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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
    27001 KJ9 4 C37 H69 O17 P InChI=1S/C37H69O17P/c1-3-
    5-7-9-11-13-15-17-19-21-3
    3(43)53-29(26-49-32(42)20
    -18-16-14-12-10-8-6-4-2)2
    7-52-55(47,48)51-25-28(39
    )24-50-37(36(45)46)22-30(
    40)34(44)35(54-37)31(41)2
    3-38/h28-31,34-35,38-41,4
    4H,3-27H2,1-2H3,(H,45,46)
    (H,47,48)/t28-,29+,30+,31
    +,34-,35+,37+/m1/s1;
    ATJBCTLIIQRQQQ-KWTBEUQISA-N    		 CCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCC)
    CO[P](O)(=O)OC[CH](O)CO[C]1(C[CH](O)[CH]
    (O)[CH](O1)[CH](O)CO)C(O)=O; CCCCCCCCCCC
    (=O)OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(
    O)COC1(CC(O)C(O)C(O1)C(O)CO)C(=O)O; CCCC
    CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCC)CO
    P(=O)(O)OC[C@@H](CO[C@]1(C[C@@H]([C@H]([
    C@@H](O1)[C@H](CO)O)O)O)C(=O)O)O; CCCCCC
    CCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COP(=O)(O
    )OCC(COC1(CC(C(C(O1)C(CO)O)O)O)C(=O)O)O;
    CCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC
    CC)CO[P](O)(=O)OC[C@H](O)CO[C@]1(C[C@H](
    O)[C@@H](O)[C@@H](O1)[C@@H](O)CO)C(O)=O    		 (2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid
    27002 KJB 1 C28 H33 F3 N8 O2 InChI=1S/C28H33F3N8O2/c1-
    17(2)41-23-15-32-16-34-26
    (23)20-4-5-21-22(12-20)36
    -27(35-21)37-24-13-19(6-7
    -33-24)18(3)38-8-10-39(11
    -9-38)25(40)14-28(29,30)3
    1/h4-7,12-13,15-18,27,35-
    36H,8-11,14H2,1-3H3,(H,33
    ,37)/t18-,27+/m1/s1;
    PETZDHZEDSUUQC-CLYVBNDRSA-N    		 C[C@H](c1ccnc(c1)N[C@H]2Nc3ccc(cc3N2)c4c
    (cncn4)OC(C)C)N5CCN(CC5)C(=O)CC(F)(F)F;
    CC(C)Oc1cncnc1c2ccc3c(c2)NC(N3)Nc4cc(ccn
    4)C(C)N5CCN(CC5)C(=O)CC(F)(F)F; CC(C)Oc1
    cncnc1c2ccc3N[CH](Nc4cc(ccn4)[CH](C)N5CC
    N(CC5)C(=O)CC(F)(F)F)Nc3c2; CC(C)Oc1cncn
    c1c2ccc3N[C@H](Nc4cc(ccn4)[C@@H](C)N5CCN
    (CC5)C(=O)CC(F)(F)F)Nc3c2; CC(c1ccnc(NC2
    Nc3ccc(cc3N2)c2ncncc2OC(C)C)c1)N1CCN(CC1
    )C(=O)CC(F)(F)F    		 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one
    27003 KJC
    CHEMBL3685469
    ZINC000148294282    		 4 C22 H26 N8 O3 InChI=1S/C22H26N8O3/c1-22
    (2,33)11-25-20(31)19-17(1
    0-30(3)29-19)28-21(32)18-
    16(26-14-8-23-12-24-9-14)
    7-6-15(27-18)13-4-5-13/h6
    -10,12-13,26,33H,4-5,11H2
    ,1-3H3,(H,25,31)(H,28,32);
    KQDRIBLXDBIQSF-UHFFFAOYSA-N    		 CC(C)(CNC(=O)c1c(cn(n1)C)NC(=O)c2c(ccc(n
    2)C3CC3)Nc4cncnc4)O; Cn1cc(NC(=O)c2nc(cc
    c2Nc3cncnc3)C4CC4)c(n1)C(=O)NCC(C)(C)O;
    O=C(NCC(C)(C)O)c1nn(C)cc1NC(=O)c1nc(ccc1
    Nc1cncnc1)C1CC1    		 6-cyclopropyl-N-{3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
    27004 KJD
    CHEMBL4467571    		 2 C17 H13 F2 N3 O3 S InChI=1S/C17H13F2N3O3S/c1
    8-14-6-10(7-15(19)16(14)2
    3)13-5-11(8-22-17(13)20)9
    -1-3-12(4-2-9)26(21,24)25
    /h1-8,23H,(H2,20,22)(H2,2
    1,24,25);
    MTBXQYCZMOAADV-UHFFFAOYSA-N    		 c1cc(ccc1c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F)
    S(=O)(=O)N; Nc1ncc(cc1c2cc(F)c(O)c(F)c2)
    c3ccc(cc3)[S](N)(=O)=O; c1(cnc(N)c(c1)c2
    cc(F)c(c(c2)F)O)c3ccc(cc3)S(N)(=O)=O    		 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide
    27005 KJE 8 C21 H25 N2 O2 InChI=1S/C21H25N2O2/c1-3-
    14-10-15-11-18(21(24)25-2
    )20-17(8-9-23(12-14)13-15
    )16-6-4-5-7-19(16)22-20/h
    4-7,10,12,15,17-18H,3,8-9
    ,11,13H2,1-2H3/q+1/t15-,1
    7+,18+/m0/s1;
    ULODILYUCKTWMV-CGTJXYLNSA-N    		 CCC1=C[C@H]2C[C@@H](C(=O)OC)C3=Nc4ccccc4
    [C@H]3CC[N@@+](=C1)C2; CCC1=CC2CC(C3=Nc4
    ccccc4C3CC[N+](=C1)C2)C(=O)OC; CCC1=C[C@
    H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(
    =O)OC; CCC1=C[CH]2C[CH](C(=O)OC)C3=Nc4cc
    ccc4[CH]3CC[N+](=C1)C2    		 18-carboxymethoxy-cleaviminium
    27006 KJF 3 C14 H21 N2 O InChI=1S/C14H20N2O/c15-13
    (14(17)16-10-4-5-11-16)9-
    8-12-6-2-1-3-7-12/h1-3,6-
    7,13H,4-5,8-11,15H2/p+1/t
    13-/m1/s1;
    WCADMWMQCHZJOA-CYBMUJFWSA-O    		 [NH3+][CH](CCc1ccccc1)C(=O)N2CCCC2; [NH3
    +][C@H](CCc1ccccc1)C(=O)N2CCCC2; c1ccc(c
    c1)CC[C@H](C(=O)N2CCCC2)[NH3+]; c1ccc(cc
    1)CCC(C(=O)N2CCCC2)[NH3+]    		 [(2~{R})-1-oxidanylidene-4-phenyl-1-pyrrolidin-1-yl-butan-2-yl]azanium
    27007 KJG
    CHEMBL480678
    ZINC000001676595    		 2 C18 H12 O4 InChI=1S/C18H12O4/c19-15-
    13(11-7-3-1-4-8-11)16(20)
    18(22)14(17(15)21)12-9-5-
    2-6-10-12/h1-10,19,22H;
    HZKFHDXTSAYOSN-UHFFFAOYSA-N    		 c1ccc(cc1)C2=C(C(=O)C(=C(C2=O)O)c3ccccc3
    )O; OC1=C(C(=O)C(=C(C1=O)c2ccccc2)O)c3cc
    ccc3; O=C1C(=C(O)C(=O)C(=C1O)c2ccccc2)c3
    ccccc3    		 2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione
    27008 KJH 2 C11 H8 O InChI=1S/C11H8O/c1-8-10-5
    -3-2-4-9(10)6-7-11(8)12/h
    2-7H,1H2;
    CPUOMPRQOCEZSL-UHFFFAOYSA-N    		 C=C1C(=O)C=Cc2ccccc12; C=C1c2ccccc2C=CC1
    =O    		 1-methylidenenaphthalen-2-one
    27009 KJI 1 C17 H16 N4 O InChI=1S/C17H16N4O/c1-12-
    6-8-18-10-16(12)21-17(22)
    11-20-15-7-9-19-14-5-3-2-
    4-13(14)15/h2-10H,11H2,1H
    3,(H,19,20)(H,21,22);
    OZRCAPIRQWCXDS-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)CNc2ccnc3ccccc23; O=C(Nc1
    cnccc1C)CNc1ccnc2ccccc21; Cc1ccncc1NC(=O
    )CNc2ccnc3c2cccc3    		 N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide
    27010 KJJ 1 C35 H41 F N2 O4 InChI=1S/C35H41FN2O4/c1-2
    0-24-12-9-15-41-32(24)28(
    36)17-25(20)31-27-19-38(1
    8-23-16-26(23)22-10-7-6-8
    -11-22)14-13-29(27)37-21(
    2)30(31)33(34(39)40)42-35
    (3,4)5/h6-8,10-11,17,23,2
    6,33H,9,12-16,18-19H2,1-5
    H3,(H,39,40)/t23-,26+,33+
    /m1/s1;
    BXDYSLFANINKPQ-VEWAMZQOSA-N    		 Cc1nc2CCN(C[C@H]3C[C@H]3c4ccccc4)Cc2c(c5
    cc(F)c6OCCCc6c5C)c1[C@H](OC(C)(C)C)C(O)=
    O; Cc1c(cc(c2c1CCCO2)F)c3c4c(nc(c3[C@@H]
    (C(=O)O)OC(C)(C)C)C)CCN(C4)C[C@H]5C[C@H]
    5c6ccccc6; Cc1nc2CCN(C[CH]3C[CH]3c4ccccc
    4)Cc2c(c5cc(F)c6OCCCc6c5C)c1[CH](OC(C)(C
    )C)C(O)=O; Cc1c(cc(c2c1CCCO2)F)c3c4c(nc(
    c3C(C(=O)O)OC(C)(C)C)C)CCN(C4)CC5CC5c6cc
    ccc6
    27011 KJK
    CHEMBL4463697
    DB16338    		 5 C19 H28 B N3 O5 InChI=1S/C19H28BN3O5/c21-
    8-9-22-14-6-4-12(5-7-14)1
    0-17(24)23-16-11-13-2-1-3
    -15(19(25)26)18(13)28-20(
    16)27/h1-3,12,14,16,22,27
    H,4-11,21H2,(H,23,24)(H,2
    5,26)/t12-,14-,16-/m0/s1;
    PFZUWUXKQPRWAL-NOLJZWGESA-N    		 B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CC
    C(CC3)NCCN)O; NCCN[CH]1CC[CH](CC1)CC(=O)
    N[CH]2Cc3cccc(C(O)=O)c3OB2O; B1(C(Cc2ccc
    c(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O; N
    CCN[C@@H]1CC[C@H](CC1)CC(=O)N[C@H]2Cc3cc
    cc(C(O)=O)c3OB2O    		 (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
    27012 KJL
    CHEMBL241106
    ZINC000049946927    		 16 C42 H62 N2 O7 S InChI=1S/C42H62N2O7S/c1-2
    5(2)20-37(50-42(48)43-11)
    40-44-34(24-52-40)39-30(7
    )15-13-14-29(6)38(49-12)3
    3(10)35(45)19-17-26(3)21-
    28(5)22-32(9)36(46)23-27(
    4)16-18-31(8)41(47)51-39/
    h13-15,17-19,21-25,30,32-
    33,35-39,45-46H,16,20H2,1
    -12H3,(H,43,48)/b15-13+,1
    9-17+,26-21-,27-23+,28-22
    -,29-14+,31-18+/t30-,32-,
    33-,35+,36+,37-,38+,39-/m
    0/s1;
    CUYVVUGLFUIZAZ-YYRKZZGWSA-N    		 CNC(=O)O[C@@H](CC(C)C)c1scc(n1)[C@H]2OC(
    =O)/C(=C/C/C(=C/[C@@H](O)[C@@H](C)\C=C(C
    )/C=C(C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\
    C(=C\C=C\[C@@H]2C)C)C)C; CNC(=O)O[CH](CC
    (C)C)c1scc(n1)[CH]2OC(=O)C(=CCC(=C[CH](O
    )[CH](C)C=C(C)C=C(C)C=C[CH](O)[CH](C)[CH
    ](OC)C(=CC=C[CH]2C)C)C)C; C[C@H]1/C=C/C=
    C(/[C@H]([C@H]([C@@H](/C=C/C(=C\C(=C/[C@
    @H]([C@@H](/C=C(/C/C=C(/C(=O)O[C@@H]1c2c
    sc(n2)[C@H](CC(C)C)OC(=O)NC)\C)\C)O)C)\C
    )/C)O)C)OC)\C; O=C(OC(CC(C)C)c1nc(cs1)C1
    OC(=O)C(C)=CCC(C)=CC(O)C(C)C=C(C)C=C(C)C
    =CC(O)C(C)C(OC)C(C)=CC=CC1C)NC; CC1C=CC=
    C(C(C(C(C=CC(=CC(=CC(C(C=C(CC=C(C(=O)OC1
    c2csc(n2)C(CC(C)C)OC(=O)NC)C)C)O)C)C)C)O
    )C)OC)C    		 Archazolid A;
    (1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutyl methylcarbamate
    27013 KJM
    CHEMBL4560149    		 1 C11 H13 Cl N2 InChI=1S/C11H13ClN2/c12-9
    -4-1-3-8(7-9)11(10(13)14)
    5-2-6-11/h1,3-4,7H,2,5-6H
    2,(H3,13,14);
    XNPVOSOTFKAKIZ-UHFFFAOYSA-N    		 [H]/N=C(\C1(CCC1)c2cccc(c2)Cl)/N; NC(=N)
    C1(CCC1)c2cccc(Cl)c2; N\C(=N)C1(CCC1)c2c
    c(ccc2)Cl; c1cc(cc(c1)Cl)C2(CCC2)C(=N)N    		 1-(3-chlorophenyl)cyclobutane-1-carboximidamide
    27014 KJN 3 C12 H19 N2 O InChI=1S/C12H18N2O/c1-14(
    2)12(15)11(13)9-8-10-6-4-
    3-5-7-10/h3-7,11H,8-9,13H
    2,1-2H3/p+1/t11-/m1/s1;
    QEESVUFHIWOBTA-LLVKDONJSA-O    		 CN(C)C(=O)C(CCc1ccccc1)[NH3+]; CN(C)C(=O
    )[CH]([NH3+])CCc1ccccc1; CN(C)C(=O)[C@@H
    ](CCc1ccccc1)[NH3+]; CN(C)C(=O)[C@H]([NH
    3+])CCc1ccccc1    		 [(2~{R})-1-(dimethylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]azanium
    27015 KJO 1 C14 H12 N2 O InChI=1S/C14H12N2O/c1-11(
    12-6-5-9-15-10-12)14(17)1
    6-13-7-3-2-4-8-13/h2-10H,
    1H2,(H,16,17);
    SAMABBIQJZLRPK-UHFFFAOYSA-N    		 O=C(Nc1ccccc1)C(=C)c1cccnc1; C=C(C(=O)Nc
    1ccccc1)c2cccnc2; C=C(c1cccnc1)C(=O)Nc2c
    cccc2    		 N-phenyl-2-(pyridin-3-yl)prop-2-enamide
    27016 KJP
    CHEMBL4469869    		 4 C39 H39 Cl2 N5 O4 InChI=1S/C39H39Cl2N5O4/c1
    -20-15-26(16-21(2)35(20)4
    1)50-14-8-9-27-28-11-12-3
    0(40)34(33-23(4)42-44(7)2
    4(33)5)36(28)46-22(3)18-4
    5(38(47)37(27)46)32-19-43
    (6)31-13-10-25(39(48)49)1
    7-29(31)32/h10-13,15-17,1
    9,22H,8-9,14,18H2,1-7H3,(
    H,48,49)/t22-/m1/s1;
    BSAYHBZFNXDOIJ-JOCHJYFZSA-N    		 C[C@@H]1CN(C(=O)c2n1c3c(ccc(Cl)c3c4c(C)n
    n(C)c4C)c2CCCOc5cc(C)c(Cl)c(C)c5)c6cn(C)
    c7ccc(cc67)C(O)=O; Cc1cc(cc(c1Cl)C)OCCCc
    2c3ccc(c(c3n4c2C(=O)N(CC4C)c5cn(c6c5cc(c
    c6)C(=O)O)C)c7c(nn(c7C)C)C)Cl; Cc1cc(cc(
    c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(C[C@H]
    4C)c5cn(c6c5cc(cc6)C(=O)O)C)c7c(nn(c7C)C
    )C)Cl; C(Cc3c4n(c2c(c1c(n(C)nc1C)C)c(Cl)
    ccc23)C(C)CN(C4=O)c5cn(C)c6c5cc(cc6)C(O)
    =O)COc7cc(c(c(c7)C)Cl)C; C[CH]1CN(C(=O)c
    2n1c3c(ccc(Cl)c3c4c(C)nn(C)c4C)c2CCCOc5c
    c(C)c(Cl)c(C)c5)c6cn(C)c7ccc(cc67)C(O)=O    		 3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid
    27017 KJQ
    CHEMBL1172781
    ZINC000013646297    		 1 C26 H21 N3 O2 InChI=1S/C26H21N3O2/c30-1
    6-21(18-10-4-1-5-11-18)29
    -25-23-22(19-12-6-2-7-13-
    19)24(20-14-8-3-9-15-20)3
    1-26(23)28-17-27-25/h1-15
    ,17,21,30H,16H2,(H,27,28,
    29)/t21-/m1/s1;
    CCGBAJCQZPJWCS-OAQYLSRUSA-N    		 c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NC(CO)c
    5ccccc5; OC[CH](Nc1ncnc2oc(c3ccccc3)c(c4
    ccccc4)c12)c5ccccc5; c1ccc(cc1)c2c3c(ncn
    c3oc2c4ccccc4)N[C@H](CO)c5ccccc5; OC[C@@
    H](Nc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12)c5
    ccccc5; n1c(c2c(nc1)oc(c2c3ccccc3)c4cccc
    c4)NC(c5ccccc5)CO    		 (2S)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
    27018 KJR
    CHEMBL2347965
    ZINC000095604151    		 1 C28 H24 N4 O3 InChI=1S/C28H24N4O3/c1-18
    (34)31-22-14-8-13-21(15-2
    2)24-25-27(32-23(16-33)19
    -9-4-2-5-10-19)29-17-30-2
    8(25)35-26(24)20-11-6-3-7
    -12-20/h2-15,17,23,33H,16
    H2,1H3,(H,31,34)(H,29,30,
    32)/t23-/m1/s1;
    QTVUEQZXBRDKNW-HSZRJFAPSA-N    		 CC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)
    N[C@H](CO)c5ccccc5; CC(=O)Nc1cccc(c1)c2c
    3c(ncnc3oc2c4ccccc4)NC(CO)c5ccccc5; CC(=
    O)Nc1cccc(c1)c2c(oc3ncnc(N[CH](CO)c4cccc
    c4)c23)c5ccccc5; CC(=O)Nc1cccc(c1)c2c(oc
    3ncnc(N[C@H](CO)c4ccccc4)c23)c5ccccc5; O
    =C(Nc5cccc(c1c3c(ncnc3oc1c2ccccc2)NC(c4c
    cccc4)CO)c5)C    		 N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide
    27019 KJS
    CHEMBL3963965
    ZINC000498035579    		 4 C29 H36 N4 O3 InChI=1S/C29H36N4O3/c1-4-
    17-35-25-9-5-23(6-10-25)7
    -12-28-30-26-20-24(29-21(
    2)31-36-22(29)3)8-11-27(2
    6)33(28)14-13-32-15-18-34
    -19-16-32/h5-6,8-11,20H,4
    ,7,12-19H2,1-3H3;
    CGWBJJZOKGZCSJ-UHFFFAOYSA-N    		 c1c(ccc(c1)CCc4n(c2c(cc(cc2)c3c(noc3C)C)
    n4)CCN5CCOCC5)OCCC; CCCOc1ccc(cc1)CCc2nc
    3cc(ccc3n2CCN4CCOCC4)c5c(noc5C)C; CCCOc1
    ccc(CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(C)onc
    5C)cc1    		 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole
    27020 KJT 1 C44 H63 N4 O6 S InChI=1S/C44H63N4O6S/c1-3
    -47(4-2)40-18-16-38-29-42
    (43(49)30-39(38)27-40)44(
    50)45-20-23-53-25-26-54-2
    4-22-48(55(51,52)41-19-17
    -36-14-8-9-15-37(36)28-41
    )33-35-13-10-21-46(32-35)
    31-34-11-6-5-7-12-34/h5-9
    ,11-12,14-15,17,19,28,35,
    38-39,42,44-45,50H,3-4,10
    ,13,16,18,20-27,29-33H2,1
    -2H3/q+1/t35-,38?,39?,42?
