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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    25801 K94
    CHEMBL4650303
    ZINC000585143195    		 5 C7 H13 F2 N O2 InChI=1S/C7H13F2NO2/c1-7(
    2,6(8)9)3-4(10)5(11)12/h4
    ,6H,3,10H2,1-2H3,(H,11,12
    )/t4-/m0/s1;
    HRFIMCJTDKEPPV-BYPYZUCNSA-N    		 CC(C)(CC(C(=O)O)N)C(F)F; CC(C)(C[C@@H](C
    (=O)O)N)C(F)F; CC(C)(C[C@H](N)C(O)=O)C(F
    )F; O=C(O)C(N)CC(C)(C)C(F)F; CC(C)(C[CH]
    (N)C(O)=O)C(F)F    		 4-(difluoromethyl)-L-leucine
    25802 K95
    CHEMBL411610
    ZINC000028704146    		 6 C37 H44 N4 O6 S2 InChI=1S/C37H44N4O6S2/c1-
    37(2)33(35(46)40-31-26-17
    -11-10-16-25(26)20-29(31)
    42)41(22-49-37)36(47)32(4
    4)27(18-23-12-6-4-7-13-23
    )39-34(45)28(21-48-3)38-3
    0(43)19-24-14-8-5-9-15-24
    /h4-17,27-29,31-33,42,44H
    ,18-22H2,1-3H3,(H,38,43)(
    H,39,45)(H,40,46)/t27-,28
    -,29+,31-,32-,33+/m0/s1;
    FCTXMHJXDHGIIN-ACUZRORGSA-N    		 CSC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc
    2ccccc2)[C@H](O)C(=O)N3CSC(C)(C)[C@H]3C(
    =O)N[C@@H]4[C@H](O)Cc5ccccc45; CSC[CH](N
    C(=O)Cc1ccccc1)C(=O)N[CH](Cc2ccccc2)[CH]
    (O)C(=O)N3CSC(C)(C)[CH]3C(=O)N[CH]4[CH](
    O)Cc5ccccc45; CC1(C(N(CS1)C(=O)C(C(Cc2cc
    ccc2)NC(=O)C(CSC)NC(=O)Cc3ccccc3)O)C(=O)
    NC4c5ccccc5CC4O)C; CC1([C@H](N(CS1)C(=O)
    [C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC
    (=O)Cc3ccccc3)O)C(=O)N[C@H]4c5ccccc5C[C@
    H]4O)C; O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O
    )C(NC(=O)C(NC(=O)Cc3ccccc3)CSC)Cc4ccccc4
    )CSC5(C)C    		 (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]ami no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide;
    KNI-10395
    25803 K96 1 C10 H18 N2 O3 InChI=1S/C10H18N2O3/c13-1
    0(12-3-6-14-7-4-12)11-8-9
    -2-1-5-15-9/h9H,1-8H2,(H,
    11,13);
    ATXCVEYWESPIDM-UHFFFAOYSA-N    		 O=C(NC[C@@H]1CCCO1)N2CCOCC2; C1C[C@H](OC
    1)CNC(=O)N2CCOCC2; C1CC(OC1)CNC(=O)N2CCO
    CC2; O=C(NC[CH]1CCCO1)N2CCOCC2; O=C(NCC1
    CCCO1)N1CCOCC1    		 N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
    25804 K97
    CHEMBL3443419
    ZINC000040162972    		 2 C14 H16 N2 O3 InChI=1S/C14H16N2O3/c17-1
    4(18)10-1-2-12-11(8-15-13
    (12)7-10)9-16-3-5-19-6-4-
    16/h1-2,7-8,15H,3-6,9H2,(
    H,17,18);
    PGNDNJYNINUQIJ-UHFFFAOYSA-N    		 OC(=O)c1ccc2c(CN3CCOCC3)c[nH]c2c1; O=C(O
    )c3cc1c(c(cn1)CN2CCOCC2)cc3; c1cc2c(cc1C
    (=O)O)[nH]cc2CN3CCOCC3    		 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid
    25805 K99
    ZINC000064754817    		 7 C9 H14 F2 O8 InChI=1S/C9H14F2O8/c10-7-
    5(16)4(15)6(3(14)2(13)1-1
    2)19-9(7,11)8(17)18/h2-7,
    12-16H,1H2,(H,17,18)/t2-,
    3-,4-,5-,6+,7-,9-/m1/s1;
    KSUIKNBQJWNZMW-AWLRDIFTSA-N    		 OC[CH](O)[CH](O)[CH]1O[C](F)([CH](F)[CH]
    (O)[CH]1O)C(O)=O; C(C(C(C1C(C(C(C(O1)(C(
    =O)O)F)F)O)O)O)O)O; C([C@H]([C@H]([C@H]1
    [C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)
    O)O)O)O)O; OC[C@@H](O)[C@@H](O)[C@@H]1O[
    C@](F)([C@H](F)[C@H](O)[C@H]1O)C(O)=O    		 (2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid;
    (2R,3R,4R,5R,6S)-2,3-DIFLUORO-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID
    25806 K9A
    CHEMBL4543226    		 2 C19 H22 N8 InChI=1S/C19H22N8/c1-13-2
    2-10-15(11-23-13)14-3-2-4
    -16(9-14)26-5-7-27(8-6-26
    )17-12-24-19(21)25-18(17)
    20/h2-4,9-12H,5-8H2,1H3,(
    H4,20,21,24,25);
    NLZHOJOCWCLWFT-UHFFFAOYSA-N    		 Nc1ncc(c(n1)N)N2CCN(CC2)c3cc(ccc3)c4cnc(
    nc4)C; Cc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4
    cnc(nc4N)N; Cc1ncc(cn1)c2cccc(c2)N3CCN(C
    C3)c4cnc(N)nc4N    		 5-{4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine
    25807 K9B 3 C19 H29 B N3 O6 InChI=1S/C19H29BN3O6/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)29-20(
    16,27)28/h1-3,12,14,16,22
    ,27-28H,4-11,21H2,(H,23,2
    4)(H,25,26)/q-1/t12-,14-,
    16-/m0/s1;
    BZPCNLIYJBPHQK-NOLJZWGESA-N    		 NCCN[C@H]1CC[C@@H](CC1)CC(=O)N[C@H]2Cc3c
    ccc(C(O)=O)c3O[B-]2(O)O; [B-]1([C@H](Cc2
    cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)(
    O)O; NCCN[CH]1CC[CH](CC1)CC(=O)N[CH]2Cc3
    cccc(C(O)=O)c3O[B-]2(O)O; [B-]1(C(Cc2ccc
    c(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)(O)O    		 (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
    25808 K9C
    CHEMBL5176637    		 9 C10 H13 N3 InChI=1S/C10H13N3/c1-8-6-
    9(4-3-5-12-2)13-10(11)7-8
    /h6-7,12H,5H2,1-2H3,(H2,1
    1,13);
    NNABKXZKYMQGRR-UHFFFAOYSA-N    		 Cc1cc(C#CCNC)nc(N)c1; Cc1cc(nc(c1)N)C#CC
    NC; CNCC#Cc1cc(C)cc(N)n1    		 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine
    25809 K9D 1 C33 H35 N5 O4 S InChI=1S/C33H35N5O4S/c39-
    28(11-4-3-10-27-30-25(19-
    43-27)35-33(42)36-30)34-1
    5-17-38-31(40)23-9-5-8-22
    -26(13-12-24(29(22)23)32(
    38)41)37-16-14-20-6-1-2-7
    -21(20)18-37/h1-2,5-9,12-
    13,25,27,30H,3-4,10-11,14
    -19H2,(H,34,39)(H2,35,36,
    42)/t25-,27-,30-/m0/s1;
    OIYWBNMJMDVZAF-XXJPWZBZSA-N    		 O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN3C
    (=O)c4cccc5c(ccc(C3=O)c45)N6CCc7ccccc7C6
    ; c1ccc2c(c1)CCN(C2)c3ccc4c5c3cccc5C(=O)
    N(C4=O)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7; c
    1ccc2c(c1)CCN(C2)c3ccc4c5c3cccc5C(=O)N(C
    4=O)CCNC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)N
    C(=O)N7; O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N
    [C@H]12)NCCN3C(=O)c4cccc5c(ccc(C3=O)c45)
    N6CCc7ccccc7C6    		 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide
    25810 K9E 2 C12 H19 N2 O8 P InChI=1S/C12H19N2O8P/c1-8
    -11(18)10(3-14-12(5-15,6-
    16)7-17)9(2-13-8)4-22-23(
    19,20)21/h2-3,15-18H,4-7H
    2,1H3,(H2,19,20,21)/b14-3
    +;
    GKGTZXISICTHPS-LZWSPWQCSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=NC(CO)(CO)CO)c1
    O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)(C
    O)CO)O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CO
    )(CO)CO)O    		 [4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
    25811 K9F 4 C20 H18 N4 InChI=1S/C20H18N4/c1-24-1
    4-18(15-6-3-2-4-7-15)23-1
    9(24)11-10-16-8-5-9-17-20
    (16)22-13-12-21-17/h2-9,1
    2-14H,10-11H2,1H3;
    LGRCDJCDDQBUGZ-UHFFFAOYSA-N    		 Cn1cc(nc1CCc2cccc3nccnc23)c4ccccc4; Cn1c
    c(nc1CCc2cccc3c2nccn3)c4ccccc4; Cn1cc(nc
    1CCc1cccc2nccnc12)c1ccccc1    		 5-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline
    25812 K9G 2 C42 H83 N O8 P InChI=1S/C42H83NO8P/c1-6-
    8-10-12-14-16-18-20-21-23
    -25-27-29-31-33-35-42(45)
    51-40(39-50-52(46,47)49-3
    7-36-43(3,4)5)38-48-41(44
    )34-32-30-28-26-24-22-19-
    17-15-13-11-9-7-2/h20-21,
    40H,6-19,22-39H2,1-5H3,(H
    ,46,47)/t40-/m1/s1;
    BOJPVJHVFVFGBS-RRHRGVEJSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC
    C[N](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC; CC
    CCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC
    C[N](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC; CC
    CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N](C
    )(C)C)OC(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCC
    CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N](C)
    (C)C)OC(=O)CCCCCCCC=CCCCCCCCC    		 [(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] octadec-9-enoate
    25813 K9H
    CHEMBL492471
    ZINC000049878385    		 8 C17 H31 N O7 P2 InChI=1S/C17H31NO7P2/c1-2
    -3-4-5-6-7-8-9-10-25-16-1
    1-15(13-18-14-16)12-17(26
    (19,20)21)27(22,23)24/h11
    ,13-14,17H,2-10,12H2,1H3,
    (H2,19,20,21)(H2,22,23,24
    );
    CXNUSEYMNGPVLV-UHFFFAOYSA-N    		 CCCCCCCCCCOc1cncc(CC([P](O)(O)=O)[P](O)(
    O)=O)c1; O=P(O)(O)C(P(=O)(O)O)Cc1cncc(OC
    CCCCCCCCC)c1; CCCCCCCCCCOc1cc(cnc1)CC(P(
    =O)(O)O)P(=O)(O)O    		 {2-[5-(decyloxy)pyridin-3-yl]ethane-1,1-diyl}bis(phosphonic acid)
    25814 K9I 1 C26 H40 O7 InChI=1S/C26H40O7/c1-6-17
    (15-27)10-16(2)22-13-20(3
    2-5)14-23(29)26(3,4)19-9-
    7-8-18(11-19)12-21(28)24(
    30)25(31)33-22/h7-11,17,2
    0-24,27-30H,6,12-15H2,1-5
    H3/b16-10-/t17-,20-,21-,2
    2+,23+,24+/m1/s1;
    QQBSDIIBIDGOMZ-GJULWDICSA-N    		 CCC(CO)C=C(C)C1CC(CC(C(c2cccc(c2)CC(C(C(
    =O)O1)O)O)(C)C)O)OC; CC[C@@H](CO)/C=C(/C
    )\[C@@H]1C[C@H](C[C@@H](C(c2cccc(c2)C[C@
    H]([C@@H](C(=O)O1)O)O)(C)C)O)OC; CC[C@@H
    ](CO)\C=C(\C)[C@@H]1C[C@H](C[C@H](O)C(C)
    (C)c2cccc(C[C@@H](O)[C@H](O)C(=O)O1)c2)O
    C; CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(
    C)(C)c2cccc(C[CH](O)[CH](O)C(=O)O1)c2)OC    		 (3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one
    25815 K9J 1 C29 H38 N6 O3 InChI=1S/C29H38N6O3/c1-5-
    27(37)33-12-14-34(15-13-3
    3)28-24-10-11-35(26-17-22
    (36)16-21-8-6-7-9-23(21)2
    6)19-25(24)30-29(31-28)38
    -20(2)18-32(3)4/h6-9,16-1
    7,20,36H,5,10-15,18-19H2,
    1-4H3/t20-/m1/s1;
    XWVXFKORKNADOR-HXUWFJFHSA-N    		 CCC(=O)N1CCN(CC1)c2c3c(nc(n2)O[C@H](C)CN
    (C)C)CN(CC3)c4cc(cc5c4cccc5)O; CCC(=O)N1
    CCN(CC1)c2nc(O[C@H](C)CN(C)C)nc3CN(CCc23
    )c4cc(O)cc5ccccc45; CCC(=O)N1CCN(CC1)c2n
    c(O[CH](C)CN(C)C)nc3CN(CCc23)c4cc(O)cc5c
    cccc45; c5c(N3Cc1c(c(nc(OC(CN(C)C)C)n1)N
    2CCN(CC2)C(=O)CC)CC3)c4ccccc4cc5O; CCC(=
    O)N1CCN(CC1)c2c3c(nc(n2)OC(C)CN(C)C)CN(C
    C3)c4cc(cc5c4cccc5)O    		 1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
    25816 K9K 3 C19 H27 B N3 O5 InChI=1S/C19H27BN3O5/c21-
    8-9-22-14-6-4-12(5-7-14)1
    0-17-23-16-11-13-2-1-3-15
    (19(24)25)18(13)28-20(16,
    26)27-17/h1-3,12,14,16,22
    ,26H,4-11,21H2,(H,24,25)/
    q-1/t12-,14-,16-,20-/m0/s
    1;
    SXCHFKLXJGSRKQ-DXJCSPRDSA-N    		 NCCN[CH]1CC[CH](CC1)CC2=N[CH]3Cc4cccc(C(
    O)=O)c4O[B-]3(O)O2; NCCN[C@@H]1CC[C@H](C
    C1)CC2=N[C@H]3Cc4cccc(C(O)=O)c4O[B-]3(O)
    O2; [B-]12([C@H](Cc3cccc(c3O1)C(=O)O)N=C
    (O2)CC4CCC(CC4)NCCN)O; [B-]12(C(Cc3cccc(
    c3O1)C(=O)O)N=C(O2)CC4CCC(CC4)NCCN)O    		 (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide
    25817 K9L
    CHEMBL3547162
    ZINC000263620340    		 2 C19 H20 F N5 InChI=1S/C19H20FN5/c20-16
    -3-1-2-14(11-16)10-15-12-
    18(15)22-6-4-17-5-7-23-19
    (24-17)25-9-8-21-13-25/h1
    -3,5,7-9,11,13,15,18,22H,
    4,6,10,12H2/t15-,18-/m0/s
    1;
    CYEVFFVOLRMDHH-YJBOKZPZSA-N    		 Fc1cccc(C[CH]2C[CH]2NCCc3ccnc(n3)n4ccnc4
    )c1; Fc1cccc(c1)CC4CC4NCCc2nc(ncc2)n3ccn
    c3; c1cc(cc(c1)F)CC2CC2NCCc3ccnc(n3)n4cc
    nc4; c1cc(cc(c1)F)C[C@H]2C[C@@H]2NCCc3cc
    nc(n3)n4ccnc4; Fc1cccc(C[C@H]2C[C@@H]2NC
    Cc3ccnc(n3)n4ccnc4)c1    		 (1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine
    25818 K9M 1 C24 H27 N5 O InChI=1S/C24H27N5O/c1-2-2
    3(30)27-12-14-28(15-13-27
    )24-20-10-11-29(16-21(20)
    25-17-26-24)22-9-5-7-18-6
    -3-4-8-19(18)22/h3-9,17H,
    2,10-16H2,1H3;
    XUTSLHHFLGGLJU-UHFFFAOYSA-N    		 CCC(=O)N1CCN(CC1)c2c3c(ncn2)CN(CC3)c4ccc
    c5c4cccc5; CCC(=O)N1CCN(CC1)c2ncnc3CN(CC
    c23)c4cccc5ccccc45; c5c(N2Cc3ncnc(N1CCN(
    CC1)C(=O)CC)c3CC2)c4ccccc4cc5    		 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
    25819 K9N 1 C10 H14 N2 O S InChI=1S/C10H14N2OS/c1-7-
    6-14-9(12-7)5-11-10(13)8-
    3-2-4-8/h6,8H,2-5H2,1H3,(
    H,11,13);
    YMWFZAPJPMKMSQ-UHFFFAOYSA-N    		 Cc1csc(n1)CNC(=O)C2CCC2; Cc1csc(CNC(=O)C
    2CCC2)n1; O=C(NCc1nc(C)cs1)C1CCC1    		 N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutanecarboxamide
    25820 K9O 4 C21 H20 Cl N5 O InChI=1S/C21H20ClN5O/c1-1
    3(2)12-27-19(16(22)11-23-
    27)21(28)24-15-8-9-17-18(
    10-15)26-20(25-17)14-6-4-
    3-5-7-14/h3-11,13H,12H2,1
    -2H3,(H,24,28)(H,25,26);
    WUTXTLLQXHZSAP-UHFFFAOYSA-N    		 Clc1cnn(CC(C)C)c1C(=O)Nc1ccc2nc([NH]c2c1
    )c1ccccc1; CC(C)Cn1c(c(cn1)Cl)C(=O)Nc2cc
    c3c(c2)[nH]c(n3)c4ccccc4; CC(C)Cn1ncc(Cl
    )c1C(=O)Nc2ccc3nc([nH]c3c2)c4ccccc4    		 4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide
    25821 K9P
    ZINC000263620996    		 7 C19 H23 N O2 InChI=1S/C19H23NO2/c1-3-4
    -5-10-18(22)20-12-13(2)19
    -15-9-7-6-8-14(15)17(21)1
    1-16(19)20/h6-9,11,13,21H
    ,3-5,10,12H2,1-2H3/t13-/m
    1/s1;
    RUAITRBXVQXTLB-CYBMUJFWSA-N    		 CCCCCC(=O)N1CC(c2c1cc(c3c2cccc3)O)C; CCC
    CCC(=O)N1C[CH](C)c2c1cc(O)c3ccccc23; CCC
    CCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C; CC
    CCCC(=O)N1C[C@@H](C)c2c1cc(O)c3ccccc23    		 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one
    25822 K9Q 2 C20 H25 N3 O2 InChI=1S/C20H25N3O2/c21-1
    2-17(23-20(25)19-11-18(24
    )13-22-19)10-14-6-8-16(9-
    7-14)15-4-2-1-3-5-15/h1-9
    ,17-19,22,24H,10-13,21H2,
    (H,23,25)/t17-,18+,19-/m0
    /s1;
    WUFQVJYTXQDLCX-OTWHNJEPSA-N    		 NC[CH](Cc1ccc(cc1)c2ccccc2)NC(=O)[CH]3C[
    CH](O)CN3; NC[C@H](Cc1ccc(cc1)c2ccccc2)N
    C(=O)[C@@H]3C[C@@H](O)CN3; c1ccc(cc1)c2c
    cc(cc2)CC(CN)NC(=O)C3CC(CN3)O; c1ccc(cc1
    )c2ccc(cc2)C[C@@H](CN)NC(=O)[C@@H]3C[C@H
    ](CN3)O    		 (2~{S},4~{R})-~{N}-[(2~{S})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
    25823 K9R 2 C23 H29 N3 O4 S3 InChI=1S/C23H29N3O4S3/c27
    -17-8-15(22(29)20(17)14-6
    -12(9-31)5-13(7-14)10-32)
    24-19(28)4-2-1-3-18-21-16
    (11-33-18)25-23(30)26-21/
    h5-7,15-16,18,20-21,31-32
    H,1-4,8-11H2,(H,24,28)(H2
    ,25,26,30)/t15-,16+,18+,2
    0+,21+/m1/s1;
    UYYZXEJGUBQKBA-JSCGBJRHSA-N    		 c1c(cc(cc1CS)[C@H]2C(=O)C[C@H](C2=O)NC(=
    O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)CS
    ; c1c(cc(cc1CS)C2C(=O)CC(C2=O)NC(=O)CCCC
    C3C4C(CS3)NC(=O)N4)CS; SCc1cc(CS)cc(c1)[
    C@H]2C(=O)C[C@@H](NC(=O)CCCC[C@@H]3SC[C@
    @H]4NC(=O)N[C@H]34)C2=O; SCc1cc(CS)cc(c1
    )[CH]2C(=O)C[CH](NC(=O)CCCC[CH]3SC[CH]4N
    C(=O)N[CH]34)C2=O    		 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(1~{R},3~{S})-3-[3,5-bis(sulfanylmethyl)phenyl]-2,4-bis(oxidanylidene)cyclopentyl]pentanamide
    25824 K9S
    CHEMBL1922273
    ZINC000000158714    		 1 C9 H9 N S InChI=1S/C9H9NS/c10-5-7-6
    -11-9-4-2-1-3-8(7)9/h1-4,
    6H,5,10H2;
    WHTPXNOFEHTZAD-UHFFFAOYSA-N    		 NCc1csc2ccccc12; c1ccc2c(c1)c(cs2)CN; s2
    c1ccccc1c(c2)CN    		 1-(1-BENZOTHIOPHEN-3-YL)METHANAMINE
    25825 K9T
    CHEMBL4596287    		 2 C21 H23 N4 O7 P S2 InChI=1S/C21H23N4O7PS2/c1
    -21(2,3)35(29,30)19-9-14-
    15(10-17(19)31-6-7-32-33(
    26,27)28)22-11-23-20(14)2
    5-13-4-5-18-16(8-13)24-12
    -34-18/h4-5,8-12H,6-7H2,1
    -3H3,(H,22,23,25)(H2,26,2
    7,28);
    MJLYDVMFNHZMLV-UHFFFAOYSA-N    		 CC(C)(C)[S](=O)(=O)c1cc2c(Nc3ccc4scnc4c3
    )ncnc2cc1OCCO[P](O)(O)=O; CC(C)(C)S(=O)(
    =O)c1cc2c(cc1OCCOP(=O)(O)O)ncnc2Nc3ccc4c
    (c3)ncs4    		 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate
