
    (Cl)ccc4C1=O    		 (4S)-6-chloro-2-[2-(methylamino)-2-oxoethyl]-N-(5-methylisoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35706 RJG 1 C16 H18 N2 O InChI=1S/C16H18N2O/c19-15
    -6-13-12-4-2-1-3-10(12)8-
    18-14(13)5-11-7-17-9-16(1
    1,15)18/h1-4,11,13-14,17H
    ,5-9H2/t11-,13-,14-,16+/m
    1/s1;
    JTERCRHEKKZOFH-MEWXFMAXSA-N    		 O=C1C[C@H]2[C@H]3C[C@@H]4CNC[C@@]14[N@]3
    Cc5ccccc25; N13C5CC2CNCC12C(CC5c4c(C3)cc
    cc4)=O; c1ccc2c(c1)CN3C4C2CC(=O)C35CNCC5
    C4; O=C1C[CH]2[CH]3C[CH]4CNC[C]14[N]3Cc5
    ccccc25; c1ccc2c(c1)C[N@]3[C@H]4[C@@H]2C
    C(=O)[C@@]35CNC[C@H]5C4    		 (3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one
    35707 RJH 1 C21 H25 Cl N6 O4 InChI=1S/C21H25ClN6O4/c1-
    13-8-19-23-10-17(25-21(29
    )24-14-4-5-18(31-3)16(22)
    9-14)20(28(19)26-13)27-6-
    7-32-12-15(27)11-30-2/h4-
    5,8-10,15H,6-7,11-12H2,1-
    3H3,(H2,24,25,29)/t15-/m0
    /s1;
    IUORVTKNCDNHNC-HNNXBMFYSA-N    		 Cc1cc2ncc(c(n2n1)N3CCOC[C@@H]3COC)NC(=O)
    Nc4ccc(c(c4)Cl)OC; COC[C@H]1COCCN1c2n3nc
    (C)cc3ncc2NC(=O)Nc4ccc(OC)c(Cl)c4; COC[C
    H]1COCCN1c2n3nc(C)cc3ncc2NC(=O)Nc4ccc(OC
    )c(Cl)c4; Cc1cc2ncc(c(n2n1)N3CCOCC3COC)N
    C(=O)Nc4ccc(c(c4)Cl)OC    		 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea
    35708 RJI
    ZINC000584905653    		 1 C11 H9 N3 O4 InChI=1S/C11H9N3O4/c12-8(
    15)7-9(16)13-11(18)14(10(
    7)17)6-4-2-1-3-5-6/h1-5,7
    H,(H2,12,15)(H,13,16,18)/
    t7-/m0/s1;
    QCWWLBLYOGYJRV-ZETCQYMHSA-N    		 c1ccc(cc1)N2C(=O)C(C(=O)NC2=O)C(=O)N; NC
    (=O)[CH]1C(=O)NC(=O)N(C1=O)c2ccccc2; c1c
    cc(cc1)N2C(=O)[C@H](C(=O)NC2=O)C(=O)N; N
    C(=O)[C@H]1C(=O)NC(=O)N(C1=O)c2ccccc2    		 2,4,6-TRIOXO-1-PHENYL-HEXAHYDROPYRIMIDINE-5-CARBOXAMIDE
    35709 RJJ 1 C16 H25 N3 O InChI=1S/C16H25N3O/c1-3-1
    6(9-11-19(2)12-10-18-16)1
    5(20)17-13-14-7-5-4-6-8-1
    4/h4-8,18H,3,9-13H2,1-2H3
    ,(H,17,20)/t16-/m1/s1;
    HCTANGJAFMIUKA-MRXNPFEDSA-N    		 CCC1(CCN(CCN1)C)C(=O)NCc2ccccc2; CC[C]1(
    CCN(C)CCN1)C(=O)NCc2ccccc2; c1cc(ccc1)CN
    C(C2(CC)CCN(C)CCN2)=O; CC[C@@]1(CCN(C)CC
    N1)C(=O)NCc2ccccc2; CC[C@@]1(CCN(CCN1)C)
    C(=O)NCc2ccccc2    		 (5R)-N-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide
    35710 RJK 2 C20 H19 Br Cl N5 O2 InChI=1S/C20H19BrClN5O2/c
    21-14-1-4-19-13(5-14)6-16
    (11-29-19)26-20(28)25-15-
    2-3-18(17(22)7-15)27-10-1
    2(8-23)9-24-27/h1-5,7,9-1
    0,16H,6,8,11,23H2,(H2,25,
    26,28)/t16-/m1/s1;
    DHIWXRKMNHPISE-MRXNPFEDSA-N    		 c1cc(c(cc1NC(=O)NC2Cc3cc(ccc3OC2)Br)Cl)n
    4cc(cn4)CN; c1cc(c(cc1NC(=O)N[C@@H]2Cc3c
    c(ccc3OC2)Br)Cl)n4cc(cn4)CN; NCc1cnn(c1)
    c2ccc(NC(=O)N[CH]3COc4ccc(Br)cc4C3)cc2Cl
    ; NCc1cnn(c1)c2ccc(NC(=O)N[C@H]3COc4ccc(
    Br)cc4C3)cc2Cl    		 1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea
    35711 RJL 1 C15 H16 N4 O4 InChI=1S/C15H16N4O4/c1-23
    -11-7-10(8-16-9-11)14(21)
    18-5-6-19-15(22)13-12(20)
    3-2-4-17-13/h2-4,7-9,20H,
    5-6H2,1H3,(H,18,21)(H,19,
    22);
    YVVRFBXSKUTJJG-UHFFFAOYSA-N    		 COc1cc(cnc1)C(=O)NCCNC(=O)c2c(cccn2)O; C
    Oc1cncc(c1)C(=O)NCCNC(=O)c2ncccc2O; Oc1c
    ccnc1C(=O)NCCNC(=O)c1cc(OC)cnc1    		 3-hydroxy-N-{2-[(5-methoxypyridine-3-carbonyl)amino]ethyl}pyridine-2-carboxamide
    35712 RJM 1 C19 H19 N O3 InChI=1S/C19H19NO3/c1-19(
    2)15(16(19)18(22)23)17(21
    )20-14-11-7-6-10-13(14)12
    -8-4-3-5-9-12/h3-11,15-16
    H,1-2H3,(H,20,21)(H,22,23
    )/t15-,16+/m0/s1;
    WZVGLQFDUFVSTL-JKSUJKDBSA-N    		 O=C(Nc1ccccc1c1ccccc1)C1C(C(O)=O)C1(C)C;
    CC1(C(C1C(=O)O)C(=O)Nc2ccccc2c3ccccc3)C
    ; CC1([C@@H]([C@@H]1C(=O)O)C(=O)Nc2ccccc
    2c3ccccc3)C; CC1(C)[CH]([CH]1C(=O)Nc2ccc
    cc2c3ccccc3)C(O)=O; CC1(C)[C@H]([C@H]1C(
    =O)Nc2ccccc2c3ccccc3)C(O)=O    		 (1S,3R)-3-[([1,1'-biphenyl]-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
    35713 RJN
    CHEMBL3828579
    ZINC000584905654    		 2 C23 H19 N3 O3 InChI=1S/C23H19N3O3/c27-2
    2-19-8-4-5-9-20(19)25-21(
    26-22)18-12-10-16(11-13-1
    8)14-24-23(28)29-15-17-6-
    2-1-3-7-17/h1-13H,14-15H2
    ,(H,24,28)(H,25,26,27);
    SAIBPCDKEKGITF-UHFFFAOYSA-N    		 c1ccc(cc1)COC(=O)NCc2ccc(cc2)C3=Nc4ccccc
    4C(=O)N3; O=C(NCc1ccc(cc1)C2=Nc3ccccc3C(
    =O)N2)OCc4ccccc4    		 BENZYL N-{[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]METHYL}CARBAMATE
    35714 RJO 2 C22 H18 Cl F N4 O3 InChI=1S/C22H18ClFN4O3/c1
    -25-20(29)11-28-10-18(17-
    6-13(23)3-5-15(17)22(28)3
    1)21(30)27-19-9-26-8-12-2
    -4-14(24)7-16(12)19/h2-9,
    18H,10-11H2,1H3,(H,25,29)
    (H,27,30)/t18-/m1/s1;
    ZCROYMPHCXUWGH-GOSISDBHSA-N    		 CNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cn
    cc4c3cc(cc4)F; CNC(=O)CN1C[CH](C(=O)Nc2c
    ncc3ccc(F)cc23)c4cc(Cl)ccc4C1=O; CNC(=O)
    CN1C[C@@H](C(=O)Nc2cncc3ccc(F)cc23)c4cc(
    Cl)ccc4C1=O; CNC(=O)CN1C[C@H](c2cc(ccc2C
    1=O)Cl)C(=O)Nc3cncc4c3cc(cc4)F; Fc1cc2c(
    cc1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(
    Cl)cc21    		 (4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35715 RJP
    ZINC000066167003    		 48 C16 H17 N O6 InChI=1S/C16H17NO6/c18-12
    -9-16(23,15(21)22)8-10(14
    (12)20)6-7-13(19)17-11-4-
    2-1-3-5-11/h1-5,8,12,18,2
    3H,6-7,9H2,(H,17,19)(H,21
    ,22)/t12-,16+/m1/s1;
    LCRSMARNUPCDAZ-WBMJQRKESA-N    		 c1ccc(cc1)NC(=O)CCC2=CC(CC(C2=O)O)(C(=O)
    O)O; c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C
    2=O)O)(C(=O)O)O; O[C@@H]1C[C@@](O)(C=C(C
    CC(=O)Nc2ccccc2)C1=O)C(O)=O; O=C(O)C1(O)
    C=C(C(=O)C(O)C1)CCC(=O)Nc2ccccc2; O[CH]1
    C[C](O)(C=C(CCC(=O)Nc2ccccc2)C1=O)C(O)=O    		 (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid
    35716 RJQ 2 C35 H41 Cl N6 O6 InChI=1S/C35H41ClN6O6/c1-
    20(43)38-26(19-22-5-2-3-6
    -25(22)36)31(45)40-17-4-1
    5-35(40)16-13-24-10-12-28
    (42(24)34(35)48)32(46)39-
    18-14-21-7-8-23-9-11-27(3
    0(37)44)41(23)33(47)29(21
    )39/h2-3,5-8,13,16,21,23-
    24,26-29H,4,9-12,14-15,17
    -19H2,1H3,(H2,37,44)(H,38
    ,43)/t21-,23-,24-,26-,27-
    ,28-,29-,35+/m0/s1;
    ITMFJTSTZSWDEK-QHVDBZGRSA-N    		 CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]
    23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@@
    H]6C=C[C@H]7CC[C@H](N7C(=O)[C@@H]56)C(N)
    =O; CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C
    ]23C=C[CH]4CC[CH](N4C3=O)C(=O)N5CC[CH]6C
    =C[CH]7CC[CH](N7C(=O)[CH]56)C(N)=O; CC(=
    O)NC(Cc1ccccc1Cl)C(=O)N2CCCC23C=CC4CCC(N
    4C3=O)C(=O)N5CCC6C5C(=O)N7C(CCC7C(=O)N)C
    =C6; CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC
    C[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5C
    C[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)N
    )C=C6    		 (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide
    35717 RJR 2 C23 H37 N3 O5 InChI=1S/C23H37N3O5/c27-1
    9-7-20(28)22(30)21(29)18(
    19)12-26-11-17(24-25-26)2
    -1-3-31-13-23-8-14-4-15(9
    -23)6-16(5-14)10-23/h11,1
    4-16,18-22,27-30H,1-10,12
    -13H2/t14-,15+,16-,18-,19
    -,20-,21+,22+,23-/m0/s1;
    SADPKFATELTVOP-HXOWLEFZSA-N    		 c1c(nnn1CC2C(CC(C(C2O)O)O)O)CCCOCC34CC5C
    C(C3)CC(C5)C4; O[C@H]1C[C@H](O)[C@H](Cn2
    cc(CCCOCC34CC5CC(CC(C5)C3)C4)nn2)[C@@H](
    O)[C@@H]1O; O[CH]1C[CH](O)[CH](Cn2cc(CCC
    OCC34CC5CC(CC(C5)C3)C4)nn2)[CH](O)[CH]1O
    ; c1c(nnn1C[C@H]2[C@H](C[C@@H]([C@H]([C@
    @H]2O)O)O)O)CCCOCC34CC5CC(C3)CC(C5)C4    		 (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
    35718 RJS 1 C15 H11 Br F N3 O3 S InChI=1S/C15H11BrFN3O3S/c
    16-12-5-4-10(7-13(12)17)9
    -24(22,23)19-15(21)11-8-1
    8-20-6-2-1-3-14(11)20/h1-
    8H,9H2,(H,19,21);