    ,44?/m1/s1;
    NSZMSICZTXQEMY-KGDAMGMLSA-N    		 CC[N+](=C1CCC2CC(C(=O)CC2C1)C(NCCOCCOCCN
    (CC3CCCN(C3)Cc4ccccc4)S(=O)(=O)c5ccc6ccc
    cc6c5)O)CC; CC[N+](=C1CCC2CC(C(=O)CC2C1)
    C(NCCOCCOCCN(C[C@@H]3CCCN(C3)Cc4ccccc4)S
    (=O)(=O)c5ccc6ccccc6c5)O)CC; CC[N+](CC)=
    C1CCC2CC(C(O)NCCOCCOCCN(C[CH]3CCCN(C3)Cc
    4ccccc4)[S](=O)(=O)c5ccc6ccccc6c5)C(=O)C
    C2C1; CC[N+](CC)=C1CCC2CC(C(O)NCCOCCOCCN
    (C[C@@H]3CCCN(C3)Cc4ccccc4)[S](=O)(=O)c5
    ccc6ccccc6c5)C(=O)CC2C1    		 diethyl-[6-[[2-[2-[2-[naphthalen-2-ylsulfonyl-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]amino]ethoxy]ethoxy]ethylamino]-oxidanyl-methyl]-7-oxidanylidene-1,3,4,4~{a},5,6,8,8~{a}-octahydronaphthalen-2-ylidene]azanium
    27021 KJU
    ZINC000003764782    		 1 C8 H6 Cl N O2 InChI=1S/C8H6ClNO2/c9-5-1
    -2-7-6(3-5)10-8(11)4-12-7
    /h1-3H,4H2,(H,10,11);
    OBPIPKQQNRACHV-UHFFFAOYSA-N    		 Clc2ccc1OCC(=O)Nc1c2; Clc1ccc2OCC(=O)Nc2
    c1; c1cc2c(cc1Cl)NC(=O)CO2    		 6-chloro-2H-1,4-benzoxazin-3(4H)-one
    27022 KJV
    CHEMBL2347960
    ZINC000095602148    		 1 C32 H33 N5 O3 InChI=1S/C32H33N5O3/c1-37
    (2)18-10-17-27(39)35-25-1
    6-9-15-24(19-25)28-29-31(
    36-26(20-38)22-11-5-3-6-1
    2-22)33-21-34-32(29)40-30
    (28)23-13-7-4-8-14-23/h3-
    9,11-16,19,21,26,38H,10,1
    7-18,20H2,1-2H3,(H,35,39)
    (H,33,34,36)/t26-/m1/s1;
    KPTUKIAZZFDEOC-AREMUKBSSA-N    		 CN(C)CCCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4
    ccccc4)N[C@H](CO)c5ccccc5; CN(C)CCCC(=O)
    Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)NC(CO)
    c5ccccc5; CN(C)CCCC(=O)Nc1cccc(c1)c2c(oc
    3ncnc(N[CH](CO)c4ccccc4)c23)c5ccccc5; CN
    (C)CCCC(=O)Nc1cccc(c1)c2c(oc3ncnc(N[C@H]
    (CO)c4ccccc4)c23)c5ccccc5; O=C(Nc5cccc(c
    1c3c(ncnc3oc1c2ccccc2)NC(c4ccccc4)CO)c5)
    CCCN(C)C    		 4-(dimethylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide
    27023 KJW
    ZINC000001715388    		 0 C6 H13 N O3 InChI=1S/C6H13NO3/c1-3(2)
    5(8)4(7)6(9)10/h3-5,8H,7H
    2,1-2H3,(H,9,10)/t4-,5+/m
    1/s1;
    ZAYJDMWJYCTABM-UHNVWZDZSA-N    		 CC(C)[CH](O)[CH](N)C(O)=O; CC(C)[C@@H]([
    C@H](C(=O)O)N)O; CC(C)C(C(C(=O)O)N)O; CC
    (C)[C@H](O)[C@@H](N)C(O)=O    		 (d)3-hydroxy-Leucine
    27024 KJX
    CHEMBL4788348
    ZINC000006036327    		 1 C27 H46 O3 InChI=1S/C27H46O3/c1-17(7
    -6-12-25(2,3)30)20-8-9-21
    -24-22(11-14-27(20,21)5)2
    6(4)13-10-19(28)15-18(26)
    16-23(24)29/h16-17,19-24,
    28-30H,6-15H2,1-5H3/t17-,
    19+,20-,21+,22+,23-,24+,2
    6+,27-/m1/s1;
    BQMSKLCEWBSPPY-IKVTXIKFSA-N    		 CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2C(C=C4C3(C
    CC(C4)O)C)O)C; C[CH](CCCC(C)(C)O)[CH]1CC
    [CH]2[CH]3[CH](O)C=C4C[CH](O)CC[C]4(C)[C
    H]3CC[C]12C; CC(C)(O)CCCC(C)C1CCC2C3C(CC
    C12C)C1(C)CCC(O)CC1=CC3O; C[C@H](CCCC(C)
    (C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]
    2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C;
    C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3
    [C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC
    [C@]12C    		 (2S,4aS,4bS,7R,8S,8aS,9R,10aR)-7-[(2R,3R)-7-hydroxy-3,7-dimethyloctan-2-yl]-4a,7,8-trimethyltetradecahydrophenanthrene-2,9-diol
    27025 KJY
    CHEMBL448641
    ZINC000013484856    		 2 C9 H10 O3 InChI=1S/C9H10O3/c1-5-3-8
    (11)6(2)9(12)7(5)4-10/h3-
    4,11-12H,1-2H3;
    XOAAGSCMGLMPKG-UHFFFAOYSA-N    		 Cc1cc(c(c(c1C=O)O)C)O; Cc1cc(c(c(O)c1C=O
    )C)O; Cc1cc(O)c(C)c(O)c1C=O    		 2,4-dihydroxy-3,6-dimethylbenzaldehyde
    27026 KJZ
    CHEMBL1084868
    ZINC000049045725    		 4 C23 H20 Cl N3 O4 InChI=1S/C23H20ClN3O4/c24
    -19-10-3-4-11-20(19)26-21
    (28)12-13-22(29)27(15-23(
    30)31)25-14-17-8-5-7-16-6
    -1-2-9-18(16)17/h1-11,14H
    ,12-13,15H2,(H,26,28)(H,3
    0,31)/b25-14+;
    HHHUDHYQFQBYIZ-AFUMVMLFSA-N    		 OC(=O)CN(\N=C\c1cccc2ccccc12)C(=O)CCC(=O
    )Nc3ccccc3Cl; Clc3ccccc3NC(=O)CCC(=O)N(/
    N=C/c2c1ccccc1ccc2)CC(=O)O; c1ccc2c(c1)c
    ccc2/C=N/N(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3
    Cl; OC(=O)CN(N=Cc1cccc2ccccc12)C(=O)CCC(
    =O)Nc3ccccc3Cl; c1ccc2c(c1)cccc2C=NN(CC(
    =O)O)C(=O)CCC(=O)Nc3ccccc3Cl    		 [(2E)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid
    27027 KK0
    ZINC000057937578    		 3 C10 H10 Cl N O InChI=1S/C10H10ClNO/c11-8
    -3-1-7(2-4-8)9-5-6-10(13)
    12-9/h1-4,9H,5-6H2,(H,12,
    13)/t9-/m0/s1;
    BSYBLMDNOUEPRW-VIFPVBQESA-N    		 Clc1ccc(cc1)[C@@H]2CCC(=O)N2; c1cc(ccc1[
    C@@H]2CCC(=O)N2)Cl; Clc1ccc(cc1)[CH]2CCC
    (=O)N2; c1cc(ccc1C2CCC(=O)N2)Cl    		 (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one
    27028 KK1
    ZINC000098209079    		 18 C19 H28 N4 O InChI=1S/C19H28N4O/c1-3-4
    -5-6-7-8-13-21-18-14-17(2
    2-19(20)23-18)15-9-11-16(
    24-2)12-10-15/h9-12,14H,3
    -8,13H2,1-2H3,(H3,20,21,2
    2,23);
    HPTZTRACBOHBMX-UHFFFAOYSA-N    		 CCCCCCCCNc1cc(nc(N)n1)c2ccc(OC)cc2; n2c(
    c1ccc(OC)cc1)cc(nc2N)NCCCCCCCC; CCCCCCCC
    Nc1cc(nc(n1)N)c2ccc(cc2)OC    		 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine
    27029 KK2
    ZINC000098209080    		 20 C15 H15 F3 N4 O InChI=1S/C15H15F3N4O/c16-
    15(17,18)11-3-1-10(2-4-11
    )12-9-13(21-14(19)20-12)2
    2-5-7-23-8-6-22/h1-4,9H,5
    -8H2,(H2,19,20,21);
    XZLXJMNYYMKDDT-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(cc1)c3nc(nc(N2CCOCC2)c3)N;
    c1cc(ccc1c2cc(nc(n2)N)N3CCOCC3)C(F)(F)F
    ; Nc1nc(cc(n1)c2ccc(cc2)C(F)(F)F)N3CCOCC
    3    		 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
    27030 KK3
    ZINC000098209081    		 20 C17 H19 F3 N4 InChI=1S/C17H19F3N4/c1-11
    -6-8-24(9-7-11)15-10-14(2
    2-16(21)23-15)12-2-4-13(5
    -3-12)17(18,19)20/h2-5,10
    -11H,6-9H2,1H3,(H2,21,22,
    23);
    YZEUYKXNCFTYAI-UHFFFAOYSA-N    		 CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F
    )F; CC1CCN(CC1)c2cc(nc(N)n2)c3ccc(cc3)C(
    F)(F)F; FC(F)(F)c1ccc(cc1)c2nc(nc(c2)N3C
    CC(CC3)C)N    		 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
    27031 KK4
    CHEMBL4278109    		 1 C30 H28 N4 O3 InChI=1S/C30H28N4O3/c1-4-
    8-26-31-28-18(2)9-7-11-24
    (28)34(26)16-20-13-14-22-
    21(15-20)17-36-25-12-6-5-
    10-23(25)27(22)19(3)29-32
    -30(35)37-33-29/h5-7,9-15
    H,4,8,16-17H2,1-3H3,(H,32
    ,33,35)/b27-19+;
    KWALRLFFHWLMRU-ZXVVBBHZSA-N    		 O=C1ON=C(N1)\C(=C2/c4c(COc3c2cccc3)cc(cc
    4)Cn5c(CCC)nc6c5cccc6C)C; CCCc1nc2c(cccc
    2n1Cc3ccc4c(c3)COc5ccccc5C4=C(C)C6=NOC(=
    O)N6)C; CCCc1nc2c(cccc2n1Cc3ccc\4c(c3)CO
    c5ccccc5/C4=C(\C)/C6=NOC(=O)N6)C; CCCc1n
    c2c(C)cccc2n1Cc3ccc4c(COc5ccccc5C4=C(C)C
    6=NOC(=O)N6)c3; CCCc1nc2c(C)cccc2n1Cc3cc
    c4c(COc5ccccc5/C4=C(C)/C6=NOC(=O)N6)c3    		 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one
    27032 KK5 1 O39 P W11 Zn InChI=1S/O4P.35O.11W.Zn/c
    1-5(2,3)4;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;
    BVCBSAVAGUJLPX-UHFFFAOYSA-N    		 O=[W]1234O[Zn]56O[W]78(=O)(O1)O2P91=O2%1
    0=[W]%11%12(=O[W]22%13(=O)O[W]%10(=O)(O7
    )(O%11)O[W]7%10(=O)(O8)O98[W]9(=O)(O5)(O
    7)O[W]57(=O)(O6)O11[W](=O)(O3)(O5)(O%12)
    O[W]1(=O)(O7)(O2)O[W]8(=O)(O9)(O%13)O%10
    )(=O)O4; O=[W]123O[Zn]45O[W]67(=O)(O[P-]
    89[O]%10%11[W]%12%13(=O)O[W]%14%15%16(=O
    )O[W]%17%18(=O)(O4)O[W]%19%20(=O)(O5)O[W
    ]%21(=O)(O%12)(O%14)O[W](=O)(O6)(O%19)(O
    [W]%10(=O)(O%13)(O7)O[W+]%11(=O)(=O)(O1)
    O[W](=O)(O2)(O%17)(O%15)[O]8%16%18)[O]9%
    20%21)O3; O=[W]1234O[Zn]56O[W]78(=O)(O1)
    O2[P@@]91=O2%10=[W]%11%12(=O[W]22%13(=O)
    O[W]%10(=O)(O7)(O%11)O[W]7%10(=O)(O8)O98
    [W]9(=O)(O5)(O7)O[W]57(=O)(O6)O11[W](=O)
    (O3)(O5)(O%12)O[W]1(=O)(O7)(O2)O[W]8(=O)
    (O9)(O%13)O%10)(=O)O4; O=[W]123O[Zn]45O[
    W]67(=O)(O[P@-]89[O]%10%11[W]%12%13(=O)O
    [W]%14%15%16(=O)O[W]%17%18(=O)(O4)O[W]%1
    9%20(=O)(O5)O[W]%21(=O)(O%12)(O%14)O[W](
    =O)(O6)(O%19)(O[W]%10(=O)(O%13)(O7)O[W+]
    %11(=O)(=O)(O1)O[W](=O)(O2)(O%17)(O%15)[
    O]8%16%18)[O]9%20%21)O3    		 Zn-substituted alpha-Keggin
    27033 KK6
    CHEMBL5206668    		 1 C31 H29 F N6 O3 InChI=1S/C31H29FN6O3/c1-4
    0-28-14-24-26(15-29(28)41
    -2)34-19-35-30(24)36-11-9
    -20(10-12-36)17-37-18-21-
    5-3-4-6-27(21)38(31(37)39
    )23-7-8-25(32)22(13-23)16
    -33/h3-8,13-15,19-20H,9-1
    2,17-18H2,1-2H3;
    STWRRCLLHUNQOS-UHFFFAOYSA-N    		 COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5cccc
    c5N(C4=O)c6ccc(c(c6)C#N)F; COc1cc2ncnc(N
    3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(F)c(c6
    )C#N)c2cc1OC    		 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile
    27034 KK7
    ZINC000031125080    		 2 C15 H13 N5 O InChI=1S/C15H13N5O/c1-20-
    10-17-19-14(20)11-5-4-6-1
    2(9-11)18-15(21)13-7-2-3-
    8-16-13/h2-10H,1H3,(H,18,
    21);
    KMUXXLWWJGMJFW-UHFFFAOYSA-N    		 Cn1cnnc1c2cccc(c2)NC(=O)c3ccccn3; Cn1cnn
    c1c2cccc(NC(=O)c3ccccn3)c2; c3nc(C(Nc2cc
    (c1n(cnn1)C)ccc2)=O)ccc3    		 N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
    27035 KK8 2 C22 H18 N6 O InChI=1S/C22H18N6O/c29-22
    (20-12-15(8-10-24-20)17-4
    -2-9-23-13-17)26-18-5-1-3
    -16(11-18)21-27-25-14-28(
    21)19-6-7-19/h1-5,8-14,19
    H,6-7H2,(H,26,29);
    SZZKJPNBENKCOL-UHFFFAOYSA-N    		 c1cc(cc(c1)NC(=O)c2cc(ccn2)c3cccnc3)c4nn
    cn4C5CC5; O=C(Nc1cccc(c1)c2nncn2C3CC3)c4
    cc(ccn4)c5cccnc5; N(c3cc(c1nncn1C2CC2)cc
    c3)C(c4nccc(c4)c5cnccc5)=O    		 N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
    27036 KK9 4 C16 H16 Cl N O2 InChI=1S/C16H16ClNO2/c1-3
    -16(19)18-13-7-4-11(2)15(
    10-13)20-14-8-5-12(17)6-9
    -14/h4-10H,3H2,1-2H3,(H,1
    8,19);
    BKDZWIAMJCUKRZ-UHFFFAOYSA-N    		 CCC(=O)Nc1ccc(c(c1)Oc2ccc(cc2)Cl)C; CCC(
    =O)Nc1ccc(C)c(Oc2ccc(Cl)cc2)c1    		 N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide
    27037 KKA
    ZINC000098209082    		 1 C10 H18 N2 O5 S InChI=1S/C10H18N2O5S/c11-
    6(9(14)15)2-1-3-8(13)12-7
    (4-5-18)10(16)17/h6-7,18H
    ,1-5,11H2,(H,12,13)(H,14,
    15)(H,16,17)/t6-,7-/m0/s1;
    SDIJIFRHLPSENI-BQBZGAKWSA-N    		 N[C@@H](CCCC(=O)N[C@@H](CCS)C(O)=O)C(O)=
    O; C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CCS)
    C(=O)O; C(CC(C(=O)O)N)CC(=O)NC(CCS)C(=O)
    O; O=C(NC(C(=O)O)CCS)CCCC(C(=O)O)N; N[CH
    ](CCCC(=O)N[CH](CCS)C(O)=O)C(O)=O    		 (2S)-2-azanyl-6-oxidanylidene-6-[[(2S)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid
    27038 KKB
    CHEMBL230158
    DB12390
    ZINC000028704627    		 4 C21 H23 F3 O5 S InChI=1S/C21H23F3O5S/c1-3
    -27-17(11-28-16-6-4-15(5-
    7-16)21(22,23)24)13-30-18
    -8-9-19(14(2)10-18)29-12-
    20(25)26/h4-10,17H,3,11-1
    3H2,1-2H3,(H,25,26)/t17-/
    m1/s1;
    JWHYSEDOYMYMNM-QGZVFWFLSA-N    		 CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc2ccc(c(
    c2)C)OCC(=O)O; CCOC(COc1ccc(cc1)C(F)(F)F
    )CSc2ccc(c(c2)C)OCC(=O)O; CCO[CH](COc1cc
    c(cc1)C(F)(F)F)CSc2ccc(OCC(O)=O)c(C)c2;
    CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc2ccc(OC
    C(O)=O)c(C)c2    		 Seladelpar
    27039 KKC 1 C37 H25 F4 Ir N5 O2 InChI=1S/C15H13N3O2.2C11H
    6F2N.Ir/c19-14-6-7-15(20)
    18(14)10-11-4-5-13(17-9-1
    1)12-3-1-2-8-16-12;2*12-8
    -4-5-9(10(13)7-8)11-3-1-2
    -6-14-11;/h1-5,8-9H,6-7,1
    0H2;2*1-4,6-7H;/q;;;+3;
    QUFXSILAYVLQGU-UHFFFAOYSA-N    		 c1c(cc2c(c1F)C3=CC=CC=[N]3[Ir+3]245(c6cc
    (cc(c6C7=CC=CC=[N]47)F)F)[N]8=C(C=CC=C8)
    C9=[N]5C=C(C=C9)CN1C(=O)CCC1=O)F; Fc1cc(
    F)c(c([Ir+3]c2cc(F)cc(F)c2c3ccccn3)c1)c4
    ccccn4.O=C5CCC(=O)N5Cc6ccc(nc6)c7ccccn7    		 delta-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III)
    27040 KKD
    CHEMBL1162494
    ZINC000002446417    		 0 C6 H9 N O5 InChI=1S/C6H9NO5/c1-3(8)7
    -4(6(11)12)2-5(9)10/h4H,2
    H2,1H3,(H,7,8)(H,9,10)(H,
    11,12)/t4-/m0/s1;
    OTCCIMWXFLJLIA-BYPYZUCNSA-N    		 CC(=O)N[CH](CC(O)=O)C(O)=O; CC(=O)N[C@@H
    ](CC(O)=O)C(O)=O; N(C(C)=O)C(C(=O)O)CC(=
    O)O; CC(=O)N[C@@H](CC(=O)O)C(=O)O; CC(=O
    )NC(CC(=O)O)C(=O)O    		 N-acetyl-L-aspartic acid
    27041 KKE 1 C14 H14 B N2 O3 S InChI=1S/C14H14BN2O3S/c18
    -15(19)13-8-12(7-6-10(13)
    9-20-15)17-14(21)16-11-4-
    2-1-3-5-11/h1-8,18-19H,9H
    2,(H2,16,17,21)/q+1;
    VRVPPCOJDHKCRT-UHFFFAOYSA-N    		 [B+]1(c2cc(ccc2CO1)NC(=S)Nc3ccccc3)(O)O;
    O[B+]1(O)OCc2ccc(NC(=S)Nc3ccccc3)cc12    		 1-[1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea
    27042 KKF
    ZINC000616573530    		 1 C23 H21 Cl3 N2 O3 InChI=1S/C23H21Cl3N2O3/c2
    4-18-5-1-16(2-6-18)4-8-21
    (29)27-11-9-23(10-12-27)1
    5-28(22(30)31-23)14-17-3-
    7-19(25)20(26)13-17/h1-8,
    13H,9-12,14-15H2/b8-4+;
    RDDLWMWIRXGSJM-XBXARRHUSA-N    		 Clc1ccc(cc1)/C=C/C(=O)N1CCC2(CC1)CN(Cc1c
    cc(Cl)c(Cl)c1)C(=O)O2; Clc1ccc(cc1)C=CC(
    =O)N2CCC3(CC2)CN(Cc4ccc(Cl)c(Cl)c4)C(=O)
    O3; Clc1ccc(cc1)\C=C\C(=O)N2CCC3(CC2)CN(
    Cc4ccc(Cl)c(Cl)c4)C(=O)O3; c1cc(ccc1C=CC
    (=O)N2CCC3(CC2)CN(C(=O)O3)Cc4ccc(c(c4)Cl
    )Cl)Cl; c1cc(ccc1/C=C/C(=O)N2CCC3(CC2)CN
    (C(=O)O3)Cc4ccc(c(c4)Cl)Cl)Cl    		 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
    27043 KKG
    CHEMBL1471153
    ZINC000000141049    		 2 C10 H8 N2 O3 InChI=1S/C10H8N2O3/c13-9(
    14)5-12-6-11-8-4-2-1-3-7(
    8)10(12)15/h1-4,6H,5H2,(H
    ,13,14);
    BBBICQPTZBHLBM-UHFFFAOYSA-N    		 OC(=O)CN1C=Nc2ccccc2C1=O; c1ccc2c(c1)C(=
    O)N(C=N2)CC(=O)O; C(CN1C=Nc2c(C1=O)cccc2
    )(O)=O    		 (4-oxoquinazolin-3(4H)-yl)acetic acid
    27044 KKH 1 C14 H14 B N2 O4 InChI=1S/C14H14BN2O4/c18-
    14(16-11-4-2-1-3-5-11)17-
    12-7-6-10-9-21-15(19,20)1
    3(10)8-12/h1-8,19-20H,9H2
    ,(H2,16,17,18);
    OKIGMHNAUDFPPL-UHFFFAOYSA-N    		 B1(c2cc(ccc2CO1)NC(=O)Nc3ccccc3)(O)O; O[
    B]1(O)OCc2ccc(NC(=O)Nc3ccccc3)cc12    		 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea
    27045 KKI
    CHEMBL5208116    		 3 C21 H23 N5 O InChI=1S/C21H23N5O/c22-14
    -17-7-4-8-23-20(17)25-9-1
    1-26(12-10-25)21(27)19-13
    -18(15-24-19)16-5-2-1-3-6
    -16/h1-8,18-19,24H,9-13,1
    5H2/t18-,19-/m1/s1;
    ZOCRTPMGIHWFKT-RTBURBONSA-N    		 O=C([CH]1C[CH](CN1)c2ccccc2)N3CCN(CC3)c4
    ncccc4C#N; c1ccc(cc1)[C@@H]2C[C@@H](NC2)
    C(=O)N3CCN(CC3)c4c(cccn4)C#N; O=C([C@H]1
    C[C@H](CN1)c2ccccc2)N3CCN(CC3)c4ncccc4C#
    N; c1ccc(cc1)C2CC(NC2)C(=O)N3CCN(CC3)c4c
    (cccn4)C#N    		 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile
    27046 KKJ
    ZINC000095921218    		 2 C15 H30 O3 InChI=1S/C15H30O3/c1-3-5-
    7-9-11-13(15(17)18)14(16)
    12-10-8-6-4-2/h13-14,16H,
    3-12H2,1-2H3,(H,17,18)/t1
    3-,14+/m0/s1;
    PYEZBVJKCMJWAK-UONOGXRCSA-N    		 CCCCCCC(C(CCCCCC)O)C(=O)O; O=C(O)C(CCCCC
    C)C(O)CCCCCC; CCCCCC[C@@H]([C@@H](CCCCCC
    )O)C(=O)O; CCCCCC[CH](O)[CH](CCCCCC)C(O)
    =O; CCCCCC[C@@H](O)[C@H](CCCCCC)C(O)=O    		 (2S,3R)-2-hexyl-3-hydroxynonanoic acid
    27047 KKK
    CHEMBL75