    25826 K9U 2 C24 H21 Cl2 F3 N4 O3 InChI=1S/C24H21Cl2F3N4O3/
    c25-17-6-5-14(11-18(17)26
    )32-9-10-33(20(13-32)22(3
    5)30-8-7-24(27,28)29)23(3
    6)16-12-21(34)31-19-4-2-1
    -3-15(16)19/h1-6,11-12,20
    H,7-10,13H2,(H,30,35)(H,3
    1,34)/t20-/m0/s1;
    QFILEVBXLNLABP-FQEVSTJZSA-N    		 c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(C[C@H]
    3C(=O)NCCC(F)(F)F)c4ccc(c(c4)Cl)Cl; c1cc
    c2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3C(=O)NC
    CC(F)(F)F)c4ccc(c(c4)Cl)Cl; FC(F)(F)CCNC
    (=O)[CH]1CN(CCN1C(=O)C2=CC(=O)Nc3ccccc23
    )c4ccc(Cl)c(Cl)c4; FC(F)(F)CCNC(=O)[C@@H
    ]1CN(CCN1C(=O)C2=CC(=O)Nc3ccccc23)c4ccc(
    Cl)c(Cl)c4    		 (2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide
    25827 K9V 1 C23 H28 F2 N2 O2 InChI=1S/C23H28F2N2O2/c24
    -21-9-4-10-22(25)20(21)16
    -29-19-13-11-18(12-14-19)
    27-23(28)26-15-5-8-17-6-2
    -1-3-7-17/h1-4,6-7,9-10,1
    8-19H,5,8,11-16H2,(H2,26,
    27,28)/t18-,19+;
    YXIUOVJEXYHABJ-KDURUIRLSA-N    		 c3ccc(CCCNC(=O)NC1CCC(CC1)OCc2c(F)cccc2F
    )cc3; Fc1cccc(F)c1CO[CH]2CC[CH](CC2)NC(=
    O)NCCCc3ccccc3; Fc1cccc(F)c1CO[C@@H]2CC[
    C@@H](CC2)NC(=O)NCCCc3ccccc3; c1ccc(cc1)
    CCCNC(=O)NC2CCC(CC2)OCc3c(cccc3F)F    		 N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea
    25828 K9W 3 C21 H24 N4 O InChI=1S/C21H24N4O/c22-13
    -16-5-9-18(10-6-16)17-7-3
    -15(4-8-17)12-19(14-23)25
    -21(26)20-2-1-11-24-20/h3
    -10,19-20,24H,1-2,11-12,1
    4,23H2,(H,25,26)/t19-,20-
    /m0/s1;
    NVHUWMJPJVDTBQ-PMACEKPBSA-N    		 NC[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C
    H]3CCCN3; NC[C@H](Cc1ccc(cc1)c2ccc(cc2)C
    #N)NC(=O)[C@@H]3CCCN3; c1cc(ccc1CC(CN)NC
    (=O)C2CCCN2)c3ccc(cc3)C#N; c1cc(ccc1C[C@
    @H](CN)NC(=O)[C@@H]2CCCN2)c3ccc(cc3)C#N    		 (2~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
    25829 K9X 4 C18 H15 Br N6 O InChI=1S/C18H15BrN6O/c1-1
    1-15(19)16(24(2)23-11)17(
    26)21-14-8-9-25-10-13(20-
    18(25)22-14)12-6-4-3-5-7-
    12/h3-10H,1-2H3,(H,20,21,
    22,26);
    WSHVMTZVYFWBGT-UHFFFAOYSA-N    		 Cn1nc(C)c(Br)c1C(=O)Nc2ccn3cc(nc3n2)c4cc
    ccc4; Cc1c(c(n(n1)C)C(=O)Nc2ccn3cc(nc3n2
    )c4ccccc4)Br; Brc1c(C(=O)Nc2ccn3cc(nc3n2
    )c2ccccc2)n(C)nc1C    		 4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
    25830 K9Y
    CHEMBL2425144
    ZINC000034783328    		 1 C26 H27 N9 O InChI=1S/C26H27N9O/c1-16-
    5-9-19(10-6-16)35-21(13-2
    0(33-35)26(2,3)4)32-25(36
    )31-17-7-11-18(12-8-17)34
    -15-30-22-23(27)28-14-29-
    24(22)34/h5-15H,1-4H3,(H2
    ,27,28,29)(H2,31,32,36);
    INQBVHWEOAKYED-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3ccc(cc3)n4cn
    c5c(N)ncnc45)C(C)(C)C; Cc1ccc(cc1)n2c(cc
    (n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)n4cnc5c4nc
    nc5N; O=C(Nc3ccc(n1c2ncnc(N)c2nc1)cc3)Nc
    5cc(nn5c4ccc(cc4)C)C(C)(C)C    		 1-[4-(6-amino-9H-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea
    25831 K9Z 3 C21 H24 N4 O2 InChI=1S/C21H24N4O2/c22-1
    1-15-3-7-17(8-4-15)16-5-1
    -14(2-6-16)9-18(12-23)25-
    21(27)20-10-19(26)13-24-2
    0/h1-8,18-20,24,26H,9-10,
    12-13,23H2,(H,25,27)/t18-
    ,19-,20-/m0/s1;
    SNHLARAYZCCABX-UFYCRDLUSA-N    		 NC[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C
    H]3C[CH](O)CN3; c1cc(ccc1CC(CN)NC(=O)C2C
    C(CN2)O)c3ccc(cc3)C#N; NC[C@H](Cc1ccc(cc
    1)c2ccc(cc2)C#N)NC(=O)[C@@H]3C[C@H](O)CN
    3; c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@
    @H](CN2)O)c3ccc(cc3)C#N    		 (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
    25832 KA0
    ZINC000058172512    		 1 C18 H21 N5 O3 InChI=1S/C18H21N5O3/c1-18
    (2,3)23-15-12(8-19-23)16(
    24)21-17(20-15)22(4)9-11-
    5-6-13-14(7-11)26-10-25-1
    3/h5-8H,9-10H2,1-4H3,(H,2
    0,21,24);
    HNJXZNHWBQNLOM-UHFFFAOYSA-N    		 CC(C)(C)n1c2c(cn1)C(=O)NC(=N2)N(C)Cc3ccc
    4c(c3)OCO4; CN(Cc1ccc2OCOc2c1)C3=Nc4n(nc
    c4C(=O)N3)C(C)(C)C    		 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one
    25833 KA2
    CHEMBL4514780
    ZINC000205398491    		 2 C21 H22 N4 O4 S2 InChI=1S/C21H22N4O4S2/c1-
    21(2,3)31(27,28)19-9-14-1
    5(10-17(19)29-7-6-26)22-1
    1-23-20(14)25-13-4-5-18-1
    6(8-13)24-12-30-18/h4-5,8
    -12,26H,6-7H2,1-3H3,(H,22
    ,23,25);
    UHDOJINBFLDQJM-UHFFFAOYSA-N    		 CC(C)(C)[S](=O)(=O)c1cc2c(Nc3ccc4scnc4c3
    )ncnc2cc1OCCO; CC(C)(C)S(=O)(=O)c1cc2c(c
    c1OCCO)ncnc2Nc3ccc4c(c3)ncs4    		 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol
    25834 KA3 1 C11 H20 N2 O2 InChI=1S/C11H20N2O2/c1-15
    -10-4-6-13(7-5-10)11(14)1
    2-8-9-2-3-9/h9-10H,2-8H2,
    1H3,(H,12,14);
    WCMIDDIKVJWNCW-UHFFFAOYSA-N    		 COC1CCN(CC1)C(=O)NCC2CC2; O=C(NCC1CC1)N1
    CCC(OC)CC1    		 N-(cyclopropylmethyl)-4-methoxypiperidine-1-carboxamide
    25835 KA4 1 C19 H12 Cl2 F2 N4 O3 S InChI=1S/C19H12Cl2F2N4O3S
    /c20-12-5-11(9-28)17(21)1
    6(6-12)31(29,30)27-15-4-3
    -14(22)13(18(15)23)2-1-10
    -7-25-19(24)26-8-10/h3-8,
    27-28H,9H2,(H2,24,25,26);
    VJXAWOQPYMAEFQ-UHFFFAOYSA-N    		 c1cc(c(c(c1NS(=O)(=O)c2cc(cc(c2Cl)CO)Cl)
    F)C#Cc3cnc(nc3)N)F; Nc1ncc(cn1)C#Cc2c(F)
    ccc(N[S](=O)(=O)c3cc(Cl)cc(CO)c3Cl)c2F;
    Nc1ncc(cn1)C#Cc2c(ccc(c2F)NS(c3c(Cl)c(cc
    (c3)Cl)CO)(=O)=O)F    		 N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide
    25836 KA5
    CHEMBL138060
    ZINC000003814851    		 2 C17 H18 Cl N5 O2 InChI=1S/C17H18ClN5O2/c1-
    24-10-3-6-13(25-2)9(7-10)
    8-21-12-5-4-11-14(15(12)1
    8)16(19)23-17(20)22-11/h3
    -7,21H,8H2,1-2H3,(H4,19,2
    0,22,23);
    ZQYDKYDSKVGDJP-UHFFFAOYSA-N    		 Clc2c1c(nc(nc1N)N)ccc2NCc3cc(OC)ccc3OC;
    COc1ccc(c(c1)CNc2ccc3c(c2Cl)c(nc(n3)N)N)
    OC; COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2C
    l)c1    		 5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine
    25837 KA6 4 C20 H24 N8 O3 InChI=1S/C20H24N8O3/c1-25
    -17(15(13-21-25)19(30)26-
    8-10-31-11-9-26)18(29)22-
    14-4-7-28-16(12-14)23-20(
    24-28)27-5-2-3-6-27/h4,7,
    12-13H,2-3,5-6,8-11H2,1H3
    ,(H,22,29);
    CYTHALBFRRATMJ-UHFFFAOYSA-N    		 Cn1c(c(cn1)C(=O)N2CCOCC2)C(=O)Nc3ccn4c(c
    3)nc(n4)N5CCCC5; O=C(c1cnn(C)c1C(=O)Nc1c
    c2nc(nn2cc1)N1CCCC1)N1CCOCC1; Cn1ncc(C(=
    O)N2CCOCC2)c1C(=O)Nc3ccn4nc(nc4c3)N5CCCC
    5    		 1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-(pyrrolidin-1-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
    25838 KA7 1 C18 H12 Cl F2 N5 O3 S InChI=1S/C18H12ClF2N5O3S/
    c1-29-17-15(6-11(19)9-23-
    17)30(27,28)26-14-5-4-13(
    20)12(16(14)21)3-2-10-7-2
    4-18(22)25-8-10/h4-9,26H,
    1H3,(H2,22,24,25);
    JGHVXJKGYJYWOP-UHFFFAOYSA-N    		 c2c(c(C#Cc1cnc(N)nc1)c(F)c(c2)NS(c3cc(cn
    c3OC)Cl)(=O)=O)F; COc1c(cc(cn1)Cl)S(=O)(
    =O)Nc2ccc(c(c2F)C#Cc3cnc(nc3)N)F; COc1nc
    c(Cl)cc1[S](=O)(=O)Nc2ccc(F)c(C#Cc3cnc(N
    )nc3)c2F    		 N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide
    25839 KA8 2 C21 H23 F N4 O InChI=1S/C21H23FN4O/c22-1
    8-10-20(25-13-18)21(27)26
    -19(12-24)9-14-1-5-16(6-2
    -14)17-7-3-15(11-23)4-8-1
    7/h1-8,18-20,25H,9-10,12-
    13,24H2,(H,26,27)/t18-,19
    -,20-/m0/s1;
    RGWNXQWTRNJRSW-UFYCRDLUSA-N    		 c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@@H]
    (CN2)F)c3ccc(cc3)C#N; NC[CH](Cc1ccc(cc1)
    c2ccc(cc2)C#N)NC(=O)[CH]3C[CH](F)CN3; c1
    cc(ccc1CC(CN)NC(=O)C2CC(CN2)F)c3ccc(cc3)
    C#N; NC[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC
    (=O)[C@@H]3C[C@H](F)CN3    		 (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
    25840 KA9
    CHEMBL4581204
    ZINC000006794088    		 1 C20 H19 N5 O S InChI=1S/C20H19N5OS/c1-24
    -16-9-8-15(10-17(16)25(2)
    20(24)26)23-18-11-19(22-1
    3-21-18)27-12-14-6-4-3-5-
    7-14/h3-11,13H,12H2,1-2H3
    ,(H,21,22,23);
    UFPZSUZTGMULLK-UHFFFAOYSA-N    		 CN1C(=O)N(C)c2cc(Nc3cc(SCc4ccccc4)ncn3)c
    cc12; CN1c2ccc(cc2N(C1=O)C)Nc3cc(ncn3)SC
    c4ccccc4    		 1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one
    25841 KAA
    CHEMBL1163083
    ZINC000040956727    		 24 C16 H26 N8 O7 S InChI=1S/C16H26N8O7S/c17-
    4-2-1-3-8(18)15(27)23-32(
    28,29)30-5-9-11(25)12(26)
    16(31-9)24-7-22-10-13(19)
    20-6-21-14(10)24/h6-9,11-
    12,16,25-26H,1-5,17-18H2,
    (H,23,27)(H2,19,20,21)/t8
    -,9+,11+,12+,16+/m0/s1;
    NARKTLKJPPMFJF-LEJQEAHTSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)
    O)N; NCCCC[CH](N)C(=O)N[S](=O)(=O)OC[CH]
    1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23; N
    CCCC[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C
    @H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; O
    =C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O
    )C3O)C(N)CCCCN; c1nc(c2c(n1)n(cn2)C3C(C(
    C(O3)COS(=O)(=O)NC(=O)C(CCCCN)N)O)O)N    		 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE;
    5'-O-[N-(L-LYSYL)SULFAMOYL]ADENOSINE
    25842 KAB
    DB03616
    ZINC000263621247    		 3 C48 H75 N5 O14 InChI=1S/C48H75N5O14/c1-2
    7-19-33(66-48(49)58)21-43
    (57)67-41(22-40(60-9)28(2
    )15-16-37(55)30(4)44(61-1
    0)29(3)17-18-53(7)26-54)3
    2(6)39(59-8)13-12-14-42-5
    0-35(24-63-42)46-52-36(25
    -65-46)47-51-34(23-64-47)
    45(62-11)31(5)38(56)20-27
    /h12,14,17-18,23-25,27-33
    ,38-41,44-45,48,54,56,58H
    ,13,15-16,19-22,26,49H2,1
    -11H3/b14-12+,18-17+/t27-
    ,28-,29+,30-,31-,32+,33-,
    38-,39-,40-,41-,44+,45+,4
    8+/m0/s1;
    XYKNXOJYKRVXBX-ZAUPHERQSA-N    		 C[C@H]1C[C@@H](CC(=O)O[C@H]([C@@H]([C@H]
    (C\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@@
    H]([C@H]([C@H](C1)O)C)OC)OC)C)C[C@@H]([C
    @@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)\C=
    C\N(C)CO)OC)OC)O[C@H](N)O; CC1CC(CC(=O)O
    C(C(C(CC=Cc2nc(co2)-c3nc(co3)-c4nc(co4)C
    (C(C(C1)O)C)OC)OC)C)CC(C(C)CCC(=O)C(C)C(
    C(C)C=CN(C)CO)OC)OC)OC(N)O; O=C(C(C)C(OC
    )C(\C=C\N(C)CO)C)CCC(C)C(OC)CC4OC(=O)CC(
    OC(O)N)CC(C)CC(O)C(C)C(OC)c1nc(oc1)c2nc(
    oc2)c3nc(oc3)C=CCC(OC)C4C; CO[CH]1CC=Cc2
    occ(n2)c3occ(n3)c4occ(n4)[CH](OC)[CH](C)
    [CH](O)C[CH](C)C[CH](CC(=O)O[CH](C[CH](O
    C)[CH](C)CCC(=O)[CH](C)[CH](OC)[CH](C)C=
    CN(C)CO)[CH]1C)O[CH](N)O; CO[C@H]1C/C=C/
    c2occ(n2)c3occ(n3)c4occ(n4)[C@H](OC)[C@@
    H](C)[C@@H](O)C[C@@H](C)C[C@@H](CC(=O)O[
    C@@H](C[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)
    [C@H](OC)[C@H](C)\C=C\N(C)CO)[C@@H]1C)O[
    C@H](N)O    		 KABIRAMIDE C
    25843 KAC
    CHEMBL122303
    ZINC000002008743    		 0 C11 H13 N O3 InChI=1S/C11H13NO3/c13-10
    (14)7-4-8-12-11(15)9-5-2-
    1-3-6-9/h1-3,5-6H,4,7-8H2
    ,(H,12,15)(H,13,14);
    BOZHPKGNNJPZKV-UHFFFAOYSA-N    		 O=C(NCCCC(=O)O)c1ccccc1; c1ccc(cc1)C(=O)
    NCCCC(=O)O; OC(=O)CCCNC(=O)c1ccccc1    		 4-(benzoylamino)butanoic acid
    25844 KAE 2 C25 H26 Cl2 N4 O3 InChI=1S/C25H26Cl2N4O3/c2
    6-21-6-5-17(13-22(21)27)3
    0-7-8-31(18(16-30)15-29-9
    -11-34-12-10-29)25(33)20-
    14-24(32)28-23-4-2-1-3-19
    (20)23/h1-6,13-14,18H,7-1
    2,15-16H2,(H,28,32)/t18-/
    m0/s1;
    LBLGMVCPRZTJIF-SFHVURJKSA-N    		 Clc1ccc(cc1Cl)N2CCN([CH](CN3CCOCC3)C2)C(
    =O)C4=CC(=O)Nc5ccccc45; c1ccc2c(c1)C(=CC
    (=O)N2)C(=O)N3CCN(CC3CN4CCOCC4)c5ccc(c(c
    5)Cl)Cl; c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3C
    CN(C[C@@H]3CN4CCOCC4)c5ccc(c(c5)Cl)Cl; C
    lc1ccc(cc1Cl)N2CCN([C@@H](CN3CCOCC3)C2)C
    (=O)C4=CC(=O)Nc5ccccc45    		 4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one
    25845 KAF
    ZINC000024965020    		 1 C28 H30 N2 O6 InChI=1S/C28H30N2O6/c31-2
    5(29-23(27(33)34)18-20-10
    -4-1-5-11-20)16-17-28(35,
    36)24(19-21-12-6-2-7-13-2
    1)30-26(32)22-14-8-3-9-15
    -22/h1-15,23-24,35-36H,16
    -19H2,(H,29,31)(H,30,32)(
    H,33,34)/t23-,24-/m0/s1;
    XSYPPQBCHNRTIT-ZEQRLZLVSA-N    		 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCC([C@H]
    (Cc2ccccc2)NC(=O)c3ccccc3)(O)O; OC(=O)[C
    H](Cc1ccccc1)NC(=O)CCC(O)(O)[CH](Cc2cccc
    c2)NC(=O)c3ccccc3; OC(=O)[C@H](Cc1ccccc1
    )NC(=O)CCC(O)(O)[C@H](Cc2ccccc2)NC(=O)c3
    ccccc3; O=C(O)C(NC(=O)CCC(O)(O)C(NC(=O)c
    1ccccc1)Cc2ccccc2)Cc3ccccc3; c1ccc(cc1)C
    C(C(=O)O)NC(=O)CCC(C(Cc2ccccc2)NC(=O)c3c
    cccc3)(O)O    		 N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-phenylalanine
    25846 KAG
    ZINC000058650174    		 0 C14 H20 N5 O8 P InChI=1S/C14H20N5O8P/c1-7
    (2-3-20)16-14-17-12-11(13
    (22)18-14)15-6-19(12)10-4
    -8(21)9(27-10)5-26-28(23,
    24)25/h3,6-10,21H,2,4-5H2
    ,1H3,(H2,23,24,25)(H2,16,
    17,18,22)/t7-,8-,9+,10+/m
    0/s1;
    LLZCTKFQBACUDS-AXTSPUMRSA-N    		 C[C@@H](CC=O)NC1=Nc2n(cnc2C(=O)N1)[C@H]3
    C[C@H](O)[C@@H](CO[P](O)(O)=O)O3; C[CH](
    CC=O)NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[
    CH](CO[P](O)(O)=O)O3; O=CCC(NC3=Nc1c(ncn
    1C2OC(C(O)C2)COP(=O)(O)O)C(=O)N3)C; CC(C
    C=O)NC1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O
    )C(=O)N1; C[C@@H](CC=O)NC1=Nc2c(ncn2[C@H
    ]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1    		 2'-DEOXY-N-[(1S)-1-METHYL-3-OXOPROPYL]GUANOSINE 5'-PHOSPHATE
    25847 KAH 1 C6 H13 N O3 InChI=1S/C6H13NO3/c1-4(7)
    5(8)2-3-6(9)10/h4-5,8H,2-
    3,7H2,1H3,(H,9,10)/t4-,5-
    /m1/s1;
    LUMVYMITQCJEGS-RFZPGFLSSA-N    		 CC(C(CCC(=O)O)O)N; C[C@@H](N)[C@H](O)CCC
    (O)=O; C[C@H]([C@@H](CCC(=O)O)O)N; O=C(O
    )CCC(O)C(N)C; C[CH](N)[CH](O)CCC(O)=O    		 5-AMINO-4-HYDROXYHEXANOIC ACID;
    4-KETO-5-AMINO-HEXANOIC ACID
    25848 KAI
    CHEMBL275040
    ZINC000003995575    		 71 C10 H15 N O4 InChI=1S/C10H15NO4/c1-5(2
    )7-4-11-9(10(14)15)6(7)3-
    8(12)13/h6-7,9,11H,1,3-4H
    2,2H3,(H,12,13)(H,14,15)/
    t6-,7+,9-/m0/s1;
    VLSMHEGGTFMBBZ-OOZYFLPDSA-N    		 CC(=C)C1CNC(C1CC(=O)O)C(=O)O; CC(=C)[CH]
    1CN[CH]([CH]1CC(O)=O)C(O)=O; O=C(O)C1NCC
    (\C(=C)C)C1CC(=O)O; CC(=C)[C@H]1CN[C@@H]
    ([C@H]1CC(=O)O)C(=O)O; CC(=C)[C@H]1CN[C@
    @H]([C@H]1CC(O)=O)C(O)=O    		 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE;
    KAINATE
    25849 KAK
    ZINC000013517233    		 0 C10 H14 N5 O7 P InChI=1S/C10H14N5O7P/c11-
    10-13-7-6(8(17)14-10)12-3
    -15(7)9-5(16)1-4(22-9)2-2
    1-23(18,19)20/h3-5,9,16H,
    1-2H2,(H2,18,19,20)(H3,11
    ,13,14,17)/t4-,5+,9+/m0/s
    1;
    FDFODSATEZEUMJ-OBXARNEKSA-N    		 NC1=NC(=O)c2ncn([C@@H]3O[C@H](CO[P](O)(O
    )=O)C[C@H]3O)c2N1; c1nc2c(n1C3C(CC(O3)CO
    P(=O)(O)O)O)NC(=NC2=O)N; NC1=NC(=O)c2ncn
    ([CH]3O[CH](CO[P](O)(O)=O)C[CH]3O)c2N1;
    c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(
    O)O)O)NC(=NC2=O)N    		 3'-deoxy-guanosine-5'-monophosphate
    25850 KAL 8 C30 H48 N2 O7 InChI=1S/C30H48N2O7/c1-20