    LSGXMSZZZZALLZ-UHFFFAOYSA-N    		 c1ccn2c(c1)c(cn2)C(=O)NS(=O)(=O)Cc3ccc(c
    (c3)F)Br; Brc1ccc(cc1F)CS(=O)(=O)NC(=O)c
    1cnn2ccccc12; Fc1cc(C[S](=O)(=O)NC(=O)c2
    cnn3ccccc23)ccc1Br    		 (8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
    35719 RJU 1 C8 H16 Mn Mo6 N2 O24 InChI=1S/2C4H8NO3.Mn.6Mo.
    18O/c2*5-4(1-6,2-7)3-8;;;
    ;;;;;;;;;;;;;;;;;;;;;;/h2
    *1-3,5H2;;;;;;;;;;;;;;;;;
    ;;;;;;;;/q2*+6;;;;;;;;;;;
    ;;;12*-1;
    PCXYAXRCDFMDHK-UHFFFAOYSA-N    		 NC12C[O++]34[Mn]5678[O++]9(C1)[Mo]%10%11
    ([O-])([O-])O[Mo]3%12([O-])([O-])O[Mo]4%
    13([O-])([O-])O[Mo]%14%15([O-])([O-])O[M
    o]%16([O-])([O-])(O[Mo]9([O-])([O-])(O%1
    0)[O++]5%16CC(N)(C[O++]6%11%12)C[O++]7%1
    3%14)[O++]8%15C2; C1C2(C[O+2]34[Mn]5678[
    O+2]19[Mo]1%10([O+2]55[Mo]3(O1)(O[Mo]41(
    [O+2]63CC(C5)(C[O+2]74[Mo]9(O%10)(O[Mo]4
    4([O+2]8(C2)[Mo]3(O4)(O1)([O-])[O-])([O-
    ])[O-])([O-])[O-])N)([O-])[O-])([O-])[O-
    ])([O-])[O-])N    		 Mn-Mo(6)-N(2)-O(24)-C(8) cluster;
    amine-functionalised Anderson-Evans polyoxometalate
    35720 RJW
    CHEMBL1765959
    ZINC000071318097    		 2 C28 H34 O InChI=1S/C28H34O/c1-3-4-5
    -8-17-24-20-25-26(29)18-1
    9-28(25,21(2)22-13-9-6-10
    -14-22)27(24)23-15-11-7-1
    2-16-23/h6-7,9-16,25-26,2
    9H,2-5,8,17-20H2,1H3/t25-
    ,26+,28-/m0/s1;
    ZFXMYHPLTQTTFW-REUBFRLUSA-N    		 OC1CCC2(C1CC(CCCCCC)=C2c3ccccc3)/C(c4ccc
    cc4)=C; CCCCCCC1=C(c2ccccc2)[C]3(CC[CH](
    O)[CH]3C1)C(=C)c4ccccc4; CCCCCCC1=C(c2cc
    ccc2)[C@@]3(CC[C@@H](O)[C@@H]3C1)C(=C)c4
    ccccc4; CCCCCCC1=C(C2(CCC(C2C1)O)C(=C)c3
    ccccc3)c4ccccc4; CCCCCCC1=C([C@@]2(CC[C@
    H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4    		 (1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
    35721 RJX 2 C18 H13 Cl N2 O3 InChI=1S/C18H13ClN2O3/c19
    -14-3-1-2-11(6-14)7-17(22
    )21-16-10-20-9-13-5-4-12(
    18(23)24)8-15(13)16/h1-6,
    8-10H,7H2,(H,21,22)(H,23,
    24);
    UKFWXTVAPKPVEE-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cc(cc3)C(=
    O)O; OC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c
    3)c2c1; Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc
    21)C(=O)O    		 4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxylic acid
    35722 RJY
    ZINC000000120878    		 2 C7 H9 N O2 S InChI=1S/C7H9NO2S/c1-3-10
    -7(9)6-4-11-5(2)8-6/h4H,3
    H2,1-2H3;
    QWWPUBQHZFHZSF-UHFFFAOYSA-N    		 CCOC(=O)c1csc(n1)C; Cc1scc(C(=O)OCC)n1;
    CCOC(=O)c1csc(C)n1    		 ethyl 2-methyl-1,3-thiazole-4-carboxylate
    35723 RJZ
    CHEMBL5089171    		 2 C19 H18 Br N7 O InChI=1S/C19H18BrN7O/c1-1
    1-23-14-6-5-13(12-9-16(21
    )26-17(22)10-12)24-19(14)
    27(11)7-8-28-18-4-2-3-15(
    20)25-18/h2-6,9-10H,7-8H2
    ,1H3,(H4,21,22,26);
    IOUKAQLHORTKRT-UHFFFAOYSA-N    		 Cc1nc2ccc(nc2n1CCOc3cccc(n3)Br)c4cc(nc(c
    4)N)N; Cc1nc2ccc(nc2n1CCOc3cccc(Br)n3)c4
    cc(N)nc(N)c4    		 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
    35724 RK0 1 C14 H14 N4 O3 S2 InChI=1S/C14H14N4O3S2/c1-
    8-4-5-12(6-11(8)7-15)18-2
    3(20,21)13-9(2)16-14(22-1
    3)17-10(3)19/h4-6,18H,1-3
    H3,(H,16,17,19);
    BORZWBYDXGSJEW-UHFFFAOYSA-N    		 Cc1ccc(cc1C#N)NS(=O)(=O)c2c(nc(s2)NC(=O)
    C)C; Cc1nc(NC(=O)C)sc1S(=O)(=O)Nc1cc(C#N
    )c(C)cc1; CC(=O)Nc1sc(c(C)n1)[S](=O)(=O)
    Nc2ccc(C)c(c2)C#N    		 N-{5-[(3-cyano-4-methylphenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}acetamide
    35725 RK1 1 C17 H25 N3 O InChI=1S/C17H25N3O/c1-3-1
    7(10-11-18-12-13-20(17)4-
    2)16(21)19-14-15-8-6-5-7-
    9-15/h5-9,11H,3-4,10,12-1
    4H2,1-2H3,(H,19,21)/t17-/
    m1/s1;
    ZQBDTUTZFRWAGO-QGZVFWFLSA-N    		 C(C1(CC=NCCN1CC)C(=O)NCc2ccccc2)C; CCN1C
    CN=CC[C]1(CC)C(=O)NCc2ccccc2; CCC1(CC=NC
    CN1CC)C(=O)NCc2ccccc2; CC[C@@]1(CC=NCCN1
    CC)C(=O)NCc2ccccc2; CCN1CCN=CC[C@]1(CC)C
    (=O)NCc2ccccc2    		 (7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide
    35726 RK2
    CHEMBL5092833    		 2 C20 H21 N7 O InChI=1S/C20H21N7O/c1-12(
    28-19-5-3-4-8-23-19)11-27
    -13(2)24-16-7-6-15(25-20(
    16)27)14-9-17(21)26-18(22
    )10-14/h3-10,12H,11H2,1-2
    H3,(H4,21,22,26)/t12-/m1/
    s1;
    CCUMIOKJQCVBML-GFCCVEGCSA-N    		 Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccn3)c4cc(
    nc(c4)N)N; Cc1nc2ccc(nc2n1CC(C)Oc3ccccn3
    )c4cc(nc(c4)N)N; C[CH](Cn1c(C)nc2ccc(nc1
    2)c3cc(N)nc(N)c3)Oc4ccccn4; C[C@H](Cn1c(
    C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccn4    		 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
    35727 RK3 12 C17 H21 N5 O13 P2 InChI=1S/C17H21N5O13P2/c2
    3-10-7-3-30-36(26,27)35-3
    7(28,29)31-4-8-13(34-17(3
    3-7)11(10)24)12(25)16(32-
    8)22-6-19-9-14-18-1-2-21(
    14)5-20-15(9)22/h1-2,5-8,
    10-13,16-17,23-25H,3-4H2,
    (H,26,27)(H,28,29)/t7-,8-
    ,10-,11-,12-,13-,16-,17+/
    m1/s1;
    LFJBQYHLOPJAJZ-DLFWLGJNSA-N    		 c1cn2cnc3c(c2n1)ncn3C4C(C5C(O4)COP(=O)(O
    P(=O)(OCC6C(C(C(O6)O5)O)O)O)O)O; O[CH]1[
    CH](O)[CH]2O[CH]1CO[P](O)(=O)O[P](O)(=O)
    OC[CH]3O[CH]([CH](O)[CH]3O2)n4cnc5c6nccn
    6cnc45; c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H]
    ([C@H]5[C@H](O4)COP(=O)(OP(=O)(OC[C@@H]6
    [C@H]([C@H]([C@@H](O6)O5)O)O)O)O)O; O[C@
    H]1[C@@H](O)[C@H]2O[C@@H]1CO[P](O)(=O)O[
    P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O
    2)n4cnc5c6nccn6cnc45    		 (1S,3S,4R,5R,7R,15R,16S,17R)-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol;
    1''-3'gc(etheno)ADPR
    35728 RK4
    CHEMBL1496013
    ZINC000003953890    		 2 C13 H17 N O2 InChI=1S/C13H17NO2/c15-13
    (16)12-6-4-5-11(9-12)10-1
    4-7-2-1-3-8-14/h4-6,9H,1-
    3,7-8,10H2,(H,15,16);
    UIXWGRXBYZGOQK-UHFFFAOYSA-N    		 OC(=O)c1cccc(CN2CCCCC2)c1; c1cc(cc(c1)C(
    =O)O)CN2CCCCC2; C1CCN(CC1)Cc2cccc(C(=O)O
    )c2    		 3-[(piperidin-1-yl)methyl]benzoic acid
    35729 RK5
    CHEMBL5073869    		 2 C15 H15 N3 O InChI=1S/C15H15N3O/c1-8-9
    (2)19-13-4-3-10(5-12(8)13
    )11-6-14(16)18-15(17)7-11
    /h3-7H,1-2H3,(H4,16,17,18
    );
    PZRAWCBVDRNTDQ-UHFFFAOYSA-N    		 Cc1c(oc2c1cc(cc2)c3cc(nc(c3)N)N)C; Cc1oc
    2ccc(cc2c1C)c3cc(N)nc(N)c3    		 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
    35730 RK6 2 C19 H16 Cl N3 O2 InChI=1S/C19H16ClN3O2/c1-
    21-19(25)13-5-6-16-14(9-1
    3)10-22-11-17(16)23-18(24
    )8-12-3-2-4-15(20)7-12/h2
