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    N O N H N HO H 3 C N H 3 C
    L1K
    Name:~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide
    Formula:C23 H22 N4 O2
    SMILES:CC(C)(O)Cn1c(NC(=O)c2ccnc(c2)c3ccccc3)nc4ccccc14
    InChi:InChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-7-6-10-18(20)25-22(27)26-21(28)17-12-13-24-19(14-17)16-8-4-3-5-9-16/h3-14,29H,15H2,1-2H3,(H,25,26,28)
    Definition date:2019-07-12
    Last modified:2019-11-15
    Release date:2019-11-20
    Identifier:~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide
    O N O N N N H
    L3Z
    Name:8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
    Formula:C24 H22 N4 O2
    SMILES:O=C1Nc2nc3ccccc3n2CCCCCOc4ccccc4c5cc1ccn5
    InChi:InChI=1S/C24H22N4O2/c29-23-17-12-13-25-20(16-17)18-8-2-5-11-22(18)30-15-7-1-6-14-28-21-10-4-3-9-19(21)26-24(28)27-23/h2-5,8-13,16H,1,6-7,14-15H2,(H,26,27,29)
    Definition date:2019-07-19
    Last modified:2019-11-15
    Release date:2019-11-20
    N F N O N O F H 3 C N N N H N H 3 C H 3 C N
    LHZ
    Name:(6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
    Formula:C24 H24 F2 N8 O2
    SMILES:COC[CH]1Cn2cc(nc2C(=O)N1Cc3ccc(F)c(F)c3)c4nc(Nc5ccnn5C)ncc4C
    InChi:InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1
    Synonyms:AZD0364
    Definition date:2019-08-19
    Last modified:2019-11-15
    Release date:2019-11-20
    Identifier:(6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
    O O O NH N N H N N CH 3 CH 3 CH 3 CH 3
    MKP
    Name:3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide
    Formula:C21 H21 N5 O3
    SMILES:c1c(ccc(c1c2cc3c(nc2)N(C(N3)=O)C(C)(C)C)C)C(Nc4ccon4)=O
    InChi:InChI=1S/C21H21N5O3/c1-12-5-6-13(19(27)24-17-7-8-29-25-17)9-15(12)14-10-16-18(22-11-14)26(20(28)23-16)21(2,3)4/h5-11H,1-4H3,(H,23,28)(H,24,25,27)
    Definition date:2019-04-08
    Last modified:2019-11-15
    Release date:2019-11-20
    Identifier:3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide
    CH 2 O _ O N + N
    QCV
    Name:N-(4-nitrophenyl)methanimine
    Formula:C7 H6 N2 O2
    SMILES:C=N\c1ccc(cc1)N(=O)=O
    InChi:InChI=1S/C7H6N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5H,1H2
    Definition date:2019-10-16
    Last modified:2019-11-15
    Release date:2019-11-20
    Identifier:N-(4-nitrophenyl)methanimine
    HN Cl S N
    QFM
    Name:2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole
    Formula:C10 H11 Cl N2 S
    SMILES:C1N=C(NC1)SCc2ccccc2Cl
    InChi:InChI=1S/C10H11ClN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
    Synonyms:2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
    Definition date:2019-10-22
    Last modified:2019-11-15
    Release date:2019-11-20
    Identifier:2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
    N O N H O N N F OH CH 3 CH 3 N O N
    QL7
    Name:N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
    Formula:C24 H27 F N6 O4
    SMILES:C(F)(C(C)(C)O)CN1Cc2c(C1=O)cc(c(c2)NC(=O)c3cnn4c3nccc4)N5CCOCC5
    InChi:InChI=1S/C24H27FN6O4/c1-24(2,34)20(25)14-30-13-15-10-18(19(11-16(15)23(30)33)29-6-8-35-9-7-29)28-22(32)17-12-27-31-5-3-4-26-21(17)31/h3-5,10-12,20,34H,6-9,13-14H2,1-2H3,(H,28,32)/t20-/m1/s1
    Definition date:2019-11-13
    Last modified:2019-11-15
    Release date:2019-11-20
    Identifier:N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
    H 3 C CH 3 H 3 C O O HO OH
    XIA
    Name:(2R,3S)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid
    Formula:C17 H22 O4
    SMILES:CC(C)=CCC[C]1(C)Oc2ccc(cc2C[CH]1O)C(O)=O
    InChi:InChI=1S/C17H22O4/c1-11(2)5-4-8-17(3)15(18)10-13-9-12(16(19)20)6-7-14(13)21-17/h5-7,9,15,18H,4,8,10H2,1-3H3,(H,19,20)/t15-,17+/m0/s1
    Synonyms:xiamenmycin B
    Definition date:2018-11-22
    Last modified:2019-11-15
    Release date:2019-11-20
    Identifier:(2~{R},3~{S})-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid
    N H O O OH
    PCA
    Name:PYROGLUTAMIC ACID
    Formula:C5 H7 N O3
    SMILES:O=C(O)C1NC(=O)CC1