    (14-22(3)15-23(4)17-28(35
    )36)12-10-8-7-9-11-13-21(
    2)16-26(33)18-27(34)19-32
    -29(37)24(5)25(6)39-30(31
    )38/h7-9,11,17,21-22,24-2
    5,27,34H,1,10,12-16,18-19
    H2,2-6H3,(H2,31,38)(H,32,
    37)(H,35,36)/b8-7-,11-9+,
    23-17+/t21-,22+,24+,25+,2
    7+/m0/s1;
    GENAAYFYLGYPIQ-DPTWSAQQSA-N    		 C[C@@H](C/C=C/C=C\CCC(=C)C[C@@H](C)C/C(=
    C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)
    [C@@H](C)OC(=O)N)O; C[CH](CC=CC=CCCC(=C)
    C[CH](C)CC(C)=CC(O)=O)CC(=O)C[CH](O)CNC(
    =O)[CH](C)[CH](C)OC(N)=O; CC(CC=CC=CCCC(
    =C)CC(C)CC(=CC(=O)O)C)CC(=O)CC(CNC(=O)C(
    C)C(C)OC(=O)N)O; C[C@@H](C\C=C\C=C/CCC(=
    C)C[C@@H](C)C\C(C)=C\C(O)=O)CC(=O)C[C@@H
    ](O)CNC(=O)[C@H](C)[C@@H](C)OC(N)=O    		 Kalimantacin;
    batumin
    25851 KAM
    DB03160
    ZINC000005930319    		 1 C17 H27 N2 O8 P InChI=1S/C17H27N2O8P/c1-1
    1(15(20)6-4-3-5-7-16(21)2
    2)19-9-14-13(10-27-28(24,
    25)26)8-18-12(2)17(14)23/
    h8,11,19,23H,3-7,9-10H2,1
    -2H3,(H,21,22)(H2,24,25,2
    6)/t11-/m0/s1;
    YXEXNGWPUWJMIT-NSHDSACASA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)CCCC
    CC(=O)O)O; O=C(O)CCCCCC(=O)C(NCc1c(cnc(c
    1O)C)COP(=O)(O)O)C; Cc1c(c(c(cn1)COP(=O)
    (O)O)CN[C@@H](C)C(=O)CCCCCC(=O)O)O; C[C@
    H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(=O)CC
    CCCC(O)=O; C[CH](NCc1c(O)c(C)ncc1CO[P](O
    )(O)=O)C(=O)CCCCCC(O)=O    		 N-[7-KETO-8-AMINOPELARGONIC ACID]-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE];
    N-PYRIDOXYL-7-KETO-8-AMINOPELARGONIC ACID-5'-MONOPHOSPHATE
    25852 KAN
    CHEMBL1384
    DB01172
    ZINC000008214590    		 86 C18 H36 N4 O11 InChI=1S/C18H36N4O11/c19-
    2-6-10(25)12(27)13(28)18(
    30-6)33-16-5(21)1-4(20)15
    (14(16)29)32-17-11(26)8(2
    2)9(24)7(3-23)31-17/h4-18
    ,23-29H,1-3,19-22H2/t4-,5
    +,6-,7-,8+,9-,10-,11-,12+
    ,13-,14-,15+,16-,17-,18-/
    m1/s1;
    SBUJHOSQTJFQJX-NOAMYHISSA-N    		 NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O
    [CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH]2
    O)[CH](O)[CH](O)[CH]1O; NC[C@H]1O[C@H](O
    [C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O
    [C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2
    O)[C@H](O)[C@@H](O)[C@@H]1O; O(C2C(O)C(O
    C1OC(CN)C(O)C(O)C1O)C(N)CC2N)C3OC(C(O)C(
    N)C3O)CO; C1[C@H]([C@@H]([C@H]([C@@H]([C
    @H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](
    O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H
    ]([C@H](O3)CO)O)N)O)N; C1C(C(C(C(C1N)OC2
    C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O
    )N)O)N    		 KANAMYCIN A
    25853 KAO
    CHEMBL2425156
    ZINC000095921129    		 2 C26 H27 N5 O InChI=1S/C26H27N5O/c1-18-
    7-13-22(14-8-18)31-24(16-
    23(30-31)26(2,3)4)29-25(3
    2)28-21-11-9-19(10-12-21)
    20-6-5-15-27-17-20/h5-17H
    ,1-4H3,(H2,28,29,32);
    JMQOIKOCLOMDPW-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3ccc(cc3)c4cc
    cnc4)C(C)(C)C; Cc1ccc(cc1)n2c(cc(n2)C(C)
    (C)C)NC(=O)Nc3ccc(cc3)c4cccnc4; O=C(Nc2c
    cc(c1cccnc1)cc2)Nc4cc(nn4c3ccc(cc3)C)C(C
    )(C)C    		 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(pyridin-3-yl)phenyl]urea
    25854 KAP
    DB02274
    ZINC000001532843    		 22 C9 H17 N O3 InChI=1S/C9H17NO3/c1-7(10
    )8(11)5-3-2-4-6-9(12)13/h
    7H,2-6,10H2,1H3,(H,12,13)
    /t7-/m0/s1;
    GUAHPAJOXVYFON-ZETCQYMHSA-N    		 O=C(CCCCCC(=O)O)C(N)C; C[C@@H](C(=O)CCCC
    CC(=O)O)N; CC(C(=O)CCCCCC(=O)O)N; C[CH](
    N)C(=O)CCCCCC(O)=O; C[C@H](N)C(=O)CCCCCC
    (O)=O    		 7-KETO-8-AMINOPELARGONIC ACID
    25855 KAQ 2 C22 H26 N4 O S InChI=1S/C22H26N4OS/c1-28
    -20-11-21(25-14-20)22(27)
    26-19(13-24)10-15-2-6-17(
    7-3-15)18-8-4-16(12-23)5-
    9-18/h2-9,19-21,25H,10-11
    ,13-14,24H2,1H3,(H,26,27)
    /t19-,20-,21-/m0/s1;
    BNJRFAPLBXBIIM-ACRUOGEOSA-N    		 CS[CH]1CN[CH](C1)C(=O)N[CH](CN)Cc2ccc(cc
    2)c3ccc(cc3)C#N; CSC1CC(NC1)C(=O)NC(Cc2c
    cc(cc2)c3ccc(cc3)C#N)CN; CS[C@H]1C[C@H](
    NC1)C(=O)N[C@@H](Cc2ccc(cc2)c3ccc(cc3)C#
    N)CN; CS[C@@H]1CN[C@@H](C1)C(=O)N[C@H](C
    N)Cc2ccc(cc2)c3ccc(cc3)C#N    		 (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide
    25856 KAR
    DB02868
    ZINC000098209070    		 1 C46 H56 Cl N5 O7 InChI=1S/C46H56ClN5O7/c1-
    6-42-14-10-17-51-19-15-44
    (37(42)51)31-21-32(35(57-
    4)22-34(31)49(3)38(44)46(
    26-42)39(53)52(20-16-47)4
    1(55)59-46)45(40(54)58-5)
    24-28-23-43(56,7-2)27-50(
    25-28)18-13-30-29-11-8-9-
    12-33(29)48-36(30)45/h8-1
    2,14,21-22,28,37-38,48,56
    H,6-7,13,15-20,23-27H2,1-
    5H3/t28-,37-,38+,42-,43-,
    44+,45-,46+/m0/s1;
    NUXKIZBEPYVRKP-RWBWKAGLSA-N    		 CC[C]1(O)C[CH]2CN(CCc3c([nH]c4ccccc34)[C
    ](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C]8
    (C[C]9(CC)C=CCN%10CC[C]67[CH]9%10)OC(=O)
    N(CCCl)C8=O)C1; CC[C@]1(O)C[C@@H]2CN(CCc
    3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6
    c(cc5OC)N(C)[C@H]7[C@@]8(C[C@]9(CC)C=CCN
    %10CC[C@]67[C@H]9%10)OC(=O)N(CCCl)C8=O)C
    1; O=C(OC)C4(c2c(c1ccccc1n2)CCN3CC(O)(CC
    )CC(C3)C4)c%10cc6c(N(C7C5(OC(=O)N(C5=O)C
    CCl)CC9(C=CCN8CCC67C89)CC)C)cc%10OC; CCC
    1(CC2CC(c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5c
    c6c(cc5OC)N(C7C68CCN9C8C(CC71C(=O)N(C(=O
    )O1)CCCl)(C=CC9)CC)C)C(=O)OC)O; CC[C@@]1
    (C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](
    C2)C1)(c5cc6c(cc5OC)[N@]([C@@H]7[C@]68CC
    [N@]9[C@H]8[C@](C[C@]71C(=O)N(C(=O)O1)CC
    Cl)(C=CC9)CC)C)C(=O)OC)O    		 3"-(BETA-CHLOROETHYL)-2",4"-DIOXO-3, 5"-SPIRO-OXAZOLIDINO-4-DEACETOXY-VINBLASTINE
    25857 KAS 4 C10 H11 B N3 O7 P InChI=1S/C10H11BN3O7P/c15
    -10(16)8-3-1-2-7(4-8)9-5-
    14(13-12-9)6-11(17)21-22(
    18,19)20/h1-5,17H,6H2,(H,
    15,16)(H2,18,19,20);
    HJSPORKXLABRNX-UHFFFAOYSA-N    		 OC(c1cccc(c1)c2cn(CB(OP(=O)(O)O)O)nn2)=O
    ; B(Cn1cc(nn1)c2cccc(c2)C(=O)O)(O)OP(=O)
    (O)O; OB(Cn1cc(nn1)c2cccc(c2)C(O)=O)O[P]
    (O)(O)=O    		 3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazol-4-yl)benzoic acid
    25858 KAT 1 C13 H15 N5 O InChI=1S/C13H15N5O/c19-13
    (18-7-6-14-15-18)17-10-8-
    16(9-11-17)12-4-2-1-3-5-1
    2/h1-7H,8-11H2;
    ILKSIXGCKDCMDG-UHFFFAOYSA-N    		 O=C(N1CCN(CC1)c2ccccc2)n3ccnn3; c1ccc(cc
    1)N2CCN(CC2)C(=O)n3ccnn3; C1N(CCN(C1)C(n
    2ccnn2)=O)c3ccccc3    		 (4-phenylpiperazin-1-yl)(1H-1,2,3-triazol-1-yl)methanone
    25859 KAU 4 C19 H19 Cl N6 O InChI=1S/C19H19ClN6O/c1-2
    5-12-16(13-4-7-21-8-5-13)
    18(24-25)19(27)23-15-6-9-
    26(11-15)17-3-2-14(20)10-
    22-17/h2-5,7-8,10,12,15H,
    6,9,11H2,1H3,(H,23,27)/t1
    5-/m1/s1;
    YRJORQQDPLPVBU-OAHLLOKOSA-N    		 Cn1cc(c(n1)C(=O)NC2CCN(C2)c3ccc(cn3)Cl)c
    4ccncc4; Cn1cc(c2ccncc2)c(n1)C(=O)N[CH]3
    CCN(C3)c4ccc(Cl)cn4; O=C(NC1CCN(C1)c1ccc
    (Cl)cn1)c1nn(C)cc1c1ccncc1; Cn1cc(c(n1)C
    (=O)N[C@@H]2CCN(C2)c3ccc(cn3)Cl)c4ccncc4
    ; Cn1cc(c2ccncc2)c(n1)C(=O)N[C@@H]3CCN(C
    3)c4ccc(Cl)cn4    		 N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
    25860 KAV 2 C23 H19 F3 N6 O2 InChI=1S/C23H19F3N6O2/c1-
    32-18-9-8-16(34-20-11-19(
    27-12-28-20)31-21(33)13-2
    -3-13)10-17(18)30-22(32)2
    9-15-6-4-14(5-7-15)23(24,
    25)26/h4-13H,2-3H2,1H3,(H
    ,29,30)(H,27,28,31,33);
    YGSUBARKRPZWKJ-UHFFFAOYSA-N    		 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc3cc(Oc4cc(NC(
    =O)C5CC5)ncn4)ccc13; Cn1c2ccc(cc2nc1Nc3c
    cc(cc3)C(F)(F)F)Oc4cc(ncn4)NC(=O)C5CC5;
    c1(ccc(cc1)C(F)(F)F)Nc5n(C)c4c(cc(Oc3cc(
    NC(C2CC2)=O)ncn3)cc4)n5    		 N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide
    25861 KAW
    ZINC000024965023    		 1 C30 H31 N3 O6 InChI=1S/C30H31N3O6/c34-2
    7(32-25(29(36)37)18-22-19
    -31-24-14-8-7-13-23(22)24
    )15-16-30(38,39)26(17-20-
    9-3-1-4-10-20)33-28(35)21
    -11-5-2-6-12-21/h1-14,19,
    25-26,31,38-39H,15-18H2,(
    H,32,34)(H,33,35)(H,36,37
    )/t25-,26-/m0/s1;
    YDVCMWDLPUDBQG-UIOOFZCWSA-N    		 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(
    O)(O)[C@H](Cc3ccccc3)NC(=O)c4ccccc4; O=C
    (c1ccccc1)NC(Cc2ccccc2)C(O)(O)CCC(=O)NC(
    C(=O)O)Cc4c3ccccc3nc4; c1ccc(cc1)C[C@@H]
    (C(CCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O
    )O)(O)O)NC(=O)c4ccccc4; OC(=O)[CH](Cc1c[
    nH]c2ccccc12)NC(=O)CCC(O)(O)[CH](Cc3cccc
    c3)NC(=O)c4ccccc4; c1ccc(cc1)CC(C(CCC(=O
    )NC(Cc2c[nH]c3c2cccc3)C(=O)O)(O)O)NC(=O)
    c4ccccc4    		 N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-tryptophan
    25862 KAX 1 C21 H25 F N10 O9 P2 InChI=1S/C21H25FN10O9P2/c
    22-14-10(31-7-29-15-18(23
    )25-5-27-20(15)31)1-9-3-3
    7-42(33,34)40-11-2-13(32-
    8-30-16-19(24)26-6-28-21(
    16)32)39-12(11)4-38-43(35
    ,36)41-17(9)14/h5-14,17H,
    1-4H2,(H,33,34)(H,35,36)(
    H2,23,25,27)(H2,24,26,28)
    /t9-,10-,11+,12-,13-,14+,
    17-/m1/s1;
    GDZZWFCZGHMWGL-DRCAKWDSSA-N    		 Nc1ncnc2n(cnc12)[C@H]3C[C@@H]4O[P](O)(=O
    )OC[C@H]5C[C@H]([C@H](F)[C@@H]5O[P](O)(=
    O)OC[C@H]4O3)n6cnc7c(N)ncnc67; c1nc(c2c(
    n1)n(cn2)C3CC4COP(=O)(OC5CC(OC5COP(=O)(O
    C4C3F)O)n6cnc7c6ncnc7N)O)N; c1nc(c2c(n1)
    n(cn2)[C@@H]3C[C@@H]4COP(=O)(O[C@H]5C[C@
    @H](O[C@@H]5COP(=O)(O[C@H]4[C@H]3F)O)n6c
    nc7c6ncnc7N)O)N; Nc1ncnc2n(cnc12)[CH]3C[
    CH]4O[P](O)(=O)OC[CH]5C[CH]([CH](F)[CH]5
    O[P](O)(=O)OC[CH]4O3)n6cnc7c(N)ncnc67    		 9-[(1~{R},6~{R},8~{R},10~{S},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine
    25863 KAY
    CHEMBL571530
    ZINC000000389681    		 2 C9 H8 O4 InChI=1S/C9H8O4/c1-5-2-3-
    6(8(10)11)7(4-5)9(12)13/h
    2-4H,1H3,(H,10,11)(H,12,1
    3);
    CWJJAFQCTXFSTA-UHFFFAOYSA-N    		 Cc1ccc(C(O)=O)c(c1)C(O)=O; C(c1cc(C)ccc1
    C(O)=O)(O)=O; Cc1ccc(c(c1)C(=O)O)C(=O)O    		 4-methylbenzene-1,2-dicarboxylic acid
    25864 KAZ
    CHEMBL4790324    		 1 C27 H29 N3 O3 InChI=1S/C27H29N3O3/c1-29
    -13-15-30(16-14-29)19-20-
    9-11-21(12-10-20)22-6-4-7
    -24(17-22)27(33)28-25-8-3
    -2-5-23(25)18-26(31)32/h2
    -12,17H,13-16,18-19H2,1H3
    ,(H,28,33)(H,31,32);
    UTWXDNZWMQAUKL-UHFFFAOYSA-N    		 CN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)C(=O)Nc4
    ccccc4CC(O)=O; CN1CCN(CC1)Cc2ccc(cc2)c3c
    ccc(c3)C(=O)Nc4ccccc4CC(=O)O    		 2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
    25865 KB0
    ZINC000165887396    		 1 C22 H18 O2 InChI=1S/C22H18O2/c1-14-1
    1-18(24)12-21-19(14)13-20
    (15-7-9-17(23)10-8-15)22(
    21)16-5-3-2-4-6-16/h2-12,
    23-24H,13H2,1H3;
    KXVQYSIZQKFFIZ-UHFFFAOYSA-N    		 Cc1cc(cc2c1CC(=C2c3ccccc3)c4ccc(cc4)O)O;
    Cc1cc(O)cc2c1CC(=C2c3ccccc3)c4ccc(O)cc4
    ; c3(c2CC(c1ccc(cc1)O)=C(c2cc(c3)O)c4ccc
    cc4)C    		 2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1H-inden-5-ol;
    KB095285
    25866 KB1
    CHEMBL4518968    		 2 C21 H26 F N7 O5 InChI=1S/C21H26FN7O5/c22-
    12-3-1-11(2-4-12)7-28(6-5
    -13(23)21(32)33)8-14-16(3
    0)17(31)20(34-14)29-10-27
    -15-18(24)25-9-26-19(15)2
    9/h1-4,9-10,13-14,16-17,2
    0,30-31H,5-8,23H2,(H,32,3
    3)(H2,24,25,26)/t13-,14+,
    16+,17+,20+/m0/s1;
    UBYUMSGWGXUICY-SWQDORGXSA-N    		 N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cn
    c3c(N)ncnc23)Cc4ccc(F)cc4)C(O)=O; N[C@@H
    ](CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c
    nc3c(N)ncnc23)Cc4ccc(F)cc4)C(O)=O; Nc1nc
    nc2n(cnc12)C3OC(C(C3O)O)CN(Cc4ccc(cc4)F)
    CCC(N)C(O)=O; c1cc(ccc1CN(CCC(C(=O)O)N)C
    C2C(C(C(O2)n3cnc4c3ncnc4N)O)O)F; c1cc(cc
    c1CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@
    H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)F    		 5'-{[(3S)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine
    25867 KB2
    ZINC000044681651    		 1 C24 H33 N5 O InChI=1S/C24H33N5O/c1-6-7
    -10-22(18(4)30)29-16-23(2
    7-28-29)24(5,17(2)3)26-15
    -19-11-12-21-20(14-19)9-8
    -13-25-21/h8-9,11-14,16-1
    7,22,26H,6-7,10,15H2,1-5H
    3/t22-,24-/m0/s1;
    XHOTUPQHXLRCJV-UPVQGACJSA-N    		 CCCC[C@@H](C(=O)C)n1cc(nn1)[C@](C)(C(C)C
    )NCc2ccc3c(c2)cccn3; CCCCC(C(=O)C)n1cc(n
    n1)C(C)(C(C)C)NCc2ccc3c(c2)cccn3; CCCC[C
    @H](n1cc(nn1)[C@@](C)(NCc2ccc3ncccc3c2)C
    (C)C)C(C)=O; CCCC[CH](n1cc(nn1)[C](C)(NC
    c2ccc3ncccc3c2)C(C)C)C(C)=O; O=C(C(n1nnc
    (c1)C(NCc3cc2cccnc2cc3)(C)C(C)C)CCCC)C    		 (3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one
    25868 KB3 1 C9 H9 N3 O2 InChI=1S/C9H9N3O2/c1-13-7
    -5-3-2-4-6(7)8-11-12-9(10
    )14-8/h2-5H,1H3,(H2,10,12
    );
    HTILGWBWTPTFES-UHFFFAOYSA-N    		 COc1ccccc1c2nnc(o2)N; COc1ccccc1c2oc(N)n
    n2; Nc1nnc(o1)c1ccccc1OC    		 (5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
    25869 KB4
    CHEMBL4520878    		 2 C16 H12 Cl N5 O2 InChI=1S/C16H12ClN5O2/c1-
    24-9-4-5-12-11(7-9)19-13(
    23)8-22(12)15-14-10(3-2-6
    -18-14)20-16(17)21-15/h2-
    7H,8H2,1H3,(H,19,23);
    LHARPASIDWIFEJ-UHFFFAOYSA-N    		 COc1ccc2c(c1)NC(=O)CN2c3c4c(cccn4)nc(n3)
    Cl; n4c1cccnc1c(N2c3c(NC(=O)C2)cc(OC)cc3
    )nc4Cl; COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc
    4cccnc34    		 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
    25870 KB5
    CHEMBL1720102
    ZINC000018125321    		 1 C5 H5 N5 S InChI=1S/C5H5N5S/c6-3-2-4
    (8-1-7-3)10-5(11)9-2/h1H,
    (H4,6,7,8,9,10,11);
    BHVOFCPOXNYVCE-UHFFFAOYSA-N    		 c1nc(c2c(n1)[nH]c(n2)S)N; Nc1ncnc2[nH]c(
    S)nc12    		 6-azanyl-9~{H}-purine-8-thiol
    25871 KB6 4 C21 H17 F N2 O2 InChI=1S/C21H17FN2O2/c1-1
    4-19(24-21(26-14)15-6-8-1
    8(22)9-7-15)10-11-25-20-1
    2-16-4-2-3-5-17(16)13-23-
    20/h2-9,12-13H,10-11H2,1H
    3;
    FMBOBXXAORGVDA-UHFFFAOYSA-N    		 Cc1c(nc(o1)c2ccc(cc2)F)CCOc3cc4ccccc4cn3
    ; Fc1ccc(cc1)c1nc(CCOc2cc3ccccc3cn2)c(C)
    o1; Cc1oc(nc1CCOc2cc3ccccc3cn2)c4ccc(F)c
    c4    		 3-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline
    25872 KB7 1 C13 H18 N6 O6 InChI=1S/C13H18N6O6/c1-2-
    15-13(23)24-3-5-7(20)8(21
    )11(25-5)19-4-16-6-9(19)1
    7-12(14)18-10(6)22/h4-5,7
    -8,11,20-21H,2-3H2,1H3,(H
    ,15,23)(H3,14,17,18,22)/t
    5-,7-,8-,11-/m1/s1;
    UQGAPQHFXCJSGR-IOSLPCCCSA-N    		 CCNC(=O)OCC1C(C(C(O1)n2cnc3c2N=C(NC3=O)N
    )O)O; CCNC(=O)OC[C@@H]1[C@H]([C@H]([C@@H
    ](O1)n2cnc3c2N=C(NC3=O)N)O)O; CCNC(=O)OC
    [C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O
    )NC(=Nc23)N; N1C(c3c(N=C1N)n(C2C(C(C(COC
    (=O)NCC)O2)O)O)cn3)=O; CCNC(=O)OC[CH]1O[
    CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=Nc23)N    		 5'-O-(ethylcarbamoyl)guanosine
    25873 KB8
    CHEMBL2441619
    ZINC000000170719    		 3 C15 H16 F3 N3 InChI=1S/C15H16F3N3/c1-10
    -2-3-12-11(8-10)13(21-6-4
    -19-5-7-21)9-14(20-12)15(
    16,17)18/h2-3,8-9,19H,4-7
