SEQ2FUN

BioLiP

Search Ligand

Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

Browse Ligand

  • Click # to view 2D diagram of the ligand.
  • 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 ";".

    • << < 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 > >>
    Go to page
    [Click to hide 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, Lydia 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).