    -7,9-11H,8H2,1H3,(H,21,25
    )(H,23,24);
    YTZPJQXEGVHVLU-UHFFFAOYSA-N    		 CNC(=O)c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)
    Cl; CNC(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)c
    ncc2c1; Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc
    21)C(=O)NC    		 4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-7-carboxamide
    35731 RK7 1 C10 H11 Br F N O3 InChI=1S/C10H11BrFNO3/c1-
    2-16-10(15)8(12)9(14)7-4-
    3-6(11)5-13-7/h3-5,8-9,14
    H,2H2,1H3/t8-,9+/m1/s1;
    JAJULJUIZXJSOC-BDAKNGLRSA-N    		 CCOC(=O)[C@H](F)[C@@H](O)c1ccc(Br)cn1; C
    COC(=O)C(C(c1ccc(cn1)Br)O)F; CCOC(=O)[C@
    @H]([C@H](c1ccc(cn1)Br)O)F; CCOC(=O)[CH]
    (F)[CH](O)c1ccc(Br)cn1; C(O)(C(C(OCC)=O)
    F)c1ccc(cn1)Br    		 ethyl (2R,3S)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate
    35732 RK8 3 C20 H20 Br N7 O InChI=1S/C20H20BrN7O/c1-1
    1(29-19-5-3-4-16(21)26-19
    )10-28-12(2)24-15-7-6-14(
    25-20(15)28)13-8-17(22)27
    -18(23)9-13/h3-9,11H,10H2
    ,1-2H3,(H4,22,23,27)/t11-
    /m0/s1;
    POSGRZQCKOTBHE-NSHDSACASA-N    		 Cc1nc2ccc(nc2n1C[C@H](C)Oc3cccc(n3)Br)c4
    cc(nc(c4)N)N; C[C@@H](Cn1c(C)nc2ccc(nc12
    )c3cc(N)nc(N)c3)Oc4cccc(Br)n4; Cc1nc2ccc
    (nc2n1CC(C)Oc3cccc(n3)Br)c4cc(nc(c4)N)N;
    C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3
    )Oc4cccc(Br)n4    		 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
    35733 RK9 1 C14 H14 N4 O3 S2 InChI=1S/C14H14N4O3S2/c1-
    3-12(19)17-14-16-9(2)13(2
    2-14)23(20,21)18-11-6-4-5
    -10(7-11)8-15/h4-7,18H,3H
    2,1-2H3,(H,16,17,19);
    AUZRVQWOOJLPJO-UHFFFAOYSA-N    		 Cc1nc(NC(=O)CC)sc1S(=O)(=O)Nc1cc(C#N)ccc
    1; CCC(=O)Nc1sc(c(C)n1)[S](=O)(=O)Nc2ccc
    c(c2)C#N; CCC(=O)Nc1nc(c(s1)S(=O)(=O)Nc2
    cccc(c2)C#N)C    		 N-{5-[(3-cyanophenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}propanamide
    35734 RKA
    CHEMBL1235694
    ZINC000035307806    		 0 C30 H25 N5 InChI=1S/C30H25N5/c31-29(
    23-7-3-1-4-8-23)33-25-15-
    11-21(12-16-25)27-19-20-2
    8(35-27)22-13-17-26(18-14
    -22)34-30(32)24-9-5-2-6-1
    0-24/h1-20,35H,(H2,31,33)
    (H2,32,34);
    AXUZUHYCWFMCLV-UHFFFAOYSA-N    		 [H]N=C(c1ccccc1)Nc2ccc(cc2)c3ccc([nH]3)c
    4ccc(cc4)NC(=N[H])c5ccccc5; [H]/N=C(/c1c
    cccc1)\Nc2ccc(cc2)c3ccc([nH]3)c4ccc(cc4)
    N/C(=N/[H])/c5ccccc5; [N@H]=C(c1ccccc1)N
    c5ccc(c4ccc(c3ccc(NC(=[N@H])c2ccccc2)cc3
    )n4)cc5; N=C(Nc1ccc(cc1)c2[nH]c(cc2)c3cc
    c(NC(=N)c4ccccc4)cc3)c5ccccc5    		 N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE
    35735 RKC 2 C21 H17 Cl N2 O2 InChI=1S/C21H17ClN2O2/c22
    -15-5-6-19-17(11-15)21(8-
    10-26-19)7-9-24(20(21)25)
    18-13-23-12-14-3-1-2-4-16
    (14)18/h1-6,11-13H,7-10H2
    /t21-/m1/s1;
    ZNASZZIYVWAOJK-OAQYLSRUSA-N    		 c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc
    5)Cl; c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CC
    Oc5c4cc(cc5)Cl; Clc1ccc2OCC[C]3(CCN(C3=O
    )c4cncc5ccccc45)c2c1; Clc1ccc2OCC[C@]3(C
    CN(C3=O)c4cncc5ccccc45)c2c1; Clc1ccc2OCC
    C3(CCN(C3=O)c3cncc4ccccc43)c2c1    		 (3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidin]-2'-one
    35736 RKD 3 C17 H17 Cl N3 O InChI=1S/C17H16ClN3O/c18-
    16-7-5-15(6-8-16)17(22,11
    -19)14-3-1-12(2-4-14)13-9
    -20-21-10-13/h1-10,22H,11
    ,19H2,(H,20,21)/p+1/t17-/
    m0/s1;
    IIRWNGPLJQXWFJ-KRWDZBQOSA-O    		 [NH3+]C[C](O)(c1ccc(Cl)cc1)c2ccc(cc2)c3c
    [nH]nc3; c1cc(ccc1c2c[nH]nc2)C(C[NH3+])(
    c3ccc(cc3)Cl)O; c1cc(ccc1c2c[nH]nc2)[C@@
    ](C[NH3+])(c3ccc(cc3)Cl)O; Clc1ccc(cc1)C
    (O)(c3ccc(c2cnnc2)cc3)C[NH3+]; [NH3+]C[C
    @@](O)(c1ccc(Cl)cc1)c2ccc(cc2)c3c[nH]nc3    		 (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium;
    (1S)-2-AMINO-1-(4-CHLOROPHENYL)-1-(4-(1H-PYRAZOL-4-YL)PHENYL)ETHAN-1-OL
    35737 RKE
    CHEMBL467505
    ZINC000036294079    		 10 C13 H16 Cl N O InChI=1S/C13H16ClNO/c1-15
    -13(9-5-4-8-12(13)16)10-6
    -2-3-7-11(10)14/h2-3,6-7,
    15H,4-5,8-9H2,1H3/t13-/m1
    /s1;
    YQEZLKZALYSWHR-CYBMUJFWSA-N    		 CNC1(CCCCC1=O)c2ccccc2Cl; CN[C]1(CCCCC1=
    O)c2ccccc2Cl; Clc1c(cccc1)C2(NC)C(=O)CCC
    C2; CN[C@]1(CCCCC1=O)c2ccccc2Cl    		 (R)-ketamine;
    (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone
    35738 RKF 0 C38 H20 F2 N12 Ru InChI=1S/C18H8F2N4.2C10H6
    N4.Ru/c19-11-7-13-14(8-12
    (11)20)24-18-10-4-2-6-22-
    16(10)15-9(17(18)23-13)3-
    1-5-21-15;2*1-2-8-10(14-6
    -4-12-8)9-7(1)11-3-5-13-9
    ;/h1-8H;2*1-6H;/q;;;+2;
    DYCZIOAIFCZYGH-UHFFFAOYSA-N    		 c1cc2c3c4c1N=CC=[N]4[Ru+2]56([N]3=CC=N2)
    ([N]7=C8C(=CC=C7)c9c(nc1cc(c(cc1n9)F)F)C
    1=CC=C[N]5=C18)[N]1=CC=Nc2c1c1c(cc2)N=CC
    =[N]61    		 (11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)
    35739 RKG 1 C12 H15 N3 O3 InChI=1S/C12H15N3O3/c1-17
    -11(16)15-4-7-2-9-10-8(13
    -6-14-10)3-12(7,5-15)18-9
    /h6-7,9H,2-5H2,1H3,(H,13,
    14)/t7-,9-,12+/m0/s1;
    FQKSXZLOQOIXHN-QOSJWCAFSA-N    		 COC(=O)N1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]cnc
    34; COC(=O)N1CC2CC3c4c([nH]cn4)CC2(C1)O3
    ; C3C21C(CN(C(OC)=O)C1)CC(O2)c4c3ncn4; C
    OC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]
    2(C1)O3; COC(=O)N1C[C@@H]2C[C@@H]3O[C@@]
    2(C1)Cc4[nH]cnc34    		 methyl (4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carboxylate
    35740 RKH
    CHEMBL5094822    		 2 C14 H13 N3 O InChI=1S/C14H13N3O/c1-8-4
    -11-5-9(2-3-12(11)18-8)10
    -6-13(15)17-14(16)7-10/h2
    -7H,1H3,(H4,15,16,17);
    BMBIGEJCNXQYPN-UHFFFAOYSA-N    		 Cc1cc2cc(ccc2o1)c3cc(nc(c3)N)N; Cc1oc2cc
    c(cc2c1)c3cc(N)nc(N)c3    		 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
    35741 RKI 1 C16 H13 N3 O3 S InChI=1S/C16H13N3O3S/c20-
    13(21)7-10-2-1-3-11(6-10)
    8-17-16(22)14-15-12(4-5-2
    3-15)18-9-19-14/h1-6,9H,7
    -8H2,(H,17,22)(H,20,21);
    VCJDDYFVULHGFW-UHFFFAOYSA-N    		 O=C(O)Cc1cccc(c1)CNC(=O)c1ncnc2ccsc12; c
    1cc(cc(c1)CNC(=O)c2c3c(ccs3)ncn2)CC(=O)O
    ; OC(=O)Cc1cccc(CNC(=O)c2ncnc3ccsc23)c1    		 (3-{[(thieno[3,2-d]pyrimidine-4-carbonyl)amino]methyl}phenyl)acetic acid
    35742 RKJ 2 C14 H21 N3 O2 InChI=1S/C14H21N3O2/c1-4-
    17-6-9-5-10-12-11(8(2)15-
    19-12)13(18)14(9,7-17)16(
    10)3/h9-10,13,18H,4-7H2,1
    -3H3/t9-,10-,13+,14+/m0/s
    1;
    BZPBUUKNGNRKPU-DUBDDPSESA-N    		 CCN1C[C@@H]2C[C@H]3c4c(c(no4)C)[C@H]([C@