    ZINC000000643138    		 6 C26 H28 Cl2 N4 O4 InChI=1S/C26H28Cl2N4O4/c1
    -19(33)31-10-12-32(13-11-
    31)21-3-5-22(6-4-21)34-15
    -23-16-35-26(36-23,17-30-
    9-8-29-18-30)24-7-2-20(27
    )14-25(24)28/h2-9,14,18,2
    3H,10-13,15-17H2,1H3/t23-
    ,26-/m0/s1;
    XMAYWYJOQHXEEK-OZXSUGGESA-N    		 CC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn
    4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2; CC(=O)N1C
    CN(CC1)c2ccc(OC[CH]3CO[C](Cn4ccnc4)(O3)c
    5ccc(Cl)cc5Cl)cc2; CC(=O)N1CCN(CC1)c2ccc
    (cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(c
    c5Cl)Cl; CC(=O)N1CCN(CC1)c2ccc(cc2)OCC3C
    OC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl    		 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
    27048 KKL 0 C17 H12 N4 O2 InChI=1S/C17H12N4O2/c1-2-
    11-3-5-13(6-4-11)16-20-21
    -17(23-16)19-15(22)12-7-9
    -14(18)10-8-12/h1,3-10H,1
    8H2,(H,19,21,22);
    FIEDYLNUYGEAJG-UHFFFAOYSA-N    		 c1cc(ccc1C(Nc3nnc(c2ccc(cc2)C#C)o3)=O)N;
    C#Cc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)N
    ; Nc1ccc(cc1)C(=O)Nc2oc(nn2)c3ccc(cc3)C#
    C    		 4-amino-N-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
    27049 KKM
    CHEMBL4084664    		 2 C16 H16 N4 O3 InChI=1S/C16H16N4O3/c1-10
    (9-21)18-16(23)12-8-17-20
    -14(22)7-13(19-15(12)20)1
    1-5-3-2-4-6-11/h2-8,10,21
    -22H,9H2,1H3,(H,18,23)/t1
    0-/m0/s1;
    HXHYZXUIKFXLHE-JTQLQIEISA-N    		 C[C@@H](CO)NC(=O)c1cnn2c1nc(cc2O)c3ccccc
    3; CC(CO)NC(=O)c1cnn2c1nc(cc2O)c3ccccc3;
    C[CH](CO)NC(=O)c1cnn2c(O)cc(nc12)c3cccc
    c3; c1ccccc1c3cc(O)n2c(c(cn2)C(NC(CO)C)=
    O)n3; C[C@@H](CO)NC(=O)c1cnn2c(O)cc(nc12
    )c3ccccc3    		 7-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
    27050 KKN
    ZINC000004204274    		 3 C8 H6 O3 InChI=1S/C8H6O3/c1-5-6-2-
    3-10-4-7(6)11-8(5)9/h2-4H
    ,1H3;
    JUTMAMXOAOYKHT-UHFFFAOYSA-N    		 CC1=C2C=COC=C2OC1=O; O=C2OC1=COC=CC1=C2C 3-methyl-2H-furo[2,3-c]pyran-2-one;
    Karrikin KAR1
    27051 KKO 4 C23 H22 Cl2 N4 O3 S InChI=1S/C23H22Cl2N4O3S/c
    1-32-21-6-7-26-13-17(21)2
    3(31)28-8-9-29(15-4-5-18(
    24)19(25)11-15)20(14-28)2
    2(30)27-12-16-3-2-10-33-1
    6/h2-7,10-11,13,20H,8-9,1
    2,14H2,1H3,(H,27,30)/t20-
    /m0/s1;
    XAKMNISRDIXWHA-FQEVSTJZSA-N    		 COc1ccncc1C(=O)N2CCN([C@@H](C2)C(=O)NCc3
    cccs3)c4ccc(c(c4)Cl)Cl; COc1ccncc1C(=O)N
    2CCN(C(C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)C
    l; COc1ccncc1C(=O)N2CCN([CH](C2)C(=O)NCc
    3sccc3)c4ccc(Cl)c(Cl)c4; COc1ccncc1C(=O)
    N2CCN([C@@H](C2)C(=O)NCc3sccc3)c4ccc(Cl)
    c(Cl)c4    		 (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
    27052 KKP
    CHEMBL4085628    		 2 C14 H12 N4 O2 InChI=1S/C14H12N4O2/c1-15
    -14(20)10-8-16-18-12(19)7
    -11(17-13(10)18)9-5-3-2-4
    -6-9/h2-8,19H,1H3,(H,15,2
    0);
    RUSORFYZKCLNDR-UHFFFAOYSA-N    		 CNC(=O)c1cnn2c1nc(cc2O)c3ccccc3; c3c(c2c
    c(O)n1c(c(cn1)C(NC)=O)n2)cccc3; CNC(=O)c
    1cnn2c(O)cc(nc12)c3ccccc3    		 7-hydroxy-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
    27053 KKQ
    CHEMBL5189300    		 4 C25 H22 Br F N4 O InChI=1S/C25H22BrFN4O/c26
    -19-10-8-18(9-11-19)24-22
    (31-12-4-3-7-23(31)28-24)
    17-29-13-15-30(16-14-29)2
    5(32)20-5-1-2-6-21(20)27/
    h1-12H,13-17H2;
    NABAWQRCDXXOMF-UHFFFAOYSA-N    		 Fc1ccccc1C(=O)N2CCN(CC2)Cc3n4ccccc4nc3c5
    ccc(Br)cc5; c1ccc(c(c1)C(=O)N2CCN(CC2)Cc
    3c(nc4n3cccc4)c5ccc(cc5)Br)F    		 [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
    27054 KKR
    CHEMBL2316958
    ZINC000095593683    		 1 C30 H35 N7 O3 S InChI=1S/C30H35N7O3S/c1-2
    0(2)16-21(38)6-7-27(39)36
    -10-8-35(9-11-36)19-22-17
    -26-28(41-22)30(37-12-14-
    40-15-13-37)33-29(32-26)2
    3-4-3-5-25-24(23)18-31-34
    -25/h3-5,16-18H,6-15,19H2
    ,1-2H3,(H,31,34);
    DLNUPKDFXMWRFP-UHFFFAOYSA-N    		 CC(=CC(=O)CCC(=O)N1CCN(CC1)Cc2cc3c(s2)c(
    nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6)C; CC(C)
    =CC(=O)CCC(=O)N1CCN(CC1)Cc2sc3c(c2)nc(nc
    3N4CCOCC4)c5cccc6[nH]ncc56; O=C(\C=C(/C)
    C)CCC(=O)N1CCN(CC1)Cc3sc2c(nc(nc2c3)c5cc
    cc4nncc45)N6CCOCC6    		 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione;
    1-[4-[[2-(1H-indazol-4-yl)-4-morpholinthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4-dione
    27055 KKS 1 C23 H17 N5 O2 InChI=1S/C23H17N5O2/c29-2
    0-13-18(12-17-6-3-5-14-4-
    1-2-7-19(14)17)21(24-23(2
    0)30)15-8-10-16(11-9-15)2
    2-25-27-28-26-22/h1-11,13
    ,29H,12H2,(H,24,30)(H,25,
    26,27,28);
    PRYYFLRFRLBODL-UHFFFAOYSA-N    		 c5cc4cccc(CC=1C=C(O)C(NC=1c2ccc(cc2)c3nn
    nn3)=O)c4cc5; c1ccc2c(c1)cccc2CC3=C(NC(=
    O)C(=C3)O)c4ccc(cc4)c5[nH]nnn5; OC1=CC(=
    C(NC1=O)c2ccc(cc2)c3[nH]nnn3)Cc4cccc5ccc
    cc45    		 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one
    27056 KKT
    ZINC000095921227    		 4 C16 H22 N4 O4 S InChI=1S/C16H22N4O4S/c1-3
    -4-10-25(23,24)19(2)13-14
    (17)20(16(22)18-15(13)21)
    11-12-8-6-5-7-9-12/h5-9H,
    3-4,10-11,17H2,1-2H3,(H,1
    8,21,22);
    ILRSJTONHWLJFH-UHFFFAOYSA-N    		 CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2cc
    ccc2)N; CCCC[S](=O)(=O)N(C)C1=C(N)N(Cc2c
    cccc2)C(=O)NC1=O; O=S(=O)(N(C1=C(N)N(C(=
    O)NC1=O)Cc2ccccc2)C)CCCC    		 N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbutane-1-sulfonamide
    27057 KKU
    CHEMBL5191295    		 8 C10 H17 N3 InChI=1S/C10H17N3/c1-8-6-
    9(4-3-5-12-2)13-10(11)7-8
    /h6-7,12H,3-5H2,1-2H3,(H2
    ,11,13);
    MOHLCKRYTZYOGZ-UHFFFAOYSA-N    		 CNCCCc1cc(C)cc(N)n1; Cc1cc(nc(c1)N)CCCNC
    ; Cc1cc(CCCNC)nc(N)c1    		 4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine
    27058 KKV
    CHEMBL4760535    		 1 C18 H12 F N O4 InChI=1S/C18H12FNO4/c19-1
    3-7-5-11(6-8-13)16-14(9-1
    5(21)17(22)20-16)10-1-3-1
    2(4-2-10)18(23)24/h1-9,21
    H,(H,20,22)(H,23,24);
    ZTIFGKNOJZNMHX-UHFFFAOYSA-N    		 c1cc(ccc1C2=C(NC(=O)C(=C2)O)c3ccc(cc3)F)
    C(=O)O; OC(=O)c1ccc(cc1)C2=C(NC(=O)C(=C2
    )O)c3ccc(F)cc3; O=C2C(O)=CC(c1ccc(cc1)C(
    =O)O)=C(N2)c3ccc(cc3)F    		 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid
    27059 KKW
    CHEMBL5199411    		 3 C22 H23 Cl N4 O S InChI=1S/C22H23ClN4OS/c23
    -18-3-1-2-16(12-18)17-13-
    19(25-14-17)22(28)27-9-7-
    26(8-10-27)21-20-15(4-6-2
    4-21)5-11-29-20/h1-6,11-1
    2,17,19,25H,7-10,13-14H2/
    t17-,19-/m1/s1;
    YMNUWCFQVRYQGA-IEBWSBKVSA-N    		 Clc1cccc(c1)[CH]2CN[CH](C2)C(=O)N3CCN(CC
    3)c4nccc5ccsc45; Clc1cccc(c1)[C@H]2CN[C@
    H](C2)C(=O)N3CCN(CC3)c4nccc5ccsc45; c1cc
    (cc(c1)Cl)[C@@H]2C[C@@H](NC2)C(=O)N3CCN(
    CC3)c4c5c(ccn4)ccs5; c1cc(cc(c1)Cl)C2CC(
    NC2)C(=O)N3CCN(CC3)c4c5c(ccn4)ccs5    		 [(2~{R},4~{S})-4-(3-chlorophenyl)pyrrolidin-2-yl]-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)methanone
    27060 KKX 3 C17 H28 N3 O10 P InChI=1S/C17H28N3O10P/c1-
    9-16(24)12(11(5-18-9)8-30
    -31(27,28)29)6-19-14(7-21
    )15(23)4-3-13(17(25)26)20
    -10(2)22/h5,13-15,19,21,2
    3-24H,3-4,6-8H2,1-2H3,(H,
    20,22)(H,25,26)(H2,27,28,
    29)/t13-,14-,15-/m0/s1;
    FNGADGGFBAIBRP-KKUMJFAQSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)[C@
    H](CC[C@@H](C(=O)O)NC(=O)C)O)O; CC(=O)N[
    CH](CC[CH](O)[CH](CO)NCc1c(O)c(C)ncc1CO[
    P](O)(O)=O)C(O)=O; Cc1c(c(c(cn1)COP(=O)(
    O)O)CNC(CO)C(CCC(C(=O)O)NC(=O)C)O)O; CC(
    =O)N[C@@H](CC[C@H](O)[C@H](CO)NCc1c(O)c(
    C)ncc1CO[P](O)(O)=O)C(O)=O    		 (2~{S},5~{S},6~{S})-2-acetamido-6-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5,7-bis(oxidanyl)heptanoic acid;
    PLP-(5S,6S)-N2-acetyl-DADH
    27061 KKY
    CHEMBL4521220    		 2 C21 H28 F N3 InChI=1S/C21H28FN3/c1-15-
    10-19(24-21(23)11-15)7-5-
    16-12-17(14-18(22)13-16)6
    -8-20-4-3-9-25(20)2/h10-1
    4,20H,3-9H2,1-2H3,(H2,23,
    24)/t20-/m1/s1;
    LLEZATCTDGWSJC-HXUWFJFHSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCC
    N3C; Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CC
    CN3C; CN1CCC[C@@H]1CCc2cc(F)cc(CCc3cc(C)
    cc(N)n3)c2; c3(cc(CCC1N(CCC1)C)cc(CCc2cc
    (cc(N)n2)C)c3)F; CN1CCC[CH]1CCc2cc(F)cc(
    CCc3cc(C)cc(N)n3)c2    		 6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    27062 KKZ
    CHEMBL5172358    		 4 C25 H21 Cl F3 N5 O2 InChI=1S/C25H21ClF3N5O2/c
    26-18-9-7-17(8-10-18)23-2
    0(34-11-2-1-5-21(34)31-23
    )16-32-12-14-33(15-13-32)
    24(35)19-4-3-6-22(30-19)3
    6-25(27,28)29/h1-11H,12-1
    6H2;
    SIFMANNOUHDCIV-UHFFFAOYSA-N    		 c1ccn2c(c1)nc(c2CN3CCN(CC3)C(=O)c4cccc(n
    4)OC(F)(F)F)c5ccc(cc5)Cl; FC(F)(F)Oc1ccc
    c(n1)C(=O)N2CCN(CC2)Cc3n4ccccc4nc3c5ccc(
    Cl)cc5    		 [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
    27063 KL0
    CHEMBL5189279    		 9 C11 H19 N3 InChI=1S/C11H19N3/c1-9-7-
    10(13-11(12)8-9)5-4-6-14(
    2)3/h7-8H,4-6H2,1-3H3,(H2
    ,12,13);
    UOGCIQPLIAZGRO-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)CCCN(C)C; Cc1cc(CCCN(C)C)n
    c(N)c1; CN(C)CCCc1cc(C)cc(N)n1    		 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine
    27064 KL1
    CHEMBL4440481    		 4 C19 H25 F2 N3 InChI=1S/C19H25F2N3/c1-13
    -9-16(23-18(22)10-13)7-6-
    15-11-14(5-4-8-24(2)3)12-
    17(20)19(15)21/h9-12H,4-8
    H2,1-3H3,(H2,22,23);
    IOUZWWFXRZKIKT-UHFFFAOYSA-N    		 CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1
    ; c2(CCc1cc(C)cc(n1)N)cc(CCCN(C)C)cc(c2F
    )F; Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C
    )C    		 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine
    27065 KL2 1 C10 H14 N5 O7 V InChI=1S/C10H11N5O4.3H2O.
    V/c11-8-5-9(13-2-12-8)15(
    3-14-5)10-7(18)6(17)4(1-1
    6)19-10;;;;/h2-4,6-7,10,1
    6H,1H2,(H2,11,12,13);3*1H
    2;/q-2;;;;+5/p-3/t4-,6-,7
    -,10-;;;;/m1..../s1;
    VVVFQERUKYCTSH-KWIZKVQNSA-K    		 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@H]4O
    [V](O)(O)(O)O[C@@H]34; c1nc(c2c(n1)n(cn2
    )C3C4C(C(O3)CO)O[V](O4)(O)(O)O)N; c1nc(c
    2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)
    CO)O[V](O4)(O)(O)O)N; Nc1ncnc2n(cnc12)[C
    H]3O[CH](CO)[CH]4O[V](O)(O)(O)O[CH]34    		 adenosine-2',3'-vanadate;
    [(1~{R},5~{R},6~{R},8~{R})-8-(6-aminopurin-9-yl)-3,3,3-tris(oxidanyl)-2,4,7-trioxa-3$l^{5}-vanadabicyclo[3.3.0]octan-6-yl]methanol
    27066 KL3 1 C17 H15 Cl O2 InChI=1S/C17H15ClO2/c18-1
    4-8-6-11(7-9-14)13-5-4-12
    -2-1-3-15(17(19)20)16(12)
    10-13/h4-10,15H,1-3H2,(H,
    19,20)/t15-/m1/s1;
    HMSUYCUFTVOQJG-OAHLLOKOSA-N    		 OC(=O)[CH]1CCCc2ccc(cc12)c3ccc(Cl)cc3; c
    1cc(ccc1c2ccc3c(c2)C(CCC3)C(=O)O)Cl; OC(
    =O)[C@H]1CCCc2ccc(cc12)c3ccc(Cl)cc3; Clc
    1ccc(cc1)c1ccc2CCCC(c2c1)C(=O)O; c1cc(cc
    c1c2ccc3c(c2)[C@H](CCC3)C(=O)O)Cl    		 (1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
    27067 KL4
    CHEMBL4562481    		 13 C20 H26 F N3 InChI=1S/C20H26FN3/c1-14-
    9-19(24-20(22)10-14)7-5-1
    6-11-15(12-17(21)13-16)4-
    6-18-3-2-8-23-18/h9-13,18
    ,23H,2-8H2,1H3,(H2,22,24)
    /t18-/m1/s1;
    PTOVOAJZRWYLQM-GOSISDBHSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCC
    N3; Cc1cc(N)nc(CCc2cc(F)cc(CC[C@H]3CCCN3
    )c2)c1; c1(nc(cc(c1)C)CCc2cc(cc(c2)F)CCC
    3NCCC3)N; Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C
    CC3CCCN3; Cc1cc(N)nc(CCc2cc(F)cc(CC[CH]3
    CCCN3)c2)c1    		 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    27068 KL5 1 C15 H16 B N2 O3 S InChI=1S/C15H16BN2O3S/c19
    -16(20)14-8-13(7-6-12(14)
    10-21-16)18-15(22)17-9-11
    -4-2-1-3-5-11/h1-8,19-20H
    ,9-10H2,(H2,17,18,22)/q-1;
    PURMMQOEOOZDEQ-UHFFFAOYSA-N    		 [B-]1(c2cc(ccc2CO1)NC(=S)NCc3ccccc3)(O)O
    ; O[B-]1(O)OCc2ccc(NC(=S)NCc3ccccc3)cc12    		 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea
    27069 KL6 1 C12 H19 N3 O4 S2 InChI=1S/C12H19N3O4S2/c1-
    20(16,17)14-6-8-15-7-2-3-
    10-4-5-11(9-12(10)15)21(1
    3,18)19/h4-5,9,14H,2-3,6-
    8H2,1H3,(H2,13,18,19);
    QNNCYWWAACHETJ-UHFFFAOYSA-N    		 CS(=O)(=O)NCCN1CCCc2c1cc(cc2)S(=O)(=O)N;
    C[S](=O)(=O)NCCN1CCCc2ccc(cc12)[S](N)(=
    O)=O; NS(=O)(=O)c1ccc2CCCN(CCNS(C)(=O)=O
    )c2c1    		 1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide
    27070 KL7
    CHEMBL4578540    		 8 C19 H25 F2 N3 InChI=1S/C19H25F2N3/c1-13
    -11-15(23-18(22)12-13)7-8
    -16-17(20)9-6-14(19(16)21
    )5-4-10-24(2)3/h6,9,11-12
    H,4-5,7-8,10H2,1-3H3,(H2,
    22,23);
    MXQLPMXQTGKLHB-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F;
    CN(C)CCCc1ccc(F)c(CCc2cc(C)cc(N)n2)c1F;
    CN(C)CCCc1c(c(c(cc1)F)CCc2cc(cc(n2)N)C)F    		 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine
    27071 KL8 3 C16 H16 B O5 S InChI=1S/C16H16BO5S/c18-1
    6(19)13-8-4-7-12-9-14(17(
    20,21)22-15(12)13)23-10-1
    1-5-2-1-3-6-11/h1-8,14,20
    -21H,9-10H2,(H,18,19)/q-1
    /t14-/m1/s1;
    NCOFNSDHLWCKKT-CQSZACIVSA-N    		 [B-]1([C@@H](Cc2cccc(c2O1)C(=O)O)SCc3ccc
    cc3)(O)O; OC(=O)c1cccc2C[C@@H](SCc3ccccc
    3)[B-](O)(O)Oc12; [B-]1(C(Cc2cccc(c2O1)C
    (=O)O)SCc3ccccc3)(O)O; OC(=O)c1cccc2C[CH
    ](SCc3ccccc3)[B-](O)(O)Oc12    		 (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
    27072 KL9 2 C23 H27 N5 O S InChI=1S/C23H27N5OS/c1-13
    -12-26-20-19(24)21(30-23(
    20)27-13)22(29)25-9-8-14-
    2-4-15(5-3-14)16-10-17-6-
    7-18(11-16)28-17/h2-5,12,
    16-18,28H,6-11,24H2,1H3,(
    H,25,29)/t16-,17-,18+;
    HYCWFJHZOMDKSR-NNZMDNLPSA-N    		 Cc1nc2sc(c(N)c2nc1)C(=O)NCCc1ccc(cc1)C1C
    C2CCC(N2)C1; Cc1cnc2c(N)c(sc2n1)C(=O)NCC
    c3ccc(cc3)[C@H]4C[C@@H]5CC[C@H](C4)N5; C
    c1cnc2c(c(sc2n1)C(=O)NCCc3ccc(cc3)C4CC5C
    CC(C4)N5)N; Cc1cnc2c(c(sc2n1)C(=O)NCCc3c
    cc(cc3)C4C[C@H]5CC[C@@H](C4)N5)N; Cc1cnc
    2c(N)c(sc2n1)C(=O)NCCc3ccc(cc3)[CH]4C[CH
    ]5CC[CH](C4)N5    		 7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide
    27073 KLA
    CHEMBL4446153    		 8 C20 H25 F2 N3 InChI=1S/C20H25F2N3/c1-13
    -6-19(25-20(23)7-13)5-3-1
    5-8-14(9-16(21)10-15)2-4-
    18-11-17(22)12-24-18/h6-1
    0,17-18,24H,2-5,11-12H2,1
    H3,(H2,23,25)/t17-,18+/m0
    /s1;
    PNHNZORGNQGMRR-ZWKOTPCHSA-N    		 Cc1cc(N)nc(CCc2cc(F)cc(CC[C@@H]3C[C@H](F
    )CN3)c2)c1; Cc1cc(N)nc(CCc2cc(F)cc(CC[CH
    ]3C[CH](F)CN3)c2)c1; Cc1cc(nc(c1)N)CCc2c
    c(cc(c2)F)CCC3CC(CN3)F; Cc1cc(nc(c1)N)CC
    c2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F; c1(
    N)nc(cc(c1)C)CCc2cc(cc(c2)F)CCC3CC(CN3)F    		 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    27074 KLB
    CHEMBL4633331    		 2 C14 H12 N4 S InChI=1S/C14H12N4S/c15-14
    (16)12-6-10(9-4-2-1-3-5-9
    )13(19-12)11-7-17-8-18-11
    /h1-8H,(H3,15,16)(H,17,18
    );
    FXABOLLAJZFHEL-UHFFFAOYSA-N    		 c1ccc(cc1)c2cc(sc2c3cnc[nH]3)C(=N)N; [H]
    /N=C(\c1cc(c(s1)c2cnc[nH]2)c3ccccc3)/N;
    NC(=N)c1sc(c2[nH]cnc2)c(c1)c3ccccc3    		 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide
    27075 KLC 1 C24 H44 O8 InChI=1S/C24H44O8/c1-7-16