    H2,1H3;
    ZKHOZLXKYFBVMY-UHFFFAOYSA-N    		 Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNCC3; F
    C(F)(F)c1nc3c(c(c1)N2CCNCC2)cc(cc3)C; Cc
    1ccc2nc(cc(N3CCNCC3)c2c1)C(F)(F)F    		 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline
    25874 KB9 5 C24 H29 N3 O InChI=1S/C24H29N3O/c1-2-3
    -24(28)23-17-21-16-20(19-
    8-13-26-14-9-19)4-5-22(21
    )27(23)15-10-18-6-11-25-1
    2-7-18/h4-5,8-9,13-14,16-
    18,25H,2-3,6-7,10-12,15H2
    ,1H3;
    IYABFOYSNZVVSL-UHFFFAOYSA-N    		 CCCC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc
    4    		 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one
    25875 KBA 2 C10 H17 N3 O5 InChI=1S/C10H17N3O5/c1-6-
    7(14)8(15)9(16)10(18-6)17
    -5-4-13-3-2-11-12-13/h2-3
    ,6-10,14-16H,4-5H2,1H3/t6
    -,7+,8+,9-,10+/m0/s1;
    AQLGVIQGWAYMPY-LOLPMWEVSA-N    		 C[C@@H]1O[C@@H](OCCn2ccnn2)[C@@H](O)[C@H
    ](O)[C@@H]1O; C[C@H]1[C@H]([C@H]([C@@H](
    [C@@H](O1)OCCn2ccnn2)O)O)O; CC1C(C(C(C(O
    1)OCCn2ccnn2)O)O)O; C[CH]1O[CH](OCCn2ccn
    n2)[CH](O)[CH](O)[CH]1O    		 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside;
    (2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-[2-(1,2,3-triazol-1-yl)ethoxy]oxane-3,4,5-triol;
    2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactoside;
    2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-L-galactoside;
    2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-galactoside
    25876 KBB
    ZINC000002569635    		 2 C6 H5 F2 N O2 S InChI=1S/C6H5F2NO2S/c7-4-
    1-2-5(8)6(3-4)12(9,10)11/
    h1-3H,(H2,9,10,11);
    OLMFEUWXDKZGOO-UHFFFAOYSA-N    		 c1cc(c(cc1F)S(=O)(=O)N)F; N[S](=O)(=O)c1
    cc(F)ccc1F    		 2,5-bis(fluoranyl)benzenesulfonamide
    25877 KBD
    CHEMBL4572000    		 1 C18 H20 N6 O6 InChI=1S/C18H20N6O6/c19-1
    7-22-14-11(15(27)23-17)21
    -8-24(14)16-13(26)12(25)1
    0(30-16)7-29-18(28)20-6-9
    -4-2-1-3-5-9/h1-5,8,10,12
    -13,16,25-26H,6-7H2,(H,20
    ,28)(H3,19,22,23,27)/t10-
    ,12-,13-,16-/m1/s1;
    LCCRNJDOCQAPJZ-XNIJJKJLSA-N    		 c1ccc(cc1)CNC(=O)OC[C@@H]2[C@H]([C@H]([C
    @@H](O2)n3cnc4c3N=C(NC4=O)N)O)O; NC1=Nc2
    n(cnc2C(=O)N1)[CH]3O[CH](COC(=O)NCc4cccc
    c4)[CH](O)[CH]3O; c1ccc(cc1)CNC(=O)OCC2C
    (C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O; NC1=Nc2
    n(cnc2C(=O)N1)[C@@H]3O[C@H](COC(=O)NCc4c
    cccc4)[C@@H](O)[C@H]3O; N1C(c2c(N=C1N)n(
    cn2)C4C(C(C(COC(NCc3ccccc3)=O)O4)O)O)=O    		 5'-O-(benzylcarbamoyl)guanosine
    25878 KBE
    ZINC000001532872    		 0 C6 H14 N2 O2 InChI=1S/C6H14N2O2/c7-3-1
    -2-5(8)4-6(9)10/h5H,1-4,7
    -8H2,(H,9,10)/t5-/m0/s1;
    QKEWQOJCHPFEAF-YFKPBYRVSA-N    		 C(C[C@@H](CC(=O)O)N)CN; NCCC[CH](N)CC(O)
    =O; C(CC(CC(=O)O)N)CN; NCCC[C@H](N)CC(O)
    =O    		 beta-lysine;
    (3S)-3,6-diaminohexanoic acid
    25879 KBF
    ZINC000013007213    		 1 C16 H17 N O3 InChI=1S/C16H17NO3/c18-15
    -9-12-5-2-1-4-11(12)8-14(
    15)16(19)17-10-13-6-3-7-2
    0-13/h1-2,4-5,8-9,13,18H,
    3,6-7,10H2,(H,17,19)/t13-
    /m1/s1;
    DBYOJRHWEJEBCL-CYBMUJFWSA-N    		 c1ccc2cc(c(cc2c1)C(=O)NC[C@H]3CCCO3)O; c
    1ccc2cc(c(cc2c1)C(=O)NCC3CCCO3)O; Oc1cc2
    ccccc2cc1C(=O)NC[CH]3CCCO3; Oc1cc2ccccc2
    cc1C(=O)NC[C@H]3CCCO3    		 3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide;
    3-hydroxy-N-(tetrahydrofuran-2-ylmethyl)naphthalene-2-carboxamide
    25880 KBG 1 C6 H10 O6 InChI=1S/C6H10O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    4,6-9,11H,1H2/t2-,3-,4+,6
    -/m1/s1;
    FYWIDDXZIOQEQU-KAQMDTKVSA-N    		 C([C@@H]1[C@H]([C@@H](C(=O)[C@@H](O1)O)O
    )O)O; OC[C@H]1O[C@@H](O)C(=O)[C@@H](O)[C
    @@H]1O; C(C1C(C(C(=O)C(O1)O)O)O)O; OC[CH
    ]1O[CH](O)C(=O)[CH](O)[CH]1O; O=C1C(O)OC
    (CO)C(O)C1O    		 beta-D-arabino-hexopyranos-2-ulose;
    2-KETO-BETA-D-GLUCOSE;
    beta-D-arabino-hexos-2-ulose;
    D-arabino-hexos-2-ulose;
    arabino-hexos-2-ulose
    25881 KBH
    CHEMBL4524407    		 3 C13 H8 F2 O4 S InChI=1S/C13H8F2O4S/c14-1
    0-4-1-8(2-5-10)11-6-3-9(1
    3(16)17)7-12(11)20(15,18)
    19/h1-7H,(H,16,17);
    HNGNJNXHCQAHBJ-UHFFFAOYSA-N    		 c1cc(ccc1c2ccc(cc2S(=O)(=O)F)C(=O)O)F; O
    C(=O)c1ccc(c2ccc(F)cc2)c(c1)[S](F)(=O)=O    		 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid
    25882 KBI
    CHEMBL1950289
    DB11798
    ZINC000102930548    		 1 C21 H23 F3 N6 O2 InChI=1S/C21H23F3N6O2/c22
    -11-7-15(23)18(16(24)8-11
    )28-21-27-17-9-25-20(26-1
    2-1-3-14(31)4-2-12)29-19(
    17)30(21)13-5-6-32-10-13/
    h7-9,12-14,31H,1-6,10H2,(
    H,27,28)(H,25,26,29)/t12-
    ,13-,14-/m0/s1;
    IBGLGMOPHJQDJB-IHRRRGAJSA-N    		 O[C@@H]1CC[C@H](CC1)Nc2ncc3nc(Nc4c(F)cc(
    F)cc4F)n([C@H]5CCOC5)c3n2; Fc1cc(F)cc(F)
    c1Nc3nc2cnc(nc2n3C4CCOC4)NC5CCC(O)CC5; c
    1c(cc(c(c1F)Nc2nc3cnc(nc3n2C4CCOC4)NC5CC
    C(CC5)O)F)F; c1c(cc(c(c1F)Nc2nc3cnc(nc3n
    2[C@H]4CCOC4)NC5CCC(CC5)O)F)F; O[CH]1CC[
    CH](CC1)Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([CH
    ]5CCOC5)c3n2    		 trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol
    25883 KBJ 1 C19 H22 N6 O6 InChI=1S/C19H22N6O6/c20-1
    8-23-15-12(16(28)24-18)22
    -9-25(15)17-14(27)13(26)1
    1(31-17)8-30-19(29)21-7-6
    -10-4-2-1-3-5-10/h1-5,9,1
    1,13-14,17,26-27H,6-8H2,(
    H,21,29)(H3,20,23,24,28)/
    t11-,13-,14-,17-/m1/s1;
    QOLMNPPGFSBCCF-LSCFUAHRSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](COC(=O)N
    CCc4ccccc4)[CH](O)[CH]3O; c1ccc(cc1)CCNC
    (=O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O
    ; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](COC
    (=O)NCCc4ccccc4)[C@@H](O)[C@H]3O; C(NCCc
    1ccccc1)(OCC4OC(n2c3c(nc2)C(NC(=N3)N)=O)
    C(C4O)O)=O; c1ccc(cc1)CCNC(=O)OC[C@@H]2[
    C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N
    )O)O    		 5'-O-[(2-phenylethyl)carbamoyl]guanosine
    25884 KBK
    ZINC000219081606    		 1 C11 H16 N O7 P InChI=1S/C11H16NO7P/c1-12
    (14)10(13)7-19-11(20(15,1
    6)17)8-3-5-9(18-2)6-4-8/h
    3-6,11,14H,7H2,1-2H3,(H2,
    15,16,17)/t11-/m1/s1;
    LUULKKFHGAQKEF-LLVKDONJSA-N    		 COc1ccc(cc1)[CH](OCC(=O)N(C)O)[P](O)(O)=
    O; O=P(O)(O)C(OCC(=O)N(O)C)c1ccc(OC)cc1;
    CN(C(=O)COC(c1ccc(cc1)OC)P(=O)(O)O)O; C
    Oc1ccc(cc1)[C@H](OCC(=O)N(C)O)[P](O)(O)=
    O; CN(C(=O)CO[C@@H](c1ccc(cc1)OC)P(=O)(O
    )O)O    		 [(R)-{2-[hydroxy(methyl)amino]-2-oxoethoxy}(4-methoxyphenyl)methyl]phosphonic acid
    25885 KBL 4 C21 H15 F3 N4 O2 InChI=1S/C21H15F3N4O2/c1-
    14-12-19(29)20(18-10-11-2
    5-28(18)15-6-3-2-4-7-15)2
    6-27(14)16-8-5-9-17(13-16
    )30-21(22,23)24/h2-13H,1H
    3;
    BZEDFJXVWYZBIJ-UHFFFAOYSA-N    		 CC1=CC(=O)C(=NN1c2cccc(OC(F)(F)F)c2)c3cc
    nn3c4ccccc4; CC1=CC(=O)C(=NN1c2cccc(c2)O
    C(F)(F)F)c3ccnn3c4ccccc4; FC(F)(F)Oc1cc(
    ccc1)N1N=C(C(=O)C=C1C)c1ccnn1c1ccccc1    		 6-methyl-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
    25886 KBM
    ZINC000000150564    		 1 C16 H11 Cl O3 InChI=1S/C16H11ClO3/c1-19
    -13-6-7-14-11(8-13)9-15(2
    0-14)16(18)10-2-4-12(17)5
    -3-10/h2-9H,1H3;
    SVQLTYVFAXKBMP-UHFFFAOYSA-N    		 COc1ccc2c(c1)cc(o2)C(=O)c3ccc(cc3)Cl; CO
    c1ccc2oc(cc2c1)C(=O)c3ccc(Cl)cc3    		 (4-chlorophenyl)(5-methoxy-1-benzofuran-2-yl)methanone
    25887 KBN
    ZINC000013212673    		 1 C6 H3 F3 N4 S InChI=1S/C6H3F3N4S/c7-6(8
    ,9)5-12-3-2(4(14)13-5)10-
    1-11-3/h1H,(H2,10,11,12,1
    3,14);
    NVRHELPZQYUXMX-UHFFFAOYSA-N    		 c1[nH]c2c(n1)c(nc(n2)C(F)(F)F)S; FC(F)(F
    )c1nc(S)c2nc[nH]c2n1    		 2-(trifluoromethyl)-9~{H}-purine-6-thiol
    25888 KBO 4 C28 H34 N4 O2 InChI=1S/C28H34N4O2/c1-3-
    28(4-2,21-33)27(34)30-25-
    12-5-8-22(18-25)19-31-14-
    16-32(17-15-31)20-24-10-6
    -9-23-11-7-13-29-26(23)24
    /h5-13,18,21H,3-4,14-17,1
    9-20H2,1-2H3,(H,30,34);
    HUVCJXYEGHNBRX-UHFFFAOYSA-N    		 CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)C
    c3cccc4c3nccc4; CCC(CC)(C=O)C(=O)Nc1cccc
    (CN2CCN(CC2)Cc3cccc4cccnc34)c1    		 2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
    25889 KBP 9 C14 H27 N O3 S InChI=1S/C14H27NO3S/c1-3-
    4-5-6-7-8-13(17)11-14(18)
    19-10-9-15-12(2)16/h13,17
    H,3-11H2,1-2H3,(H,15,16)/
    t13-/m1/s1;
    AKKZYNFGIOAWKB-CYBMUJFWSA-N    		 CCCCCCCC(CC(=O)SCCNC(=O)C)O; CCCCCCC[C@H
    ](CC(=O)SCCNC(=O)C)O; CCCCCCC[C@@H](O)CC
    (=O)SCCNC(C)=O; O=C(SCCNC(=O)C)CC(O)CCCC
    CCC; CCCCCCC[CH](O)CC(=O)SCCNC(C)=O    		 S-[2-(acetylamino)ethyl] (3R)-3-hydroxydecanethioate;
    3-hydroxydecanoyl-N-acetylcysteamine
    25890 KBQ
    CHEMBL471165
    ZINC000089221605    		 0 C6 H5 N3 O S InChI=1S/C6H5N3OS/c10-5-3
    -1-2-7-4(3)8-6(11)9-5/h1-
    2H,(H3,7,8,9,10,11);
    QCZHCRBHXAFBDJ-UHFFFAOYSA-N    		 c1c[nH]c2c1C(=O)NC(=S)N2; O=C1NC(=S)Nc2[
    nH]ccc12    		 2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
    25891 KBR
    ZINC000005922359    		 4 C12 H23 N O3 InChI=1S/C12H23NO3/c1-3-1
    0(2)16-12(15)13-8-5-4-6-1
    1(13)7-9-14/h10-11,14H,3-
    9H2,1-2H3/t10-,11+/m1/s1;
    QLHULAHOXSSASE-MNOVXSKESA-N    		 CCC(C)OC(=O)N1CCCCC1CCO; CC[C@@H](C)OC(=
    O)N1CCCC[C@H]1CCO; CC[CH](C)OC(=O)N1CCCC
    [CH]1CCO    		 Icaridin;
    Picaridin;
    Bayrepel;
    KBR 3023
    25892 KBS 0 C18 H21 N O5 S2 InChI=1S/C18H21NO5S2/c1-1
    2(2)19(3)26(22,23)15-9-10
    -17(16(11-15)18(20)21)25-
    14-7-5-13(24-4)6-8-14/h5-
    12H,1-4H3,(H,20,21);
    RKJXIRNKSLSTPR-UHFFFAOYSA-N    		 c1c(ccc(c1C(=O)O)Sc2ccc(OC)cc2)S(N(C)C(C
    )C)(=O)=O; COc1ccc(Sc2ccc(cc2C(O)=O)[S](
    =O)(=O)N(C)C(C)C)cc1; CC(C)N(C)S(=O)(=O)
    c1ccc(c(c1)C(=O)O)Sc2ccc(cc2)OC    		 2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid
    25893 KBT
    CHEMBL1081840
    ZINC000049036309    		 1 C20 H23 N3 O3 InChI=1S/C20H23N3O3/c1-5-
    6-7-23-17(16(12(2)3)19(25
    )22-20(23)26)18(24)15-9-1
    3(4)8-14(10-15)11-21/h8-1
    0,12H,5-7H2,1-4H3,(H,22,2
    5,26);
    PPJRWFFVCKGABJ-UHFFFAOYSA-N    		 CCCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)
    C#N)C(C)C; CCCCN1C(=C(C(=O)NC1=O)C(C)C)C
    (=O)c2cc(cc(c2)C#N)C    		 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
    25894 KBU 7 C7 H5 Cl N2 InChI=1S/C7H5ClN2/c8-5-2-
    1-3-6-7(5)10-4-9-6/h1-4H,
    (H,9,10);
    RPYPMOKNVPZWKZ-UHFFFAOYSA-N    		 c1cc2c(c(c1)Cl)nc[nH]2; Clc1cccc2[NH]cnc
    21; Clc1cccc2[nH]cnc12    		 4-chloro-1H-benzimidazole
    25895 KBV
    ZINC000002504870    		 0 C14 H21 N O2 InChI=1S/C14H21NO2/c1-14(
    2,3)11-6-4-10(5-7-11)8-12
    (15)9-13(16)17/h4-7,12H,8
    -9,15H2,1-3H3,(H,16,17)/t
    12-/m1/s1;
    KDMFJTJDCJZSGE-GFCCVEGCSA-N    		 NC(Cc1ccc(C(C)(C)C)cc1)CC(=O)O; CC(C)(C)
    c1ccc(C[CH](N)CC(O)=O)cc1; CC(C)(C)c1ccc
    (C[C@@H](N)CC(O)=O)cc1; CC(C)(C)c1ccc(cc
    1)CC(CC(=O)O)N; CC(C)(C)c1ccc(cc1)C[C@H]
    (CC(=O)O)N    		 (3R)-3-amino-4-(4-tert-butylphenyl)butanoic acid
    25896 KBW 3 C12 O16 Re4 InChI=1S/12CHO.4O.4Re/c12
    *1-2;;;;;;;;/h12*1H;;;;;;
    ;;;
    QHWAFOGPSYFELS-UHFFFAOYSA-N    		 [C](=O)[Re]12(O3[Re]4(O1[Re]5(O2[Re]3(O4
    5)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=
    O)([C]=O)([C]=O)[C]=O)([C]=O)[C]=O; [Re]
    O[Re]1O[Re]O[Re]O1.C=O.C=O.C=O.C=O.C=O.C
    =O.C=O.C=O.C=O.C=O.C=O.C=O    		 Re4(mu3-OH)4(CO)12
    25897 KBY 1 C34 H43 N3 O7 S2 InChI=1S/C34H43N3O7S2/c1-
    22(2)37(6)46(42,43)28-16-
    17-30(45-27-14-12-26(44-7
    )13-15-27)29(20-28)33(41)
    36-25(19-31(38)35-21-32(3
    9)40)18-23-8-10-24(11-9-2
    3)34(3,4)5/h8-17,20,22,25
    H,18-19,21H2,1-7H3,(H,35,
    38)(H,36,41)(H,39,40)/t25
    -/m1/s1;
    POBZRCRFILRWTQ-RUZDIDTESA-N    		 CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)NC(Cc2
    ccc(cc2)C(C)(C)C)CC(=O)NCC(=O)O)Sc3ccc(c
    c3)OC; COc1ccc(Sc2ccc(cc2C(=O)N[CH](CC(=
    O)NCC(O)=O)Cc3ccc(cc3)C(C)(C)C)[S](=O)(=
    O)N(C)C(C)C)cc1; COc1ccc(Sc2ccc(cc2C(=O)
    N[C@@H](CC(=O)NCC(O)=O)Cc3ccc(cc3)C(C)(C
    )C)[S](=O)(=O)N(C)C(C)C)cc1; CC(C)N(C)S(
    =O)(=O)c1ccc(c(c1)C(=O)N[C@H](Cc2ccc(cc2
    )C(C)(C)C)CC(=O)NCC(=O)O)Sc3ccc(cc3)OC;
    c1c(ccc(c1C(=O)NC(Cc2ccc(C(C)(C)C)cc2)CC
    (=O)NCC(=O)O)Sc3ccc(OC)cc3)S(N(C)C(C)C)(
    =O)=O    		 N-[(3R)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine
    25898 KBZ
    CHEMBL178209
    ZINC000000039566    		 2 C7 H6 N2 O2 S InChI=1S/C7H6N2O2S/c8-5-6
    -1-3-7(4-2-6)12(9,10)11/h
    1-4H,(H2,9,10,11);
    UZECCNDOASGYNH-UHFFFAOYSA-N    		 c1cc(ccc1C#N)S(=O)(=O)N; N[S](=O)(=O)c1c
    cc(cc1)C#N    		 4-cyanobenzenesulfonamide
    25899 KC0
    CHEMBL5184713
    ZINC000026894206    		 1 C10 H7 Br N2 InChI=1S/C10H7BrN2/c11-8-
    1-2-10-9(5-8)7(3-4-12)6-1
    3-10/h1-2,5-6,13H,3H2;
    QPEAZVAMEMXQHF-UHFFFAOYSA-N    		 c1cc2c(cc1Br)c(c[nH]2)CC#N; Brc1ccc2[nH]
    cc(CC#N)c2c1    		 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile
    25900 KC1 390 C35 H30 Mg N4 O5 InChI=1S/C35H32N4O5.Mg/c1
    -8-19-15(3)22-12-24-17(5)
    21(10-11-28(40)41)32(38-2
    4)30-31(35(43)44-7)34(42)
    29-18(6)25(39-33(29)30)14
    -27-20(9-2)16(4)23(37-27)
    13-26(19)36-22;/h8,10-14,
    31H,1,9H2,2-7H3,(H3,36,37
    ,38,39,40,41,42);/q;+2/p-
    2/b11-10+,22-12-,23-13-,2
    4-12-,25-14-,26-13-,27-14
    -,32-30-;/t31-;/m1./s1;
    DGNIJJSSARBJSH-QIEHNWLWSA-L    		 N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C
    (C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)\C=C\C(
    =O)O)=O)[Mg]6)N=7)CC)C)\C=C)C; CCC\1=C(C
    )C/2=NC\1=C\c3n4[Mg][N@]/5\C(=C/C6=NC(=C
    \7[C@@H](C(=O)OC)C(=O)c(c3C)c4\7)/C(=C6C
    )/C=C/C(O)=O)C(=C(C=C)C/5=C/2)C; CCC\1=C
    (c2/cc\3/c(c(c4/n3[Mg]n5c(/cc1\n2)c(c6c5
    /c(c/7\nc(\c4)C(=C7/C=C/C(=O)O)C)/[C@H](
    C6=O)C(=O)OC)C)C)C=C)C; CCC1=C(C)C2=NC1=
    Cc3n4[Mg][N]5C(=CC6=NC(=C7[CH](C(=O)OC)C
    (=O)c(c3C)c47)C(=C6C)C=CC(O)=O)C(=C(C=C)
    C5=C2)C; CCC1=C(c2cc3c(c(c4n3[Mg]n5c(cc1
    n2)c(c6c5c(c7nc(c4)C(=C7C=CC(=O)O)C)C(C6
    =O)C(=O)OC)C)C)C=C)C    		 Chlorophyll c1
    25901 KC2 267 C35 H28 Mg N4 O5 InChI=1S/C35H30N4O5.Mg/c1
    -8-19-15(3)22-12-24-17(5)
    21(10-11-28(40)41)32(38-2
    4)30-31(35(43)44-7)34(42)
    29-18(6)25(39-33(29)30)14
    -27-20(9-2)16(4)23(37-27)
    13-26(19)36-22;/h8-14,31H
    ,1-2H2,3-7H3,(H3,36,37,38
    ,39,40,41,42);/q;+2/p-2/b
    11-10+,22-12-,23-13-,24-1
    2-,25-14-,26-13-,27-14-,3
    2-30-;/t31-;/m1./s1;
    QDRBYWCRXZZVLY-QIEHNWLWSA-L    		 Cc1c2cc3nc(c4c5c(c(c6n5[Mg]n2c(c1C=C)cc7
    nc(c6)C(=C7C)C=C)C)C(=O)C4C(=O)OC)C(=C3C
    )C=CC(=O)O; COC(=O)[C@H]1C(=O)c2c(C)c3/C
    =C/4N=C(/C=C5\[N@]\6[Mg]n3c2/C1=C/7N=C(\
    C=C\6C(=C5C=C)C)C(=C/7/C=C/C(O)=O)C)C(=C
    /4C=C)C; Cc1/c/2c/c3n/c(c/4\c5c(c(c/6n5[
    Mg]n2/c(/c1C=C)c\c7n/c(c6)/C(=C7C)C=C)C)
    C(=O)[C@@H]4C(=O)OC)/C(=C3C)/C=C/C(=O)O;