    ]2(C1)N3C)O; CCN1C[CH]2C[CH]3N(C)[C]2(C1
    )[CH](O)c4c(C)noc34; CCN1C[C@@H]2C[C@@H]
    3N(C)[C@@]2(C1)[C@H](O)c4c(C)noc34; CCN1
    CC2CC3c4c(c(no4)C)C(C2(C1)N3C)O; N1(C3c4
    onc(C)c4C(C12C(CN(C2)CC)C3)O)C    		 (4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
    35743 RKK
    CHEMBL5091644    		 2 C19 H26 N6 InChI=1S/C19H26N6/c1-3-5-
    7-18-22-15-9-8-14(13-11-1
    6(20)24-17(21)12-13)23-19
    (15)25(18)10-6-4-2/h8-9,1
    1-12H,3-7,10H2,1-2H3,(H4,
    20,21,24);
    IQINXSAAPBBCLN-UHFFFAOYSA-N    		 CCCCn1c(CCCC)nc2ccc(nc12)c3cc(N)nc(N)c3;
    CCCCc1nc2ccc(nc2n1CCCC)c3cc(nc(c3)N)N    		 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine;
    4-{2,3-dibutyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridine-2,6-diamine
    35744 RKL 0 C38 H22 N12 Ru InChI=1S/C18H10N4.2C10H6N
    4.Ru/c1-2-8-14-13(7-1)21-
    17-11-5-3-9-19-15(11)16-1
    2(18(17)22-14)6-4-10-20-1
    6;2*1-2-8-10(14-6-4-12-8)
    9-7(1)11-3-5-13-9;/h1-10H
    ;2*1-6H;/q;;;+2;
    PIKVAZQLFXBUSD-UHFFFAOYSA-N    		 [Ru++]|1|2|3(|n4cccc5c4c6n|1cccc6c7nc8cc
    ccc8nc57)(|n9ccnc%10ccc%11nccn|2c%11c9%1
    0)|n%12ccnc%13ccc%14nccn|3c%14c%12%13; c
    1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([
    Ru+2]578([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=
    C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C
    =CC=C36; n1c3c6c5c4c(c3nc2c1cccc2)cccn4[
    Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn%
    10c89)n%13c%14c%11c(nccn%11%12)ccc%14ncc
    %13    		 Ru(tap)2(dppz) complex
    35745 RKM 0 C39 H24 N12 Ru InChI=1S/C19H12N4.2C10H6N
    4.Ru/c1-11-6-7-14-15(10-1
    1)23-19-13-5-3-9-21-17(13
    )16-12(18(19)22-14)4-2-8-
    20-16;2*1-2-8-10(14-6-4-1
    2-8)9-7(1)11-3-5-13-9;/h2
    -10H,1H3;2*1-6H;;
    IUORKEDPZTZOCS-UHFFFAOYSA-N    		 [Ru].Cc1ccc2nc3c4cccnc4c5ncccc5c3nc2c1.c
    6cnc7c(ccc8nccnc78)n6.c9cncc(cccnccnc)n9
    ; n3c2ccc1nccnc1c2n(cc3)[Ru]9(n5c4c8c(c6
    nc7c(nc6c4ccc5)ccc(c7)C)cccn89)nccc(nccn
    )cccncc; Cc1ccc2c(c1)nc3c4c5c6c(c3n2)C=C
    C=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2
    c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=
    CC=[N]81    		 (11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium
    35746 RKN 2 C14 H15 Cl N InChI=1S/C14H14ClN/c1-16-
    10-11-7-8-13(14(15)9-11)1
    2-5-3-2-4-6-12/h2-9,16H,1
    0H2,1H3/p+1;
    MDDYEXZTZUUWBH-UHFFFAOYSA-O    		 C[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2; C[NH2+]C
    c1ccc(c(c1)Cl)c2ccccc2    		 (3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium
    35747 RKO
    ZINC000000051639    		 6 C14 H11 Cl N4 O S InChI=1S/C14H11ClN4OS/c15
    -9-5-6-12(16-7-9)19-13(20
    )8-21-14-17-10-3-1-2-4-11
    (10)18-14/h1-7H,8H2,(H,17
    ,18)(H,16,19,20);
    OOYJNUNOVRCHJZ-UHFFFAOYSA-N    		 Clc1ccc(NC(=O)CSc2[nH]c3ccccc3n2)nc1; c1
    ccc2c(c1)[nH]c(n2)SCC(=O)Nc3ccc(cn3)Cl    		 2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide
    35748 RKP 0 C42 H26 N8 Ru InChI=1S/C18H10N4.2C12H8N
    2.Ru/c1-2-8-14-13(7-1)21-
    17-11-5-3-9-19-15(11)16-1
    2(18(17)22-14)6-4-10-20-1
    6;2*1-3-9-5-6-10-4-2-8-14
    -12(10)11(9)13-7-1;/h1-10
    H;2*1-8H;;
    OYSRBLHMGIHFCB-UHFFFAOYSA-N    		 c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]
    78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC
    =[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81;
    n1c3c6c5c4c(c3nc2c1cccc2)cccn4[Ru]%10%14
    (n5ccc6)(n8c7c9c(ccc7ccc8)cccn9%10)n%12c
    ccc%11ccc%13c(c%11%12)n%14ccc%13; [Ru]|1
    |2|3(|n4cccc5ccc6cccn|1c6c45)(|n7cccc8cc
    c9cccn|2c9c78)|n%10cccc%11c%10c%12n|3ccc
    c%12c%13nc%14ccccc%14nc%11%13    		 Lambda-Ru(phen)2(dppz) complex
    35749 RKQ
    CHEMBL5088511    		 1 C20 H20 N6 O InChI=1S/C20H20N6O/c1-13-
    23-17-8-7-16(14-11-18(21)
    25-19(22)12-14)24-20(17)2
    6(13)9-10-27-15-5-3-2-4-6
    -15/h2-8,11-12H,9-10H2,1H
    3,(H4,21,22,25);
    XQMMPFLQOCIGRW-UHFFFAOYSA-N    		 Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)
    N; Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(N)nc(
    N)c4    		 4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
    35750 RKR 2 C19 H18 Cl N3 O InChI=1S/C19H18ClN3O/c1-2
    3(2)16-7-6-14-11-21-12-18
    (17(14)10-16)22-19(24)9-1
    3-4-3-5-15(20)8-13/h3-8,1
    0-12H,9H2,1-2H3,(H,22,24);
    YDRXFINTBCAEPL-UHFFFAOYSA-N    		 CN(C)c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl
    ; Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)N(C
    )C; CN(C)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)
    c2c1    		 2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide
    35751 RKS
    ZINC000058638710    		 6 C24 H36 N4 O10 InChI=1S/C24H36N4O10/c1-1
    5(29)27(36)13-6-4-10-18(2
    5-22(33)17-9-8-12-20(31)2
    1(17)32)23(34)26-19(24(35
    )38-3)11-5-7-14-28(37)16(
    2)30/h8-9,12,18-19,31-32,
    36-37H,4-7,10-11,13-14H2,
    1-3H3,(H,25,33)(H,26,34)/
    t18-,19+/m1/s1;
    WXZHDJXCVBLPHY-MOPGFXCFSA-N    		 CC(=O)N(CCCCC(C(=O)NC(CCCCN(C(=O)C)O)C(=
    O)OC)NC(=O)c1cccc(c1O)O)O; COC(=O)[CH](C
    CCCN(O)C(C)=O)NC(=O)[CH](CCCCN(O)C(C)=O)
    NC(=O)c1cccc(O)c1O; COC(=O)[C@H](CCCCN(O
    )C(C)=O)NC(=O)[C@@H](CCCCN(O)C(C)=O)NC(=
    O)c1cccc(O)c1O; CC(=O)N(CCCC[C@H](C(=O)N
    [C@@H](CCCCN(C(=O)C)O)C(=O)OC)NC(=O)c1cc
    cc(c1O)O)O; O=C(OC)C(NC(=O)C(NC(=O)c1ccc
    c(O)c1O)CCCCN(O)C(=O)C)CCCCN(O)C(=O)C    		 methyl N~6~-acetyl-N~2~-[(2,3-dihydroxyphenyl)carbonyl]-N~6~-hydroxy-D-lysyl-N~6~-acetyl-N~6~-hydroxy-L-lysinate;
    2,3-catecholamide bis-lysine(hydroxamate) methyl ester
    35752 RKT
    ZINC000002539651    		 0 C10 H6 N4 InChI=1S/C10H6N4/c1-2-8-1
    0(14-6-4-12-8)9-7(1)11-3-
    5-13-9/h1-6H;
    CVSGFMWKZVZOJD-UHFFFAOYSA-N    		 c1cc2c(c3c1nccn3)nccn2; n1c3c(ncc1)ccc2n
    ccnc23; c1cnc2c(ccc3nccnc23)n1    		 pyrazino[2,3-f]quinoxaline
    35753 RKU 1 C17 H13 Br F N3 O3 InChI=1S/C17H13BrFN3O3/c1
    8-10-3-1-9(2-4-10)13(7-15
    (23)24)22-17(25)12-5-11(1
    9)6-14-16(12)21-8-20-14/h
    1-6,8,13H,7H2,(H,20,21)(H
    ,22,25)(H,23,24)/t13-/m0/
    s1;
    QCPOODMPJHYVRY-ZDUSSCGKSA-N    		 OC(=O)C[CH](NC(=O)c1cc(F)cc2[nH]cnc12)c3
    ccc(Br)cc3; Brc1ccc(cc1)C(CC(=O)O)NC(=O)
    c1cc(F)cc2[NH]cnc12; c1cc(ccc1C(CC(=O)O)
    NC(=O)c2cc(cc3c2nc[nH]3)F)Br; c1cc(ccc1[
    C@H](CC(=O)O)NC(=O)c2cc(cc3c2nc[nH]3)F)B