    (14-25)11-15(2)19-12-17(3
    0-5)13-21(27)24(3,4)20(26
    )10-8-9-18(31-6)22(28)23(
    29)32-19/h11,16-22,25-28H
    ,7-10,12-14H2,1-6H3/b15-1
    1-/t16-,17-,18-,19+,20+,2
    1+,22+/m1/s1;
    QYFLRYFPHHCRNA-WFGCVQBFSA-N    		 CCC(CO)C=C(C)C1CC(CC(C(C(CCCC(C(C(=O)O1)
    O)OC)O)(C)C)O)OC; CC[C@@H](CO)/C=C(/C)\[
    C@@H]1C[C@H](C[C@@H](C([C@H](CCC[C@H]([C
    @@H](C(=O)O1)O)OC)O)(C)C)O)OC; CC[CH](CO
    )C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)[CH](O)
    CCC[CH](OC)[CH](O)C(=O)O1)OC; CC[C@@H](C
    O)\C=C(C)/[C@@H]1C[C@H](C[C@H](O)C(C)(C)
    [C@@H](O)CCC[C@@H](OC)[C@H](O)C(=O)O1)OC    		 (3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one
    27076 KLD
    CHEMBL4474392    		 8 C21 H27 F2 N3 InChI=1S/C21H27F2N3/c1-14
    -7-19(25-21(24)8-14)5-3-1
    5-9-16(11-17(22)10-15)4-6
    -20-12-18(23)13-26(20)2/h
    7-11,18,20H,3-6,12-13H2,1
    -2H3,(H2,24,25)/t18-,20+/
    m0/s1;
    ASCMQTSVWSFRKT-AZUAARDMSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[
    C@@H](CN3C)F; CN1C[CH](F)C[CH]1CCc2cc(F)
    cc(CCc3cc(C)cc(N)n3)c2; Cc1cc(nc(c1)N)CC
    c2cc(cc(c2)F)CCC3CC(CN3C)F; CN1C[C@@H](F
    )C[C@H]1CCc2cc(F)cc(CCc3cc(C)cc(N)n3)c2;
    c1(cc(cc(c1)CCc2cc(cc(n2)N)C)CCC3CC(CN3
    C)F)F    		 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    27077 KLE 1 C11 H10 N2 S InChI=1S/C11H10N2S/c12-11
    (13)10-7-6-9(14-10)8-4-2-
    1-3-5-8/h1-7H,(H3,12,13);
    YQGXFGCWUBMBNN-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc(s2)C(=N)N; NC(=N)c1sc(cc
    1)c2ccccc2; [H]/N=C(\c1ccc(s1)c2ccccc2)/
    N    		 5-phenylthiophene-2-carboximidamide
    27078 KLF
    ZINC000082068168    		 0 C5 H10 N2 O2 InChI=1S/C5H10N2O2/c6-5(9
    )4-1-3(8)2-7-4/h3-4,7-8H,
    1-2H2,(H2,6,9)/t3-,4+/m1/
    s1;
    OJSXAYGYRGXDSQ-DMTCNVIQSA-N    		 C1C(CNC1C(=O)N)O; C1[C@H](CN[C@@H]1C(=O)
    N)O; NC(=O)[C@@H]1C[C@@H](O)CN1; NC(=O)[
    CH]1C[CH](O)CN1    		 (2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide
    27079 KLG
    CHEMBL2385480
    ZINC000095920859    		 1 C10 H14 N2 O4 S InChI=1S/C10H14N2O4S/c13-
    10(12-14)8-11-17(15,16)7-
    6-9-4-2-1-3-5-9/h1-5,11,1
    4H,6-8H2,(H,12,13);
    CWDYQHCEZVYJNX-UHFFFAOYSA-N    		 c1ccc(cc1)CCS(=O)(=O)NCC(=O)NO; ONC(=O)C
    N[S](=O)(=O)CCc1ccccc1; O=C(NO)CNS(=O)(=
    O)CCc1ccccc1    		 N-hydroxy-N~2~-[(2-phenylethyl)sulfonyl]glycinamide
    27080 KLH
    CHEMBL2385481
    ZINC000095920858    		 1 C13 H18 N2 O4 S InChI=1S/C13H18N2O4S/c16-
    13(14-17)12-7-4-9-15(12)2
    0(18,19)10-8-11-5-2-1-3-6
    -11/h1-3,5-6,12,17H,4,7-1
    0H2,(H,14,16)/t12-/m1/s1;
    FTQOZDRDOVWSBK-GFCCVEGCSA-N    		 O=C(NO)C2N(S(=O)(=O)CCc1ccccc1)CCC2; c1c
    cc(cc1)CCS(=O)(=O)N2CCCC2C(=O)NO; c1ccc(
    cc1)CCS(=O)(=O)N2CCC[C@@H]2C(=O)NO; ONC(
    =O)[CH]1CCCN1[S](=O)(=O)CCc2ccccc2; ONC(
    =O)[C@H]1CCCN1[S](=O)(=O)CCc2ccccc2    		 N-hydroxy-1-[(2-phenylethyl)sulfonyl]-D-prolinamide
    27081 KLI
    CHEMBL1933568
    ZINC000073222785    		 4 C31 H26 F5 N5 O2 InChI=1S/C31H26F5N5O2/c1-
    39-9-11-40(12-10-39)27-16
    -26-22(15-25(27)33)29(42)
    23(30-37-28(43-38-30)13-1
    9-5-3-2-4-6-19)18-41(26)1
    7-20-7-8-21(14-24(20)32)3
    1(34,35)36/h2-8,14-16,18H
    ,9-13,17H2,1H3;
    BZDUJTPAUCQOHN-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(c(F)c1)CN4c6c(C(=O)C(c2nc(
    on2)Cc3ccccc3)=C4)cc(F)c(N5CCN(C)CC5)c6;
    CN1CCN(CC1)c2cc3N(Cc4ccc(cc4F)C(F)(F)F)
    C=C(C(=O)c3cc2F)c5noc(Cc6ccccc6)n5; CN1C
    CN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4
    F)C(F)(F)F)c5nc(on5)Cc6ccccc6    		 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one
    27082 KLJ
    CHEMBL2385482
    ZINC000095921326    		 1 C11 H16 N2 O5 S InChI=1S/C11H16N2O5S/c1-1
    8-10-4-2-9(3-5-10)6-7-19(
    16,17)12-8-11(14)13-15/h2
    -5,12,15H,6-8H2,1H3,(H,13
    ,14);
    LMKSZZKXCRCXFM-UHFFFAOYSA-N    		 COc1ccc(cc1)CCS(=O)(=O)NCC(=O)NO; COc1cc
    c(CC[S](=O)(=O)NCC(=O)NO)cc1; O=C(NO)CNS
    (=O)(=O)CCc1ccc(OC)cc1    		 N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide
    27083 KLK
    CHEMBL4783790    		 1 C12 H16 N2 O2 InChI=1S/C12H16N2O2/c1-7-
    10-8(5-3-4-6-9(10)15)11(1
    4-7)12(16)13-2/h14H,3-6H2
    ,1-2H3,(H,13,16);
    PZYBAQLWKWXUON-UHFFFAOYSA-N    		 Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O; CNC(=O)
    c1[nH]c(C)c2C(=O)CCCCc12    		 ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
    27084 KLM 1 C26 H28 N6 O4 InChI=1S/C26H28N6O4/c1-31
    (2)14-20(33)15-36-21-10-7
    -18(8-11-21)28-26-27-13-2
    2-23(30-26)32(25(35)24(34
    )29-22)19-9-6-16-4-3-5-17
    (16)12-19/h6-13,20,33H,3-
    5,14-15H2,1-2H3,(H,29,34)
    (H,27,28,30)/t20-/m0/s1;
    FIEBLYFIDPTHGZ-FQEVSTJZSA-N    		 CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc3c(n2)N(C
    (=O)C(=O)N3)c4ccc5c(c4)CCC5)O; CN(C)CC(C
    Oc5ccc(Nc4ncc1c(N(C(C(N1)=O)=O)c3cc2CCCc
    2cc3)n4)cc5)O; CN(C)CC(COc1ccc(cc1)Nc2nc
    c3c(n2)N(C(=O)C(=O)N3)c4ccc5c(c4)CCC5)O;
    CN(C)C[CH](O)COc1ccc(Nc2ncc3NC(=O)C(=O)
    N(c4ccc5CCCc5c4)c3n2)cc1; CN(C)C[C@H](O)
    COc1ccc(Nc2ncc3NC(=O)C(=O)N(c4ccc5CCCc5c
    4)c3n2)cc1    		 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione
    27085 KLN
    CHEMBL295698
    DB05667
    ZINC000000643153    		 9 C26 H28 Cl2 N4 O4 InChI=1S/C26H28Cl2N4O4/c1
    -19(33)31-10-12-32(13-11-
    31)21-3-5-22(6-4-21)34-15
    -23-16-35-26(36-23,17-30-
    9-8-29-18-30)24-7-2-20(27
    )14-25(24)28/h2-9,14,18,2
    3H,10-13,15-17H2,1H3/t23-
    ,26-/m1/s1;
    XMAYWYJOQHXEEK-ZEQKJWHPSA-N    		 CC(=O)N1CCN(CC1)c2ccc(OC[CH]3CO[C](Cn4cc
    nc4)(O3)c5ccc(Cl)cc5Cl)cc2; CC(=O)N1CCN(
    CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4cc
    nc4)c5ccc(cc5Cl)Cl; CC(=O)N1CCN(CC1)c2cc
    c(OC[C@@H]3CO[C@](Cn4ccnc4)(O3)c5ccc(Cl)
    cc5Cl)cc2; CC(=O)N1CCN(CC1)c2ccc(cc2)OCC
    3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl; O=C(N5
    CCN(c4ccc(OCC1OC(OC1)(c2ccc(Cl)cc2Cl)Cn3
    cncc3)cc4)CC5)C    		 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE
    27086 KLO
    CHEMBL275965
    ZINC000001670654    		 2 C11 H10 N2 O2 InChI=1S/C11H10N2O2/c14-1
    0-9(7-12-11(15)13-10)6-8-
    4-2-1-3-5-8/h1-5,7H,6H2,(
    H2,12,13,14,15);
    RPZOVLGFKOOIRP-UHFFFAOYSA-N    		 c1ccc(cc1)Cc2cnc(nc2O)O; Oc1ncc(Cc2ccccc
    2)c(O)n1    		 5-(phenylmethyl)pyrimidine-2,4-diol
    27087 KLP 1 C21 H22 N4 O3 S InChI=1S/C21H22N4O3S/c1-1
    2-6-5-7-13(2)17(12)11-22-
    21-16-8-14-9-18(25-29(4,2
    6)27)19(28-3)10-15(14)20(
    16)23-24-21/h5-10,25H,11H
    2,1-4H3,(H,22,24);
    YLMQFWXDIVNPGV-UHFFFAOYSA-N    		 Cc1cccc(c1CNC2=C3C=C4C=C(C(=CC4=C3N=N2)O
    C)NS(=O)(=O)C)C; COC1=CC2=C3N=NC(=C3C=C2
    C=C1N[S](C)(=O)=O)NCc4c(C)cccc4C; CS(=O)
    (=O)NC4=CC3=CC=1C(N=NC=1NCc2c(cccc2C)C)=
    C3C=C4OC    		 N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide
    27088 KLQ
    CHEMBL3989866
    DB11799    		 7 C21 H18 F3 N3 O5 InChI=1S/C21H18F3N3O5/c22
    -9-3-14(23)12(15(24)4-9)6
    -25-20(30)13-7-26-8-16-27
    (10-1-2-11(5-10)32-16)21(
    31)17(26)19(29)18(13)28/h
    3-4,7,10-11,16,29H,1-2,5-
    6,8H2,(H,25,30)/t10-,11+,
    16+/m0/s1;
    SOLUWJRYJLAZCX-LYOVBCGYSA-N    		 c1c(cc(c(c1F)CNC(=O)C2=CN3CC4N(C5CCC(C5)
    O4)C(=O)C3=C(C2=O)O)F)F; OC1=C2N(C[C@H]3
    O[C@@H]4CC[C@@H](C4)N3C2=O)C=C(C(=O)NCc5
    c(F)cc(F)cc5F)C1=O; OC1=C2N(C[CH]3O[CH]4
    CC[CH](C4)N3C2=O)C=C(C(=O)NCc5c(F)cc(F)c
    c5F)C1=O; c1c(cc(c(c1F)CNC(=O)C2=CN3C[C@
    @H]4N([C@H]5CC[C@H](C5)O4)C(=O)C3=C(C2=O
    )O)F)F    		 Bictegravir
    27089 KLR 1 C20 H24 N4 O InChI=1S/C20H24N4O/c1-20(
    2,3)24-19(25)18(16-7-5-13
    -22-14-16)23-17-10-8-15(9
    -11-17)6-4-12-21/h5,7-11,
    13-14,18,23H,4,6H2,1-3H3,
    (H,24,25)/t18-/m0/s1;
    OUPPHPJHMDQSCE-SFHVURJKSA-N    		 CC(C)(C)NC(=O)C(c1cccnc1)Nc2ccc(cc2)CCC#
    N; CC(C)(C)NC(=O)[C@@H](Nc1ccc(CCC#N)cc1
    )c2cccnc2; CC(C)(C)NC(=O)[C@H](c1cccnc1)
    Nc2ccc(cc2)CCC#N; CC(C)(C)NC(=O)C(Nc1ccc
    (CCC#N)cc1)c1cccnc1; CC(C)(C)NC(=O)[CH](
    Nc1ccc(CCC#N)cc1)c2cccnc2    		 (2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide
    27090 KLS 2 C9 H12 N4 O InChI=1S/C9H12N4O/c1-11-9
    (14)13-8(10)12-7-5-3-2-4-
    6-7/h2-6H,1H3,(H4,10,11,1
    2,13,14);
    BBCGZOVGNWCXHT-UHFFFAOYSA-N    		 CNC(=O)NC(=N)Nc1ccccc1; O=C(NC)NC(=[N@H]
    )Nc1ccccc1    		 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA
    27091 KLT
    CHEMBL402262
    DB08046
    ZINC000000057255    		 2 C14 H11 Cl N2 O4 S InChI=1S/C14H11ClN2O4S/c1
    5-11-6-5-8(7-12(11)22(16,
    20)21)14(19)10-4-2-1-3-9(
    10)13(18)17-14/h1-7,19H,(
    H,17,18)(H2,16,20,21)/t14
    -/m0/s1;
    JIVPVXMEBJLZRO-AWEZNQCLSA-N    		 N[S](=O)(=O)c1cc(ccc1Cl)[C]2(O)NC(=O)c3c
    cccc23; c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)S
    (=O)(=O)N)Cl)O; N[S](=O)(=O)c1cc(ccc1Cl)
    [C@@]2(O)NC(=O)c3ccccc23; O=S(=O)(N)c1c(
    Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2; c1ccc2c(
    c1)C(=O)N[C@@]2(c3ccc(c(c3)S(=O)(=O)N)Cl
    )O    		 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide;
    chlorthalidone
    27092 KLU
    ZINC000008939853    		 11 C11 H11 Cl N2 O3 InChI=1S/C11H11ClN2O3/c12
    -5-10(15)14-6-9(11(13)16)
    17-8-4-2-1-3-7(8)14/h1-4,
    9H,5-6H2,(H2,13,16)/t9-/m
    0/s1;
    ARXMOGIPJRHYNG-VIFPVBQESA-N    		 c1ccc2c(c1)N(CC(O2)C(=O)N)C(=O)CCl; NC(=
    O)[CH]1CN(C(=O)CCl)c2ccccc2O1; ClCC(=O)N
    1CC(Oc2ccccc21)C(N)=O; c1ccc2c(c1)N(C[C@
    H](O2)C(=O)N)C(=O)CCl; NC(=O)[C@@H]1CN(C
    (=O)CCl)c2ccccc2O1    		 (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
    27093 KLV
    CHEMBL255305
    ZINC000001895413    		 1 C10 H9 O6 P InChI=1S/C10H9O6P/c1-6-4-
    10(11)15-9-5-7(2-3-8(6)9)
    16-17(12,13)14/h2-5H,1H3,
    (H2,12,13,14);
    BCHIXGBGRHLSBE-UHFFFAOYSA-N    		 O=P(O)(O)Oc2ccc1c(OC(=O)C=C1C)c2; CC1=CC
    (=O)Oc2c1ccc(c2)OP(=O)(O)O; CC1=CC(=O)Oc
    2cc(O[P](O)(O)=O)ccc12    		 4-methylumbelliferyl phosphate;
    4-methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate
    27094 KLW
    ZINC000000404206    		 1 C8 H7 N O3 InChI=1S/C8H7NO3/c9-7(10)
    5-3-1-2-4-6(5)8(11)12/h1-
    4H,(H2,9,10)(H,11,12);
    CYMRPDYINXWJFU-UHFFFAOYSA-N    		 NC(=O)c1ccccc1C(O)=O; O=C(O)c1ccccc1C(=O
    )N; c1ccc(c(c1)C(=O)N)C(=O)O    		 2-carbamoylbenzoic acid
    27095 KLX 1 C20 H21 Cl O4 InChI=1S/C20H21ClO4/c21-1
    5-5-4-8-17(12-15)24-13-14
    -11-18(9-10-19(14)20(22)2
    3)25-16-6-2-1-3-7-16/h1-8
    ,12,14,18-19H,9-11,13H2,(
    H,22,23)/t14-,18+,19-/m1/
    s1;
    IIMAZIDTCFIPHU-MDASCCDHSA-N    		 OC(=O)[CH]1CC[CH](C[CH]1COc2cccc(Cl)c2)O
    c3ccccc3; Clc1cccc(c1)OCC1CC(Oc2ccccc2)C
    CC1C(=O)O; c1ccc(cc1)O[C@H]2CC[C@H]([C@H
    ](C2)COc3cccc(c3)Cl)C(=O)O; OC(=O)[C@@H]
    1CC[C@@H](C[C@@H]1COc2cccc(Cl)c2)Oc3cccc
    c3; c1ccc(cc1)OC2CCC(C(C2)COc3cccc(c3)Cl
    )C(=O)O    		 (1R,2S,4S)-2-[(3-chlorophenoxy)methyl]-4-phenoxycyclohexane-1-carboxylic acid
    27096 KLY
    CHEMBL4588581    		 8 C18 H20 F N3 InChI=1S/C18H20FN3/c1-13-
    8-17(22-18(20)9-13)6-5-15
    -10-14(4-3-7-21-2)11-16(1
    9)12-15/h8-12,21H,5-7H2,1
    -2H3,(H2,20,22);
    YNFSNSWWKPMRND-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC; CNC
    C#Cc1cc(F)cc(CCc2cc(C)cc(N)n2)c1; c2(cc(
    CCc1cc(C)cc(N)n1)cc(c2)F)C#CCNC    		 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
    27097 KLZ 1 C10 H9 Cl N2 S2 InChI=1S/C10H9ClN2S2/c11-
    7-1-5(4-14)2-8-6(7)3-9(15
    -8)10(12)13/h1-3,14H,4H2,
    (H3,12,13);
    YFGWNQGNVJPWHQ-UHFFFAOYSA-N    		 c1c(cc(c2c1sc(c2)C(=N)N)Cl)CS; NC(=N)c1s
    c2cc(CS)cc(Cl)c2c1; [H]/N=C(\c1cc2c(s1)c
    c(cc2Cl)CS)/N    		 4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
    27098 KM0
    ZINC000060705805    		 16 C16 H12 Cl N O InChI=1S/C16H12ClNO/c17-1
    4-8-9-15(16-13(14)7-4-10-
    18-16)19-11-12-5-2-1-3-6-
    12/h1-10H,11H2;
    LPPVIXWNCVGAJV-UHFFFAOYSA-N    		 Clc1ccc(OCc2ccccc2)c3ncccc13; c1ccc(cc1)
    COc2ccc(c3c2nccc3)Cl; Clc2ccc(OCc1ccccc1
    )c3ncccc23    		 8-(benzyloxy)-5-chloroquinoline
    27099 KM1
    ZINC000095920708    		 10 C16 H11 Cl2 N O InChI=1S/C16H11Cl2NO/c17-
    12-4-1-3-11(9-12)10-20-15
    -7-6-14(18)13-5-2-8-19-16
    (13)15/h1-9H,10H2;
    BIHPUIBBWFPTCY-UHFFFAOYSA-N    		 Clc1cccc(COc2ccc(Cl)c3cccnc23)c1; Clc1cc
    cc(c1)COc2ccc(Cl)c3cccnc23; c1cc(cc(c1)C
    l)COc2ccc(c3c2nccc3)Cl    		 5-chloro-8-[(3-chlorobenzyl)oxy]quinoline
    27100 KM2 1 C12 H16 N4 S InChI=1S/C12H16N4S/c1-7(6
    -13)16-9-4-2-3-8-5-10(12(
    14)15)17-11(8)9/h2-5,7,16
    H,6,13H2,1H3,(H3,14,15)/t
    7-/m0/s1;
    ZAZAVGHCOORPKF-ZETCQYMHSA-N    		 CC(CN)Nc1cccc2c1sc(c2)C(=N)N; C[CH](CN)N
    c1cccc2cc(sc12)C(N)=N; C[C@@H](CN)Nc1ccc
    c2cc(sc12)C(N)=N; [H]/N=C(\c1cc2cccc(c2s
    1)N[C@@H](C)CN)/N    		 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide
    27101 KM3 20 C26 H36 Fe N6 O2 S InChI=1S/C26H36N6O2S.Fe/c
    33-24(12-2-1-11-23-25-22(
    19-35-23)30-26(34)31-25)2
    9-15-7-8-16-32(17-20-9-3-
    5-13-27-20)18-21-10-4-6-1
    4-28-21;/h3-6,9-10,13-14,
    22-23,25H,1-2,7-8,11-12,1
    5-19H2,(H,29,33)(H2,30,31
    ,34);/q;+3/t22-,23-,25-;/
    m0./s1;
    BLSJCACNFKSTBA-LTWAPREQSA-N    		 c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)
    CCCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6; O=C(CC
    CC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCN3
    Cc4cccc[n+]4[Fe][n+]5ccccc5C3; c1cc[n+]2
    c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCCCNC(=O
    )CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6; O=
    C1NC2C(N1)C(SC2)CCCCC(NCCCC[N+]35[Fe]([n
    +]4ccccc4C3)[n+]6ccccc6C5)=O; O=C(CCCC[C
    H]1SC[CH]2NC(=O)N[CH]12)NCCCCN3Cc4cccc[n
    +]4[Fe][n+]5ccccc5C3    		 {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
    27102 KM5
    CHEMBL5180552    		 3 C23 H28 N8 O3 InChI=1S/C23H28N8O3/c1-3-
    30(13-16-12-26-20-18(27-1
    6)19(24)28-23(25)29-20)17
    -6-4-14(5-7-17)21(32)31-1
    0-8-15(9-11-31)22(33)34-2
    /h4-7,12,15H,3,8-11,13H2,
    1-2H3,(H4,24,25,26,28,29);
    OTZWZUHDCONCKN-UHFFFAOYSA-N    		 CCN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(
    =O)N4CCC(CC4)C(=O)OC; CCN(Cc1cnc2nc(N)nc
    (N)c2n1)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC    		 methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate
    27103 KM6
    ZINC000019942701    		 1 C8 H5 Cl N2 O InChI=1S/C8H5ClN2O/c9-7-3
    -1-6(2-4-7)8-11-10-5-12-8
    /h1-5H;
    AYUDXVQMLKGODN-UHFFFAOYSA-N    		 c1cc(ccc1c2nnco2)Cl; Clc1ccc(cc1)c2ocnn2 2-(4-chlorophenyl)-1,3,4-oxadiazole
    27104 KM7
    CHEMBL4557453    		 4 C19 H22 F N3 InChI=1S/C19H22FN3/c1-14-
    9-18(22-19(21)10-14)7-6-1
    6-11-15(12-17(20)13-16)5-
    4-8-23(2)3/h9-13H,6-8H2,1
    -3H3,(H2,21,22);
    YSCHBYRLJPUGBG-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C;