    COC(=O)[CH]1C(=O)c2c(C)c3C=C4N=C(C=C5[N
    ]6[Mg]n3c2C1=C7N=C(C=C6C(=C5C=C)C)C(=C7C
    =CC(O)=O)C)C(=C4C=C)C; N16C=3C(=C(C1=CC=
    7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C
    (=C(C(C=3)=N4)C)\C=C\C(=O)O)=O)[Mg]6)N=7
    )\C=C)C)\C=C)C    		 Chlorophyll c2
    25902 KC3
    ZINC000000492948    		 1 C12 H17 N5 InChI=1S/C12H17N5/c1-9-5-
    7-16(8-6-9)12-4-3-11-14-1
    3-10(2)17(11)15-12/h3-4,9
    H,5-8H2,1-2H3;
    NODJHUWKRQTQFX-UHFFFAOYSA-N    		 CC1CCN(CC1)c2ccc3nnc(C)n3n2; Cc1nnc2n1nc
    (cc2)N3CCC(CC3)C    		 3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
    25903 KC4
    CHEMBL2397138    		 1 C22 H24 F3 N3 O4 InChI=1S/C22H24F3N3O4/c1-
    26-20(29)14-2-8-17(9-3-14
    )31-18-10-4-15(5-11-18)27
    -21(30)28-16-6-12-19(13-7
    -16)32-22(23,24)25/h2-3,6
    -9,12-13,15,18H,4-5,10-11
    H2,1H3,(H,26,29)(H2,27,28
    ,30)/t15-,18-;
    JNPWHXLRBKEIPP-RZDIXWSQSA-N    		 CNC(=O)c1ccc(cc1)OC2CCC(CC2)NC(=O)Nc3ccc
    (cc3)OC(F)(F)F; CNC(=O)c1ccc(O[CH]2CC[CH
    ](CC2)NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc1; CN
    C(=O)c1ccc(O[C@@H]2CC[C@H](CC2)NC(=O)Nc3
    ccc(OC(F)(F)F)cc3)cc1; C2(CCC(NC(=O)Nc1c
    cc(cc1)OC(F)(F)F)CC2)Oc3ccc(C(NC)=O)cc3    		 N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide
    25904 KC5
    CHEMBL1970784
    ZINC000005487838    		 1 C20 H15 Cl2 N O4 InChI=1S/C20H15Cl2NO4/c1-
    26-11-4-2-10(3-5-11)23-9-
    13-15(24)7-6-12-17-16(27-
    20(12)13)8-14(21)19(25)18
    (17)22/h2-5,8-9,23,25H,6-
    7H2,1H3/b13-9+;
    GOSOFAONCKLXHN-UKTHLTGXSA-N    		 COc1ccc(NC=C2C(=O)CCc3c2oc4cc(Cl)c(O)c(C
    l)c34)cc1; COc1ccc(cc1)N/C=C\2/c3c(c4c(o
    3)cc(c(c4Cl)O)Cl)CCC2=O; COc1ccc(cc1)NC=
    C2c3c(c4c(o3)cc(c(c4Cl)O)Cl)CCC2=O; COc1
    ccc(N\C=C2/C(=O)CCc3c2oc4cc(Cl)c(O)c(Cl)
    c34)cc1    		 (4~{Z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
    25905 KC6
    CHEMBL1615036
    ZINC000064754819    		 2 C14 H14 N4 O3 InChI=1S/C14H14N4O3/c15-3
    -6-18-13(19)9-1-4-16-11(7
    -9)12-8-10(14(20)21)2-5-1
    7-12/h1-2,4-5,7-8H,3,6,15
    H2,(H,18,19)(H,20,21);
    RTGDPYNAIULBPL-UHFFFAOYSA-N    		 NCCNC(=O)c1ccnc(c1)c2cc(ccn2)C(O)=O; O=C
    (O)c2ccnc(c1nccc(C(=O)NCCN)c1)c2; c1cnc(
    cc1C(=O)NCCN)c2cc(ccn2)C(=O)O    		 4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid
    25906 KC7
    ZINC000584905566    		 2 C21 H23 N3 O4 InChI=1S/C21H23N3O4/c25-1
    0-14-9-16(20(27)19(14)26)
    24-21-18-15(22-12-23-21)7
    -4-8-17(18)28-11-13-5-2-1
    -3-6-13/h1-8,12,14,16,19-
    20,25-27H,9-11H2,(H,22,23
    ,24)/t14-,16-,19-,20+/m1/
    s1;
    CFXPBFZKXXQRCM-FCNFAXOHSA-N    		 c1ccc(cc1)COc2cccc3c2c(ncn3)NC4CC(C(C4O)
    O)CO; OC[C@H]1C[C@@H](Nc2ncnc3cccc(OCc4c
    cccc4)c23)[C@H](O)[C@@H]1O; OC[CH]1C[CH]
    (Nc2ncnc3cccc(OCc4ccccc4)c23)[CH](O)[CH]
    1O; c1ccc(cc1)COc2cccc3c2c(ncn3)N[C@@H]4
    C[C@@H]([C@H]([C@H]4O)O)CO    		 (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol
    25907 KC8 2 C18 H16 N4 O2 InChI=1S/C18H16N4O2/c1-18
    (10-19-17(24)22-18)12-8-6
    -11(7-9-12)15-20-14-5-3-2
    -4-13(14)16(23)21-15/h2-9
    H,10H2,1H3,(H2,19,22,24)(
    H,20,21,23)/t18-/m1/s1;
    CVVFEJJXIBBZNQ-GOSISDBHSA-N    		 C[C@@]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4
    C(=O)N3; CC1(CNC(=O)N1)c2ccc(cc2)C3=Nc4c
    cccc4C(=O)N3; C[C]1(CNC(=O)N1)c2ccc(cc2)
    C3=Nc4ccccc4C(=O)N3    		 2-[4-[(4~{S})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{H}-quinazolin-4-one
    25908 KC9 4 C22 H19 N5 O3 InChI=1S/C22H19N5O3/c1-26
    -19(16(13-23-26)22(29)27-
    10-5-11-27)20(28)24-15-7-
    4-6-14(12-15)21-25-17-8-2
    -3-9-18(17)30-21/h2-4,6-9
    ,12-13H,5,10-11H2,1H3,(H,
    24,28);
    CZDAVTCJJVIGRW-UHFFFAOYSA-N    		 O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cccc(c1)c1n
    c2ccccc2o1; Cn1c(c(cn1)C(=O)N2CCC2)C(=O)
    Nc3cccc(c3)c4nc5ccccc5o4; Cn1ncc(C(=O)N2
    CCC2)c1C(=O)Nc3cccc(c3)c4oc5ccccc5n4    		 4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide
    25909 KCA
    ZINC000299817287    		 2 C22 H24 F N3 O3 InChI=1S/C22H24FN3O3/c1-2
    2(2,3)19(21(28)29-4)24-20
    (27)18-16-7-5-6-8-17(16)2
    6(25-18)13-14-9-11-15(23)
    12-10-14/h5-12,19H,13H2,1
    -4H3,(H,24,27)/t19-/m1/s1;
    RFCDVEHNYDVCMU-LJQANCHMSA-N    		 COC(=O)[CH](NC(=O)c1nn(Cc2ccc(F)cc2)c3cc
    ccc13)C(C)(C)C; COC(=O)[C@@H](NC(=O)c1nn
    (Cc2ccc(F)cc2)c3ccccc13)C(C)(C)C; CC(C)(
    C)C(C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(
    cc3)F; CC(C)(C)[C@@H](C(=O)OC)NC(=O)c1c2
    ccccc2n(n1)Cc3ccc(cc3)F; N(C(C(OC)=O)C(C
    )(C)C)C(c2nn(Cc1ccc(cc1)F)c3c2cccc3)=O    		 methyl N-{1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate
    25910 KCB
    ZINC000002914155    		 1 C20 H21 Cl N4 O3 InChI=1S/C20H21ClN4O3/c1-
    26-17-9-8-14(18(27-2)19(1
    7)28-3)16-10-15(12-4-6-13
    (21)7-5-12)24-20-22-11-23
    -25(16)20/h4-9,11,15-16H,
    10H2,1-3H3,(H,22,23,24)/t
    15-,16+/m0/s1;
    XHWFJRJOAPEGCX-JKSUJKDBSA-N    		 COc1ccc([C@H]2C[C@H](Nc3ncnn23)c4ccc(Cl)
    cc4)c(OC)c1OC; COc1ccc(c(c1OC)OC)C2CC(Nc
    3n2ncn3)c4ccc(cc4)Cl; COc1ccc(c(c1OC)OC)
    [C@H]2C[C@H](Nc3n2ncn3)c4ccc(cc4)Cl; COc
    1ccc([CH]2C[CH](Nc3ncnn23)c4ccc(Cl)cc4)c
    (OC)c1OC    		 (5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
    25911 KCC 5 C9 H9 N3 InChI=1S/C9H9N3/c1-10-9-6
    -11-7-4-2-3-5-8(7)12-9/h2
    -6H,1H3,(H,10,12);
    ILHBRNLXKVETML-UHFFFAOYSA-N    		 CNc1cnc2ccccc2n1 N-methylquinoxalin-2-amine
    25912 KCD
    CHEMBL4473072    		 1 C20 H24 F2 N2 O3 InChI=1S/C20H24F2N2O3/c1-
    20(2,26)14-4-6-15(7-5-14)
    24-18(25)13-9-12-3-8-16(2
    7-19(21)22)10-17(12)23-11
    -13/h3,8-11,14-15,19,26H,
    4-7H2,1-2H3,(H,24,25)/t14
    -,15-;
    YRWMWDLEUYLURJ-SHTZXODSSA-N    		 CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c2cnc3c
    c(OC(F)F)ccc3c2; CC(C)(O)[CH]1CC[CH](CC1
    )NC(=O)c2cnc3cc(OC(F)F)ccc3c2; CC(C)(C1C
    CC(CC1)NC(c3cnc2cc(OC(F)F)ccc2c3)=O)O; C
    C(C)(C1CCC(CC1)NC(=O)c2cc3ccc(cc3nc2)OC(
    F)F)O    		 7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
    25913 KCE 1 C23 H30 N6 O2 InChI=1S/C23H30N6O2/c1-15
    (11-16-5-8-18(9-6-16)23(2
    ,3)4)21(25-24)22-26-27-28
    -29(22)13-17-7-10-19-20(1
    2-17)31-14-30-19/h5-10,12
    ,15,21,25H,11,13-14,24H2,
    1-4H3/t15-,21+/m1/s1;
    BBOIZOIQFPNBML-VFNWGFHPSA-N    		 CC(Cc1ccc(cc1)C(C)(C)C)C(c2nnnn2Cc3ccc4c
    (c3)OCO4)NN; C[C@H](Cc1ccc(cc1)C(C)(C)C)
    [C@H](NN)c2nnnn2Cc3ccc4OCOc4c3; C[C@H](C
    c1ccc(cc1)C(C)(C)C)[C@@H](c2nnnn2Cc3ccc4
    c(c3)OCO4)NN; C[CH](Cc1ccc(cc1)C(C)(C)C)
    [CH](NN)c2nnnn2Cc3ccc4OCOc4c3    		 [(1~{S},2~{R})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane
    25914 KCF 4 C8 H9 Br N4 InChI=1S/C8H9BrN4/c1-12(2
    )8-10-7-5-6(9)3-4-13(7)11
    -8/h3-5H,1-2H3;
    JATIVHGFJAULAI-UHFFFAOYSA-N    		 CN(C)c1nn2ccc(Br)cc2n1; CN(C)c1nc2cc(ccn
    2n1)Br; CN(C)c1nc2cc(Br)ccn2n1    		 4-bromanyl-~{N},~{N}-dimethyl-1$l^{4},7,9-triazabicyclo[4.3.0]nona-1,3,5-trien-8-amine
    25915 KCH
    CHEMBL3775869
    ZINC000263620269    		 2 C12 H10 N2 O3 InChI=1S/C12H10N2O3/c13-8
    -1-2-11(15)9(6-8)10-5-7(1
    2(16)17)3-4-14-10/h1-6,15
    H,13H2,(H,16,17);
    BJCZMMOGTXVENP-UHFFFAOYSA-N    		 Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O; c1cc(c(c
    c1N)c2cc(ccn2)C(=O)O)O    		 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
    25916 KCI 1 C23 H24 N6 InChI=1S/C23H24N6/c1-17(1
    8-7-8-22(25-14-18)28-9-4-
    5-10-28)27-20-12-19(13-24
    -15-20)21-16-26-23-6-2-3-
    11-29(21)23/h2-3,6-8,11-1
    7,27H,4-5,9-10H2,1H3/t17-
    /m1/s1;
    XVRRLWMWIRHFPC-QGZVFWFLSA-N    		 C[C@H](c1ccc(nc1)N2CCCC2)Nc3cc(cnc3)c4cn
    c5n4cccc5; C[CH](Nc1cncc(c1)c2cnc3ccccn2
    3)c4ccc(nc4)N5CCCC5; C[C@@H](Nc1cncc(c1)
    c2cnc3ccccn23)c4ccc(nc4)N5CCCC5; CC(c1cc
    c(nc1)N2CCCC2)Nc3cc(cnc3)c4cnc5n4cccc5    		 5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine
    25917 KCJ
    ZINC000002568081    		 0 C6 H8 N2 O2 S InChI=1S/C6H8N2O2S/c7-5(6
    (9)10)1-4-2-11-3-8-4/h2-3
    ,5H,1,7H2,(H,9,10)/t5-/m0
    /s1;
    WBZIGVCQRXJYQD-YFKPBYRVSA-N    		 N[CH](Cc1cscn1)C(O)=O; c1scnc1CC(C(O)=O)
    N; c1c(ncs1)CC(C(=O)O)N; c1c(ncs1)C[C@@H
    ](C(=O)O)N; N[C@@H](Cc1cscn1)C(O)=O    		 3-(1,3-thiazol-4-yl)-L-alanine
    25918 KCL
    ZINC000020731614    		 1 C16 H16 N6 InChI=1S/C16H16N6/c1-11-1
    9-20-16-7-6-15(21-22(11)1
    6)17-9-8-12-10-18-14-5-3-
    2-4-13(12)14/h2-7,10,18H,
    8-9H2,1H3,(H,17,21);
    BINRVQZAEZOQTG-UHFFFAOYSA-N    		 Cc1nnc2n1nc(cc2)NCCc3c[nH]c4c3cccc4; Cc1
    nnc2ccc(NCCc3c[nH]c4ccccc34)nn12    		 ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
    25919 KCM 0 C13 H19 N5 O S InChI=1S/C13H19N5OS/c14-8
    (4-3-7-17-13(15)16)11(19)
    12-18-9-5-1-2-6-10(9)20-1
    2/h1-2,5-6,8,11,19H,3-4,7
    ,14H2,(H4,15,16,17)/t8-,1
    1-/m0/s1;
    OQVVRNVVVPTKAS-KWQFWETISA-N    		 [H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc
    2s1)O)N; c1ccc2c(c1)nc(s2)C(C(CCCNC(=N)N
    )N)O; N[CH](CCCNC(N)=N)[CH](O)c1sc2ccccc
    2n1; N[C@@H](CCCNC(N)=N)[C@H](O)c1sc2ccc
    cc2n1; C(CCCNC(\N)=N)(N)C(c1sc2c(n1)cccc
    2)O    		 N-[(4S,5S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]guanidine
    25920 KCO 2 Co O38 Si W11 InChI=1S/Co.O4Si.34O.11W/
    c;1-5(2,3)4;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;
    IDVQAOCIYXNSCW-UHFFFAOYSA-N    		 O=[W]123O[W]456(=O)O[Co]78O[W]9%10%11(=O
    )O[W]%12%13(=O)(O7)O[W]%14%15(=O)(O4)O[W
    ]%16%17(=O)(O5)O[W]%18%19(=O)(O1)O[W]%20
    (=O)(O2)(O9)O[W]%21%22(=O)(O%18)O[W]%23(
    =O)(O%10)(O%12)O[W](=O)(O%14)(O%16)(O%21
    )[O]%22%23[Si]([O]8%11%13)([O]3%19%20)[O
    ]6%15%17; O=[W]123O[W]456(=O)O[Co@@]78O[
    W]9%10%11(=O)O[W]%12%13(=O)(O7)O[W]%14%1
    5(=O)(O4)O[W]%16%17(=O)(O5)O[W]%18%19(=O
    )(O1)O[W]%20(=O)(O2)(O9)O[W]%21%22(=O)(O
    %18)O[W]%23(=O)(O%10)(O%12)O[W](=O)(O%14
    )(O%16)(O%21)[O]%22%23[Si@@]([O]8%11%13)
    ([O]3%19%20)[O]6%15%17; O=[W]123O[W]456(
    =O)O[Co]78O[W]9%10%11(=O)O77[Si@]%12%13O
    11[W]%14(=O)(O2)(O9)O[W]11(=O)(O3)O[W]23
    (=O)(O4%12[W]4(=O)(O5)(O2)O[W]7(=O)(O8)(
    O%10)O[W]25(=O)(O%11)O%137[W](=O)(O%14)(
    O1)(O2)O[W]7(=O)(O4)(O3)O5)O6; O=[W]123O
    [W]456(=O)O[Co]78O[W]9%10%11(=O)O77[Si]%
    12%13O11[W]%14(=O)(O2)(O9)O[W]11(=O)(O3)
    O[W]23(=O)(O4%12[W]4(=O)(O5)(O2)O[W]7(=O
    )(O8)(O%10)O[W]25(=O)(O%11)O%137[W](=O)(
    O%14)(O1)(O2)O[W]7(=O)(O4)(O3)O5)O6    		 Co-substituted beta-Keggin
    25921 KCP
    DB02247
    ZINC000002043394    		 1 C14 H16 N2 O5 S2 InChI=1S/C14H16N2O5S2/c1-
    7-6-23-12(16-10(7)13(18)1
    9)11(14(20)21)15-9(17)5-8
    -3-2-4-22-8/h2-4,11-12,16
    H,5-6H2,1H3,(H,15,17)(H,1
    8,19)(H,20,21)/t11-,12-/m
    0/s1;
    JRYZEMHNDUZNMI-RYUDHWBXSA-N    		 CC1=C(NC(SC1)C(C(=O)O)NC(=O)Cc2cccs2)C(=
    O)O; CC1=C(N[C@@H](SC1)[C@@H](C(=O)O)NC(
    =O)Cc2cccs2)C(=O)O; CC1=C(N[CH](SC1)[CH]
    (NC(=O)Cc2sccc2)C(O)=O)C(O)=O; CC1=C(N[C
    @@H](SC1)[C@H](NC(=O)Cc2sccc2)C(O)=O)C(O
    )=O; O=C(O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)
    C(=O)O)C    		 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID;
    HYDROLYZED CEPHALOTHIN
    25922 KCQ
    ZINC000060272990    		 0 C8 H14 N2 O2 InChI=1S/C8H14N2O2/c1-5(1
    1)7(9)4-6-2-3-10-8(6)12/h
    6-7H,2-4,9H2,1H3,(H,10,12
    )/t6-,7-/m0/s1;
    SFDIYLJAXOWYNO-BQBZGAKWSA-N    		 CC(=O)[CH](N)C[CH]1CCNC1=O; CC(=O)[C@@H]
    (N)C[C@@H]1CCNC1=O; O=C1NCCC1CC(N)C(=O)C
    ; CC(=O)[C@H](C[C@@H]1CCNC1=O)N; CC(=O)C
    (CC1CCNC1=O)N    		 (3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-2-ONE
    25923 KCR
    ZINC000230402790    		 0 C10 H18 N2 O3 InChI=1S/C10H18N2O3/c1-2-
    5-9(13)12-7-4-3-6-8(11)10
    (14)15/h2,5,8H,3-4,6-7,11
    H2,1H3,(H,12,13)(H,14,15)
    /b5-2+/t8-/m0/s1;
    IZHPCCLNIDDVFG-NCJLJLRUSA-N    		 CC=CC(=O)NCCCC[CH](N)C(O)=O; CC=CC(=O)NC
    CCCC(C(=O)O)N; C/C=C/C(=O)NCCCC[C@@H](C(
    =O)O)N; C\C=C\C(=O)NCCCC[C@H](N)C(O)=O;
    NC(C(O)=O)CCCCNC(=O)[C@H]=[C@H]C    		 N-6-crotonyl-L-lysine
    25924 KCS
    CHEMBL1207991
    ZINC000044418363    		 1 C H2 S3 InChI=1S/CH2S3/c2-1(3)4/h
    (H2,2,3,4);
    HIZCIEIDIFGZSS-UHFFFAOYSA-N    		 C(=S)(S)S; S=C(S)S; SC(S)=S carbonotrithioic acid;
    Trithiocarbonic acid
    25925 KCT
    ZINC000085591858    		 2 C21 H13 N3 O3 InChI=1S/C21H13N3O3/c25-2
    0-16-14-10-6-2-4-8-12(10)
    23-18(14)17-13(15(16)19(2
    4-20)21(26)27)9-5-1-3-7-1
    1(9)22-17/h1-8,19,22-23H,
    (H,24,25)(H,26,27)/t19-/m
    0/s1;
    LYSTWLDKIFYXOG-IBGZPJMESA-N    		 OC(=O)[CH]1NC(=O)c2c1c3c([nH]c4ccccc34)c
    5[nH]c6ccccc6c25; c1ccc2c(c1)c3c4c(c5c6c
    cccc6[nH]c5c3[nH]2)C(=O)N[C@@H]4C(=O)O;
    O=C(O)C6c5c2c1ccccc1nc2c4nc3ccccc3c4c5C(
    =O)N6; OC(=O)[C@H]1NC(=O)c2c1c3c([nH]c4c
    cccc34)c5[nH]c6ccccc6c25; c1ccc2c(c1)c3c
    4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4C(=O)
    O    		 (5S)-7-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid
    25926 KCU 1 C20 H18 Cl N5 O InChI=1S/C20H18ClN5O/c1-2
    -10-26-18(15(21)12-22-26)
    20(27)23-14-8-9-16-17(11-
    14)25-19(24-16)13-6-4-3-5
    -7-13/h3-9,11-12H,2,10H2,
    1H3,(H,23,27)(H,24,25);
    NJHNXERHVAPHPG-UHFFFAOYSA-N    		 CCCn1ncc(Cl)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4
    ccccc4; Clc1cnn(CCC)c1C(=O)Nc1ccc2[NH]c(
    nc2c1)c1ccccc1; CCCn1c(c(cn1)Cl)C(=O)Nc2
    ccc3c(c2)nc([nH]3)c4ccccc4    		 4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-1-propyl-1H-pyrazole-5-carboxamide
    25927 KCV
    ZINC000005685796    		 1 C12 H12 Cl N3 O S InChI=1S/C12H12ClN3OS/c1-
    2-7-16-11(14-15-12(16)18)
    8-17-10-5-3-9(13)4-6-10/h
    2-6H,1,7-8H2,(H,15,18);
    DGUCHXFAQSKIJN-UHFFFAOYSA-N    		 C=CCn1c(nnc1S)COc2ccc(cc2)Cl; Sc1nnc(COc
    2ccc(Cl)cc2)n1CC=C    		 5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
    25928 KCX
    DB03801
    ZINC000006753301    		 0 C7 H14 N2 O4 InChI=1S/C7H14N2O4/c8-5(6
    (10)11)3-1-2-4-9-7(12)13/
    h5,9H,1-4,8H2,(H,10,11)(H
    ,12,13)/t5-/m0/s1;
    PWIKLEYMFKCERQ-YFKPBYRVSA-N    		 C(CCNC(=O)O)CC(C(=O)O)N; C(CCNC(=O)O)C[C
    @@H](C(=O)O)N; N[C@@H](CCCCNC(O)=O)C(O)=
    O; O=C(O)NCCCCC(C(=O)O)N; N[CH](CCCCNC(O
    )=O)C(O)=O    		 LYSINE NZ-CARBOXYLIC ACID
    25929 KCY
    ZINC000000895703    		 1 C4 H9 N O2 S InChI=1S/C4H9NO2S/c5-3(1-
    2-8)4(6)7/h3,8H,1-2,5H2,(
    H,6,7)/t3-/m1/s1;
    FFFHZYDWPBMWHY-GSVOUGTGSA-N    		 C(CS)[C@H](C(=O)O)N; N[C@H](CCS)C(O)=O;
    C(C(N)CCS)(=O)O; N[CH](CCS)C(O)=O; C(CS)
    C(C(=O)O)N    		 D-homocysteine
    25930 KCZ 1 C17 H21 N O2 InChI=1S/C17H21NO2/c1-13(
    15-5-3-2-4-6-15)12-18-10-