    r; OC(=O)C[C@H](NC(=O)c1cc(F)cc2[nH]cnc1
    2)c3ccc(Br)cc3    		 (3S)-3-(4-bromophenyl)-3-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]propanoic acid
    35754 RKV
    ZINC000005177747    		 2 C9 H8 N2 O3 InChI=1S/C9H8N2O3/c1-11-7
    (9(12)13)5-6(10-11)8-3-2-
    4-14-8/h2-5H,1H3,(H,12,13
    );
    MOPCEJWYTICWJM-UHFFFAOYSA-N    		 c1c(n(nc1c2ccco2)C)C(O)=O; Cn1c(cc(n1)c2
    ccco2)C(=O)O; Cn1nc(cc1C(O)=O)c2occc2    		 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
    35755 RKW
    CHEMBL5070119    		 2 C16 H16 N4 O2 InChI=1S/C16H16N4O2/c1-18
    -9-16(21)20-15-8-12(7-14(
    17)19-15)10-2-3-13-11(6-1
    0)4-5-22-13/h2-8,18H,9H2,
    1H3,(H3,17,19,20,21);
    QTOHGLNFWYFLSB-UHFFFAOYSA-N    		 CNCC(=O)Nc1cc(cc(N)n1)c2ccc3occc3c2; CNC
    C(=O)Nc1cc(cc(n1)N)c2ccc3c(c2)cco3    		 ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide
    35756 RKX
    CHEMBL3138844
    ZINC000000391171    		 1 C8 H10 N2 O InChI=1S/C8H10N2O/c1-11-7
    -4-2-6(3-5-7)8(9)10/h2-5H
    ,1H3,(H3,9,10);
    CSISQILZUHMAJB-UHFFFAOYSA-N    		 COc1ccc(cc1)C(=N)N; [H]/N=C(/c1ccc(cc1)O
    C)\N; COc1ccc(cc1)C(N)=N    		 4-methoxybenzenecarboximidamide
    35757 RKY
    CHEMBL1349957
    ZINC000003888072    		 3 C13 H14 O5 InChI=1S/C13H14O5/c14-10(
    3-5-13(15)16)9-2-4-11-12(
    8-9)18-7-1-6-17-11/h2,4,8
    H,1,3,5-7H2,(H,15,16);
    RQYNFIARXFWNDM-UHFFFAOYSA-N    		 OC(=O)CCC(=O)c1ccc2OCCCOc2c1; c1cc2c(cc1
    C(=O)CCC(=O)O)OCCCO2; c1cc(C(CCC(O)=O)=O
    )cc2c1OCCCO2    		 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
    35758 RKZ
    CHEMBL4575900    		 2 C21 H22 N6 O InChI=1S/C21H22N6O/c1-13(
    28-16-6-4-3-5-7-16)12-27-
    14(2)24-18-9-8-17(25-21(1
    8)27)15-10-19(22)26-20(23
    )11-15/h3-11,13H,12H2,1-2
    H3,(H4,22,23,26)/t13-/m1/
    s1;
    PUGXENIKUPHCAF-CYBMUJFWSA-N    		 Cc1nc2ccc(nc2n1CC(C)Oc3ccccc3)c4cc(nc(c4
    )N)N; C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc
    (N)c3)Oc4ccccc4; Cc1nc2ccc(nc2n1C[C@@H](
    C)Oc3ccccc3)c4cc(nc(c4)N)N; C[C@H](Cn1c(
    C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccc4    		 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
    35759 RL0 2 C19 H18 Cl N3 O3 S InChI=1S/C19H18ClN3O3S/c1
    -23(27(2,25)26)16-7-6-14-
    11-21-12-18(17(14)10-16)2
    2-19(24)9-13-4-3-5-15(20)
    8-13/h3-8,10-12H,9H2,1-2H
    3,(H,22,24);
    NWQAGGFPSKOROJ-UHFFFAOYSA-N    		 CN(c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl)S
    (=O)(=O)C; CN(c1ccc2cncc(NC(=O)Cc3cccc(C
    l)c3)c2c1)[S](C)(=O)=O; Clc1cccc(c1)CC(=
    O)Nc1cncc2ccc(cc21)N(C)S(C)(=O)=O    		 2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide
    35760 RL1
    CHEMBL3260476
    ZINC000098209367    		 1 C22 H17 Br N4 O3 InChI=1S/C22H17BrN4O3/c23
    -15-5-6-20-24-25-21(27(20
    )12-15)16-9-17(19(29)10-1
    8(16)28)22(30)26-8-7-13-3
    -1-2-4-14(13)11-26/h1-6,9
    -10,12,28-29H,7-8,11H2;
    PQZGUYBCXAZFGQ-UHFFFAOYSA-N    		 c1ccc2c(c1)CCN(C2)C(=O)c3cc(c(cc3O)O)c4n
    nc5n4cc(cc5)Br; Oc1cc(O)c(cc1C(=O)N2CCc3
    ccccc3C2)c4nnc5ccc(Br)cn45; Brc1ccc2nnc(
    n2c1)c3cc(c(O)cc3O)C(=O)N5Cc4c(cccc4)CC5    		 [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
    35761 RL2
    DB03691
    ZINC000012503756    		 1 C19 H28 N2 O5 InChI=1S/C19H28N2O5/c1-13
    (2)10-11-20-18(25)15(9-8-
    14-6-4-3-5-7-14)21-19(26)
    16(22)12-17(23)24/h3-7,13
    ,15-16,22H,8-12H2,1-2H3,(
    H,20,25)(H,21,26)(H,23,24
    )/t15-,16-/m0/s1;
    KVZMXOVSHIMGNA-HOTGVXAUSA-N    		 CC(C)CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H
    ](CC(=O)O)O; CC(C)CCNC(=O)[CH](CCc1ccccc
    1)NC(=O)[CH](O)CC(O)=O; CC(C)CCNC(=O)C(C
    Cc1ccccc1)NC(=O)C(CC(=O)O)O; CC(C)CCNC(=
    O)[C@H](CCc1ccccc1)NC(=O)[C@@H](O)CC(O)=
    O; O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CCc1
    ccccc1    		 N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE;
    WRR-112
    35762 RL3
    CHEMBL3260475
    ZINC000098209368    		 1 C18 H18 Br N5 O3 InChI=1S/C18H18BrN5O3/c1-
    22-4-6-23(7-5-22)18(27)13
    -8-12(14(25)9-15(13)26)17
    -21-20-16-3-2-11(19)10-24
    (16)17/h2-3,8-10,25-26H,4
    -7H2,1H3;
    MORDYVAZUXQMHB-UHFFFAOYSA-N    		 O=C(N1CCN(C)CC1)c4cc(c3nnc2ccc(Br)cn23)c
    (O)cc4O; CN1CCN(CC1)C(=O)c2cc(c(O)cc2O)c
    3nnc4ccc(Br)cn34; CN1CCN(CC1)C(=O)c2cc(c
    (cc2O)O)c3nnc4n3cc(cc4)Br    		 [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone
    35763 RL4 8 C29 H33 N O2 InChI=1S/C29H33NO2/c1-21-
    6-5-17-30(21)18-19-32-26-
    13-9-23(10-14-26)29-27(22
    -7-3-2-4-8-22)15-11-24-20
    -25(31)12-16-28(24)29/h2-
    4,7-10,12-14,16,20-21,27,
    29,31H,5-6,11,15,17-19H2,
    1H3/t21-,27-,29+/m1/s1;
    MMWIJVMRMZLIPV-NRZUKODWSA-N    		 C[C@@H]1CCCN1CCOc2ccc(cc2)[C@H]3[C@H](CC
    c4cc(O)ccc34)c5ccccc5; CC1CCCN1CCOc2ccc(
    cc2)C4c3ccc(O)cc3CCC4c5ccccc5; C[C@@H]1C
    CCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H
    ]3c5ccccc5)O; C[CH]1CCCN1CCOc2ccc(cc2)[C
    H]3[CH](CCc4cc(O)ccc34)c5ccccc5; CC1CCCN
    1CCOc2ccc(cc2)C3c4ccc(cc4CCC3c5ccccc5)O    		 (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
    35764 RL5 1 C12 H15 N5 O3 S InChI=1S/C12H15N5O3S/c1-2
    -13-12-15-5-9(21-12)10(18
    )14-3-4-17-6-8(11(19)20)1
    6-7-17/h5-7H,2-4H2,1H3,(H
    ,13,15)(H,14,18)(H,19,20);
    XUTVGWPXCMPLPZ-UHFFFAOYSA-N    		 CCNc1ncc(s1)C(=O)NCCn2cc(nc2)C(=O)O; CCN
    c1sc(cn1)C(=O)NCCn2cnc(c2)C(O)=O; CCNc1n
    cc(s1)C(=O)NCCn1cc(nc1)C(=O)O    		 1-(2-{[2-(ethylamino)-1,3-thiazole-5-carbonyl]amino}ethyl)-1H-imidazole-4-carboxylic acid
    35765 RL6 1 C11 H9 Cl2 N O InChI=1S/C11H9Cl2NO/c1-6-
    3-4-9-10(11(6)13)8(12)5-1
    4(9)7(2)15/h3-5H,1-2H3;
    IETDZXPYBWJKDH-UHFFFAOYSA-N    		 Cc1ccc2c(c1Cl)c(cn2C(=O)C)Cl; CC(=O)n1cc
    (Cl)c2c(Cl)c(C)ccc12    		 1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone
    35766 RL7
    CHEMBL4635646    		 1 C17 H16 F4 N2 O InChI=1S/C17H16F4N2O/c1-9
    -11(8-22-15(9)16(24)23-13
    -4-5-13)6-10-2-3-12(7-14(
    10)18)17(19,20)21/h2-3,7-
    8,13,22H,4-6H2,1H3,(H,23,
    24);
    HLDSAPKKTAWHGH-UHFFFAOYSA-N    		 Cc1c(Cc2ccc(cc2F)C(F)(F)F)c[nH]c1C(=O)NC
    3CC3; C(c1c(cc(cc1)C(F)(F)F)F)c3c(c(C(=O
    )NC2CC2)nc3)C; Cc1c(c[nH]c1C(=O)NC2CC2)C
    c3ccc(cc3F)C(F)(F)F    		 N-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1H-pyrrole-2-carboxamide