    CN(C)CC#Cc1cc(F)cc(CCc2cc(C)cc(N)n2)c1;
    c2(cc(C)cc(CCc1cc(F)cc(c1)C#CCN(C)C)n2)N    		 6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
    27105 KM8 3 C14 H15 N3 O S InChI=1S/C14H15N3OS/c1-2-
    13(18)17-11-5-3-4-9(6-11)
    10-7-12(14(15)16)19-8-10/
    h3-8H,2H2,1H3,(H3,15,16)(
    H,17,18);
    GPXOTALYBUCFOP-UHFFFAOYSA-N    		 CCC(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N; CCC(=
    O)Nc1cccc(c1)c2csc(c2)C(N)=N; [H]/N=C(\c
    1cc(cs1)c2cccc(c2)NC(=O)CC)/N    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
    27106 KMA
    CHEMBL4534409    		 12 C20 H26 F N3 InChI=1S/C20H26FN3/c1-14-
    9-19(24-20(22)10-14)7-5-1
    6-11-15(12-17(21)13-16)4-
    6-18-3-2-8-23-18/h9-13,18
    ,23H,2-8H2,1H3,(H2,22,24)
    /t18-/m0/s1;
    PTOVOAJZRWYLQM-SFHVURJKSA-N    		 Cc1cc(N)nc(CCc2cc(F)cc(CC[C@@H]3CCCN3)c2
    )c1; Fc1cc(cc(c1)CCC2CCCN2)CCc3cc(cc(n3)
    N)C; Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@
    H]3CCCN3; Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C
    CC3CCCN3; Cc1cc(N)nc(CCc2cc(F)cc(CC[CH]3
    CCCN3)c2)c1    		 6-[2-(3-fluoro-5-{2-[(2R)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    27107 KMB
    DB04239
    ZINC000012504238    		 1 C16 H16 N4 O S InChI=1S/C16H16N4OS/c17-8
    -10-6-11(9-22-12-4-2-1-3-
    5-12)14-13(7-10)15(21)20-
    16(18)19-14/h1-7H,8-9,17H
    2,(H3,18,19,20,21);
    CBFXRTSHUMEYKQ-UHFFFAOYSA-N    		 O=C1c2c(N=C(N1)N)c(cc(c2)CN)CSc3ccccc3;
    NCc1cc(CSc2ccccc2)c3N=C(N)NC(=O)c3c1; c1
    ccc(cc1)SCc2cc(cc3c2N=C(NC3=O)N)CN    		 2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-3H-QUINAZOLIN-4-ONE
    27108 KMC
    CHEMBL309490
    ZINC000000120273    		 1 C15 H10 O5 InChI=1S/C15H10O5/c16-9-6
    -10(17)12-11(7-9)20-15(14
    (19)13(12)18)8-4-2-1-3-5-
    8/h1-7,16-17,19H;
    VCCRNZQBSJXYJD-UHFFFAOYSA-N    		 c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O;
    Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O    		 galangin;
    3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one
    27109 KMD
    CHEMBL4467114    		 4 C21 H28 F N3 InChI=1S/C21H28FN3/c1-15-
    10-19(24-21(23)11-15)7-5-
    16-12-17(14-18(22)13-16)6
    -8-20-4-3-9-25(20)2/h10-1
    4,20H,3-9H2,1-2H3,(H2,23,
    24)/t20-/m0/s1;
    LLEZATCTDGWSJC-FQEVSTJZSA-N    		 CN1CCC[C@H]1CCc2cc(F)cc(CCc3cc(C)cc(N)n3
    )c2; Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CC
    CN3C; c3(cc(C)cc(CCc1cc(F)cc(c1)CCC2CCCN
    2C)n3)N; CN1CCC[CH]1CCc2cc(F)cc(CCc3cc(C
    )cc(N)n3)c2; Cc1cc(nc(c1)N)CCc2cc(cc(c2)
    F)CC[C@@H]3CCCN3C    		 6-[2-(3-fluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    27110 KME
    ZINC000058649418    		 1 C12 H20 O8 InChI=1S/C12H20O8/c1-3-4-
    19-12(11(16)17)5-7(14)9(1
    5)10(20-12)8(6-13)18-2/h3
    -4,7-10,13-15H,5-6H2,1-2H
    3,(H,16,17)/b4-3+/t7-,8-,
    9-,10-,12-/m1/s1;
    HGSGCVUFLKROQP-PPCCDUSGSA-N    		 CO[CH](CO)[CH]1O[C](C[CH](O)[CH]1O)(OC=C
    C)C(O)=O; CO[C@H](CO)[C@H]1O[C@@](C[C@@H
    ](O)[C@H]1O)(O\C=C\C)C(O)=O; CC=COC1(CC(
    C(C(O1)C(CO)OC)O)O)C(=O)O; C/C=C/O[C@@]1
    (C[C@H]([C@H]([C@H](O1)[C@@H](CO)OC)O)O)
    C(=O)O; O=C(O)C1(O/C=C/C)OC(C(O)C(O)C1)C
    (OC)CO    		 (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid;
    (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulosidonic acid;
    (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-D-manno-oct-2-ulosidonic acid;
    (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-manno-oct-2-ulosidonic acid
    27111 KMF 1 C19 H23 N3 O2 InChI=1S/C19H23N3O2/c1-15
    (23)22-13-11-21(12-14-22)
    10-9-20-19(24)18-8-4-6-16
    -5-2-3-7-17(16)18/h2-8H,9
    -14H2,1H3,(H,20,24);
    FZEKPYMSMRNNKF-UHFFFAOYSA-N    		 CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc23)CC1;
    CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc32)CC1;
    CC(=O)N1CCN(CC1)CCNC(=O)c2cccc3c2cccc3    		 N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide
    27112 KMG 1 C12 H17 N3 O2 S InChI=1S/C12H17N3O2S/c1-3
    -4-7-18(16,17)15-10-5-6-1
    2-11(8-10)9(2)13-14-12/h5
    -6,8,15H,3-4,7H2,1-2H3,(H
    ,13,14);
    KOCNIUOZWPMKDF-UHFFFAOYSA-N    		 CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C; CCC
    C[S](=O)(=O)Nc1ccc2n[nH]c(C)c2c1; Cc2c1c
    (ccc(c1)NS(CCCC)(=O)=O)nn2    		 N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide
    27113 KMH 4 C6 H11 N O3 InChI=1S/C6H11NO3/c1-4(7)
    2-5(8)3-6(9)10/h4H,2-3,7H
    2,1H3,(H,9,10)/t4-/m0/s1;
    FAASBXNEOGMQHS-BYPYZUCNSA-N    		 C[C@@H](CC(=O)CC(=O)O)N; C[C@H](N)CC(=O)
    CC(O)=O; C[CH](N)CC(=O)CC(O)=O; CC(CC(=O
    )CC(=O)O)N    		 (5S)-5-AMINO-3-OXO-HEXANOIC ACID
    27114 KMI 9 C14 H17 N3 InChI=1S/C14H17N3/c1-10-6
    -13(17-14(15)7-10)12-5-3-
    4-11(8-12)9-16-2/h3-8,16H
    ,9H2,1-2H3,(H2,15,17);
    QVLCJJWOAMFHSP-UHFFFAOYSA-N    		 CNCc1cccc(c1)c2cc(C)cc(N)n2; Cc1cc(nc(c1
    )N)c2cccc(c2)CNC; Cc1cc(nc(N)c1)c1cccc(C
    NC)c1    		 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine
    27115 KMJ
    CHEMBL4528697    		 4 C19 H25 F2 N3 InChI=1S/C19H25F2N3/c1-13
    -9-17(23-18(22)10-13)7-6-
    15-12-16(20)11-14(19(15)2
    1)5-4-8-24(2)3/h9-12H,4-8
    H2,1-3H3,(H2,22,23);
    ZUJBVDNPPNRQBW-UHFFFAOYSA-N    		 CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1F;
    c2(cc(C)cc(CCc1c(F)c(cc(c1)F)CCCN(C)C)n2
    )N; Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C
    )F    		 6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine
    27116 KMK
    CHEMBL5171609    		 8 C24 H30 N8 O4 InChI=1S/C24H30N8O4/c1-36
    -23(35)16-7-10-31(11-8-16
    )22(34)15-3-5-18(6-4-15)3
    2(9-2-12-33)14-17-13-27-2
    1-19(28-17)20(25)29-24(26
    )30-21/h3-6,13,16,33H,2,7
    -12,14H2,1H3,(H4,25,26,27
    ,29,30);
    NKRKEQBTIYLTPA-UHFFFAOYSA-N    		 COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(CCCO)C
    c3cnc4c(n3)c(nc(n4)N)N; COC(=O)C1CCN(CC1
    )C(=O)c2ccc(cc2)N(CCCO)Cc3cnc4nc(N)nc(N)
    c4n3    		 methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
    27117 KML
    CHEMBL399910
    ZINC000000073693    		 4 C15 H12 O4 InChI=1S/C15H12O4/c16-10-
    6-11(17)15-12(18)8-13(19-
    14(15)7-10)9-4-2-1-3-5-9/
    h1-7,13,16-17H,8H2/t13-/m
    0/s1;
    URFCJEUYXNAHFI-ZDUSSCGKSA-N    		 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccccc3; Oc
    1cc(O)c2C(=O)C[CH](Oc2c1)c3ccccc3; c1ccc
    (cc1)C2CC(=O)c3c(cc(cc3O2)O)O; c1ccc(cc1
    )[C@@H]2CC(=O)c3c(cc(cc3O2)O)O    		 pinocembrin;
    (2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one
    27118 KMM
    CHEMBL4455796    		 10 C19 H24 F3 N3 InChI=1S/C19H24F3N3/c1-12
    -9-14(24-17(23)10-12)6-7-
    15-18(21)13(5-4-8-25(2)3)
    11-16(20)19(15)22/h9-11H,
    4-8H2,1-3H3,(H2,23,24);
    ZAJCMGYRPZNQGR-UHFFFAOYSA-N    		 CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1
    F; c2(CCc1cc(C)cc(n1)N)c(c(CCCN(C)C)cc(c
    2F)F)F; Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)C
    CCN(C)C)F    		 6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
    27119 KMN
    ZINC000263621205    		 2 C27 H32 N2 O2 InChI=1S/C27H32N2O2/c1-4-
    23-19-22(11-10-18-31-26-1
    2-8-7-9-13-26)20-24(27(23
    )30)21-28-16-14-25(15-17-
    28)29(5-2)6-3/h1,7-9,12-1
    3,19-20,25,30H,5-6,14-18,
    21H2,2-3H3;
    WYIKILSZEONLKD-UHFFFAOYSA-N    		 CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)C#C)C#CCOc
    3ccccc3; CCN(CC)C1CCN(CC1)Cc2cc(cc(C#C)c
    2O)C#CCOc3ccccc3    		 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol
    27120 KMP
    CHEMBL150
    DB01852
    ZINC000003869768    		 19 C15 H10 O6 InChI=1S/C15H10O6/c16-8-3
    -1-7(2-4-8)15-14(20)13(19
    )12-10(18)5-9(17)6-11(12)
    21-15/h1-6,16-18,20H;
    IYRMWMYZSQPJKC-UHFFFAOYSA-N    		 c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O;
    Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
    ; O=C1c3c(OC(=C1O)c2ccc(O)cc2)cc(O)cc3O    		 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE;
    KAEMPHEROL
    27121 KMQ 8 C19 H29 N5 O14 P2 InChI=1S/C19H29N5O14P2/c1
    -2-3-4-33-15-13(26)10(37-
    19(15)28)6-35-40(31,32)38
    -39(29,30)34-5-9-12(25)14
    (27)18(36-9)24-8-23-11-16
    (20)21-7-22-17(11)24/h2-3
    ,7-10,12-15,18-19,25-28H,
    4-6H2,1H3,(H,29,30)(H,31,
    32)(H2,20,21,22)/b3-2+/t9
    -,10-,12-,13-,14-,15-,18-
    ,19+/m1/s1;
    JOKNWQJJLFYBKK-YVAUJSGTSA-N    		 CC=CCOC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC2
    C(C(C(O2)n3cnc4c3ncnc4N)O)O)O; C/C=C/CO[
    C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O
    P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n
    3cnc4c3ncnc4N)O)O)O; CC=CCO[CH]1[CH](O)O
    [CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]
    ([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O;
    C\C=C\CO[C@H]1[C@@H](O)O[C@H](CO[P](O)(=
    O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@
    H]2O)n3cnc4c(N)ncnc34)[C@H]1O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
    27122 KMR
    CHEMBL5204256    		 5 C14 H24 N4 InChI=1S/C14H24N4/c1-12-1
    0-13(16-14(15)11-12)4-3-5
    -18-8-6-17(2)7-9-18/h10-1
    1H,3-9H2,1-2H3,(H2,15,16);
    SJKIQNSRANOUEL-UHFFFAOYSA-N    		 Cc1cc(CCCN2CCN(C)CC2)nc(N)c1; Cc1cc(nc(c
    1)N)CCCN2CCN(CC2)C; CN1CCN(CCCc2cc(C)cc(
    N)n2)CC1    		 4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
    27123 KMS
    CHEMBL4548400    		 8 C19 H24 F3 N3 InChI=1S/C19H24F3N3/c1-12
    -9-15(24-16(23)10-12)7-6-
    14-11-13(5-4-8-25(2)3)17(
    20)19(22)18(14)21/h9-11H,
    4-8H2,1-3H3,(H2,23,24);
    QBZKHLSOLPLXGI-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)
    C; CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)c(F)c(F
    )c1F; c2(cc(C)cc(CCc1c(F)c(F)c(c(c1)CCCN
    (C)C)F)n2)N    		 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
    27124 KMT
    CHEMBL1233860
    DB02238
    ZINC000001532883    		 16 C5 H8 O3 S InChI=1S/C5H8O3S/c1-9-3-2
    -4(6)5(7)8/h2-3H2,1H3,(H,
    7,8);
    SXFSQZDSUWACKX-UHFFFAOYSA-N    		 O=C(O)C(=O)CCSC; CSCCC(=O)C(O)=O; CSCCC(
    =O)C(=O)O    		 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID
    27125 KMU 4 C22 H19 Cl N2 O2 InChI=1S/C22H19ClN2O2/c23
    -18-10-11-19-17(20(18)15-
    8-4-5-9-16(15)21(25)26)12
    -22(13-24,27-19)14-6-2-1-
    3-7-14/h1-11H,12-13,24H2,
    (H2,25,26)/t22-/m1/s1;
    CBDKNPCPJRZPOB-JOCHJYFZSA-N    		 NC[C@]1(Cc2c(O1)ccc(Cl)c2c3ccccc3C(N)=O)
    c4ccccc4; NC[C]1(Cc2c(O1)ccc(Cl)c2c3cccc
    c3C(N)=O)c4ccccc4; c1ccc(cc1)[C@@]2(Cc3c
    (ccc(c3c4ccccc4C(=O)N)Cl)O2)CN; c1ccc(cc
    1)C2(Cc3c(ccc(c3c4ccccc4C(=O)N)Cl)O2)CN    		 2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide
    27126 KMV
    CHEMBL4454695    		 4 C18 H19 F2 N3 InChI=1S/C18H19F2N3/c1-12
    -8-15(23-17(21)9-12)6-5-1
    4-10-13(4-3-7-22-2)11-16(
    19)18(14)20/h8-11,22H,5-7
    H2,1-2H3,(H2,21,23);
    VPIZCATWBQGZCY-UHFFFAOYSA-N    		 CNCC#Cc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1;
    Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC; c2
    (cc(C)cc(CCc1c(F)c(F)cc(c1)C#CCNC)n2)N    		 6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
    27127 KMW
    CHEMBL4126054    		 1 C14 H12 N2 O3 InChI=1S/C14H12N2O3/c15-1
    3(17)9-4-6-11(7-5-9)19-12
    -3-1-2-10(8-12)14(16)18/h
    1-8H,(H2,15,17)(H2,16,18);
    PMOXYDXLQIUWHL-UHFFFAOYSA-N    		 NC(=O)c1ccc(Oc2cccc(c2)C(N)=O)cc1; c1cc(
    cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N    		 3-(4-aminocarbonylphenoxy)benzamide
    27128 KMX 1 C17 H21 N3 O S InChI=1S/C17H21N3OS/c1-14
    (21)20-9-7-19(8-10-20)13-
    16-12-18-17(22-16)11-15-5
    -3-2-4-6-15/h2-6,12H,7-11
    ,13H2,1H3;
    CZSFWPWYLTWYHF-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)Cc1cnc(Cc2ccccc2)s1; CC(
    =O)N1CCN(CC1)Cc2cnc(s2)Cc3ccccc3; CC(=O)
    N1CCN(CC1)Cc2sc(Cc3ccccc3)nc2    		 1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one
    27129 KMY
    CHEMBL2094337
    ZINC000000307965    		 8 C9 H6 Cl N O2 S InChI=1S/C9H6ClNO2S/c10-7
    -5-3-1-2-4-6(5)14-8(7)9(1
    2)11-13/h1-4,13H,(H,11,12
    );
    HRXULFWGEYSULN-UHFFFAOYSA-N    		 Clc1c2ccccc2sc1C(=O)NO; c1ccc2c(c1)c(c(s
    2)C(=O)NO)Cl; ONC(=O)c1sc2ccccc2c1Cl    		 3-chlorobenzothiophene-2-carbohydroxamic acid
    27130 KN0 4 C21 H15 F3 N2 O2 InChI=1S/C21H15F3N2O2/c22
    -21(23,24)17-8-4-7-16-19(
    15-10-9-14(27)11-18(15)28
    )25-26(20(16)17)12-13-5-2
    -1-3-6-13/h1-11,27-28H,12
    H2;
    LXPUCQLYLWGFLV-UHFFFAOYSA-N    		 c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4cc
    c(cc4O)O; FC(F)(F)c1cccc2c1n(nc2c3ccc(O)
    cc3O)Cc4ccccc4; Oc1ccc(c(O)c1)c2nn(Cc3cc
    ccc3)c4c2cccc4C(F)(F)F    		 4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
    27131 KN1
    CHEMBL222501
    DB08047    		 10 C17 H13 F3 N2 O2 InChI=1S/C17H13F3N2O2/c1-
    2-8-22-16-12(4-3-5-13(16)
    17(18,19)20)15(21-22)11-7
    -6-10(23)9-14(11)24/h2-7,
    9,23-24H,1,8H2;
    ZDUDMCQPFKPISO-UHFFFAOYSA-N    		 Oc1ccc(c(O)c1)c2nn(CC=C)c3c2cccc3C(F)(F)
    F; FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)C\
    C=C; C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(
    cc3O)O    		 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
    27132 KN2
    CHEMBL223026
    DB08048
    ZINC000013586321    		 2 C13 H10 N2 O3 InChI=1S/C13H10N2O3/c16-7
    -1-3-9-11(5-7)14-15-13(9)
    10-4-2-8(17)6-12(10)18/h1
    -6,16-18H,(H,14,15);
    WLDZDEMGKFWJNR-UHFFFAOYSA-N    		 Oc1ccc(c(O)c1)c2n[nH]c3cc(O)ccc23; n2c(c
    1ccc(O)cc1n2)c3ccc(O)cc3O; c1cc2c(cc1O)[
    nH]nc2c3ccc(cc3O)O    		 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL
    27133 KN3 6 C19 H17 F3 N2 O2 InChI=1S/C19H17F3N2O2/c1-
    11(2)8-9-24-18-14(4-3-5-1
    5(18)19(20,21)22)17(23-24
    )13-7-6-12(25)10-16(13)26
    /h3-8,10,25-26H,9H2,1-2H3;
    DFKXJYQQWHKKOK-UHFFFAOYSA-N    		 CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3
    O)O)C; FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3
    O)C/C=C(/C)C; CC(C)=CCn1nc(c2ccc(O)cc2O)
    c3cccc(c13)C(F)(F)F    		 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
    27134 KN4
    CHEMBL4450896    		 4 C21 H27 F2 N3 InChI=1S/C21H27F2N3/c1-14
    -10-17(25-20(24)11-14)7-6
    -16-12-15(13-19(22)21(16)
    23)5-8-18-4-3-9-26(18)2/h
    10-13,18H,3-9H2,1-2H3,(H2
    ,24,25)/t18-/m0/s1;
    DWIFPRVVASXUJK-SFHVURJKSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCC3CCCN3C
    ; CN1CCC[CH]1CCc2cc(F)c(F)c(CCc3cc(C)cc(
    N)n3)c2; CN1CCC[C@H]1CCc2cc(F)c(F)c(CCc3
    cc(C)cc(N)n3)c2; c1(F)c(F)cc(cc1CCc2cc(c
    c(n2)N)C)CCC3CCCN3C; Cc1cc(nc(c1)N)CCc2c
    c(cc(c2F)F)CC[C@@H]3CCCN3C    		 6-[2-(2,3-difluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    27135 KN9
    CHEMBL155333
    ZINC000053246208    		 6 C26 H29 Cl N2 O4 S InChI=1S/C26H29ClN2O4S/c1