    9-14-7-8-16(19)17(20)11-1
    4/h2-8,11,13,18-20H,9-10,
    12H2,1H3/t13-/m0/s1;
    NXTJHSKVIAFFNX-ZDUSSCGKSA-N    		 C[CH](CNCCc1ccc(O)c(O)c1)c2ccccc2; C[C@@
    H](CNCCc1ccc(c(c1)O)O)c2ccccc2; C[C@@H](
    CNCCc1ccc(O)c(O)c1)c2ccccc2; CC(CNCCc1cc
    c(c(c1)O)O)c2ccccc2    		 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol
    25931 KD0
    ZINC000003870009    		 6 C8 H15 O11 P InChI=1S/C8H15O11P/c9-3(1
    -4(10)8(14)15)6(12)7(13)5
    (11)2-19-20(16,17)18/h3,5
    -7,9,11-13H,1-2H2,(H,14,1
    5)(H2,16,17,18)/t3-,5-,6-
    ,7-/m1/s1;
    RTNBXJBOAIDPME-SHUUEZRQSA-N    		 C(C(C(C(C(COP(=O)(O)O)O)O)O)O)C(=O)C(=O)
    O; O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O
    )[C@H](O)CC(=O)C(O)=O; O=P(O)(O)OCC(O)C(
    O)C(O)C(O)CC(=O)C(=O)O; C([C@H]([C@H]([C
    @@H]([C@@H](COP(=O)(O)O)O)O)O)O)C(=O)C(=
    O)O; O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[
    CH](O)CC(=O)C(O)=O    		 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid
    25932 KD3
    ZINC000044168213    		 4 C8 H14 O8 InChI=1S/C8H14O8/c9-2-4(1
    1)6-5(12)3(10)1-8(15,16-6
    )7(13)14/h3-6,9-12,15H,1-
    2H2,(H,13,14)/t3-,4-,5-,6
    -,8+/m1/s1;
    NNLZBVFSCVTSLA-FBXMPTEYSA-N    		 OC[C@@H](O)[C@H]1O[C@@](O)(C[C@@H](O)[C@
    H]1O)C(O)=O; C1C(C(C(OC1(C(=O)O)O)C(CO)O
    )O)O; OC[CH](O)[CH]1O[C](O)(C[CH](O)[CH]
    1O)C(O)=O; C1[C@H]([C@H]([C@H](O[C@@]1(C
    (=O)O)O)[C@@H](CO)O)O)O; OC(=O)C1(O)CC(O
    )C(O)C(O1)C(O)CO    		 3-deoxy-beta-D-manno-oct-2-ulopyranosonic acid
    25933 KD4 4 C10 H9 Cl N2 O InChI=1S/C10H9ClN2O/c1-6-
    10(11)13-7-4-3-5-8(14-2)9
    (7)12-6/h3-5H,1-2H3;
    ZBKVHXYHLSSFDG-UHFFFAOYSA-N    		 Cc1c(nc2cccc(c2n1)OC)Cl; COc1cccc2nc(Cl)
    c(C)nc12    		 2-chloro-5-methoxy-3-methylquinoxaline
    25934 KD5 0 C8 H12 O7 InChI=1S/C8H12O7/c9-2-5-7
    (12)6(11)4(15-5)1-3(10)8(
    13)14/h4-7,9,11-12H,1-2H2
    ,(H,13,14)/t4?,5-,6-,7-/m
    1/s1;
    HVHHMEMCULPBED-UVSCYPECSA-N    		 C(C1C(C(C(O1)CO)O)O)C(=O)C(=O)O; OC[C@H]
    1O[C@H](CC(=O)C(O)=O)[C@@H](O)[C@@H]1O;
    C([C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(
    =O)C(=O)O; OC[CH]1O[CH](CC(=O)C(O)=O)[CH
    ](O)[CH]1O; O=C(O)C(=O)CC1OC(CO)C(O)C1O    		 4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
    25935 KD6
    CHEMBL5202453
    ZINC000034291469    		 1 C8 H5 Br Cl N InChI=1S/C8H5BrClN/c9-6-3
    -5-1-2-11-8(5)4-7(6)10/h1
    -4,11H;
    SMZUROGBNBCCPT-UHFFFAOYSA-N    		 Clc1cc2[nH]ccc2cc1Br; c1c[nH]c2c1cc(c(c2
    )Cl)Br    		 5-bromanyl-6-chloranyl-1~{H}-indole
    25936 KD7 1 C33 H42 N8 O4 S2 InChI=1S/C33H42N8O4S2/c1-
    20(2)28(41-30(44)25(17-22
    -18-46-19-37-22)38-27(42)
    15-14-21-9-4-3-5-10-21)31
    (45)39-24(12-8-16-36-33(3
    4)35)29(43)32-40-23-11-6-
    7-13-26(23)47-32/h3-7,9-1
    1,13,18-20,24-25,28-29,43
    H,8,12,14-17H2,1-2H3,(H,3
    8,42)(H,39,45)(H,41,44)(H
    4,34,35,36)/t24-,25-,28-,
    29-/m0/s1;
    AHZGKBJWEMYHLE-NSIYGSDQSA-N    		 CC(C)C(C(=O)NC(CCCNC(=N)N)C(c1nc2ccccc2s
    1)O)NC(=O)C(Cc3cscn3)NC(=O)CCc4ccccc4; C
    C(C)[CH](NC(=O)[CH](Cc1cscn1)NC(=O)CCc2c
    cccc2)C(=O)N[CH](CCCNC(N)=N)[CH](O)c3sc4
    ccccc4n3; C(=O)(CCc1ccccc1)NC(C(=O)NC(C(
    =O)NC(CCCNC(\N)=N)C(c2sc3c(n2)cccc3)O)C(
    C)C)Cc4cscn4; [H]/N=C(/N)\NCCC[C@@H]([C@
    @H](c1nc2ccccc2s1)O)NC(=O)[C@H](C(C)C)NC
    (=O)[C@H](Cc3cscn3)NC(=O)CCc4ccccc4; CC(
    C)[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc2c
    cccc2)C(=O)N[C@@H](CCCNC(N)=N)[C@H](O)c3
    sc4ccccc4n3    		 N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide
    25937 KD8
    CHEMBL1703022
    ZINC000008462106    		 1 C8 H8 N4 O S InChI=1S/C8H8N4OS/c1-3-4(
    2)10-6-5(9-3)7(13)12-8(14
    )11-6/h1-2H3,(H2,10,11,12
    ,13,14);
    FMPVXDGAZOSEMT-UHFFFAOYSA-N    		 Cc1nc2NC(=S)NC(=O)c2nc1C; Cc1c(nc2c(n1)C
    (=O)NC(=S)N2)C    		 6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one
    25938 KD9 6 C24 H24 N5 O15 P3 InChI=1S/C24H24N5O15P3/c2
    5-21-17-22(27-11-26-21)29
    (12-28-17)23-19(31)20(16(
    41-23)10-40-46(36,37)44-4
    7(38,39)43-45(33,34)35)42
    -24(32)15-8-6-14(7-9-15)1
    8(30)13-4-2-1-3-5-13/h1-9
    ,11-12,16,19-20,23,31H,10
    H2,(H,36,37)(H,38,39)(H2,
    25,26,27)(H2,33,34,35)/t1
    6-,19-,20-,23-/m1/s1;
    AWJJLYZBWRIBCZ-UGTJMOTHSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O
    [P](O)(=O)O[P](O)(O)=O)[CH](OC(=O)c4ccc(
    cc4)C(=O)c5ccccc5)[CH]3O; Nc1ncnc2n(cnc1
    2)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O
    [P](O)(O)=O)[C@@H](OC(=O)c4ccc(cc4)C(=O)
    c5ccccc5)[C@H]3O; O=C(c1ccccc1)c1ccc(cc1
    )C(=O)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O
    )OC(n2cnc3c(N)ncnc32)C1O; c1ccc(cc1)C(=O
    )c2ccc(cc2)C(=O)OC3C(OC(C3O)n4cnc5c4ncnc
    5N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O; c1ccc(
    cc1)C(=O)c2ccc(cc2)C(=O)O[C@@H]3[C@H](O[
    C@H]([C@@H]3O)n4cnc5c4ncnc5N)COP(=O)(O)O
    P(=O)(O)OP(=O)(O)O    		 3'-O-(4-benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate)
    25939 KDA
    ZINC000005852687    		 11 C11 H18 O8 InChI=1S/C11H18O8/c1-2-3-
    18-11(10(16)17)4-6(13)8(1
    5)9(19-11)7(14)5-12/h2,6-
    9,12-15H,1,3-5H2,(H,16,17
    )/t6-,7-,8-,9-,11-/m1/s1;
    LEEKAQBTVJRLOA-UEWQFTGXSA-N    		 OC[C@@H](O)[C@H]1O[C@@](C[C@@H](O)[C@H]1
    O)(OCC=C)C(O)=O; O=C(O)C1(OC\C=C)OC(C(O)
    CO)C(O)C(O)C1; C=CCOC1(CC(C(C(O1)C(CO)O)
    O)O)C(=O)O; C=CCO[C@@]1(C[C@H]([C@H]([C@
    H](O1)[C@@H](CO)O)O)O)C(=O)O; OC[CH](O)[
    CH]1O[C](C[CH](O)[CH]1O)(OCC=C)C(O)=O    		 prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid;
    (3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL;
    prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulosidonic acid;
    prop-2-en-1-yl 3-deoxy-D-manno-oct-2-ulosidonic acid;
    prop-2-en-1-yl 3-deoxy-manno-oct-2-ulosidonic acid
    25940 KDB
    ZINC000058638928    		 2 C8 H12 O6 InChI=1S/C8H12O6/c9-4-5(1
    0)6-2-1-3-8(13,14-6)7(11)
    12/h1,3,5-6,9-10,13H,2,4H
    2,(H,11,12)/t5-,6+,8-/m1/
    s1;
    ITFIFEKDEVIBCW-GKROBHDKSA-N    		 C1C=C[C@@](O[C@@H]1[C@@H](CO)O)(C(=O)O)O
    ; OC[CH](O)[CH]1CC=C[C](O)(O1)C(O)=O; OC
    1(C(=O)O)C=CCC(C(CO)O)O1; C1C=CC(OC1C(CO
    )O)(C(=O)O)O; OC[C@@H](O)[C@@H]1CC=C[C@@
    ](O)(O1)C(O)=O    		 3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid;
    3,4-dehydro-3,4,5-trideoxy-alpha-D-manno-oct-2-ulosonic acid;
    3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulosonic acid;
    3,4,5-trideoxy-D-erythro-oct-3-en-2-ulosonic acid;
    3,4,5-trideoxy-erythro-oct-3-en-2-ulosonic acid
    25941 KDC 4 C17 H16 N4 O S2 InChI=1S/C17H16N4OS2/c1-3
    -22-14-6-11(18-7-10(14)2)
    8-23-17-20-12-4-5-13-16(1
    5(12)21-17)24-9-19-13/h4-
    7,9H,3,8H2,1-2H3,(H,20,21
    );
    HKPVABDPZYJNNW-UHFFFAOYSA-N    		 CCOc1cc(ncc1C)CSc1nc2ccc3ncsc3c2[NH]1; C
    COc1cc(CSc2[nH]c3c4scnc4ccc3n2)ncc1C; CC
    Oc1cc(ncc1C)CSc2[nH]c3c(n2)ccc4c3scn4    		 7-{[(4-ethoxy-5-methylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole
    25942 KDD
    ZINC000058639086    		 0 C8 H12 O6 InChI=1S/C8H12O6/c9-3-5(1
    1)6-1-4(10)2-7(14-6)8(12)
    13/h2,4-6,9-11H,1,3H2,(H,
    12,13)/t4-,5-,6+/m1/s1;
    DVEBLXNKVWKMJU-PBXRRBTRSA-N    		 OC[CH](O)[CH]1C[CH](O)C=C(O1)C(O)=O; C1C
    (C=C(OC1C(CO)O)C(=O)O)O; OC[C@@H](O)[C@@
    H]1C[C@@H](O)C=C(O1)C(O)=O; C1[C@H](OC(=
    CC1O)C(=O)O)[C@@H](CO)O    		 2,6-anhydro-3,5-dideoxy-D-ribo-oct-2-enonic acid;
    5-deoxy-4-epi-2,3-dehydro-alpha-D-manno-oct-2-ulosonic acid
    25943 KDE
    ZINC000058650268    		 2 C11 H18 O8 InChI=1S/C11H18O8/c1-2-3-
    18-11(10(16)17)4-6(13)8(1
    5)9(19-11)7(14)5-12/h2,6-
    9,12-15H,1,3-5H2,(H,16,17
    )/t6-,7+,8-,9-,11-/m1/s1;
    LEEKAQBTVJRLOA-WNPHYYBUSA-N    		 O=C(O)C1(OC\C=C)OC(C(O)CO)C(O)C(O)C1; C=
    CCOC1(CC(C(C(O1)C(CO)O)O)O)C(=O)O; C=CCO
    [C@@]1(C[C@H]([C@H]([C@H](O1)[C@H](CO)O)
    O)O)C(=O)O; OC[CH](O)[CH]1O[C](C[CH](O)[
    CH]1O)(OCC=C)C(O)=O; OC[C@H](O)[C@H]1O[C
    @@](C[C@@H](O)[C@H]1O)(OCC=C)C(O)=O    		 prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid;
    ALPHA-7-EPI-(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL;
    prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulosidonic acid;
    prop-2-en-1-yl 3-deoxy-L-gulo-oct-2-ulosidonic acid;
    prop-2-en-1-yl 3-deoxy-gulo-oct-2-ulosidonic acid
    25944 KDF 3 C6 H10 O6 InChI=1S/C6H10O6/c7-2-4-3
    (8)1-6(11,12-4)5(9)10/h3-
    4,7-8,11H,1-2H2,(H,9,10)/
    t3-,4+,6+/m0/s1;
    RCUMQJPRQWRUNN-MRKVFDINSA-N    		 OC[CH]1O[C](O)(C[CH]1O)C(O)=O; OC[C@H]1O
    [C@](O)(C[C@@H]1O)C(O)=O; O=C(O)C1(O)OC(
    CO)C(O)C1; C1C(C(OC1(C(=O)O)O)CO)O; C1[C
    @@H]([C@H](O[C@]1(C(=O)O)O)CO)O    		 3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid;
    2-keto-3-deoxygluconate;
    3-deoxy-alpha-D-erythro-hex-2-ulosonic acid;
    3-deoxy-D-erythro-hex-2-ulosonic acid;
    3-deoxy-erythro-hex-2-ulosonic acid
    25945 KDG
    ZINC000001532568    		 26 C6 H10 O6 InChI=1S/C6H10O6/c7-2-5(1
    0)3(8)1-4(9)6(11)12/h3,5,
    7-8,10H,1-2H2,(H,11,12)/t
    3-,5+/m0/s1;
    WPAMZTWLKIDIOP-WVZVXSGGSA-N    		 C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O; OC[C
    @@H](O)[C@@H](O)CC(=O)C(O)=O; O=C(C(=O)O
    )CC(O)C(O)CO; OC[CH](O)[CH](O)CC(=O)C(O)
    =O; C(C(C(CO)O)O)C(=O)C(=O)O    		 2-KETO-3-DEOXYGLUCONATE
    25946 KDH
    CHEMBL297453
    DB12116
    ZINC000003870412    		 40 C22 H18 O11 InChI=1S/C22H18O11/c23-10
    -5-12(24)11-7-18(33-22(31
    )9-3-15(27)20(30)16(28)4-
    9)21(32-17(11)6-10)8-1-13
    (25)19(29)14(26)2-8/h1-6,
    18,21,23-30H,7H2/t18-,21-
    /m1/s1;
    WMBWREPUVVBILR-WIYYLYMNSA-N    		 c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(c
    c3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O; Oc1cc(
    O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H
    ](Oc2c1)c4cc(O)c(O)c(O)c4; c1c(cc(c(c1O)
    O)O)C2C(Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c
    (c4)O)O)O; Oc1cc(O)c2C[CH](OC(=O)c3cc(O)
    c(O)c(O)c3)[CH](Oc2c1)c4cc(O)c(O)c(O)c4;
    O=C(OC2Cc3c(OC2c1cc(O)c(O)c(O)c1)cc(O)c
    c3O)c4cc(O)c(O)c(O)c4    		 (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate;
    (-)-Epigallocatechin-3-gallate;
    EGCG
    25947 KDI
    CHEMBL2177180
    ZINC000038431916    		 2 C20 H28 N6 O4 S InChI=1S/C20H28N6O4S/c1-2
    5-9-11-26(12-10-25)31(28,
    29)16-6-4-15(5-7-16)17-14
    -23-19(21)18(24-17)20(27)
    22-8-3-13-30-2/h4-7,14H,3
    ,8-13H2,1-2H3,(H2,21,23)(
    H,22,27);
    YVGRIAWEROZMPD-UHFFFAOYSA-N    		 CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3
    )C(=O)NCCCOC)N; COCCCNC(=O)c1nc(cnc1N)c2
    ccc(cc2)[S](=O)(=O)N3CCN(C)CC3; O=S(=O)(
    c2ccc(c1nc(C(=O)NCCCOC)c(nc1)N)cc2)N3CCN
    (C)CC3    		 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE
    25948 KDJ
    CHEMBL4595084    		 5 C8 H19 F2 N O24 P6 InChI=1S/C8H19F2NO24P6/c9
    -8(10,36(13,14)15)7(12)11
    -1-2(31-37(16,17)18)4(33-
    39(22,23)24)6(35-41(28,29
    )30)5(34-40(25,26)27)3(1)
    32-38(19,20)21/h1-6H,(H,1
    1,12)(H2,13,14,15)(H2,16,
    17,18)(H2,19,20,21)(H2,22
    ,23,24)(H2,25,26,27)(H2,2
    8,29,30)/t1-,2-,3+,4+,5-,
    6+;
    XBHZOGSBYRIXJA-QWBQGLJISA-N    		 C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O
    )(O)O)OP(=O)(O)O)OP(=O)(O)O)NC(=O)C(F)(F
    )P(=O)(O)O; O[P](O)(=O)O[C@H]1[C@H](NC(=
    O)C(F)(F)[P](O)(O)=O)[C@@H](O[P](O)(O)=O
    )[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[
    C@@H]1O[P](O)(O)=O; [C@H]1([C@H](C([C@H]
    ([C@@H](C1NC(=O)C(F)(F)P(=O)(O)O)OP(=O)(
    O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(
    =O)(O)O; O[P](O)(=O)O[CH]1[CH](NC(=O)C(F
    )(F)[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O
    [P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](
    O)(O)=O; N(C(C(P(O)(O)=O)(F)F)=O)C1C(C(C
    (C(C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(=O)O)OP
    (O)(=O)O)OP(O)(O)=O    		 (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid
    25949 KDK 2 C17 H21 N3 S InChI=1S/C17H21N3S/c18-17
    (19)16-11-14(13-4-2-1-3-5
    -13)15(21-16)10-12-6-8-20
    -9-7-12/h1-5,11-12,20H,6-
    10H2,(H3,18,19);
    YAVOSGXIZPYJCA-UHFFFAOYSA-N    		 NC(=N)c1sc(CC2CCNCC2)c(c1)c3ccccc3; [H]/
    N=C(/c1cc(c(s1)CC2CCNCC2)c3ccccc3)\N; c1
    ccc(cc1)c2cc(sc2CC3CCNCC3)C(=N)N    		 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide
    25950 KDL 23 C110 H202 N2 O39 P2 InChI=1S/C110H202N2O39P2/
    c1-7-13-19-25-31-37-38-44
    -50-56-62-68-92(123)142-8
    2(66-60-54-48-42-35-29-23
    -17-11-5)72-94(125)146-10
    4-96(112-90(121)71-81(65-
    59-53-47-41-34-28-22-16-1
    0-4)141-91(122)67-61-55-4
    9-43-36-30-24-18-12-6)105
    (144-88(102(104)150-152(1
    33,134)135)78-140-109(107
    (129)130)74-86(98(127)101
    (148-109)85(119)76-114)14
    7-110(108(131)132)73-83(1
    17)97(126)100(149-110)84(
    118)75-113)139-77-87-99(1
    28)103(145-93(124)70-80(1
    16)64-58-52-46-40-33-27-2
    1-15-9-3)95(106(143-87)15
    1-153(136,137)138)111-89(
    120)69-79(115)63-57-51-45
    -39-32-26-20-14-8-2/h79-8
    8,95-106,113-119,126-128H
    ,7-78H2,1-6H3,(H,111,120)
    (H,112,121)(H,129,130)(H,
    131,132)(H2,133,134,135)(
    H2,136,137,138)/t79-,80-,
    81-,82-,83-,84-,85-,86-,8
    7-,88-,95-,96-,97-,98-,99
    -,100-,101-,102-,103-,104
    -,105-,106-,109-,110-/m1/
    s1;
    DIXUKJUHGLIZGU-OIPVZEHTSA-N    		 CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=
    O)O[CH]1[CH](NC(=O)C[CH](CCCCCCCCCCC)OC(
    =O)CCCCCCCCCCC)[CH](OC[CH]2O[CH](O[P](O)
    (O)=O)[CH](NC(=O)C[CH](O)CCCCCCCCCCC)[CH
    ](OC(=O)C[CH](O)CCCCCCCCCCC)[CH]2O)O[CH]
    (CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](
    O4)[CH](O)CO)C(O)=O)[CH](O)[CH](O3)[CH](
    O)CO)C(O)=O)[CH]1O[P](O)(O)=O; CCCCCCCCC
    CCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(
    C1OP(=O)(O)O)COC2(CC(C(C(O2)C(CO)O)O)OC3
    (CC(C(C(O3)C(CO)O)O)O)C(=O)O)C(=O)O)OCC4
    C(C(C(C(O4)OP(=O)(O)O)NC(=O)CC(CCCCCCCCC
    CC)O)OC(=O)CC(CCCCCCCCCCC)O)O)NC(=O)CC(C
    CCCCCCCCCC)OC(=O)CCCCCCCCCCC; CCCCCCCCCC
    CCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]
    1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)C
    O[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)
    O)O)O[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H]
    (CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]4[C@H]([
    C@@H]([C@H]([C@H](O4)OP(=O)(O)O)NC(=O)C[
    C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCC
    CCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=
    O)CCCCCCCCCCC; CCCCCCCCCCCCCC(=O)O[C@H](
    CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C
    [C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@
    H](OC[C@H]2O[C@H](O[P](O)(O)=O)[C@H](NC(
    =O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C
    @H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@
    ]3(C[C@@H](O[C@@]4(C[C@@H](O)[C@@H](O)[C
    @H](O4)[C@H](O)CO)C(O)=O)[C@@H](O)[C@H](
    O3)[C@H](O)CO)C(O)=O)[C@H]1O[P](O)(O)=O    		 (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid
    25951 KDM
    ZINC000004521632    		 13 C9 H16 O9 InChI=1S/C9H16O9/c10-2-4(
    12)6(14)7-5(13)3(11)1-9(1
    7,18-7)8(15)16/h3-7,10-14
    ,17H,1-2H2,(H,15,16)/t3-,
    4+,5+,6+,7+,9+/m0/s1;
    CLRLHXKNIYJWAW-LSRLBZCKSA-N    		 C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C
    @@H]([C@@H](CO)O)O)O)O; C1C(C(C(OC1(C(=O
    )O)O)C(C(CO)O)O)O)O; OC[CH](O)[CH](O)[CH
    ]1O[C](O)(C[CH](O)[CH]1O)C(O)=O; OC[C@@H
    ](O)[C@@H](O)[C@@H]1O[C@](O)(C[C@H](O)[C
    @H]1O)C(O)=O    		 deamino-alpha-neuraminic acid;
    alpha-deaminoneuraminic acid;
    3-deoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;
    sialic acid;
    (2R,4S,5R,6R)-2,4,5-TRIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC-ACID
    25952 KDN
    ZINC000013436054    		 8 C9 H16 O9 InChI=1S/C9H16O9/c10-2-4(
    12)6(14)7-5(13)3(11)1-9(1
    7,18-7)8(15)16/h3-7,10-14
    ,17H,1-2H2,(H,15,16)/t3-,
    4+,5+,6+,7+,9-/m0/s1;
    CLRLHXKNIYJWAW-YOQZMRDMSA-N    		 C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)O)O; C1[
    C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@
    H]([C@@H](CO)O)O)O)O; OC[CH](O)[CH](O)[C
    H]1O[C](O)(C[CH](O)[CH]1O)C(O)=O; OC[C@@
    H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)
    [C@H]1O)C(O)=O; O=C(O)C1(O)OC(C(O)C(O)CO
    )C(O)C(O)C1    		 deamino-beta-neuraminic acid;
    beta-deaminoneuraminic acid;
    3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid;
    sialic acid
    25953 KDO
    DB03548
    ZINC000005851513    		 25 C8 H14 O8 InChI=1S/C8H14O8/c9-2-4(1
    1)6-5(12)3(10)1-8(15,16-6
    )7(13)14/h3-6,9-12,15H,1-
    2H2,(H,13,14)/t3-,4-,5-,6
    -,8-/m1/s1;
    NNLZBVFSCVTSLA-HXUQBWEZSA-N    		 OC[C@@H](O)[C@H]1O[C@](O)(C[C@@H](O)[C@H
    ]1O)C(O)=O; C1[C@H]([C@H]([C@H](O[C@]1(C
    (=O)O)O)[C@@H](CO)O)O)O; C1C(C(C(OC1(C(=
    O)O)O)C(CO)O)O)O; OC[CH](O)[CH]1O[C](O)(
    C[CH](O)[CH]1O)C(O)=O; O=C(O)C1(O)OC(C(O
    )CO)C(O)C(O)C1    		 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid;
    3-deoxy-d-manno-oct-2-ulopyranosonic acid;
    2-keto-3-deoxy-D-mannooctanoic acid;
    3-deoxy-alpha-D-manno-oct-2-ulosonic acid;
    3-deoxy-D-manno-oct-2-ulosonic acid;
    3-deoxy-manno-oct-2-ulosonic acid
    25954 KDP 2 C6 H11 O9 P InChI=1S/C6H11O9P/c7-3(1-
    4(8)6(10)11)5(9)2-15-16(1
    2,13)14/h3,5,7,9H,1-2H2,(
    H,10,11)(H2,12,13,14)/t3-
    ,5-/m1/s1;
    OVPRPPOVAXRCED-NQXXGFSBSA-N    		 C([C@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O
    )O; C(C(C(COP(=O)(O)O)O)O)C(=O)C(=O)O; O
    =P(O)(O)OCC(O)C(O)CC(=O)C(=O)O; O[C@H](C
    O[P](O)(O)=O)[C@H](O)CC(=O)C(O)=O; O[CH]
    (CO[P](O)(O)=O)[CH](O)CC(=O)C(O)=O    		 2-KETO-DEOXY-GALACTOSE
    25955 KDQ
    CHEMBL4564064    		 1 C22 H26 Cl N3 O5 S InChI=1S/C22H26ClN3O5S/c2
    3-19-9-8-17(14-27)18(11-1
    9)12-24-22(29)20-7-4-10-2
    6(20)21(28)13-25-32(30,31
    )15-16-5-2-1-3-6-16/h1-3,
    5-6,8-9,11,20,25,27H,4,7,
    10,12-15H2,(H,24,29)/t20-
    /m0/s1;
    ZWZCPMJCUATTCO-FQEVSTJZSA-N    		 c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCCC2C(=O)N
    Cc3cc(ccc3CO)Cl; OCc1ccc(Cl)cc1CNC(=O)[C
    @@H]2CCCN2C(=O)CN[S](=O)(=O)Cc3ccccc3; O
    Cc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)CN[S]
    (=O)(=O)Cc3ccccc3; c1ccc(cc1)CS(=O)(=O)N
    CC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CO)Cl    		 (2~{S})-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide
    25956 KDR
    ZINC000058638844    		 1 C11 H18 O7 InChI=1S/C11H18O7/c1-2-3-
    17-11(6-13)4-7(14)9(16)10
    (18-11)8(15)5-12/h2,6-10,
    12,14-16H,1,3-5H2/t7-,8-,
    9-,10-,11-/m1/s1;
    FRBOGERKQAMFNA-ISUQUUIWSA-N    		 C=CCOC1(CC(C(C(O1)C(CO)O)O)O)C=O; C=CCO[
    C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)
    O)O)C=O; OC[C@@H](O)[C@H]1O[C@@](C[C@@H]
    (O)[C@H]1O)(OCC=C)C=O; OC[CH](O)[CH]1O[C
    ](C[CH](O)[CH]1O)(OCC=C)C=O; O=CC1(OC\C=
    C)OC(C(O)CO)C(O)C(O)C1    		 prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-ulopyranoside;
    prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-uloside;
    prop-2-en-1-yl 3-deoxy-D-manno-octos-2-uloside;
    prop-2-en-1-yl 3-deoxy-manno-octos-2-uloside
    25957 KDS 1 C23 H22 F3 N3 O2 InChI=1S/C23H22F3N3O2/c24
    -23(25,26)31-20-7-5-19(6-
    8-20)28-22(30)29-11-9-16(
    10-12-29)13-17-14-18-3-1-
    2-4-21(18)27-15-17/h1-8,1
    4-16H,9-13H2,(H,28,30);
    QEMFEXNNXOLBRG-UHFFFAOYSA-N    		 c4c(ccc(NC(=O)N1CCC(CC1)Cc3cnc2ccccc2c3)
    c4)OC(F)(F)F; FC(F)(F)Oc1ccc(NC(=O)N2CCC
    (CC2)Cc3cnc4ccccc4c3)cc1; c1ccc2c(c1)cc(
    cn2)CC3CCN(CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F    		 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
    25958 KDT
    CHEMBL5083327
    ZINC000584905570    		 4 C18 H17 Br N4 O4 S InChI=1S/C18H17BrN4O4S/c1
    -22(28(26,27)14-5-3-2-4-6
    -14)15-16(20)23(18(25)21-
    17(15)24)11-12-7-9-13(19)
    10-8-12/h2-10H,11,20H2,1H
    3,(H,21,24,25);
    RDCMEUYEJBCNFG-UHFFFAOYSA-N    		 CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)N)S(=
    O)(=O)c3ccccc3; CN(C1=C(N)N(Cc2ccc(Br)cc
    2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3    		 N-(6-AMINO-1-(4-BROMOBENZYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYLBENZENESULFONAMIDE
    25959 KDV
    CHEMBL4524183
    ZINC000000388450    		 2 C10 H6 N2 InChI=1S/C10H6N2/c11-6-8-
    5-9-3-1-2-4-10(9)12-7-8/h
    1-5,7H;
    QZZYYBQGTSGDPP-UHFFFAOYSA-N    		 C(c2cnc1ccccc1c2)#N; N#Cc1cnc2ccccc2c1;
    c1ccc2c(c1)cc(cn2)C#N    		 quinoline-3-carbonitrile
    25960 KDW
    CHEMBL4575618    		 2 C54 H58 N8 O6 InChI=1S/C54H58N8O6/c1-35
    -17-47(29-57-13-15-61-39(
    5)63)53(65-31-43-19-41(23
    -55)25-59-27-43)21-51(35)
    67-33-45-9-7-11-49(37(45)
    3)50-12-8-10-46(38(50)4)3
    4-68-52-22-54(66-32-44-20
    -42(24-56)26-60-28-44)48(
    18-36(52)2)30-58-14-16-62
    -40(6)64/h7-12,17-22,25-2
    8,57-58H,13-16,29-34H2,1-
    6H3,(H,61,63)(H,62,64);
    RNCINFJGGSQEHN-UHFFFAOYSA-N    		 Cc1cc(c(cc1OCc2cccc(c2C)c3cccc(c3C)COc4c
    c(c(cc4C)CNCCNC(=O)C)OCc5cc(cnc5)C#N)OCc
    6cc(cnc6)C#N)CNCCNC(=O)C; CC(=O)NCCNCc1c
    c(C)c(OCc2cccc(c2C)c3cccc(COc4cc(OCc5cnc
    c(c5)C#N)c(CNCCNC(C)=O)cc4C)c3C)cc1OCc6c
    ncc(c6)C#N    		 ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide
    25961 KDX
    CHEMBL1592850
    ZINC000017198487    		 3 C11 H9 N3 O2 InChI=1S/C11H9N3O2/c1-16-
    7-4-2-3-6-8(7)9-10(14-6)1
    1(15)13-5-12-9/h2-5,14H,1
    H3,(H,12,13,15);
    LQIHYZDCTRTCLG-UHFFFAOYSA-N    		 COc1cccc2[nH]c3C(=O)NC=Nc3c12; COc1cccc2
    c1c3c([nH]2)C(=O)NC=N3; COc1cccc2[NH]c3c
    (N=CNC3=O)c21    		 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
    25962 KDY
    ZINC000011919695    		 2 C10 H12 N2 InChI=1S/C10H12N2/c11-6-4
    -8-2-1-3-10-9(8)5-7-12-10
    /h1-3,5,7,12H,4,6,11H2;
    XBARKDQKGSJDLG-UHFFFAOYSA-N    		 c1cc(c2cc[nH]c2c1)CCN; NCCc1cccc2[nH]ccc
    12; C(Cc2c1ccnc1ccc2)N    		 2-(1H-indol-4-yl)ethan-1-amine
    25963 KDZ 2 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-/m0/s1;
    NCOFNSDHLWCKKT-AWEZNQCLSA-N    		 [B-]1(C(Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(
    O)O; [B-]1([C@H](Cc2cccc(c2O1)C(=O)O)SCc
    3ccccc3)(O)O; OC(=O)c1cccc2C[CH](SCc3ccc
    cc3)[B-](O)(O)Oc12; OC(=O)c1cccc2C[C@H](
    SCc3ccccc3)[B-](O)(O)Oc12    		 (3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
    25964 KE0
    ZINC000034325817    		 2 C9 H11 Cl2 N InChI=1S/C9H11Cl2N/c10-8-
    4-7(2-1-3-12)5-9(11)6-8/h
    4-6H,1-3,12H2;
    AQZQHHAQSFFDCW-UHFFFAOYSA-N    		 NCCCc1cc(Cl)cc(Cl)c1; c1c(cc(cc1Cl)Cl)CC
    CN    		 3-[3,5-bis(chloranyl)phenyl]propan-1-amine
    25965 KE1 4 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-PCEBWVJKSA-N    		 CC1C(NC(=C1SC2CC(NC2)C(=O)N(C)C)C(=O)O)C
    (C=O)C(C)O; C[C@@H](O)[C@@H](C=O)[C@@H]1
    NC(=C(S[C@H]2CN[C@H](C2)C(=O)N(C)C)[C@@H
    ]1C)C(O)=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]1[C@@H](NC(=C1S[C@@H]2C[C@@H](N
    C2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)
    O; C1(C)C(=C(NC1C(C=O)C(C)O)C(O)=O)SC2CN
    C(C2)C(N(C)C)=O    		 meropenem, bound form;
    (4R,5S)-3-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid
    25966 KE2
    CHEMBL4475712    		 1 C19 H20 N2 O4 InChI=1S/C19H20N2O4/c1-11
    -8-13(4-7-17(11)23)10-16-
    19(25)20-15(18(24)21-16)9
    -12-2-5-14(22)6-3-12/h2-8
    ,15-16,22-23H,9-10H2,1H3,
    (H,20,25)(H,21,24)/t15-,1
    6-/m0/s1;
    YBIHVNADQSTKMY-HOTGVXAUSA-N    		 Cc1cc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)N
    C2=O)ccc1O; Cc1cc(ccc1O)CC2C(=O)NC(C(=O)
    N2)Cc3ccc(cc3)O; Cc1cc(ccc1O)C[C@H]2C(=O
    )N[C@H](C(=O)N2)Cc3ccc(cc3)O; Cc1cc(C[CH
    ]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)ccc1O    		 (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
    25967 KE4
    ZINC000038792054    		 1 C13 H22 N3 O7 P InChI=1S/C13H22N3O7P/c1-8
    -13(19)11(6-16-10(4-14)2-
    3-12(17)18)9(5-15-8)7-23-
    24(20,21)22/h5,10,16,19H,
    2-4,6-7,14H2,1H3,(H,17,18
    )(H2,20,21,22)/t10-/m1/s1;
    WQZRTAINNZJAQI-SNVBAGLBSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)CN
    )O; Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CN)CCC
    (O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(CN[C@@
    H](CN)CCC(O)=O)c1O; O=C(O)CCC(NCc1c(cnc(
    c1O)C)COP(=O)(O)O)CN    		 (4R)-5-AMINO-4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]PENTANOIC ACID
    25968 KE5
    CHEMBL4457675    		 1 C19 H20 N2 O4 InChI=1S/C19H20N2O4/c1-11
    -8-15(23)7-4-13(11)10-17-
    19(25)20-16(18(24)21-17)9
    -12-2-5-14(22)6-3-12/h2-8
    ,16-17,22-23H,9-10H2,1H3,
    (H,20,25)(H,21,24)/t16-,1
    7-/m0/s1;
    OLLRPTQZHVLIEA-IRXDYDNUSA-N    		 Cc1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3
    ccc(cc3)O)O; Cc1cc(ccc1CC2C(=O)NC(C(=O)N
    2)Cc3ccc(cc3)O)O; Cc1cc(O)ccc1C[C@@H]2NC
    (=O)[C@H](Cc3ccc(O)cc3)NC2=O; Cc1cc(O)cc
    c1C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O    		 (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
    25969 KE6 4 C17 H19 N7 O InChI=1S/C17H19N7O/c1-11(
    2)24-7-6-15(23-24)22-17(2
    5)16-14(5-4-12(3)20-16)21
    -13-8-18-10-19-9-13/h4-11
    ,21H,1-3H3,(H,22,23,25);
    STOYVUDXBUTBHU-UHFFFAOYSA-N    		 CC(C)n1ccc(NC(=O)c2nc(C)ccc2Nc3cncnc3)n1
    ; CC(C)n1ccc(NC(=O)c2nc(C)ccc2Nc2cncnc2)
    n1; Cc1ccc(c(n1)C(=O)Nc2ccn(n2)C(C)C)Nc3
    cncnc3    		 6-methyl-N-[1-(propan-2-yl)-1H-pyrazol-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
    25970 KE7
    CHEMBL4546504    		 1 C25 H29 Cl F3 N5 O4 InChI=1S/C25H29ClF3N5O4/c
    1-13(25(27,28)29)37-18-11
    -14(22(35)34(3)4)5-6-17(1
    8)31-23-32-20-19(16(26)12
    -30-20)21(33-23)38-15-7-9
    -24(2,36)10-8-15/h5-6,11-
    13,15,36H,7-10H2,1-4H3,(H
    2,30,31,32,33)/t13-,15-,2
    4+/m1/s1;
    IUWWRSQCDUQDEZ-CAQPCFEESA-N    		 C[C@H](C(F)(F)F)Oc1cc(ccc1Nc2nc3c(c(c[nH
    ]3)Cl)c(n2)OC4CCC(CC4)(C)O)C(=O)N(C)C; C
    [C@@H](Oc1cc(ccc1Nc2nc3[nH]cc(Cl)c3c(O[C
    @@H]4CC[C@](C)(O)CC4)n2)C(=O)N(C)C)C(F)(
    F)F; c2(nc(OC1CCC(C)(CC1)O)c3c(n2)ncc3Cl
    )Nc4c(cc(cc4)C(N(C)C)=O)OC(C(F)(F)F)C; C
    [CH](Oc1cc(ccc1Nc2nc3[nH]cc(Cl)c3c(O[CH]
    4CC[C](C)(O)CC4)n2)C(=O)N(C)C)C(F)(F)F;
    CC(C(F)(F)F)Oc1cc(ccc1Nc2nc3c(c(c[nH]3)C
    l)c(n2)OC4CCC(CC4)(C)O)C(=O)N(C)C    		 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide
    25971 KE8
    CHEMBL4650285    		 1 C22 H27 N7 O2 S InChI=1S/C22H27N7O2S/c1-2
    2(2)19-15(20(30)29(22)9-8
    -28-10-12-31-13-11-28)14-
    17(32-19)16-4-6-23-21(25-
    16)26-18-5-7-24-27(18)3/h
    4-7,14H,8-13H2,1-3H3,(H,2
    3,25,26);
    JNPRPMBJODOFEC-UHFFFAOYSA-N    		 Cn1nccc1Nc2nccc(n2)c3sc4c(c3)C(=O)N(CCN5
    CCOCC5)C4(C)C; CC1(c2c(cc(s2)c3ccnc(n3)N
    c4ccnn4C)C(=O)N1CCN5CCOCC5)C    		 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
    25972 KE9
    CHEMBL3623004
    DB15138
    ZINC000219669733    		 1 C25 H25 F3 N2 O2 InChI=1S/C25H25F3N2O2/c1-
    14-10-17-16-6-4-5-7-20(16
    )29-23(17)24(30(14)13-25(
    2,3)28)22-18(26)11-15(12-
    19(22)27)8-9-21(31)32/h4-
    9,11-12,14,24,29H,10,13H2
    ,1-3H3,(H,31,32)/b9-8+/t1
    4-,24-/m1/s1;
    DFBDRVGWBHBJNR-BBNFHIFMSA-N    		 C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C
    )F)c4c(cc(cc4F)/C=C/C(=O)O)F; C[C@@H]1Cc
    2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c4c(F
    )cc(\C=C\C(O)=O)cc4F; CC1Cc2c3ccccc3[nH]
    c2C(N1CC(C)(C)F)c4c(cc(cc4F)C=CC(=O)O)F;
    C[CH]1Cc2c([nH]c3ccccc23)[CH](N1CC(C)(C
    )F)c4c(F)cc(C=CC(O)=O)cc4F    		 (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID
    25973 KEA 2 C9 H13 N6 O7 P InChI=1S/C9H13N6O7P/c10-5
    -1-2-15(9(17)12-5)8-6(13-
    14-11)7(16)4(22-8)3-21-23
    (18,19)20/h1-2,4,6-8,16H,
    3H2,(H2,10,12,17)(H2,18,1
    9,20)/t4-,6-,7-,8-/m1/s1;
    GXKFYGVDGIPSIP-XVFCMESISA-N    		 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)
    O)N=[N+]=[N-]; NC1=NC(=O)N(C=C1)[CH]2O[C
    H](CO[P](O)(O)=O)[CH](O)[CH]2N=[N+]=[N-]
    ; C2(O)C(C(N1C=CC(N)=NC1=O)OC2COP(=O)(O)
    O)N=[N+]=[N-]; NC1=NC(=O)N(C=C1)[C@@H]2O
    [C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2N=[N+
    ]=[N-]; C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C
    @@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=[N-]    		 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate);
    2'-azidocytidine monophosphate
    25974 KEB
    CHEMBL4449188    		 1 C20 H22 N2 O4 InChI=1S/C20H22N2O4/c1-11
    -7-14(8-12(2)18(11)24)10-
    17-20(26)21-16(19(25)22-1
    7)9-13-3-5-15(23)6-4-13/h
    3-8,16-17,23-24H,9-10H2,1
    -2H3,(H,21,26)(H,22,25)/t
    16-,17-/m0/s1;
    UCEYENNEMBTPOB-IRXDYDNUSA-N    		 Cc1cc(cc(c1O)C)C[C@H]2C(=O)N[C@H](C(=O)N
    2)Cc3ccc(cc3)O; Cc1cc(C[C@@H]2NC(=O)[C@H
    ](Cc3ccc(O)cc3)NC2=O)cc(C)c1O; Cc1cc(C[C
    H]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)cc(C)c1
    O; Cc1cc(cc(c1O)C)CC2C(=O)NC(C(=O)N2)Cc3
    ccc(cc3)O    		 (3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
    25975 KEC
    CHEMBL5180335    		 1 C10 H6 Br Cl N2 InChI=1S/C10H6BrClN2/c11-
    8-3-7-6(1-2-13)5-14-10(7)
    4-9(8)12/h3-5,14H,1H2;