    35767 RL8 2 C19 H16 Cl N3 O2 InChI=1S/C19H16ClN3O2/c1-
    21-19(25)13-5-6-14-10-22-
    11-17(16(14)9-13)23-18(24
    )8-12-3-2-4-15(20)7-12/h2
    -7,9-11H,8H2,1H3,(H,21,25
    )(H,23,24);
    MQGFIRADDQPUFN-UHFFFAOYSA-N    		 CNC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2
    c1; Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C
    (=O)NC; CNC(=O)c1ccc2cncc(c2c1)NC(=O)Cc3
    cccc(c3)Cl    		 4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide
    35768 RL9 0 C17 H13 F N2 O3 InChI=1S/C17H13FN2O3/c18-
    14-3-1-12(17(22)23)8-13(1
    4)9-20-16(21)11-2-4-15-10
    (7-11)5-6-19-15/h1-8,19H,
    9H2,(H,20,21)(H,22,23);
    JKFYNJOLPXQHQS-UHFFFAOYSA-N    		 OC(=O)c1ccc(F)c(CNC(=O)c2ccc3[nH]ccc3c2)
    c1; O=C(O)c1cc(CNC(=O)c2cc3cc[NH]c3cc2)c
    (F)cc1; c1cc2c(cc[nH]2)cc1C(=O)NCc3cc(cc
    c3F)C(=O)O    		 4-fluoro-3-{[(1H-indole-5-carbonyl)amino]methyl}benzoic acid
    35769 RLA
    CHEMBL4642145    		 4 C17 H18 F3 N O2 InChI=1S/C17H18F3NO2/c1-4
    -23-16(22)15-10(2)14(11(3
    )21-15)9-12-5-7-13(8-6-12
    )17(18,19)20/h5-8,21H,4,9
    H2,1-3H3;
    PWRCYLHLZGCFQH-UHFFFAOYSA-N    		 CCOC(=O)c1[nH]c(C)c(Cc2ccc(cc2)C(F)(F)F)
    c1C; c1(ccc(cc1)Cc2c(nc(C(OCC)=O)c2C)C)C
    (F)(F)F; CCOC(=O)c1c(c(c([nH]1)C)Cc2ccc(
    cc2)C(F)(F)F)C    		 ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxylate
    35770 RLB 0 C38 H26 N8 Ru InChI=1S/C18H10N4.2C10H8N
    2.Ru/c1-2-8-14-13(7-1)21-
    17-11-5-3-9-19-15(11)16-1
    2(18(17)22-14)6-4-10-20-1
    6;2*1-3-7-11-9(5-1)10-6-2
    -4-8-12-10;/h1-10H;2*1-8H
    ;;
    NGWQAIWPRVFOPE-UHFFFAOYSA-N    		 n1c3c9c8c4c(c3nc2c1cccc2)cccn4[Ru]7%12(n
    5ccccc5c6ccccn67)(n8ccc9)n%10ccccc%10c%1
    1ccccn%11%12; c1ccc2c(c1)nc3c(n2)C4=CC=C
    [N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=
    CC=CC=[N]71)[N]1=CC=CC=C1C1=CC=CC=[N]81)
    C=CC=C36; [Ru]|1|2|3(|n4ccccc4c5ccccn|15
    )(|n6ccccc6c7ccccn|27)|n8cccc9c8c%10n|3c
    ccc%10c%11nc%12ccccc%12nc9%11    		 Lambda-[Ru(bpy)2dppz]2+
    35771 RLC 6 C24 H28 F N7 O InChI=1S/C24H28FN7O/c1-4-
    17(13-33)29-24-30-22(21-2
    3(31-24)32(14-28-21)15(2)
    3)27-12-16-8-9-18(19(25)1
    1-16)20-7-5-6-10-26-20/h5
    -11,14-15,17,33H,4,12-13H
    2,1-3H3,(H2,27,29,30,31)/
    t17-/m1/s1;
    DZJLJYVQLLFULK-QGZVFWFLSA-N    		 CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(
    c(c3)F)c4ccccn4; CC[C@H](CO)Nc1nc(c2c(n1
    )n(cn2)C(C)C)NCc3ccc(c(c3)F)c4ccccn4; CC
    [C@H](CO)Nc1nc(NCc2ccc(c(F)c2)c3ccccn3)c
    4ncn(C(C)C)c4n1; CC[CH](CO)Nc1nc(NCc2ccc
    (c(F)c2)c3ccccn3)c4ncn(C(C)C)c4n1    		 (2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
    35772 RLD
    CHEMBL5220884    		 2 C24 H22 N4 O2 InChI=1S/C24H22N4O2/c1-27
    -12-9-16-13-17(5-7-19(16)
    24(27)30)22-15-25-20-8-6-
    18(14-21(20)26-22)23(29)2
    8-10-3-2-4-11-28/h5-9,12-
    15H,2-4,10-11H2,1H3;
    URHPFANOQLIROT-UHFFFAOYSA-N    		 C5CCN(C(c4ccc3c(nc(c2ccc1C(=O)N(C=Cc1c2)
    C)cn3)c4)=O)CC5; CN1C=Cc2cc(ccc2C1=O)c3c
    nc4ccc(cc4n3)C(=O)N5CCCCC5    		 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one
    35773 RLG
    CHEMBL4778271
    ZINC000071773439    		 1 C11 H13 N O InChI=1S/C11H13NO/c1-12-8
    -10(7-11(12)13)9-5-3-2-4-
    6-9/h2-6,10H,7-8H2,1H3/t1
    0-/m0/s1;
    NJSMSOSBMMZSSB-JTQLQIEISA-N    		 CN1C[CH](CC1=O)c2ccccc2; CN1C[C@H](CC1=O
    )c2ccccc2; CN1CC(CC1=O)c2ccccc2    		 (4R)-1-methyl-4-phenylpyrrolidin-2-one
    35774 RLH 1 C23 H24 Cl N3 O2 InChI=1S/C23H24ClN3O2/c24
    -19-5-3-4-17(12-19)13-23(
    28)26-22-16-25-15-18-14-2
    0(6-7-21(18)22)29-11-10-2
    7-8-1-2-9-27/h3-7,12,14-1
    6H,1-2,8-11,13H2,(H,26,28
    );
    MIPAPSMIEZDAGL-UHFFFAOYSA-N    		 Clc1cccc(CC(=O)Nc2cncc3cc(OCCN4CCCC4)ccc
    23)c1; c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2ccc
    (c3)OCCN4CCCC4; Clc1cccc(c1)CC(=O)Nc1cnc
    c2cc(OCCN3CCCC3)ccc21    		 2-(3-chlorophenyl)-N-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide
    35775 RLI
    CHEMBL1360596
    ZINC000002878858    		 2 C17 H16 N4 O3 S2 InChI=1S/C17H16N4O3S2/c1-
    3-13(22)21-17-18-9(2)14(2
    6-17)12-8-25-16(20-12)19-
    11-6-4-10(5-7-11)15(23)24
    /h4-8H,3H2,1-2H3,(H,19,20
    )(H,23,24)(H,18,21,22);
    JOAXMWDTALNZFE-UHFFFAOYSA-N    		 CCC(=O)Nc1sc(c(C)n1)c2csc(Nc3ccc(cc3)C(O
    )=O)n2; CCC(=O)Nc1nc(c(s1)c2csc(n2)Nc3cc
    c(cc3)C(=O)O)C; O=C(O)c3ccc(Nc1nc(cs1)c2
    sc(nc2C)NC(=O)CC)cc3    		 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid
    35776 RLJ
    CHEMBL1738889
    DB12078
    ZINC000035793636    		 1 C19 H14 F3 N3 O3 InChI=1S/C19H14F3N3O3/c1-
    18(27,11-28-15-6-2-12(9-2
    3)3-7-15)17(26)25-14-5-4-
    13(10-24)16(8-14)19(20,21
    )22/h2-8,27H,11H2,1H3,(H,
    25,26)/t18-/m0/s1;
    JNGVJMBLXIUVRD-SFHVURJKSA-N    		 C[C](O)(COc1ccc(cc1)C#N)C(=O)Nc2ccc(C#N)
    c(c2)C(F)(F)F; C[C@](COc1ccc(cc1)C#N)(C(
    =O)Nc2ccc(c(c2)C(F)(F)F)C#N)O; C[C@](O)(
    COc1ccc(cc1)C#N)C(=O)Nc2ccc(C#N)c(c2)C(F
    )(F)F; FC(F)(F)c1cc(ccc1C#N)NC(=O)C(O)(C
    Oc2ccc(C#N)cc2)C; CC(COc1ccc(cc1)C#N)(C(
    =O)Nc2ccc(c(c2)C(F)(F)F)C#N)O    		 (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
    35777 RLK 2 C19 H27 Br N6 O4 S InChI=1S/C19H27BrN6O4S/c1
    -24(2)6-3-11-31(28,29)26-
    9-7-25(8-10-26)14-4-5-15(
    20)16(12-14)22-18(27)17-1
    3-30-19(21)23-17/h4-5,12-
    13H,3,6-11H2,1-2H3,(H2,21
    ,23)(H,22,27);
    GTJMWLKWMPRNKA-UHFFFAOYSA-N    		 CN(C)CCCS(=O)(=O)N1CCN(CC1)c2ccc(c(c2)NC
    (=O)c3coc(n3)N)Br; CN(C)CCC[S](=O)(=O)N1
    CCN(CC1)c2ccc(Br)c(NC(=O)c3coc(N)n3)c2    		 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
    35778 RLL
    CHEMBL1738890
    ZINC000066167073    		 1 C23 H16 F3 N3 O3 InChI=1S/C23H16F3N3O3/c1-
    22(31,13-32-20-9-7-14(11-
    27)17-4-2-3-5-18(17)20)21
    (30)29-16-8-6-15(12-28)19
    (10-16)23(24,25)26/h2-10,
    31H,13H2,1H3,(H,29,30)/t2
    2-/m0/s1;
    BCJNRNBOQWJRIM-QFIPXVFZSA-N    		 C[C](O)(COc1ccc(C#N)c2ccccc12)C(=O)Nc3cc
    c(C#N)c(c3)C(F)(F)F; C[C@](O)(COc1ccc(C#
    N)c2ccccc12)C(=O)Nc3ccc(C#N)c(c3)C(F)(F)
    F; CC(COc1ccc(c2c1cccc2)C#N)(C(=O)Nc3ccc
    (c(c3)C(F)(F)F)C#N)O; C[C@](COc1ccc(c2c1
    cccc2)C#N)(C(=O)Nc3ccc(c(c3)C(F)(F)F)C#N
    )O; FC(F)(F)c1cc(ccc1C#N)NC(=O)C(O)(C)CO
    c3ccc(C#N)c2ccccc23    		 (2S)-3-[(4-cyanonaphthalen-1-yl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