    -28(17-5-6-21-9-11-23(27)
    12-10-21)20-22-7-3-4-8-26
    (22)29(18-19-30)34(31,32)
    25-15-13-24(33-2)14-16-25
    /h3-16,30H,17-20H2,1-2H3/
    b6-5+;
    LLLQTDSSHZREGW-AATRIKPKSA-N    		 CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=
    O)(=O)c3ccc(cc3)OC; COc1ccc(cc1)[S](=O)(
    =O)N(CCO)c2ccccc2CN(C)C\C=C\c3ccc(Cl)cc3
    ; CN(Cc1ccccc1N(CCO)S(c2ccc(OC)cc2)(=O)=
    O)C\C=C\c3ccc(cc3)Cl; COc1ccc(cc1)[S](=O
    )(=O)N(CCO)c2ccccc2CN(C)CC=Cc3ccc(Cl)cc3
    ; CN(CC=Cc1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=
    O)(=O)c3ccc(cc3)OC    		 N-[2-[[[3-(4'-Chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide;
    N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzene-1-sulfonamide
    27136 KNA
    CHEMBL108436
    ZINC000001529234    		 23 C9 H18 O2 InChI=1S/C9H18O2/c1-2-3-4
    -5-6-7-8-9(10)11/h2-8H2,1
    H3,(H,10,11);
    FBUKVWPVBMHYJY-UHFFFAOYSA-N    		 O=C(O)CCCCCCCC; CCCCCCCCC(=O)O; CCCCCCCC
    C(O)=O    		 nonanoic acid
    27137 KNB
    ZINC000012153436    		 0 C4 H9 N O4 S InChI=1S/C4H9NO4S/c1-10(8
    ,9)2-3(5)4(6)7/h3H,2,5H2,
    1H3,(H,6,7)/t3-/m0/s1;
    AINYOQVNQVOYSR-VKHMYHEASA-N    		 CS(=O)(=O)C[C@@H](C(=O)O)N; C[S](=O)(=O)
    C[CH](N)C(O)=O; O=S(=O)(CC(C(=O)O)N)C; C
    S(=O)(=O)CC(C(=O)O)N; C[S](=O)(=O)C[C@H]
    (N)C(O)=O    		 3-(methylsulfonyl)-L-alanine
    27138 KNC
    ZINC000008217406    		 1 C18 H36 N4 O11 InChI=1S/C18H36N4O11/c19-
    4-1-5(20)16(33-18-13(28)8
    (21)10(25)6(2-23)31-18)14
    (29)15(4)32-17-9(22)12(27
    )11(26)7(3-24)30-17/h4-18
    ,23-29H,1-3,19-22H2/t4-,5
    +,6+,7+,8-,9+,10+,11+,12+
    ,13+,14-,15+,16-,17+,18+/
    m0/s1;
    WZDRWYJKESFZMB-FQSMHNGLSA-N    		 O(C2C(O)C(OC1OC(CO)C(O)C(O)C1N)C(N)CC2N)
    C3OC(C(O)C(N)C3O)CO; C1C(C(C(C(C1N)OC2C(
    C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CO)O)O
    )N)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)
    CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([
    C@H](O3)CO)O)O)N)N; N[CH]1C[CH](N)[CH](O
    [CH]2O[CH](CO)[CH](O)[CH](N)[CH]2O)[CH](
    O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]
    3N; N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H]
    (CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H](O)[C
    @@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[
    C@H]3N    		 KANAMYCIN C
    27139 KND
    CHEMBL4547754    		 4 C21 H27 F2 N3 O InChI=1S/C21H27F2N3O/c1-1
    4-9-17(25-20(24)10-14)5-4
    -16-11-15(12-19(22)21(16)
    23)3-6-18-13-27-8-7-26(18
    )2/h9-12,18H,3-8,13H2,1-2
    H3,(H2,24,25)/t18-/m0/s1;
    WLROZYRNCCIRPN-SFHVURJKSA-N    		 c1c(c(F)c(cc1CCC2COCCN2C)CCc3cc(cc(n3)N)
    C)F; Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCC3C
    OCCN3C; Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC
    [C@H]3COCCN3C; CN1CCOC[CH]1CCc2cc(F)c(F)
    c(CCc3cc(C)cc(N)n3)c2; CN1CCOC[C@@H]1CCc
    2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2    		 6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    27140 KNE 6 C15 H14 Cl N O InChI=1S/C15H14ClNO/c16-1
    3-6-7-14-11(8-13)9-15(10-
    17,18-14)12-4-2-1-3-5-12/
    h1-8H,9-10,17H2/t15-/m1/s
    1;
    USNHZUDDFFMUDB-OAHLLOKOSA-N    		 c1ccc(cc1)C2(Cc3cc(ccc3O2)Cl)CN; c1ccc(c
    c1)[C@@]2(Cc3cc(ccc3O2)Cl)CN; NC[C@]1(Cc
    2cc(Cl)ccc2O1)c3ccccc3; NC[C]1(Cc2cc(Cl)
    ccc2O1)c3ccccc3    		 [(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine
    27141 KNF
    CHEMBL4175981
    DB14998    		 1 C18 H23 N5 O3 InChI=1S/C18H23N5O3/c1-18
    (2,3)13(9-24)20-17(25)15-
    12-7-10-6-11(10)16(12)23(
    21-15)14-8-22(26)5-4-19-1
    4/h4-5,8,10-11,13,24H,6-7
    ,9H2,1-3H3,(H,20,25)/t10-
    ,11-,13+/m0/s1;
    ACSQLTBPYZSGBA-GMXVVIOVSA-N    		 CC(C)(C)[C@@H](CO)NC(=O)c1c2c(n(n1)c3c[n
    +](ccn3)[O-])[C@H]4C[C@H]4C2; CC(C)(C)[C
    H](CO)NC(=O)c1nn(c2c[n+]([O-])ccn2)c3[CH
    ]4C[CH]4Cc13; CC(C)(C)C(CO)NC(=O)c1c2c(n
    (n1)c3c[n+](ccn3)[O-])C4CC4C2; CC(C)(C)[
    C@@H](CO)NC(=O)c1nn(c2c[n+]([O-])ccn2)c3
    [C@H]4C[C@H]4Cc13    		 Olorinab;
    (2~{S},4~{S})-~{N}-[(2~{S})-3,3-dimethyl-1-oxidanyl-butan-2-yl]-9-(4-oxidanylpyrazin-2-yl)-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene-7-carboxamide
    27142 KNG 4 C50 H67 N O19 InChI=1S/C50H67NO19/c1-21
    -13-12-14-29(26(6)67-48(6
    2)49(9,10)19-34(54)55)40(
    57)23(3)39(56)24(4)43(68-
    28(8)52)22(2)32(69-35-18-
    33-45(27(7)66-35)64-20-63
    -33)15-16-65-50(11)46(60)
    38-36-31(53)17-30(51-47(2
    1)61)42(59)37(36)41(58)25
    (5)44(38)70-50/h13,15-17,
    22-24,26-27,29,32-33,35,3
    9-40,43,45,53,56-59H,12,1
    4,18-20H2,1-11H3,(H,51,61
    )(H,54,55)/b16-15+,21-13-
    /t22-,23+,24-,26+,27-,29-
    ,32+,33+,35+,39-,40-,43-,
    45-,50+/m1/s1;
    RKRZBNCHQZDJPK-UAXKWEMASA-N    		 C[C@H]1O[C@H](C[C@@H]2OCO[C@H]12)O[C@H]3
    \C=C\O[C@@]4(C)Oc5c(C)c(O)c6c(O)c(NC(=O)
    \C(=C/CC[C@H]([C@H](C)OC(=O)C(C)(C)CC(O)
    =O)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C
    @H](OC(C)=O)[C@@H]3C)C)cc(O)c6c5C4=O; Cc
    1c(c2c3c(cc(c2O)NC(=O)/C(=C\CC[C@@H]([C@
    @H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H
    ](/C=C/O[C@@]4(C(=O)c3c1O4)C)O[C@H]5C[C@
    H]6[C@@H]([C@H](O5)C)OCO6)C)OC(=O)C)C)O)
    C)O)[C@H](C)OC(=O)C(C)(C)CC(=O)O)/C)O)O;
    Cc1c(c2c3c(cc(c2O)NC(=O)C(=CCCC(C(C(C(C
    (C(C(C(C=COC4(C(=O)c3c1O4)C)OC5CC6C(C(O5
    )C)OCO6)C)OC(=O)C)C)O)C)O)C(C)OC(=O)C(C)
    (C)CC(=O)O)C)O)O; c1(c3c(c(c6c2C(C(C)(OC
    =CC(C(C(C(C(C(C(C(CCC=C(C(=O)Nc1cc(c23)O
    )C)C(OC(C(C)(C)CC(=O)O)=O)C)O)C)O)C)OC(C
    )=O)C)OC5CC4C(OCO4)C(C)O5)O6)=O)C)O)O; C
    [CH]1O[CH](C[CH]2OCO[CH]12)O[CH]3C=CO[C]
    4(C)Oc5c(C)c(O)c6c(O)c(NC(=O)C(=CCC[CH](
    [CH](C)OC(=O)C(C)(C)CC(O)=O)[CH](O)[CH](
    C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]3C)C)cc
    (O)c6c5C4=O    		 Kanglemycin A;
    4-{(1S)-1-[(1S,2S,12S,16S,17R,18S,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-23-[(2,6-dideoxy-3,4-O-methylidene-beta-D-ribo-hexopyranosyl)oxy]-1,5,6,9,17,19-hexahydroxy-2,4,12,18,20,22-hexamethyl-11-oxo-1,2-dihydro-2,7-(epoxypentadec[1]enoimino)naphtho[2,1-b]furan-16-yl]ethoxy}-3,3-dimethyl-4-oxobutanoic acid
    27143 KNH
    ZINC000169367835    		 1 C35 H61 N O8 InChI=1S/C35H61NO8/c1-6-1
    2-33-34(41)36-23-30(38)22
    -32(40)31(39)20-19-28(24-
    43-5)16-10-14-27(7-2)15-1
    1-18-29(37)17-9-8-13-25(3
    )21-26(4)35(42)44-33/h10,
    14,16,25-27,30-33,38-40H,
    6-9,11-13,15,17-24H2,1-5H
    3,(H,36,41)/b14-10-,28-16
    -/t25-,26+,27+,30+,31-,32
    +,33+/m1/s1;
    VQWNGCSUNKJFLW-ROEOKSPKSA-N    		 CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(
    =O)CCC[C@@H](CC)/C=C\C=C(\CC[C@@H](O)[C@
    @H](O)C[C@H](O)CNC1=O)COC; CCC[CH]1OC(=O
    )[CH](C)C[CH](C)CCCCC(=O)CCC[CH](CC)C=CC
    =C(CC[CH](O)[CH](O)C[CH](O)CNC1=O)COC; C
    CCC1C(=O)NCC(CC(C(CCC(=CC=CC(CCCC(=O)CCC
    CC(CC(C(=O)O1)C)C)CC)COC)O)O)O; CCC[C@H]
    1C(=O)NC[C@H](C[C@@H]([C@@H](CC/C(=C/C=C
    \[C@@H](CCCC(=O)CCCC[C@H](C[C@@H](C(=O)O
    1)C)C)CC)/COC)O)O)O    		 Myxovirescin A
    27144 KNI
    CHEMBL414640    		 6 C33 H41 N5 O6 S2 InChI=1S/C33H41N5O6S2/c1-
    33(2,3)37-31(42)26-19-46-
    20-38(26)32(43)29(40)24(1
    5-21-9-6-5-7-10-21)36-30(
    41)25(18-45-4)35-28(39)17
    -44-27-12-8-11-22-16-34-1
    4-13-23(22)27/h5-14,16,24
    -26,29,40H,15,17-20H2,1-4
    H3,(H,35,39)(H,36,41)(H,3
    7,42)/t24-,25-,26-,29-/m0
    /s1;
    NJBBLOIWMSYVCQ-VZTVMPNDSA-N    		 CSC[CH](NC(=O)COc1cccc2cnccc12)C(=O)N[CH
    ](Cc3ccccc3)[CH](O)C(=O)N4CSC[CH]4C(=O)N
    C(C)(C)C; CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O
    )[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)N
    C(=O)COc3cccc4c3ccnc4)O; CC(C)(C)NC(=O)C
    1CSCN1C(=O)C(C(Cc2ccccc2)NC(=O)C(CSC)NC(
    =O)COc3cccc4c3ccnc4)O; CSC[C@H](NC(=O)CO
    c1cccc2cnccc12)C(=O)N[C@@H](Cc3ccccc3)[C
    @H](O)C(=O)N4CSC[C@H]4C(=O)NC(C)(C)C; O=
    C(NC(C)(C)C)C4N(C(=O)C(O)C(NC(=O)C(NC(=O
    )COc2c1ccncc1ccc2)CSC)Cc3ccccc3)CSC4    		 (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide;
    KNI-272;
    (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL-METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE
    27145 KNJ
    CHEMBL573975
    ZINC000003925732    		 2 C30 H40 N4 O5 S InChI=1S/C30H40N4O5S/c1-1
    8(2)15-32-28(37)27-30(5,6
    )40-17-34(27)29(38)25(36)
    23(14-21-10-8-7-9-11-21)3
    3-24(35)16-39-26-19(3)12-
    22(31)13-20(26)4/h7-13,23
    ,25,27,36H,1,14-17,31H2,2
    -6H3,(H,32,37)(H,33,35)/t
    23-,25-,27+/m0/s1;
    YCDHYYBDJVMMOY-SCTDOJESSA-N    		 Cc1cc(cc(c1OCC(=O)NC(Cc2ccccc2)C(C(=O)N3
    CSC(C3C(=O)NCC(=C)C)(C)C)O)C)N; Cc1cc(cc
    (c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)
    N3CSC([C@H]3C(=O)NCC(=C)C)(C)C)O)C)N; CC
    (=C)CNC(=O)[CH]1N(CSC1(C)C)C(=O)[CH](O)[
    CH](Cc2ccccc2)NC(=O)COc3c(C)cc(N)cc3C; C
    C(=C)CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H]
    (O)[C@H](Cc2ccccc2)NC(=O)COc3c(C)cc(N)cc
    3C; O=C(NCC(=C)/C)C3N(C(=O)C(O)C(NC(=O)C
    Oc1c(cc(N)cc1C)C)Cc2ccccc2)CSC3(C)C    		 (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide;
    KNI-1689
    27146 KNL
    CHEMBL361845
    ZINC000000123600    		 1 C8 H6 Cl2 O3 InChI=1S/C8H6Cl2O3/c9-5-2
    -1-3-6(10)8(5)13-4-7(11)1
    2/h1-3H,4H2,(H,11,12);
    KHZWIIFEFQBNKL-UHFFFAOYSA-N    		 OC(=O)COc1c(Cl)cccc1Cl; Clc1cccc(Cl)c1OC
    C(=O)O; c1cc(c(c(c1)Cl)OCC(=O)O)Cl    		 (2,6-dichlorophenoxy)acetic acid
    27147 KNM
    ZINC000263620290    		 6 C51 H92 N6 O8 S InChI=1S/C51H92N6O8S/c1-3
    6(2)26-42(21-25-66(7,64)6
    5)55-49(62)44(28-38(5)6)5
    7-50(63)43(27-37(3)4)56-4
    7(60)20-12-8-9-15-22-52-4
    5(58)18-13-10-16-23-53-46
    (59)19-14-11-17-24-54-48(
    61)35-51-32-39-29-40(33-5
    1)31-41(30-39)34-51/h36-4
    4H,8-35H2,1-7H3,(H,52,58)
    (H,53,59)(H,54,61)(H,55,6
    2)(H,56,60)(H,57,63)/t39?
    ,40?,41?,42-,43+,44+,51?/
    m1/s1;
    BVBBFBDIMMETKA-GNKIUVBNSA-N    		 CC(C)C[C@@H](CC[S](C)(=O)=O)NC(=O)[C@H](
    CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCCNC
    (=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(CC(C
    3)C1)C2; CC(C)CC(CCS(=O)(=O)C)NC(=O)C(CC
    (C)C)NC(=O)C(CC(C)C)NC(=O)CCCCCCNC(=O)CC
    CCCNC(=O)CCCCCNC(=O)CC12CC3CC(C1)CC(C3)C
    2; CC(C)C[CH](CC[S](C)(=O)=O)NC(=O)[CH](
    CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)CCCCCCNC(
    =O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(CC(C3
    )C1)C2; CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)
    [C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CC
    CCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3C
    C(C1)CC(C3)C2    		 ADA-(AHX)3-(LEU)3-VINYL SULFONE
    27148 KNN
    CHEMBL268246
    ZINC000000967194    		 0 C8 H11 N InChI=1S/C8H11N/c1-7-4-2-
    3-5-8(7)6-9/h2-5H,6,9H2,1
    H3;
    CJAAPVQEZPAQNI-UHFFFAOYSA-N    		 NCc1ccccc1C; Cc1ccccc1CN 1-(2-methylphenyl)methanamine
    27149 KNP 0 C8 H6 F2 O3 InChI=1S/C8H6F2O3/c9-5-2-
    1-3-6(10)8(5)13-4-7(11)12
    /h1-3H,4H2,(H,11,12);
    OOTAWLNUYMHJOL-UHFFFAOYSA-N    		 OC(=O)COc1c(F)cccc1F; O=C(O)COc1c(F)cccc
    1F; c1cc(c(c(c1)F)OCC(=O)O)F    		 (2,6-difluorophenoxy)acetic acid
    27150 KNR 2 C30 H49 N9 O5 InChI=1S/C30H49N9O5/c1-2-
    3-11-22-27(42)34-15-7-5-1
    3-23(39-30(32)33)28(43)36
    -19-26(41)35-18-21-10-8-9
    -20(16-21)17-25(40)37-24(
    29(44)38-22)12-4-6-14-31/
    h8-10,16,22-24H,2-7,11-15
    ,17-19,31H2,1H3,(H,34,42)
    (H,35,41)(H,36,43)(H,37,4
    0)(H,38,44)(H4,32,33,39)/
    t22-,23+,24-/m0/s1;
    FYKKPXKNPQGZNM-VXNXHJTFSA-N    		 [H]/N=C(\N)/N[C@@H]1CCCCNC(=O)[C@@H](NC(
    =O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CNC1=O
    )CCCCN)CCCC; CCCCC1C(=O)NCCCCC(C(=O)NCC(
    =O)NCc2cccc(c2)CC(=O)NC(C(=O)N1)CCCCN)NC
    (=N)N; CCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)C
    c2cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N
    )=N)c2; CCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(
    =O)Cc2cccc(CNC(=O)CNC(=O)[C@@H](CCCCNC1=
    O)NC(N)=N)c2    		 1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine
    27151 KNS
    CHEMBL4530822    		 4 C23 H31 F2 N3 O InChI=1S/C23H31F2N3O/c1-4
    -29-20-13-19(28(3)14-20)8
    -5-16-11-17(23(25)21(24)1
    2-16)6-7-18-9-15(2)10-22(
    26)27-18/h9-12,19-20H,4-8
    ,13-14H2,1-3H3,(H2,26,27)
    /t19-,20+/m0/s1;
    JJRCJHDDDMVMGM-VQTJNVASSA-N    		 CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F
    )F)CCc3cc(cc(n3)N)C; CCOC1CC(N(C1)C)CCc2
    cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C; CCO[CH]1
    C[CH](CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2
    )N(C)C1; CCO[C@@H]1C[C@H](CCc2cc(F)c(F)c
    (CCc3cc(C)cc(N)n3)c2)N(C)C1; c1(F)c(F)cc
    (cc1CCc2cc(cc(n2)N)C)CCC3CC(CN3C)OCC    		 6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine
    27152 KNT
    CHEMBL21333
    DB01411
    ZINC000001542146    		 1 C27 H23 N5 O4 InChI=1S/C27H23N5O4/c33-2
    3-17-24(26-29-31-32-30-26
    )36-25-21(23)10-6-11-22(2
    5)28-27(34)19-12-14-20(15
    -13-19)35-16-5-4-9-18-7-2
    -1-3-8-18/h1-3,6-8,10-15,
    17H,4-5,9,16H2,(H,28,34)(
    H,29,30,31,32);
    NBQKINXMPLXUET-UHFFFAOYSA-N    		 c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3
    OC(=CC4=O)c5[nH]nnn5; O=C(Nc1cccc2C(=O)C
    =C(Oc12)c3[nH]nnn3)c4ccc(OCCCCc5ccccc5)c
    c4    		 pranlukast
    27153 KNU 1 C10 H11 Cl F N O InChI=1S/C10H11ClFNO/c1-6
    (13-7(2)14)8-3-9(11)5-10(
    12)4-8/h3-6H,1-2H3,(H,13,
    14)/t6-/m0/s1;
    UITKLCSYIUGNOE-LURJTMIESA-N    		 CC(c1cc(cc(c1)Cl)F)NC(=O)C; C[CH](NC(C)=
    O)c1cc(F)cc(Cl)c1; C[C@H](NC(C)=O)c1cc(F
    )cc(Cl)c1; Fc1cc(cc(Cl)c1)C(C)NC(C)=O; C
    [C@@H](c1cc(cc(c1)Cl)F)NC(=O)C    		 N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
    27154 KNV
    CHEMBL4590333    		 8 C20 H25 F2 N3 InChI=1S/C20H25F2N3/c1-13
    -9-16(24-19(23)10-13)5-4-
    15-11-14(12-18(21)20(15)2
    2)3-6-17-7-8-25(17)2/h9-1
    2,17H,3-8H2,1-2H3,(H2,23,
    24)/t17-/m0/s1;
    STGWAFUVRUKRNW-KRWDZBQOSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCC3CCN3C;
    Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3C
    CN3C; c2(CCc1cc(cc(n1)N)C)c(F)c(F)cc(c2)
    CCC3CCN3C; CN1CC[C@@H]1CCc2cc(F)c(F)c(CC
    c3cc(C)cc(N)n3)c2; CN1CC[CH]1CCc2cc(F)c(
    F)c(CCc3cc(C)cc(N)n3)c2    		 6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    27155 KNW 2 C30 H30 Cl F N2 O7 InChI=1S/C30H30ClFN2O7/c3
    1-23-14-11-21(32)17-20(23
    )5-1-2-16-40-22-12-9-19(1
    0-13-22)29(37)33-24-6-3-7
    -25-28(24)41-26(30(38)39)
    18-34(25)15-4-8-27(35)36/
    h3,6-7,9-14,17,26H,1-2,4-
    5,8,15-16,18H2,(H,33,37)(
    H,35,36)(H,38,39)/t26-/m0
    /s1;
    JCUVQOJHURMRKB-SANMLTNESA-N    		 OC(=O)CCCN1C[CH](Oc2c(NC(=O)c3ccc(OCCCCc