    FDOAIDRNPWUQBB-UHFFFAOYSA-N    		 Clc1cc2[nH]cc(CC#N)c2cc1Br; c1c2c(cc(c1B
    r)Cl)[nH]cc2CC#N    		 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile
    25976 KED
    CHEMBL4553552
    ZINC000621485759    		 1 C10 H10 N O4 P InChI=1S/C10H10NO4P/c12-1
    0-5-7(6-16(13,14)15)8-3-1
    -2-4-9(8)11-10/h1-5H,6H2,
    (H,11,12)(H2,13,14,15);
    KAIABXRDJQYKQE-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O; O[P](
    O)(=O)CC1=CC(=O)Nc2ccccc12; C2(=O)C=C(CP
    (=O)(O)O)c1ccccc1N2    		 [(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
    25977 KEE
    CHEMBL3110021
    ZINC000095920825    		 4 C19 H16 N2 O3 InChI=1S/C19H16N2O3/c22-1
    9(21-23)18-16(13-4-2-1-3-
    5-13)17(18)14-8-6-12(7-9-
    14)15-10-20-11-24-15/h1-1
    1,16-18,23H,(H,21,22)/t16
    -,17-,18-/m1/s1;
    PYWCXCBMYMFPTR-KZNAEPCWSA-N    		 ONC(=O)[CH]1[CH]([CH]1c2ccc(cc2)c3ocnc3)
    c4ccccc4; c1ccc(cc1)[C@@H]2[C@H]([C@@H]2
    C(=O)NO)c3ccc(cc3)c4cnco4; ONC(=O)[C@@H]
    1[C@@H]([C@H]1c2ccc(cc2)c3ocnc3)c4ccccc4
    ; O=C(NO)C4C(c1ccccc1)C4c3ccc(c2ocnc2)cc
    3; c1ccc(cc1)C2C(C2C(=O)NO)c3ccc(cc3)c4c
    nco4    		 (1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
    25978 KEF
    ZINC000058638845    		 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/h2-4,6,10-11,14H,
    5H2,1H3,(H2,17,25)(H,18,2
    1)(H,23,24)/b19-9-/t10-,1
    1-,14-/m1/s1;
    AIEMBSSBMKFDGU-HPUGUEDKSA-N    		 O=C2N1C(C(=CSC1C2NC(=O)C(=N\OC)/c3occc3)
    COC(=O)N)C(=O)O; CON=C(c1ccco1)C(=O)NC2C
    3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O; CON=C(
    C(=O)N[CH]1[CH]2SC=C(COC(N)=O)[CH](N2C1=
    O)C(O)=O)c3occc3; CON=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]2SC=C(COC(N)
    =O)[C@@H](N2C1=O)C(O)=O)\c3occc3    		 CEFUROXIME (OCT-3-ENE FORM);
    (6R,7R)-3-CARBAMOYLOXYMETHYL-7-[2-(2-FURYL)-2-(METHOXYIMINO)ACETAMIDO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-3-ENE-2-CARB OXYLIC ACID;
    (6R,7R)-3-CARBAMOYLOXYMETHYL-7-[2-(2-FURYL)-2-(METHOXYIMINO)ACETAMIDO] CEPH-3-EM-4-CARBOXYLIC ACID
    25979 KEG 13 O40 P W12 InChI=1S/HO4P.36O.12W/c1-
    5(2,3)4;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;/h5H;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;
    WLQKSSFZMDTTCM-UHFFFAOYSA-N    		 O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%1
    2%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)
    (O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(
    O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O
    6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[
    W]1(=O)(O6)(O5)O%12; O=[W]1234O[W]567(=O
    )O[W]89(=O)(O1)O[W]%10%11%12(=O)O[W]%13%
    14(=O)(O2)O[W]%15%16(=O)(O3)O[W]%17%18(=
    O)(O5)O[W]%19%20(=O)(O6)O[W]%21(=O)(O8)(
    O%10)O[W]%22%23(=O)(O%19)O[W]%24(=O)(O%1
    5)(O%17)O[W](=O)(O%13)(O%11)(O%22)[O]%12
    %14[P]([O]479)([O]%16%18%24)[O]%20%21%23    		 12-TUNGSTOPHOSPHATE
    25980 KEH
    CHEMBL4471315    		 1 C18 H17 I N2 O4 InChI=1S/C18H17IN2O4/c19-
    13-7-11(3-6-16(13)23)9-15
    -18(25)20-14(17(24)21-15)
    8-10-1-4-12(22)5-2-10/h1-
    7,14-15,22-23H,8-9H2,(H,2
    0,25)(H,21,24)/t14-,15-/m
    0/s1;
    NQIPTQNZLHTHOS-GJZGRUSLSA-N    		 c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3c
    cc(c(c3)I)O)O; c1cc(ccc1CC2C(=O)NC(C(=O)
    N2)Cc3ccc(c(c3)I)O)O; Oc1ccc(C[CH]2NC(=O
    )[CH](Cc3ccc(O)c(I)c3)NC2=O)cc1; Oc1ccc(
    C[C@@H]2NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=
    O)cc1    		 (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
    25981 KEJ
    CHEMBL2178801
    ZINC000095574031    		 2 C18 H15 Cl N6 O2 InChI=1S/C18H15ClN6O2/c1-
    24-10-14(16(23-24)12-8-11
    (19)4-5-15(12)27-2)22-18(
    26)13-9-21-25-7-3-6-20-17
    (13)25/h3-10H,1-2H3,(H,22
    ,26);
    PBBLZBUJHLNSRL-UHFFFAOYSA-N    		 Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cnn4c3
    nccc4; c1(cc(Cl)ccc1OC)c4nn(cc4NC(=O)c3c
    2ncccn2nc3)C; COc1ccc(Cl)cc1c2nn(C)cc2NC
    (=O)c3cnn4cccnc34    		 N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
    25982 KEK 1 C15 H14 Cl O4 InChI=1S/C15H15ClO4/c1-10
    (6-8-14(18)15(19)20)13(17
    )9-7-11-4-2-3-5-12(11)16/
    h2-6,8,10H,7,9H2,1H3,(H,1
    9,20)/p-1/b8-6+/t10-/m1/s
    1;
    OXPYJYFFTOKNRF-QEHWCHDUSA-M    		 CC(C=CC(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl;
    C[CH](C=CC(=O)C([O-])=O)C(=O)CCc1ccccc1C
    l; C[C@H](\C=C\C(=O)C([O-])=O)C(=O)CCc1c
    cccc1Cl; Clc1ccccc1CCC(=O)C(\C=C\C(=O)C(
    [O-])=O)C; C[C@H](\C=C\C(=O)C(=O)[O-])C(
    =O)CCc1ccccc1Cl    		 (3E,5R)-8-(2-CHLOROPHENYL)-5-METHYL-2,6-DIOXOOCT-3-ENOATE
    25983 KEL
    CHEMBL85320
    DB08040
    ZINC000006020153    		 1 C14 H18 N2 O5 InChI=1S/C14H18N2O5/c1-9(
    14(19)20)15-13(18)11(8-12
    (17)16-21)7-10-5-3-2-4-6-
    10/h2-6,9,11,21H,7-8H2,1H
    3,(H,15,18)(H,16,17)(H,19
    ,20)/t9-,11+/m0/s1;
    OJCFZTVYDSKXNM-GXSJLCMTSA-N    		 C[CH](NC(=O)[CH](CC(=O)NO)Cc1ccccc1)C(O)
    =O; O=C(O)C(NC(=O)C(Cc1ccccc1)CC(=O)NO)C
    ; C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1
    )C(O)=O; C[C@@H](C(=O)O)NC(=O)[C@H](Cc1c
    cccc1)CC(=O)NO; CC(C(=O)O)NC(=O)C(Cc1ccc
    cc1)CC(=O)NO    		 N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine
    25984 KEM 1 C19 H25 O6 InChI=1S/C19H26O6/c1-11(3
    -6-16(22)18(24)25)14(20)7
    -4-12-13-5-8-17(23)19(13,
    2)10-9-15(12)21/h3,6,11-1
    3,17,23H,4-5,7-10H2,1-2H3
    ,(H,24,25)/p-1/b6-3+/t11-
    ,12-,13-,17+,19+/m1/s1;
    PAPYZGVUTPWUFW-WDRCEGBMSA-M    		 C[C@H](\C=C\C(=O)C([O-])=O)C(=O)CC[C@@H]
    1[C@H]2CC[C@H](O)[C@@]2(C)CCC1=O; C[C@H]
    (\C=C\C(=O)C(=O)[O-])C(=O)CC[C@@H]1[C@H]
    2CC[C@@H]([C@]2(CCC1=O)C)O; C[CH](C=CC(=
    O)C([O-])=O)C(=O)CC[CH]1[CH]2CC[CH](O)[C
    ]2(C)CCC1=O; CC(C=CC(=O)C(=O)[O-])C(=O)C
    CC1C2CCC(C2(CCC1=O)C)O; [O-]C(=O)C(=O)\C
    =C\C(C(=O)CCC1C(=O)CCC2(C1CCC2O)C)C    		 (3E,5R)-8-[(1S,3AR,4R,7AS)-1-HYDROXY-7A-METHYL-5-OXOOCTAHYDRO-1H-INDEN-4-YL]-5-METHYL-2,6-DIOXOOCT-3-ENOATE
    25985 KEN
    CHEMBL439723
    ZINC000008216125    		 0 C3 H9 N InChI=1S/C3H9N/c1-4(2)3/h
    1-3H3;
    GETQZCLCWQTVFV-UHFFFAOYSA-N    		 CN(C)C N,N-dimethylmethanamine
    25986 KEO 0 C12 H26 N4 O4 InChI=1S/C12H26N4O4/c13-4
    -1-2-8(14)6-11(18)16-5-3-
    9(17)7-10(15)12(19)20/h8-
    10,17H,1-7,13-15H2,(H,16,
    18)(H,19,20)/t8-,9-,10-/m
    0/s1;
    PVEXBIJTZBFREJ-GUBZILKMSA-N    		 NCCC[CH](N)CC(=O)NCC[CH](O)C[CH](N)C(O)=
    O; C(CC(CC(=O)NCCC(CC(C(=O)O)N)O)N)CN; N
    CCC[C@H](N)CC(=O)NCC[C@H](O)C[C@H](N)C(O
    )=O; C(C[C@@H](CC(=O)NCC[C@@H](C[C@@H](C
    (=O)O)N)O)N)CN    		 e(R)-beta-lysyl-hydroxylysine
    25987 KEP
    CHEMBL4777342    		 1 C18 H13 Cl F2 N6 O2 InChI=1S/C18H13ClF2N6O2/c
    1-26-9-13(24-17(28)12-8-2
    3-27-6-2-5-22-16(12)27)15
    (25-26)11-7-10(19)3-4-14(
    11)29-18(20)21/h2-9,18H,1
    H3,(H,24,28);
    CJXPNZXEEPSZHK-UHFFFAOYSA-N    		 Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)c4cc(Cl)c
    cc4OC(F)F; c1(cc(Cl)ccc1OC(F)F)c4nn(cc4N
    C(=O)c3c2ncccn2nc3)C; Cn1cc(c(n1)c2cc(cc
    c2OC(F)F)Cl)NC(=O)c3cnn4c3nccc4    		 N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
    25988 KEQ
    CHEMBL4447064    		 2 C19 H20 N2 O4 InChI=1S/C19H20N2O4/c1-25
    -15-8-4-13(5-9-15)11-17-1
    9(24)20-16(18(23)21-17)10
    -12-2-6-14(22)7-3-12/h2-9
    ,16-17,22H,10-11H2,1H3,(H
    ,20,24)(H,21,23)/t16-,17-
    /m0/s1;
    SXIBGFQFSYRUSU-IRXDYDNUSA-N    		 COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3
    )NC2=O)cc1; COc1ccc(cc1)CC2C(=O)NC(C(=O)
    N2)Cc3ccc(cc3)O; COc1ccc(cc1)C[C@H]2C(=O
    )N[C@H](C(=O)N2)Cc3ccc(cc3)O; COc1ccc(C[
    CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)cc1    		 (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
    25989 KER 4 C20 H11 F5 N4 O2 InChI=1S/C20H11F5N4O2/c21
    -12-4-5-15(22)17(10-12)29
    -16(6-8-26-29)19-18(30)7-
    9-28(27-19)13-2-1-3-14(11
    -13)31-20(23,24)25/h1-11H;
    SXGHQUMVHHJJIH-UHFFFAOYSA-N    		 c1cc(cc(c1)OC(F)(F)F)N2C=CC(=O)C(=N2)c3c
    cnn3c4cc(ccc4F)F; Fc1ccc(F)c(c1)n2nccc2C
    3=NN(C=CC3=O)c4cccc(OC(F)(F)F)c4; FC(F)(
    F)Oc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cc
    (F)ccc1F    		 3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
    25990 KES
    CHEMBL4744172    		 1 C17 H11 Cl F2 N6 O2 InChI=1S/C17H11ClF2N6O2/c
    18-9-2-3-13(28-17(19)20)1
    0(6-9)14-12(8-22-25-14)24
    -16(27)11-7-23-26-5-1-4-2
    1-15(11)26/h1-8,17H,(H,22
    ,25)(H,24,27);
    KHCFKCPXXJQHMH-UHFFFAOYSA-N    		 c1cnc2c(cnn2c1)C(=O)Nc3cn[nH]c3c4cc(ccc4
    OC(F)F)Cl; c2nn1cccnc1c2C(=O)Nc3cnnc3c4c
    c(ccc4OC(F)F)Cl; FC(F)Oc1ccc(Cl)cc1c2[nH
    ]ncc2NC(=O)c3cnn4cccnc34    		 N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
    25991 KET 5 C12 H16 N2 O9 P InChI=1S/C12H15N2O9P/c1-6
    -11(17)8(4-14-9(12(18)19)
    2-10(15)16)7(3-13-6)5-23-
    24(20,21)22/h3-4,9,17H,2,
    5H2,1H3,(H,15,16)(H,18,19
    )(H2,20,21,22)/p+1/b14-4+
    /t9-/m0/s1;
    OEULMZWKJBFRJF-LPQZUGQSSA-O    		 Cc1[nH+]cc(CO[P](O)(O)=O)c(C=N[C@@H](CC(
    O)=O)C(O)=O)c1O; Cc1c(c(c(c[nH+]1)COP(=O
    )(O)O)C=NC(CC(=O)O)C(=O)O)O; Cc1[nH+]cc(
    CO[P](O)(O)=O)c(C=N[CH](CC(O)=O)C(O)=O)c
    1O; O=C(O)CC(/N=C/c1c(c[nH+]c(c1O)C)COP(
    =O)(O)O)C(=O)O    		 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID;
    PYRIDOXYLIDENE-ASPARTIC ACID-5-MONOPHOSPHATE
    25992 KEU
    DB03546    		 10 C22 H30 F3 N5 O8 InChI=1S/C22H30F3N5O8/c23
    -22(24,25)21(37,38)13(3-1
    -2-12-16(26)29-20(27)30-1
    8(12)34)10-4-6-11(7-5-10)
    17(33)28-14(19(35)36)8-9-
    15(31)32/h4-7,12-14,16,20
    ,29,37-38H,1-3,8-9,26-27H
    2,(H,28,33)(H,30,34)(H,31
    ,32)(H,35,36)/t12?,13-,14
    +,16+,20-/m1/s1;
    KOLDLUFBEMUZIM-YNPGLMGXSA-N    		 N[CH]1N[CH](N)[CH](CCC[CH](c2ccc(cc2)C(=
    O)N[CH](CCC(O)=O)C(O)=O)C(O)(O)C(F)(F)F)
    C(=O)N1; O=C1NC(N)NC(N)C1CCCC(c2ccc(C(=O
    )NC(C(=O)O)CCC(=O)O)cc2)C(O)(O)C(F)(F)F;
    c1cc(ccc1C(CCCC2C(NC(NC2=O)N)N)C(C(F)(F
    )F)(O)O)C(=O)NC(CCC(=O)O)C(=O)O; c1cc(cc
    c1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)
    (O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O; N[C@@
    H]1N[C@H](N)[C@H](CCC[C@H](c2ccc(cc2)C(=
    O)N[C@@H](CCC(O)=O)C(O)=O)C(O)(O)C(F)(F)
    F)C(=O)N1    		 N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID;
    10-CF3C(OH)2-DDACTHF;
    HYDROLYZED FORM OF 10-TRIFLUOROACETYL-5,10-DIDEAZA-ACYCLIC-5,6,7,8-TETRAHYDROFOLIC ACID
    25993 KEV
    CHEMBL4781423    		 2 C19 H17 Cl N6 O2 InChI=1S/C19H17ClN6O2/c1-
    25-9-11-7-21-8-14(17(11)2
    3-25)19(27)22-15-10-26(2)
    24-18(15)13-6-12(20)4-5-1
    6(13)28-3/h4-10H,1-3H3,(H
    ,22,27);
    FCWWZBZYMGWKGY-UHFFFAOYSA-N    		 COc1ccc(Cl)cc1c2nn(C)cc2NC(=O)c3cncc4cn(
    C)nc34; Cn1cc2cncc(c2n1)C(=O)Nc3cn(nc3c4
    cc(ccc4OC)Cl)C; c4c(C(=O)Nc2cn(nc2c1cc(c
    cc1OC)Cl)C)c3nn(cc3cn4)C    		 N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
    25994 KEW
    CHEMBL4545848    		 1 C18 H17 Cl N2 O4 InChI=1S/C18H17ClN2O4/c19
    -13-7-11(3-6-16(13)23)9-1
    5-18(25)20-14(17(24)21-15
    )8-10-1-4-12(22)5-2-10/h1
    -7,14-15,22-23H,8-9H2,(H,
    20,25)(H,21,24)/t14-,15-/
    m0/s1;
    DPXFBAHRLYLKSZ-GJZGRUSLSA-N    		 Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(Cl)c3
    )NC2=O)cc1; c1cc(ccc1C[C@H]2C(=O)N[C@H](
    C(=O)N2)Cc3ccc(c(c3)Cl)O)O; Oc1ccc(C[C@@
    H]2NC(=O)[C@H](Cc3ccc(O)c(Cl)c3)NC2=O)cc
    1; c1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc(c(
    c3)Cl)O)O    		 (3~{S},6~{S})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
    25995 KEX 2 C10 H7 Br Cl N5 InChI=1S/C10H7BrClN5/c11-
    7-2-6-5(1-10-14-16-17-15-
    10)4-13-9(6)3-8(7)12/h2-4
    ,13H,1H2,(H,14,15,16,17);
    HTQRKTDCAPEPRW-UHFFFAOYSA-N    		 c1c2c(cc(c1Br)Cl)[nH]cc2Cc3[nH]nnn3; Clc
    1cc2[nH]cc(Cc3[nH]nnn3)c2cc1Br    		 5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole
    25996 KEY
    CHEMBL4788474    		 1 C18 H15 Cl N6 O2 InChI=1S/C18H15ClN6O2/c1-
    25-9-14(17(24-25)12-5-11(
    19)3-4-15(12)27-2)22-18(2
    6)13-8-20-6-10-7-21-23-16
    (10)13/h3-9H,1-2H3,(H,21,
    23)(H,22,26);
    NBFASNUBTMTAFQ-UHFFFAOYSA-N    		 c4(c3nn(cc3NC(=O)c1cncc2c1nnc2)C)cc(Cl)c
    cc4OC; Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c
    3cncc4c3[nH]nc4; COc1ccc(Cl)cc1c2nn(C)cc
    2NC(=O)c3cncc4cn[nH]c34    		 N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide
    25997 KEZ 1 C20 H18 N2 O4 InChI=1S/C20H18N2O4/c1-2-
    14-9-13(5-8-18(14)24)11-1
    7-20(26)21-16(19(25)22-17
    )10-12-3-6-15(23)7-4-12/h
    1,3-9,16-17,23-24H,10-11H
    2,(H,21,26)(H,22,25)/t16-
    ,17-/m0/s1;
    LIUSUWHATTTWPP-IRXDYDNUSA-N    		 C#Cc1cc(ccc1O)CC2C(=O)NC(C(=O)N2)Cc3ccc(
    cc3)O; Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)
    c(c3)C#C)NC2=O)cc1; C#Cc1cc(ccc1O)C[C@H]
    2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O; Oc1cc
    c(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)c(c3)C#C)
    NC2=O)cc1    		 3-acetylene dicyclotyrosine
    25998 KF1
    CHEMBL4742382    		 2 C21 H16 N6 O2 InChI=1S/C21H16N6O2/c1-29
    -18-10-14-6-3-2-5-13(14)9
    -15(18)19-17(12-23-26-19)
    25-21(28)16-11-24-27-8-4-
    7-22-20(16)27/h2-12H,1H3,
    (H,23,26)(H,25,28);
    LGRPDWKAHUIEOE-UHFFFAOYSA-N    		 COc1cc2ccccc2cc1c3[nH]ncc3NC(=O)c4cnn5cc
    cnc45; COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O
    )c4cnn5c4nccc5; c4cccc5cc(c1nncc1NC(=O)c
    2c3ncccn3nc2)c(cc45)OC    		 N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
    25999 KF2 0 C16 H26 N O3 P InChI=1S/C16H26NO3P/c1-13
    (2)10-15(11-18)12-21(19,2
    0)16(17)9-8-14-6-4-3-5-7-
    14/h3-7,11,13,15-16H,8-10
    ,12,17H2,1-2H3,(H,19,20)/
    t15-,16+/m0/s1;
    BKGUIDRBICTAMS-JKSUJKDBSA-N    		 CC(C)C[CH](C[P](O)(=O)[CH](N)CCc1ccccc1)
    C=O; CC(C)C[C@H](C[P](O)(=O)[C@@H](N)CCc
    1ccccc1)C=O; CC(C)CC(CP(=O)(C(CCc1ccccc1
    )N)O)C=O; CC(C)C[C@H](CP(=O)([C@H](CCc1c
    cccc1)N)O)C=O    		 [(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid
    26000 KF3 4 C20 H19 F3 N6 O2 InChI=1S/C20H19F3N6O2/c1-
    19(2,3)18-26-10-15(27-13-
    8-24-11-25-9-13)16(29-18)
    17(30)28-12-5-4-6-14(7-12
    )31-20(21,22)23/h4-11,27H
    ,1-3H3,(H,28,30);
    FANWTWSOWRMEEV-UHFFFAOYSA-N    		 CC(C)(C)c1ncc(c(n1)C(=O)Nc2cccc(c2)OC(F)
    (F)F)Nc3cncnc3; CC(C)(C)c1ncc(Nc2cncnc2)
    c(n1)C(=O)Nc3cccc(OC(F)(F)F)c3; CC(C)(C)
    c1nc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(cn1)Nc1
    cncnc1    		 2-tert-butyl-5-[(pyrimidin-5-yl)amino]-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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