    35779 RLM
    ZINC000002527896    		 3 C12 H9 Cl2 N O2 InChI=1S/C12H9Cl2NO2/c13-
    10-5-8(6-11(14)12(10)17)1
    5-7-1-3-9(16)4-2-7/h1-6,1
    5-17H;
    IFTGQCOAUCEONK-UHFFFAOYSA-N    		 Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1; c1cc(cc
    c1Nc2cc(c(c(c2)Cl)O)Cl)O; Clc1cc(cc(Cl)c
    1O)Nc2ccc(O)cc2    		 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol
    35780 RLN 1 C17 H14 N2 O3 S InChI=1S/C17H14N2O3S/c20-
    15(21)9-11-1-3-12(4-2-11)
    10-19-17(22)13-5-7-18-14-
    6-8-23-16(13)14/h1-8H,9-1
    0H2,(H,19,22)(H,20,21);
    CLXWTDODTCGGCR-UHFFFAOYSA-N    		 O=C(O)Cc1ccc(cc1)CNC(=O)c1ccnc2ccsc12; c
    1cc(ccc1CC(=O)O)CNC(=O)c2ccnc3c2scc3; OC
    (=O)Cc1ccc(CNC(=O)c2ccnc3ccsc23)cc1    		 (4-{[(thieno[3,2-b]pyridine-7-carbonyl)amino]methyl}phenyl)acetic acid
    35781 RLO 4 C18 H21 N O5 InChI=1S/C18H21NO5/c20-10
    -15-17(22)18(23)16(21)14(
    24-15)5-1-3-11-6-7-13-12(
    9-11)4-2-8-19-13/h1-4,6-9
    ,14-18,20-23H,5,10H2/b3-1
    +/t14-,15-,16-,17-,18-/m1
    /s1;
    SJKMSFJIONHVCI-GBPXCZALSA-N    		 c1cc2cc(ccc2nc1)C=CCC3C(C(C(C(O3)CO)O)O)
    O; OC[CH]1O[CH](CC=Cc2ccc3ncccc3c2)[CH](
    O)[CH](O)[CH]1O; c1cc2cc(ccc2nc1)/C=C/C[
    C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O
    )O; OC[C@H]1O[C@H](C/C=C/c2ccc3ncccc3c2)
    [C@@H](O)[C@@H](O)[C@@H]1O    		 (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-quinolin-6-ylprop-2-enyl]oxane-3,4,5-triol;
    (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-((E)-3-(quinolin-6-yl)allyl)tetrahydro-2H-pyran-3,4,5-triol
    35782 RLP
    DB04262
    ZINC000103555562    		 10 C14 H18 N4 O9 InChI=1S/C14H18N4O9/c19-4
    -7(21)10(24)6(20)3-18-11-
    9(12(25)17-14(27)16-11)15
    -5(13(18)26)1-2-8(22)23/h
    6-7,10,19-21,24,26H,1-4H2
    ,(H,22,23)(H,17,25,27)/t6
    -,7+,10-/m0/s1;
    ZUXCIPRCLKZSHS-PJKMHFRUSA-N    		 C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)CC
    (C(C(CO)O)O)O)O; O=C(O)CCC=2N=C1C(=NC(=O
    )NC1=O)N(C=2O)CC(O)C(O)C(O)CO; C(CC(=O)O
    )C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@
    @H]([C@@H](CO)O)O)O)O; OC[CH](O)[CH](O)[
    CH](O)CN1C(=C(CCC(O)=O)N=C2C(=O)NC(=O)N=
    C12)O; OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C
    (=C(CCC(O)=O)N=C2C(=O)NC(=O)N=C12)O    		 3-(7-HYDROXY-8-RIBITYLLUMAZINE-6-YL) PROPIONIC ACID
    35783 RLR 1 C23 H21 Cl N4 O2 InChI=1S/C23H21ClN4O2/c24
    -16-6-5-15-12-28(21-7-8-2
    6-23(21)30)13-19(18(15)9-
    16)22(29)27-20-11-25-10-1
    4-3-1-2-4-17(14)20/h1-6,9
    -11,19,21H,7-8,12-13H2,(H
    ,26,30)(H,27,29)/t19-,21-
    /m1/s1;
    TUGUABFGTODCQJ-TZIWHRDSSA-N    		 O=C1NCCC1N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cnc
    c2ccccc21; Clc1ccc2CN(C[CH](C(=O)Nc3cncc
    4ccccc34)c2c1)[CH]5CCNC5=O; c1ccc2c(c1)c
    ncc2NC(=O)[C@@H]3CN(Cc4c3cc(cc4)Cl)[C@@H
    ]5CCNC5=O; c1ccc2c(c1)cncc2NC(=O)C3CN(Cc
    4c3cc(cc4)Cl)C5CCNC5=O; Clc1ccc2CN(C[C@@
    H](C(=O)Nc3cncc4ccccc34)c2c1)[C@@H]5CCNC
    5=O    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35784 RLS 1 C16 H22 N2 O3 S InChI=1S/C16H22N2O3S/c1-1
    7-12-14(11-16(17)19)13-5-
    7-15(8-6-13)22(20,21)18-9
    -3-2-4-10-18/h5-8,14H,2-4
    ,9-12H2,1H3/t14-/m0/s1;
    FJZVEOQSYSYUQK-AWEZNQCLSA-N    		 CN1C[C@H](CC1=O)c2ccc(cc2)[S](=O)(=O)N3C
    CCCC3; CN1C[C@H](CC1=O)c2ccc(cc2)S(=O)(=
    O)N3CCCCC3; CN1C(CC(C1)c2ccc(cc2)S(N3CCC
    CC3)(=O)=O)=O; CN1C[CH](CC1=O)c2ccc(cc2)
    [S](=O)(=O)N3CCCCC3; CN1CC(CC1=O)c2ccc(c
    c2)S(=O)(=O)N3CCCCC3    		 (4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
    35785 RLT
    CHEMBL254316
    DB06817
    ZINC000013831130    		 11 C20 H21 F N6 O5 InChI=1S/C20H21FN6O5/c1-1
    0-25-26-17(32-10)16(30)24
    -20(2,3)19-23-13(14(28)18
    (31)27(19)4)15(29)22-9-11
    -5-7-12(21)8-6-11/h5-8,28
    H,9H2,1-4H3,(H,22,29)(H,2
    4,30);
    CZFFBEXEKNGXKS-UHFFFAOYSA-N    		 CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2
    )C(=O)NCc3ccc(F)cc3)O; Cc1nnc(o1)C(=O)NC
    (C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(c
    c3)F    		 N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide;
    RALTEGRAVIR, MK0518
    35786 RLU 1 C16 H13 Br N4 O3 InChI=1S/C16H13BrN4O3/c17
    -10-3-1-9(2-4-10)12(7-13(
    22)23)21-16(24)14-11-5-6-
    18-15(11)20-8-19-14/h1-6,
    8,12H,7H2,(H,21,24)(H,22,
    23)(H,18,19,20)/t12-/m1/s
    1;
    FSOPVDVKYHLXNE-GFCCVEGCSA-N    		 c1cc(ccc1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn
    2)Br; OC(=O)C[C@@H](NC(=O)c1ncnc2[nH]ccc
    12)c3ccc(Br)cc3; c1cc(ccc1[C@@H](CC(=O)O
    )NC(=O)c2c3cc[nH]c3ncn2)Br; OC(=O)C[CH](
    NC(=O)c1ncnc2[nH]ccc12)c3ccc(Br)cc3; Brc
    1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc1
    2    		 (3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    35787 RLV 2 C14 H20 N2 O3 S InChI=1S/C14H20N2O3S/c1-3
    -8-15-20(18,19)13-6-4-11(
    5-7-13)12-9-14(17)16(2)10
    -12/h4-7,12,15H,3,8-10H2,
    1-2H3/t12-/m0/s1;
    UOJMSGYUFCDFLH-LBPRGKRZSA-N    		 CCCNS(=O)(=O)c1ccc(cc1)[C@H]2CC(=O)N(C2)
    C; CCCN[S](=O)(=O)c1ccc(cc1)[C@@H]2CN(C)
    C(=O)C2; CN2C(CC(c1ccc(S(NCCC)(=O)=O)cc1
    )C2)=O; CCCNS(=O)(=O)c1ccc(cc1)C2CC(=O)N
    (C2)C; CCCN[S](=O)(=O)c1ccc(cc1)[CH]2CN(
    C)C(=O)C2    		 4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide
    35788 RLW
    CHEMBL2171659
    ZINC000095553078    		 4 C17 H22 N2 O3 InChI=1S/C17H22N2O3/c1-17
    (2)15(18-19-16(17)20)11-8
    -9-13(21-3)14(10-11)22-12
    -6-4-5-7-12/h8-10,12H,4-7
    H2,1-3H3,(H,19,20);
    OEXHNVPDHFPXCA-UHFFFAOYSA-N    		 COc1ccc(cc1OC2CCCC2)C3=NNC(=O)C3(C)C; CC
    1(C(=NNC1=O)c2ccc(c(c2)OC3CCCC3)OC)C    		 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{H}-pyrazol-5-one
    35789 RLY
    CHEMBL4777253    		 1 C23 H30 N2 O5 S InChI=1S/C23H30N2O5S/c1-6
    -25(7-2)31(27,28)18-9-10-
    19(17-13-23(26)24(3)15-17
    )20(14-18)16-8-11-21(29-4
    )22(12-16)30-5/h8-12,14,1
    7H,6-7,13,15H2,1-5H3/t17-
    /m1/s1;
    CZOWHOAXNNGART-QGZVFWFLSA-N    		 CCN(CC)S(=O)(=O)c1ccc(c(c1)c2ccc(c(c2)OC
    )OC)C3CC(=O)N(C3)C; CCN(CC)S(=O)(=O)c1cc
    c(c(c1)c2ccc(c(c2)OC)OC)[C@@H]3CC(=O)N(C
    3)C; c3(ccc(C1CN(C)C(C1)=O)c(c2cc(c(cc2)
    OC)OC)c3)S(N(CC)CC)(=O)=O; CCN(CC)[S](=O
    )(=O)c1ccc([CH]2CN(C)C(=O)C2)c(c1)c3ccc(
    OC)c(OC)c3; CCN(CC)[S](=O)(=O)c1ccc([C@H