    4cc(F)ccc4Cl)cc3)cccc12)C(O)=O; c1cc(c2c
    (c1)N(CC(O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc
    (cc3)OCCCCc4cc(ccc4Cl)F; c1cc(c2c(c1)N(C
    [C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc
    3)OCCCCc4cc(ccc4Cl)F; OC(=O)CCCN1C[C@H](
    Oc2c(NC(=O)c3ccc(OCCCCc4cc(F)ccc4Cl)cc3)
    cccc12)C(O)=O    		 (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid;
    ONO-2570366
    27156 KNX 3 C27 H36 Cl2 N8 O5 InChI=1S/C27H36Cl2N8O5/c2
    8-17-5-4-15-14(9-32-10-16
    (15)20(17)29)3-1-2-7-36(8
    -6-18(30)27(40)41)11-19-2
    2(38)23(39)26(42-19)37-13
    -35-21-24(31)33-12-34-25(
    21)37/h4-5,12-14,18-19,22
    -23,26,32,38-39H,1-3,6-11
    ,30H2,(H,40,41)(H2,31,33,
    34)/t14-,18-,19+,22+,23+,
    26+/m0/s1;
    VHXBLPZYVDYOPX-STPVDRQBSA-N    		 O=C(O)C(N)CCN(CCCCC1CNCc2c1ccc(Cl)c2Cl)C
    C1OC(n2cnc3c(N)ncnc32)C(O)C1O; c1cc(c(c2
    c1C(CNC2)CCCCN(CCC(C(=O)O)N)CC3C(C(C(O3)
    n4cnc5c4ncnc5N)O)O)Cl)Cl; N[CH](CCN(CCCC
    [CH]1CNCc2c(Cl)c(Cl)ccc12)C[CH]3O[CH]([C
    H](O)[CH]3O)n4cnc5c(N)ncnc45)C(O)=O; c1c
    c(c(c2c1[C@H](CNC2)CCCCN(CC[C@@H](C(=O)O
    )N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c
    4ncnc5N)O)O)Cl)Cl; N[C@@H](CCN(CCCC[C@H]
    1CNCc2c(Cl)c(Cl)ccc12)C[C@H]3O[C@H]([C@H
    ](O)[C@@H]3O)n4cnc5c(N)ncnc45)C(O)=O    		 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine
    27157 KNZ 1 C30 H29 F3 N2 O8 InChI=1S/C30H29F3N2O8/c31
    -20-6-3-9-24(27(20)33)42-
    15-2-1-14-41-18-11-12-19(
    21(32)16-18)29(38)34-22-7
    -4-8-23-28(22)43-25(30(39
    )40)17-35(23)13-5-10-26(3
    6)37/h3-4,6-9,11-12,16,25
    H,1-2,5,10,13-15,17H2,(H,
    34,38)(H,36,37)(H,39,40)/
    t25-/m0/s1;
    FRDYFKGGRISGHW-VWLOTQADSA-N    		 OC(=O)CCCN1C[CH](Oc2c(NC(=O)c3ccc(OCCCCO
    c4cccc(F)c4F)cc3F)cccc12)C(O)=O; OC(=O)C
    CCN1C[C@H](Oc2c(NC(=O)c3ccc(OCCCCOc4cccc
    (F)c4F)cc3F)cccc12)C(O)=O; c1cc(c2c(c1)N
    (C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(
    cc3F)OCCCCOc4cccc(c4F)F; c1cc(c2c(c1)N(C
    C(O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3F)O
    CCCCOc4cccc(c4F)F    		 (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid;
    ONO-2080365
    27158 KO0
    CHEMBL57485
    ZINC000013443766    		 2 C22 H35 N O2 InChI=1S/C22H35NO2/c1-14-
    7-6-9-17(23(14)3)11-12-19
    -18-10-5-4-8-16(18)13-20-
    21(19)15(2)25-22(20)24/h1
    1-12,14-21H,4-10,13H2,1-3
    H3/b12-11+/t14-,15-,16+,1
    7+,18+,19-,20-,21+/m0/s1;
    FMPNFDSPHNUFOS-YOASDKSVSA-N    		 C[CH]1CCC[CH](C=C[CH]2[CH]3CCCC[CH]3C[CH
    ]4[CH]2[CH](C)OC4=O)N1C; C[C@H]1CCC[C@H]
    (/C=C/[C@H]2[C@@H]3CCCC[C@@H]3C[C@H]4[C@
    @H]2[C@H](C)OC4=O)N1C; CC1CCCC(N1C)C=CC2
    C3CCCCC3CC4C2C(OC4=O)C; C[C@H]1CCC[C@@H]
    (N1C)/C=C/[C@H]2[C@@H]3CCCC[C@@H]3C[C@H]
    4[C@@H]2[C@@H](OC4=O)C    		 Himbacine;
    (3S,3aR,4S,4R,8aR,9aS)-4-[(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
    27159 KO1
    ZINC000058638802    		 2 C8 H14 O9 InChI=1S/C8H14O9/c9-1-2(1
    0)5-3(11)4(12)6(13)8(16,1
    7-5)7(14)15/h2-6,9-13,16H
    ,1H2,(H,14,15)/t2-,3-,4+,
    5-,6+,8-/m1/s1;
    GQQWVQCNFJXTNV-CXERMUKYSA-N    		 OC[C@@H](O)[C@H]1O[C@](O)([C@@H](O)[C@@H
    ](O)[C@H]1O)C(O)=O; C([C@H]([C@@H]1[C@@H
    ]([C@@H]([C@@H]([C@@](O1)(C(=O)O)O)O)O)O
    )O)O; O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1O;
    OC[CH](O)[CH]1O[C](O)([CH](O)[CH](O)[CH]
    1O)C(O)=O; C(C(C1C(C(C(C(O1)(C(=O)O)O)O)
    O)O)O)O    		 D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid;
    D-glycero-alpha-D-talo-oct-2-ulosonic acid;
    D-glycero-D-talo-oct-2-ulosonic acid;
    D-glycero-talo-oct-2-ulosonic acid
    27160 KO2
    ZINC000058638803    		 11 C11 H18 O9 InChI=1S/C11H18O9/c1-2-3-
    19-11(10(17)18)9(16)7(15)
    6(14)8(20-11)5(13)4-12/h2
    ,5-9,12-16H,1,3-4H2,(H,17
    ,18)/t5-,6-,7+,8-,9+,11-/
    m1/s1;
    MJWRJGHIYDIAQR-RUEXUQCSSA-N    		 OC[CH](O)[CH]1O[C](OCC=C)([CH](O)[CH](O)
    [CH]1O)C(O)=O; OC[C@@H](O)[C@H]1O[C@](OC
    C=C)([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O; C
    =CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C
    @@H](CO)O)O)O)O)C(=O)O; C=CCOC1(C(C(C(C(
    O1)C(CO)O)O)O)O)C(=O)O; O=C(O)C1(OC\C=C)
    OC(C(O)CO)C(O)C(O)C1O    		 prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid;
    prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulosidonic acid;
    prop-2-en-1-yl D-glycero-D-talo-oct-2-ulosidonic acid;
    prop-2-en-1-yl D-glycero-talo-oct-2-ulosidonic acid
    27161 KO3
    CHEMBL2179724
    DB18076
    ZINC000003981939    		 1 C27 H42 O3 InChI=1S/C27H42O3/c1-8-9-
    10-11-12-26(2,3)19-14-23(
    29-6)25(24(15-19)30-7)20-
    13-18(17-28)21-16-22(20)2
    7(21,4)5/h13-15,20-22,28H
    ,8-12,16-17H2,1-7H3/t20-,
    21+,22-/m0/s1;
    CFMRIVODIXTERW-BDTNDASRSA-N    		 CCCCCCC(C)(C)c1cc(c(c(c1)OC)C2C=C(C3CC2C
    3(C)C)CO)OC; CCCCCCC(C)(C)c1cc(c(c(c1)OC
    )[C@H]2C=C([C@H]3C[C@@H]2C3(C)C)CO)OC; C
    CCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]
    3C[C@@H]2C3(C)C)c(OC)c1; CCCCCCC(C)(C)c1
    cc(OC)c([CH]2C=C(CO)[CH]3C[CH]2C3(C)C)c(
    OC)c1    		 [(1~{S},4~{S},5~{S})-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
    27162 KO4 0 H8 K O4 InChI=1/K.4H2O/h;4*1H2/rH
    8KO4/c2-1(3,4)5/h2-5H2;
    WVFORMHKBFWUNT-KSNKIKJPAO    		 [OH2][K]([OH2])([OH2])[OH2]; O|[K](|O)(|
    O)|O    		 POTASSIUM ION, 4 WATERS COORDINATED
    27163 KO5 1 C31 H33 F N2 O7 InChI=1S/C31H33FN2O7/c1-2
    0-10-13-23(32)18-22(20)6-
    2-3-17-40-24-14-11-21(12-
    15-24)30(37)33-25-7-4-8-2
    6-29(25)41-27(31(38)39)19
    -34(26)16-5-9-28(35)36/h4
    ,7-8,10-15,18,27H,2-3,5-6
    ,9,16-17,19H2,1H3,(H,33,3
    7)(H,35,36)(H,38,39)/t27-
    /m0/s1;
    AXUGAYNPVSAVSA-MHZLTWQESA-N    		 Cc1ccc(cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3
    O[C@@H](CN4CCCC(=O)O)C(=O)O)F; Cc1ccc(F)
    cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4N(CCCC(O)
    =O)C[C@H](Oc34)C(O)=O; Cc1ccc(cc1CCCCOc2
    ccc(cc2)C(=O)Nc3cccc4c3OC(CN4CCCC(=O)O)C
    (=O)O)F; Cc1ccc(F)cc1CCCCOc2ccc(cc2)C(=O
    )Nc3cccc4N(CCCC(O)=O)C[CH](Oc34)C(O)=O    		 (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid;
    ONO-2770372
    27164 KO8 1 C25 H31 F N4 O3 InChI=1S/C25H31FN4O3/c1-1
    7(2)14-30-24(31)16-29(25(
    30)32)15-18-3-5-19(6-4-18
    )22-8-7-21(26)23(28-22)13
    -27-20-9-11-33-12-10-20/h
    3-8,17,20,27H,9-16H2,1-2H
    3;
    XYXSWNWZKLEZLR-UHFFFAOYSA-N    		 CC(C)CN1C(=O)CN(C1=O)Cc2ccc(cc2)c3ccc(c(
    n3)CNC4CCOCC4)F; CC(C)CN1C(=O)CN(Cc2ccc(
    cc2)c3ccc(F)c(CNC4CCOCC4)n3)C1=O    		 1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
    27165 KO9 1 C13 H10 N4 O InChI=1S/C13H10N4O/c14-6-
    11-4-12(9-16-8-11)17-13(1
    8)5-10-2-1-3-15-7-10/h1-4
    ,7-9H,5H2,(H,17,18);
    NFHVZMZTKNOYHY-UHFFFAOYSA-N    		 O=C(Nc1cc(cnc1)C#N)Cc1cccnc1; O=C(Cc1ccc
    nc1)Nc2cncc(c2)C#N; c1cc(cnc1)CC(=O)Nc2c
    c(cnc2)C#N    		 N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide
    27166 KOB
    ZINC000004616533    		 1 C13 H10 F N5 O4 S InChI=1S/C13H10FN5O4S/c14
    -8-1-3-9(4-2-8)15-13(24)1
    7-16-11-6-5-10(18(20)21)7
    -12(11)19(22)23/h1-7,16H,
    (H2,15,17,24);
    XAWWYTYFOCONCK-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccc(NNC(=S)Nc2ccc(F)cc2)c(
    c1)[N+]([O-])=O; Fc1ccc(cc1)NC(=S)NNc2cc
    c(cc2[N+]([O-])=O)[N+]([O-])=O; c1cc(ccc
    1NC(=S)NNc2ccc(cc2[N+](=O)[O-])[N+](=O)[
    O-])F    		 2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide
    27167 KOC 1 C35 H40 F2 N5 O7 P S2 InChI=1S/C35H40F2N5O7PS2/
    c1-34(2,3)29(39-30(44)27-
    20-22-19-23(10-13-26(22)5
    2-27)35(36,37)50(47,48)49
    )33(46)42-16-6-7-25(42)32
    (45)41(17-14-28(43)40(4)5
    )24-11-8-21(9-12-24)31-38
    -15-18-51-31/h8-13,15,18-
    20,25,29H,6-7,14,16-17H2,
    1-5H3,(H,39,44)(H2,47,48,
    49)/t25-,29+/m0/s1;
    KJJHAYNANYPNEE-ABYGYWHVSA-N    		 CC(C)(C)C(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)
    C)c2ccc(cc2)c3nccs3)NC(=O)c4cc5cc(ccc5s4
    )C(F)(F)P(=O)(O)O; CN(C)C(=O)CCN(C(=O)[C
    H]1CCCN1C(=O)[CH](NC(=O)c2sc3ccc(cc3c2)C
    (F)(F)[P](O)(O)=O)C(C)(C)C)c4ccc(cc4)c5s
    ccn5; CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=
    O)[C@@H](NC(=O)c2sc3ccc(cc3c2)C(F)(F)[P]
    (O)(O)=O)C(C)(C)C)c4ccc(cc4)c5sccn5; O=P
    (O)(O)C(F)(F)c1cc2cc(sc2cc1)C(=O)NC(C(=O
    )N1CCCC1C(=O)N(CCC(=O)N(C)C)c1ccc(cc1)c1
    nccs1)C(C)(C)C; CC(C)(C)[C@@H](C(=O)N1CC
    C[C@H]1C(=O)N(CCC(=O)N(C)C)c2ccc(cc2)c3n
    ccs3)NC(=O)c4cc5cc(ccc5s4)C(F)(F)P(=O)(O
    )O    		 N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide;
    AK2305
    27168 KOE 1 C20 H17 Br F3 N3 O4 S InChI=1S/C20H17BrF3N3O4S/
    c21-10-2-1-3-11(6-10)32-2
    0-19(30)17(18(29)15(8-28)
    31-20)27-7-14(25-26-27)9-
    4-12(22)16(24)13(23)5-9/h
    1-7,15,17-20,28-30H,8H2/t
    15-,17+,18+,19-,20-/m1/s1;
    SPFBQIPGOIBLKZ-DABHTEOTSA-N    		 c1cc(cc(c1)Br)SC2C(C(C(C(O2)CO)O)n3cc(nn
    3)c4cc(c(c(c4)F)F)F)O; c1cc(cc(c1)Br)S[C
    @@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3
    cc(nn3)c4cc(c(c(c4)F)F)F)O; OC[CH]1O[CH]
    (Sc2cccc(Br)c2)[CH](O)[CH]([CH]1O)n3cc(n
    n3)c4cc(F)c(F)c(F)c4; OC[C@H]1O[C@H](Sc2
    cccc(Br)c2)[C@H](O)[C@H]([C@H]1O)n3cc(nn
    3)c4cc(F)c(F)c(F)c4    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    27169 KOF
    ZINC000064634206    		 8 C10 H21 O12 P InChI=1S/C10H21O12P/c11-1
    -6-8(15)9(16)10(22-6)20-2
    -4(12)7(14)5(13)3-21-23(1
    7,18)19/h4-16H,1-3H2,(H2,
    17,18,19)/t4-,5+,6+,7-,8+
    ,9+,10+/m0/s1;
    JWGOVVCXUKJSKW-DWMNMWHPSA-N    		 OC[CH]1O[CH](OC[CH](O)[CH](O)[CH](O)CO[P
    ](O)(O)=O)[CH](O)[CH]1O; C(C1C(C(C(O1)OC
    C(C(C(COP(=O)(O)O)O)O)O)O)O)O; C([C@@H]1
    [C@H]([C@H]([C@@H](O1)OC[C@@H]([C@@H]([C
    @@H](COP(=O)(O)O)O)O)O)O)O)O; OC[C@H]1O[
    C@@H](OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)
    (O)=O)[C@H](O)[C@@H]1O    		 beta-D-ribosyl-(1->
    1)-D-ribitol-5-phosphate;
    (2R,3S,4S)-5-(((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2,3,4-trihydroxypentyl hydrogen phosphate
    27170 KOH
    ZINC000584905567    		 2 C12 H11 Cl N2 O3 InChI=1S/C12H11ClN2O3/c13
    -9-7-8(12-14-4-5-15-12)1-
    2-10(9)18-6-3-11(16)17/h1
    -2,4-5,7H,3,6H2,(H,14,15)
    (H,16,17);
    JDFUCVHWLSVLIA-UHFFFAOYSA-N    		 OC(=O)CCOc1ccc(cc1Cl)c2[nH]ccn2; c1cc(c(
    cc1c2[nH]ccn2)Cl)OCCC(=O)O    		 3-[2-chloranyl-4-(1~{H}-imidazol-2-yl)phenoxy]propanoic acid
    27171 KOI
    CHEMBL4745997
    ZINC000067797067    		 1 C13 H11 Cl N2 O InChI=1S/C13H11ClN2O/c14-
    11-4-1-3-10(7-11)8-13(17)
    16-12-5-2-6-15-9-12/h1-7,
    9H,8H2,(H,16,17);
    JXVSAHMJMLDNGG-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)CC(=O)Nc2cccnc2; Clc1cccc(
    CC(=O)Nc2cccnc2)c1; O=C(Nc1cccnc1)Cc1ccc
    c(Cl)c1    		 2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide
    27172 KOJ
    CHEMBL287556
    DB01759
    ZINC000013831818    		 16 C6 H6 O4 InChI=1S/C6H6O4/c7-2-4-1-
    5(8)6(9)3-10-4/h1,3,7,9H,
    2H2;
    BEJNERDRQOWKJM-UHFFFAOYSA-N    		 OCC1=CC(=O)C(=CO1)O; C1=C(OC=C(C1=O)O)CO
    ; O=C1C=C(OC=C1O)CO    		 5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE
    27173 KOK 2 C11 H10 N4 O InChI=1S/C11H10N4O/c16-11
    (15-8-6-12-13-15)14-7-5-9
    -3-1-2-4-10(9)14/h1-4,6,8
    H,5,7H2;
    YHDLKWQIQYNPEK-UHFFFAOYSA-N    		 c1ccc2c(c1)CCN2C(=O)n3ccnn3; O=C(n1ccnn1
    )N2CCc3ccccc23; O=C(n1ccnn1)N2c3c(CC2)cc
    cc3    		 (2,3-dihydro-1H-indol-1-yl)(1H-1,2,3-triazol-1-yl)methanone
    27174 KOL 0 C17 H27 N3 O5 S InChI=1S/C17H27N3O5S/c1-8
    -13(11(7-21)9(2)22)19-14(
    17(24)25)15(8)26-10-5-12(
    18-6-10)16(23)20(3)4/h7-1
    3,18-19,22H,5-6H2,1-4H3,(
    H,24,25)/t8-,9-,10+,11-,1
    2+,13-/m1/s1;
    DYQHXZPAIVAJRU-HTXLXMOSSA-N    		 CC1C(NC(=C1SC2CC(NC2)C(=O)N(C)C)C(=O)O)C
    (C=O)C(C)O; C[CH](O)[CH](C=O)[CH]1NC(=C(
    S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O
    ; C[C@@H](O)[C@@H](C=O)[C@@H]1NC(=C(S[C@
    @H]2CN[C@@H](C2)C(=O)N(C)C)[C@@H]1C)C(O)
    =O; O=C(O)C2=C(SC1CC(C(=O)N(C)C)NC1)C(C(
    N2)C(C=O)C(O)C)C; C[C@@H]1[C@@H](NC(=C1S
    [C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H]
    (C=O)[C@@H](C)O    		 (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid;
    Meropenem, open form
    27175 KOM
    CHEMBL1233867
    DB08049
    ZINC000000406883    		 1 C15 H10 O4 InChI=1S/C15H10O4/c16-12-
    7-6-10-11(9-4-2-1-3-5-9)8
    -13(17)19-15(10)14(12)18/
    h1-8,16,18H;
    JRVIIPJSVKTPBK-UHFFFAOYSA-N    		 c1ccc(cc1)C2=CC(=O)Oc3c2ccc(c3O)O; Oc1cc
    c2c(OC(=O)C=C2c3ccccc3)c1O; O=C2Oc1c(O)c
    (O)ccc1C(=C2)c3ccccc3    		 7,8-dihydroxy-4-phenyl-2H-chromen-2-one;
    4-phenyl-7,8-dihydroxycoumarine
    27176 KON 1 C20 H17 F3 I N3 O4 S InChI=1S/C20H17F3IN3O4S/c
    21-12-4-9(5-13(22)16(12)2
    3)14-7-27(26-25-14)17-18(
    29)15(8-28)31-20(19(17)30
    )32-11-3-1-2-10(24)6-11/h
    1-7,15,17-20,28-30H,8H2/t
    15-,17+,18+,19-,20-/m1/s1;
    IJLSMJUIROKJFU-DABHTEOTSA-N    		 OC[CH]1O[CH](Sc2cccc(I)c2)[CH](O)[CH]([C
    H]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4; OC[C@H]
    1O[C@H](Sc2cccc(I)c2)[C@H](O)[C@H]([C@H]
    1O)n3cc(nn3)c4cc(F)c(F)c(F)c4; c1cc(cc(c
    1)I)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)
    CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O; c1cc(
    cc(c1)I)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc
    (c(c(c4)F)F)F)O    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    27177 KOO 2 C52 H54 F2 N7 O10 P S2 InChI=1S/C52H54F2N7O10PS2
    /c1-51(2,3)44(57-46(65)41
    -29-33-28-34(16-20-40(33)
    74-41)52(53,54)72(69,70)7
    1)50(68)60-25-9-13-39(60)
    49(67)59(35-17-14-32(15-1
    8-35)47-55-23-27-73-47)26
    -22-43(63)58(4)24-7-5-6-1
    0-31-11-8-12-36-37(31)30-
    61(48(36)66)38-19-21-42(6
    2)56-45(38)64/h8,11-12,14
    -18,20,23,27-29,38-39,44H
    ,5,7,9,13,19,21-22,24-26,
    30H2,1-4H3,(H,57,65)(H,56
    ,62,64)(H2,69,70,71)/t38-
    ,39+,44-/m1/s1;
    LOPYPDQOHNOVBM-JUDNIGJXSA-N    		 CN(CCCC#Cc1cccc2C(=O)N(Cc12)[CH]3CCC(=O)
    NC3=O)C(=O)CCN(C(=O)[CH]4CCCN4C(=O)[CH](
    NC(=O)c5sc6ccc(cc6c5)C(F)(F)[P](O)(O)=O)
    C(C)(C)C)c7ccc(cc7)c8sccn8; CN(CCCC#Cc1c
    ccc2C(=O)N(Cc12)[C@@H]3CCC(=O)NC3=O)C(=O
    )CCN(C(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)
    c5sc6ccc(cc6c5)C(F)(F)[P](O)(O)=O)C(C)(C
    )C)c7ccc(cc7)c8sccn8; CC(C)(C)C(C(=O)N1C
    CCC1C(=O)N(CCC(=O)N(C)CCCC#Cc2cccc3c2CN(
    C3=O)C4CCC(=O)NC4=O)c5ccc(cc5)c6nccs6)NC
    (=O)c7cc8cc(ccc8s7)C(F)(F)P(=O)(O)O; CC(
    C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CCC(=
    O)N(C)CCCC#Cc2cccc3c2CN(C3=O)[C@@H]4CCC(
    =O)NC4=O)c5ccc(cc5)c6nccs6)NC(=O)c7cc8cc
    (ccc8s7)C(F)(F)P(=O)(O)O; O=P(O)(O)C(F)(
    F)c1cc2cc(sc2cc1)C(=O)NC(C(=O)N1CCCC1C(=
    O)N(CCC(=O)N(C)CCCC#Cc1cccc2C(=O)N(Cc21)