    ]2CN(C)C(=O)C2)c(c1)c3ccc(OC)c(OC)c3    		 N,N-diethyl-3',4'-dimethoxy-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide
    35790 RLZ 24 C58 H72 N8 O12 InChI=1S/C58H72N8O12/c1-3
    5-14-13-15-37(3)78-54(70)
    33-47(38-19-21-41(67)22-2
    0-38)63-57(72)49(29-39-34
    -60-44-17-10-9-16-43(39)4
    4)66(4)58(73)46(62-56(71)
    36(2)28-35)18-11-12-27-59
    -52(68)25-26-53(69)61-48-
    32-42(74-5)23-24-45(48)65
    -64-40-30-50(75-6)55(77-8
    )51(31-40)76-7/h9-10,14,1
    6-17,19-24,30-32,34,36-37
    ,46-47,49,60,67H,11-13,15
    ,18,25-29,33H2,1-8H3,(H,5
    9,68)(H,61,69)(H,62,71)(H
    ,63,72)/b35-14+,65-64-/t3
    6-,37-,46-,47+,49+/m0/s1;
    NHSDRYIAMSCFAB-MHSPIPMPSA-N    		 COc1ccc(N=Nc2cc(OC)c(OC)c(OC)c2)c(NC(=O)
    CCC(=O)NCCCC[CH]3NC(=O)[CH](C)CC(=CCC[CH
    ](C)OC(=O)C[CH](NC(=O)[CH](Cc4c[nH]c5ccc
    cc45)N(C)C3=O)c6ccc(O)cc6)C)c1; COc1ccc(
    N=Nc2cc(OC)c(OC)c(OC)c2)c(NC(=O)CCC(=O)N
    CCCC[C@@H]3NC(=O)[C@@H](C)CC(=C/CC[C@H](
    C)OC(=O)C[C@@H](NC(=O)[C@@H](Cc4c[nH]c5c
    cccc45)N(C)C3=O)c6ccc(O)cc6)/C)c1; CC1CC
    C=C(CC(C(=O)NC(C(=O)N(C(C(=O)NC(CC(=O)O1
    )c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCNC(
    =O)CCC(=O)Nc5cc(ccc5N=Nc6cc(c(c(c6)OC)OC
    )OC)OC)C)C; C[C@H]1CC/C=C(/C[C@@H](C(=O)
    N[C@H](C(=O)N([C@@H](C(=O)N[C@H](CC(=O)O
    1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCNC
    (=O)CCC(=O)Nc5cc(ccc5/N=N\c6cc(c(c(c6)OC
    )OC)OC)OC)C)\C    		 ~{N}-[4-[(4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetrakis(oxidanylidene)-1-oxa-5,8,11-triazacyclononadec-15-en-10-yl]butyl]-~{N}'-[5-methoxy-2-[(~{Z})-(3,4,5-trimethoxyphenyl)diazenyl]phenyl]butanediamide;
    cis-optoJASP-8;
    trans-optoJASP-8
    35791 RM0 2 C15 H23 N3 O3 InChI=1S/C15H23N3O3/c19-1
    5-6-5-13(17-14(15)12-16-2
    0)4-2-1-3-7-18-8-10-21-11
    -9-18/h5-6,12,19-20H,1-4,
    7-11H2/b16-12+;
    DHXJJCCCAIXLRS-FOWTUZBSSA-N    		 c1cc(c(nc1CCCCCN2CCOCC2)C=NO)O; O\N=C\c1
    nc(CCCCCN2CCOCC2)ccc1O; c1cc(c(nc1CCCCCN
    2CCOCC2)/C=N/O)O; ON=Cc1nc(CCCCCN2CCOCC2
    )ccc1O    		 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol
    35792 RM1
    CHEMBL1235698
    ZINC000012505624    		 4 C10 H13 N InChI=1S/C10H13N/c1-11-10
    -7-6-8-4-2-3-5-9(8)10/h2-
    5,10-11H,6-7H2,1H3/t10-/m
    1/s1;
    AIXUYZODYPPNAV-SNVBAGLBSA-N    		 c1cccc2c1CCC2NC; CNC1CCc2c1cccc2; CN[C@@
    H]1CCc2ccccc12; CN[C@@H]1CCc2c1cccc2; CN
    [CH]1CCc2ccccc12    		 N-METHYL-1(R)-AMINOINDAN
    35793 RM2
    DB08480
    ZINC000038425445    		 2 C12 H13 N O InChI=1S/C12H13NO/c1-2-8-
    13-11-7-6-10-9(11)4-3-5-1
    2(10)14/h2-5,8,11,14H,1,6
    -7H2/b13-8+/t11-/m1/s1;
    OFWOPQIDDNCCLL-KAQJVSAMSA-N    		 Oc1cccc2[CH](CCc12)N=CC=C; C=CC=NC1CCc2c
    1cccc2O; C=C\C=N\[C@@H]1CCc2c1cccc2O; Oc
    1cccc2[C@@H](CCc12)N=CC=C; Oc1cccc2c1CCC
    2/N=C/C=C    		 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN
    35794 RM3 1 C19 H18 Cl N3 O InChI=1S/C19H18ClN3O/c1-2
    3(2)16-6-7-17-14(10-16)11
    -21-12-18(17)22-19(24)9-1
    3-4-3-5-15(20)8-13/h3-8,1
    0-12H,9H2,1-2H3,(H,22,24);
    VLCYSYPHYNBYLW-UHFFFAOYSA-N    		 CN(C)c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl
    ; Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)N(C
    )C; CN(C)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cnc
    c2c1    		 2-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin-4-yl]acetamide
    35795 RM4
    ZINC000003861281    		 23 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-YJRYQGEOSA-N    		 C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O
    )O; C[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@
    H]1O; OC1C(O)C(OC(O)C1O)C; CC1C(C(C(C(O1
    )O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](O)[C
    H]1O    		 beta-L-rhamnopyranose;
    beta-L-rhamnose;
    6-deoxy-beta-L-mannopyranose;
    L-rhamnose;
    rhamnose
    35796 RM5 1 C20 H27 Cl N2 O5 S InChI=1S/C20H27ClN2O5S/c1
    -11(2)15-8-14(21)9-16(12(
    3)4)18(15)22-19(24)23-29(
    26,27)17-7-13(10-28-17)20
    (5,6)25/h7-12,25H,1-6H3,(
    H2,22,23,24);
    RTJGVFANTDWUEG-UHFFFAOYSA-N    		 CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)N[S](=O)(=
    O)c2occ(c2)C(C)(C)O; CC(C)c1cc(cc(c1NC(=
    O)NS(=O)(=O)c2cc(co2)C(C)(C)O)C(C)C)Cl    		 1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea
    35797 RM6 1 C15 H16 N2 O3 S InChI=1S/C15H16N2O3S/c18-
    14(19)5-9-3-10(4-9)7-17-1
    5(20)12-6-11-1-2-21-13(11
    )8-16-12/h1-2,6,8-10H,3-5
    ,7H2,(H,17,20)(H,18,19)/t
    9-,10-;
    BFCQGZXJYIJBQN-MGCOHNPYSA-N    		 c1csc2c1cc(nc2)C(=O)NCC3CC(C3)CC(=O)O; O
    C(=O)C[CH]1C[CH](CNC(=O)c2cc3ccsc3cn2)C1
    ; OC(=O)C[C@@H]1C[C@@H](CNC(=O)c2cc3ccsc
    3cn2)C1; O=C(O)CC1CC(C1)CNC(=O)c1cc2ccsc
    2cn1    		 [(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid
    35798 RM7 1 C20 H29 N5 O S2 InChI=1S/C20H29N5OS2/c21-
    18-17-14-7-3-1-4-8-15(14)
    28-19(17)24-20(23-18)27-1
    3-16(26)22-9-12-25-10-5-2
    -6-11-25/h1-13H2,(H,22,26
    )(H2,21,23,24);
    ZJUBDERDNUODTD-UHFFFAOYSA-N    		 C1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)
    N)CC1; C(CNC(CSc1nc(N)c2c(n1)sc3c2CCCCC3
    )=O)N4CCCCC4; Nc1nc(SCC(=O)NCCN2CCCCC2)n
    c3sc4CCCCCc4c13    		 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide
    35799 RM8
    CHEMBL1215474
    ZINC000002490706    		 2 C19 H22 N4 InChI=1S/C19H22N4/c1-15-1
    7(16-6-2-3-7-18(16)21-15)
    14-22-10-12-23(13-11-22)1
    9-8-4-5-9-20-19/h2-9,21H,
    10-14H2,1H3;
    ZAXKSLQZANTESC-UHFFFAOYSA-N    		 Cc1[nH]c2ccccc2c1CN3CCN(CC3)c4ccccn4; Cc
    1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4; n1
    ccccc1N4CCN(Cc2c(nc3ccccc23)C)CC4    		 2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole
    35800 RM9
    CHEMBL4633785    		 5 C10 H8 B F O4 InChI=1S/C10H8BFO4/c12-7-
    2-1-4-5-3-6(5)11(15)16-9(
    4)8(7)10(13)14/h1-2,5-6,1
    5H,3H2,(H,13,14)/t5-,6-/m
    1/s1;
    KOHUFVUIYUCFNG-PHDIDXHHSA-N    		 B1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)
    O; B1(Oc3c(C(O)=O)c(ccc3C2C1C2)F)O; B1(C
    2CC2c3ccc(c(c3O1)C(=O)O)F)O; OB1Oc2c(ccc
    (F)c2C(O)=O)[CH]3C[CH]13; OB1Oc2c(ccc(F)
    c2C(O)=O)[C@H]3C[C@@H]13    		 (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
    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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