    C1CCC(=O)NC1=O)c1ccc(cc1)c1nccs1)C(C)(C)
    C    		 N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide;
    AK2292
    27178 KOP
    CHEMBL344340
    ZINC000043919916    		 1 C H5 O4 P InChI=1S/CH5O4P/c1-5-6(2,
    3)4/h1H3,(H2,2,3,4);
    CAAULPUQFIIOTL-UHFFFAOYSA-N    		 COP(=O)(O)O; CO[P](O)(O)=O; O=P(OC)(O)O methyl dihydrogen phosphate
    27179 KOQ 1 C20 H26 F N3 O9 S InChI=1S/C20H26FN3O9S/c21
    -9-3-1-8(2-4-9)10-5-24(23
    -22-10)13-14(27)11(6-25)3
    2-19(16(13)29)34-20-18(31
    )17(30)15(28)12(7-26)33-2
    0/h1-5,11-20,25-31H,6-7H2
    /t11-,12-,13+,14+,15-,16-
    ,17+,18-,19+,20+/m1/s1;
    GENRCHHKNABMLO-CPMKIQJPSA-N    		 c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@
    H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([
    C@H](O4)CO)O)O)O)CO)O)F; c1cc(ccc1c2cn(n
    n2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)O)O)C
    O)O)F; OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO
    )[C@H](O)[C@@H]([C@H]2O)n3cc(nn3)c4ccc(F
    )cc4)[C@H](O)[C@@H](O)[C@@H]1O; OC[CH]1O
    [CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n
    3cc(nn3)c4ccc(F)cc4)[CH](O)[CH](O)[CH]1O    		 (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
    27180 KOR 0 C7 H15 N3 O5 S2 InChI=1S/C7H15N3O5S2/c8-4
    (6(11)12)1-2-16-10-17(15)
    3-5(9)7(13)14/h4-5,10H,1-
    3,8-9H2,(H,11,12)(H,13,14
    )/t4-,5-,17+/m0/s1;
    XTMCQXZWONKOFP-QJBRIOCBSA-N    		 C(CSN[S@](=O)C[C@@H](C(=O)O)N)[C@@H](C(=
    O)O)N; N[CH](CCSN[S](=O)C[CH](N)C(O)=O)C
    (O)=O; C(CSNS(=O)CC(C(=O)O)N)C(C(=O)O)N;
    N[C@@H](CCSN[S@](=O)C[C@H](N)C(O)=O)C(O
    )=O; O=S(NSCCC(N)C(=O)O)CC(C(=O)O)N    		 L-HOMOCYSTEINE-S-N-S-L-CYSTEINE;
    N-THIOSULFOXIMIDE
    27181 KOS
    CHEMBL383824
    DB12442
    ZINC000100030312    		 1 C32 H48 N4 O8 InChI=1S/C32H48N4O8/c1-18
    -14-22-27(34-12-13-36(5)6
    )24(37)17-23(29(22)39)35-
    31(40)19(2)10-9-11-25(42-
    7)30(44-32(33)41)21(4)16-
    20(3)28(38)26(15-18)43-8/
    h9-11,16-18,20,25-26,28,3
    0,34,38H,12-15H2,1-8H3,(H
    2,33,41)(H,35,40)/b11-9-,
    19-10+,21-16+/t18-,20+,25
    +,26+,28-,30+/m1/s1;
    KUFRQPKVAWMTJO-LMZWQJSESA-N    		 O=C1C(NCCN(C)C)=C2C(=O)C(=C1)NC(=O)C(=CC
    =CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C
    2)C)C; CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C
    (=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](
    OC(N)=O)\C(=C\[C@H](C)[C@H]1O)C)C)C2=O;
    CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)
    C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O
    )OC; CO[CH]1C[CH](C)CC2=C(NCCN(C)C)C(=O)
    C=C(NC(=O)C(=CC=C[CH](OC)[CH](OC(N)=O)C(
    =C[CH](C)[CH]1O)C)C)C2=O; C[C@H]1C[C@@H]
    ([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=
    C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)
    \C)OC)OC(=O)N)/C)C)O)OC    		 17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN;
    17-DMAG
    27182 KOT
    CHEMBL601227
    ZINC000035823861    		 1 C14 H17 N3 O5 InChI=1S/C14H17N3O5/c18-7
    -10-11(19)12(20)13(21)14(
    22-10)17-6-9(15-16-17)8-4
    -2-1-3-5-8/h1-6,10-14,18-
    21H,7H2/t10-,11-,12+,13-,
    14-/m1/s1;
    SLCZDPXCZLKLKY-RKQHYHRCSA-N    		 c1ccc(cc1)c2cn(nn2)[C@H]3[C@@H]([C@H]([C
    @@H]([C@H](O3)CO)O)O)O; OC[C@H]1O[C@H]([
    C@H](O)[C@@H](O)[C@@H]1O)n2cc(nn2)c3cccc
    c3; c1ccc(cc1)c2cn(nn2)C3C(C(C(C(O3)CO)O
    )O)O; n1nn(cc1c2ccccc2)C3OC(C(O)C(O)C3O)
    CO; OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2
    cc(nn2)c3ccccc3    		 1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole;
    1-beta-D-glucosyl-4-phenyl-1H-1,2,3-triazole;
    1-D-glucosyl-4-phenyl-1H-1,2,3-triazole;
    1-glucosyl-4-phenyl-1H-1,2,3-triazole
    27183 KOU
    ZINC000058650511    		 31 C11 H15 N2 O8 P InChI=1S/C11H15N2O8P/c1-6
    -10(15)8(3-13-9(4-14)11(1
    6)17)7(2-12-6)5-21-22(18,
    19)20/h2-3,9,14-15H,4-5H2
    ,1H3,(H,16,17)(H2,18,19,2
    0)/b13-3+/t9-/m0/s1;
    ZTQZHYMXYBDMIL-BIMOUXMDSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](CO)C(O)
    =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(
    CO)C(=O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O)C=
    NC(CO)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)c(C
    =N[CH](CO)C(O)=O)c1O; O=C(O)C(/N=C/c1c(c
    nc(c1O)C)COP(=O)(O)O)CO    		 (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine
    27184 KOV
    CHEMBL1436
    DB01112
    ZINC000003871978    		 1 C16 H16 N4 O8 S InChI=1S/C16H16N4O8S/c1-2
    6-19-9(8-3-2-4-27-8)12(21
    )18-10-13(22)20-11(15(23)
    24)7(5-28-16(17)25)6-29-1
    4(10)20/h2-4,10,14H,5-6H2
    ,1H3,(H2,17,25)(H,18,21)(
    H,23,24)/b19-9-/t10-,14-/
    m1/s1;
    JFPVXVDWJQMJEE-IZRZKJBUSA-N    		 CON=C(C(=O)N[CH]1[CH]2SCC(=C(N2C1=O)C(O)
    =O)COC(N)=O)c3occc3; O=C(O)C=2N3C(=O)C(N
    C(=O)C(=N\OC)/c1occc1)C3SCC=2COC(=O)N; C
    O/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=
    O)C(=C(CS3)COC(=O)N)C(=O)O; CO/N=C(C(=O)
    N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)COC(N)
    =O)/c3occc3; CON=C(c1ccco1)C(=O)NC2C3N(C
    2=O)C(=C(CS3)COC(=O)N)C(=O)O    		 (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
    Cefuroxime
    27185 KOW 1 C20 H26 F N3 O9 S InChI=1S/C20H26FN3O9S/c21
    -9-3-1-2-8(4-9)10-5-24(23
    -22-10)13-14(27)11(6-25)3
    2-19(16(13)29)34-20-18(31
    )17(30)15(28)12(7-26)33-2
    0/h1-5,11-20,25-31H,6-7H2
    /t11-,12-,13+,14+,15-,16-
    ,17+,18-,19+,20+/m1/s1;
    PZQVUALSHLQTOK-CPMKIQJPSA-N    		 OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH](
    [CH]2O)n3cc(nn3)c4cccc(F)c4)[CH](O)[CH](
    O)[CH]1O; c1cc(cc(c1)F)c2cn(nn2)C3C(C(OC
    (C3O)SC4C(C(C(C(O4)CO)O)O)O)CO)O; c1cc(c
    c(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]
    ([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@
    H](O4)CO)O)O)O)CO)O; OC[C@H]1O[C@@H](S[C
    @@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n3
    cc(nn3)c4cccc(F)c4)[C@H](O)[C@@H](O)[C@@
    H]1O    		 (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
    27186 KOX 2 C11 H9 Cl N2 O S InChI=1S/C11H9ClN2OS/c12-
    9-4-2-1-3-8(9)7-16-10-5-6
    -13-11(15)14-10/h1-4,6H,5
    ,7H2;
    QZJFKUCKQQRGHU-UHFFFAOYSA-N    		 c1ccc(c(c1)CSC2=NC(=O)N=CC2)Cl; Clc1cccc
    c1CSC2=NC(=O)N=CC2    		 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one
    27187 KOY 1 C26 H25 N5 O7 InChI=1S/C26H25N5O7/c27-2
    3-20-24(29-12-28-23)31(13
    -30-20)25-22(34)21(33)19(
    38-25)11-37-15-5-3-4-14(1
    0-15)8-9-18(32)16-6-1-2-7
    -17(16)26(35)36/h1-7,10,1
    2-13,19,21-22,25,33-34H,8
    -9,11H2,(H,35,36)(H2,27,2
    8,29)/t19-,21-,22-,25-/m1
    /s1;
    GEMGRSMVWNUQGG-PTGPVQHPSA-N    		 c12n(cnc1c(ncn2)N)C5OC(COc4cc(CCC(c3c(C(
    O)=O)cccc3)=O)ccc4)C(O)C5O; c1ccc(c(c1)C
    (=O)CCc2cccc(c2)OCC3C(C(C(O3)n4cnc5c4ncn
    c5N)O)O)C(=O)O; Nc1ncnc2n(cnc12)[C@@H]3O
    [C@H](COc4cccc(CCC(=O)c5ccccc5C(O)=O)c4)
    [C@@H](O)[C@H]3O; c1ccc(c(c1)C(=O)CCc2cc
    cc(c2)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4ncnc5N)O)O)C(=O)O; Nc1ncnc2n(cnc12)
    [CH]3O[CH](COc4cccc(CCC(=O)c5ccccc5C(O)=
    O)c4)[CH](O)[CH]3O    		 5'-O-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine
    27188 KOZ 1 C20 H17 Cl F3 N3 O4 S InChI=1S/C20H17ClF3N3O4S/
    c21-10-2-1-3-11(6-10)32-2
    0-19(30)17(18(29)15(8-28)
    31-20)27-7-14(25-26-27)9-
    4-12(22)16(24)13(23)5-9/h
    1-7,15,17-20,28-30H,8H2/t
    15-,17+,18+,19-,20-/m1/s1;
    MJHCQQXAUYYTBY-DABHTEOTSA-N    		 OC[C@H]1O[C@H](Sc2cccc(Cl)c2)[C@H](O)[C@
    H]([C@H]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4; c
    1cc(cc(c1)Cl)S[C@@H]2[C@@H]([C@H]([C@H](
    [C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F
    )O; c1cc(cc(c1)Cl)SC2C(C(C(C(O2)CO)O)n3c
    c(nn3)c4cc(c(c(c4)F)F)F)O; OC[CH]1O[CH](
    Sc2cccc(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn
    3)c4cc(F)c(F)c(F)c4    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    27189 KP0 1 C20 H24 Cl N3 O InChI=1S/C20H24ClN3O/c21-
    17-8-4-10-19(14-17)24(13-
    11-16-6-2-1-3-7-16)20(25)
    23-18-9-5-12-22-15-18/h4-
    5,8-10,12,14-16H,1-3,6-7,
    11,13H2,(H,23,25);
    GCADPMUYKNHGSM-UHFFFAOYSA-N    		 Clc1cccc(c1)N(CCC2CCCCC2)C(=O)Nc3cccnc3;
    O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1
    ; c1cc(cc(c1)Cl)N(CCC2CCCCC2)C(=O)Nc3ccc
    nc3    		 N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea
    27190 KP1
    ZINC000000388623    		 1 C7 H16 O2 InChI=1S/C7H16O2/c1-6(2,8
    )5-7(3,4)9/h8-9H,5H2,1-4H
    3;
    DBTGFWMBFZBBEF-UHFFFAOYSA-N    		 CC(C)(O)CC(C)(C)O; CC(C)(CC(C)(C)O)O; OC
    (C)(C)CC(O)(C)C    		 2,4-dimethylpentane-2,4-diol
    27191 KP2
    CHEMBL3318803
    ZINC000038997834    		 4 C12 H11 N5 InChI=1S/C12H11N5/c13-10-
    9-8(7-4-2-1-3-5-7)6-15-11
    (9)17-12(14)16-10/h1-6H,(
    H5,13,14,15,16,17);
    LEOTWBKRAWDNPV-UHFFFAOYSA-N    		 Nc1nc(N)c2c([nH]cc2c3ccccc3)n1; c1ccc(cc
    1)c2c[nH]c3c2c(nc(n3)N)N; n1c(c2c(nc1N)n
    cc2c3ccccc3)N    		 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
    27192 KP3
    CHEMBL1170851
    ZINC000070672951    		 1 C28 H32 N8 O8 InChI=1S/C28H32N8O8/c1-13
    (4-5-16-21(37)19-17(9-43-
    28(19)40)14(2)24(16)41-3)
    6-35-7-15(33-34-35)8-42-1
    0-18-22(38)23(39)27(44-18
    )36-12-32-20-25(29)30-11-
    31-26(20)36/h4,7,11-12,18
    ,22-23,27,37-39H,5-6,8-10
    H2,1-3H3,(H2,29,30,31)/b1
    3-4+/t18-,22-,23-,27-/m1/
    s1;
    KHAINKCXZBTBIV-WDLZNNHFSA-N    		 COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)Cn3cc(
    COC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c
    (N)ncnc56)nn3; O=C2c1c(O)c(c(c(c1CO2)C)O
    C)C\C=C(/C)Cn3cc(nn3)COCC6C(O)C(C(n4cnc5
    c4ncnc5N)O6)O; Cc1c2c(c(c(c1OC)C/C=C(\C)
    /Cn3cc(nn3)COC[C@@H]4[C@H]([C@H]([C@@H](
    O4)n5cnc6c5ncnc6N)O)O)O)C(=O)OC2; Cc1c2c
    (c(c(c1OC)CC=C(C)Cn3cc(nn3)COCC4C(C(C(O4
    )n5cnc6c5ncnc6N)O)O)O)C(=O)OC2; COc1c(C)
    c2COC(=O)c2c(O)c1CC=C(C)Cn3cc(COC[CH]4O[
    CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)nn3    		 5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine
    27193 KP5 1 C20 H26 F N3 O9 S InChI=1S/C20H26FN3O9S/c21
    -9-4-2-1-3-8(9)10-5-24(23
    -22-10)13-14(27)11(6-25)3
    2-19(16(13)29)34-20-18(31
    )17(30)15(28)12(7-26)33-2
    0/h1-5,11-20,25-31H,6-7H2
    /t11-,12-,13+,14+,15-,16-
    ,17+,18-,19+,20+/m1/s1;
    YTGURWPREJHRAC-CPMKIQJPSA-N    		 c1ccc(c(c1)c2cn(nn2)[C@H]3[C@H]([C@H](O[
    C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]
    ([C@H](O4)CO)O)O)O)CO)O)F; OC[C@H]1O[C@@
    H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H
    ]2O)n3cc(nn3)c4ccccc4F)[C@H](O)[C@@H](O)
    [C@@H]1O; c1ccc(c(c1)c2cn(nn2)C3C(C(OC(C
    3O)SC4C(C(C(C(O4)CO)O)O)O)CO)O)F; OC[CH]
    1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O
    )n3cc(nn3)c4ccccc4F)[CH](O)[CH](O)[CH]1O    		 (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
    27194 KP6
    ZINC000019090604    		 12 C8 H14 N2 O InChI=1S/C8H14N2O/c1-6-8(
    4-5-11)7(2)10(3)9-6/h11H,
    4-5H2,1-3H3;
    QESMYIFDOLAREQ-UHFFFAOYSA-N    		 OCCc1c(nn(c1C)C)C; Cn1nc(C)c(CCO)c1C; Cc
    1c(c(n(n1)C)C)CCO    		 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanol
    27195 KP8 1 C20 H18 F3 N3 O4 S InChI=1S/C20H18F3N3O4S/c2
    1-12-6-10(7-13(22)16(12)2
    3)14-8-26(25-24-14)17-18(
    28)15(9-27)30-20(19(17)29
    )31-11-4-2-1-3-5-11/h1-8,
    15,17-20,27-29H,9H2/t15-,
    17+,18+,19-,20-/m1/s1;
    QOSVQZAABZLGFI-DABHTEOTSA-N    		 c1ccc(cc1)S[C@@H]2[C@@H]([C@H]([C@H]([C@
    H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O;
    OC[CH]1O[CH](Sc2ccccc2)[CH](O)[CH]([CH]
    1O)n3cc(nn3)c4cc(F)c(F)c(F)c4; OC[C@H]1O
    [C@H](Sc2ccccc2)[C@H](O)[C@H]([C@H]1O)n3
    cc(nn3)c4cc(F)c(F)c(F)c4; c1ccc(cc1)SC2C
    (C(C(C(O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)
    F)O    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    27196 KP9 20 C33 H36 N4 O6 InChI=1S/C33H36N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h8-9,11,14-15,26,35H,2
    ,7,10,12-13H2,1,3-6H3,(H,
    36,43)(H,37,42)(H,38,39)(
    H,40,41)/b11-9+,27-14-,28
    -15-/t26-/m1/s1;
    DWOKJMXOEBXRPB-ZHKKBVGESA-N    		 CCC\1=C(C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3
    /C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C
    )/C=C/C(=O)O)CCC(=O)O)C)C; CCC1=C(C(=O)N
    C1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)CC4C(=C
    (C(=O)N4)C=C)C)C)C=CC(=O)O)CCC(=O)O)C)C;
    O=C(O)CCc1c(C)c(/C=C2\NC(=O)C(C)=C2CC)[
    NH]c1/C=C1\N=C(CC2NC(=O)C(C=C)=C2C)C(C)=
    C1/C=C/C(=O)O; CCC1=C(C)C(=O)NC1=Cc2[nH]
    c(C=C3N=C(C[CH]4NC(=O)C(=C4C)C=C)C(=C3C=
    CC(O)=O)C)c(CCC(O)=O)c2C; CCC/1=C(C)C(=O
    )NC/1=C/c2[nH]c(/C=C/3N=C(C[C@H]4NC(=O)C
    (=C4C)C=C)C(=C/3/C=C/C(O)=O)C)c(CCC(O)=O
    )c2C    		 Bilin 618 (single linked);
    (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE
    27197 KPA
    ZINC000024687891    		 1 C5 H9 O6 P InChI=1S/C5H9O6P/c6-4(5(7
    )8)2-1-3-12(9,10)11/h1-3H
    2,(H,7,8)(H2,9,10,11);
    UFXCSKVWNXIICO-UHFFFAOYSA-N    		 C(CC(=O)C(=O)O)CP(=O)(O)O; OC(=O)C(=O)CC
    C[P](O)(O)=O; O=C(C(=O)O)CCCP(=O)(O)O    		 2-OXO-5-PHOSPHONOPENTANOIC ACID
    27198 KPB 1 C20 H17 F4 N3 O4 S InChI=1S/C20H17F4N3O4S/c2
    1-10-2-1-3-11(6-10)32-20-
    19(30)17(18(29)15(8-28)31
    -20)27-7-14(25-26-27)9-4-
    12(22)16(24)13(23)5-9/h1-
    7,15,17-20,28-30H,8H2/t15
    -,17+,18+,19-,20-/m1/s1;
    KBRYUNRFSOLXEK-DABHTEOTSA-N    		 c1cc(cc(c1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c
    4cc(c(c(c4)F)F)F)O)F; c1cc(cc(c1)S[C@@H]
    2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(n
    n3)c4cc(c(c(c4)F)F)F)O)F; OC[CH]1O[CH](S
    c2cccc(F)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)
    c4cc(F)c(F)c(F)c4; OC[C@H]1O[C@H](Sc2ccc
    c(F)c2)[C@H](O)[C@H]([C@H]1O)n3cc(nn3)c4
    cc(F)c(F)c(F)c4    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    27199 KPC
    DB03163
    ZINC000001532281    		 7 C5 H10 O4 S2 InChI=1S/C5H10O4S2/c1-5(6
    )4-10-2-3-11(7,8)9/h2-4H2
    ,1H3,(H,7,8,9);
    CRNXHFXAXBWIRH-UHFFFAOYSA-N    		 CC(=O)CSCCS(=O)(=O)O; CC(=O)CSCC[S](O)(=
    O)=O; O=S(=O)(O)CCSCC(=O)C    		 (2-[2-KETOPROPYLTHIO]ETHANESULFONATE
    27200 KPF
    ZINC000263621204    		 0 C9 H15 F N2 O4 InChI=1S/C9H15FN2O4/c10-5
    -7(9(15)16)12-4-2-1-3-6(1
    1)8(13)14/h6H,1-5,11H2,(H
    ,13,14)(H,15,16)/b12-7+/t
    6-/m0/s1;
    WXGQZGWULWCASD-AVIBYBNCSA-N    		 C(CC/N=C(\CF)/C(=O)O)C[C@@H](C(=O)O)N; N
    [CH](CCCCN=C(CF)C(O)=O)C(O)=O; N[C@@H](C
    CCCN=C(CF)C(O)=O)C(O)=O; C(CCN=C(CF)C(=O
    )O)CC(C(=O)O)N    		 N-(1-carboxy-2-fluoro-ethenyl) lysine
    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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