    InChi:InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
    Definition date:1999-07-08
    Last modified:2019-11-14
    Identifier:5-oxo-L-proline
    O NH O HO O OH O NH 2 NH O N N N H HN
    FFO
    Name:N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
    Formula:C20 H23 N7 O7
    SMILES:O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(C=O)C=3C(=O)NC(=NC=3NC2)N)CCC(=O)O
    InChi:InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1
    Synonyms:[6S]-5-FORMYL-TETRAHYDROFOLATE
    Definition date:1999-07-08
    Last modified:2019-11-12
    Identifier:N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
    N H H 2 N O OH N H O HN O HO N O O N HN
    FOZ
    Name:N-[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
    Formula:C20 H23 N7 O7
    SMILES:O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(C=O)C=3C(=O)N=C(NC=3NC2)N)CCC(=O)O
    InChi:InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1
    Definition date:2011-09-12
    Last modified:2019-11-12
    Identifier:N-[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
    HO N H N N N CH 3 N
    GV7
    Name:4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol
    Formula:C12 H11 N5 O
    SMILES:n12c(cc(C)nc1ncn2)Nc3ccc(O)cc3
    InChi:InChI=1S/C12H11N5O/c1-8-6-11(17-12(15-8)13-7-14-17)16-9-2-4-10(18)5-3-9/h2-7,16,18H,1H3
    Definition date:2018-06-01
    Last modified:2019-11-12
    Release date:2019-04-10
    Identifier:4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol
    S O CH 3 N H Cl O N O O O N N CH 3 CH 3
    D8C
    Name:N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide
    Formula:C26 H29 Cl N4 O5 S
    SMILES:CN1CCN(CC1)c2ccc3C4=C(CN(CC4)C(=O)c5ccc(N[S](C)(=O)=O)c(Cl)c5)C(=O)Oc3c2C
    InChi:InChI=1S/C26H29ClN4O5S/c1-16-23(30-12-10-29(2)11-13-30)7-5-19-18-8-9-31(15-20(18)26(33)36-24(16)19)25(32)17-4-6-22(21(27)14-17)28-37(3,34)35/h4-7,14,28H,8-13,15H2,1-3H3
    Definition date:2019-07-17
    Last modified:2019-11-08
    Release date:2019-11-13
    Identifier:~{N}-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1~{H}-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide
    OH H 3 C HO N O HO O OH P O O OH OH O NH NH
    DN9
    Name:(2~{S})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
    Formula:C16 H24 N3 O11 P
    SMILES:Cc1ncc(CO[P](O)(O)=O)c(CNCCNC(=O)C[C](O)(CC(O)=O)C(O)=O)c1O
    InChi:InChI=1S/C16H24N3O11P/c1-9-14(23)11(10(6-19-9)8-30-31(27,28)29)7-17-2-3-18-12(20)4-16(26,15(24)25)5-13(21)22/h6,17,23,26H,2-5,7-8H2,1H3,(H,18,20)(H,21,22)(H,24,25)(H2,27,28,29)/t16-/m0/s1
    Definition date:2019-08-16
    Last modified:2019-11-08
    Release date:2019-11-13
    Identifier:(2~{S})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
    Cl S S O O O NH 2 N H N H O
    EF6
    Name:N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
    Formula:C14 H12 Cl N3 O4 S2
    SMILES:N(S(=O)(c1ccc(cc1)S(N)(=O)=O)=O)c2cccc3c2ncc3Cl
    InChi:InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
    Synonyms:Indisulam
    Definition date:2019-08-05
    Last modified:2019-11-08
    Release date:2019-11-13
    Identifier:N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
    Cl O N H N HN H 3 C N CH 3
    G3J
    Name:1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
    Formula:C21 H21 Cl N4 O
    SMILES:n1nccc1c3cc4C(Nc2c(cccc2)Cl)CC(C)N(C(C)=O)c4cc3
    InChi:InChI=1S/C21H21ClN4O/c1-13-11-20(24-19-6-4-3-5-17(19)22)16-12-15(18-9-10-23-25-18)7-8-21(16)26(13)14(2)27/h3-10,12-13,20,24H,11H2,1-2H3,(H,23,25)/t13-,20+/m0/s1
    Definition date:2018-05-03
    Last modified:2019-11-08
    Release date:2019-11-13
    Identifier:1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
    CH 3 HN N N HN N O H 3 C
    G7V
    Name:4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile
    Formula:C22 H21 N5 O
    SMILES:c1c(nnc1)c4cc3C(Nc2ccc(C#N)cc2)CC(C)N(C(C)=O)c3cc4
    InChi:InChI=1S/C22H21N5O/c1-14-11-21(25-18-6-3-16(13-23)4-7-18)19-12-17(20-9-10-24-26-20)5-8-22(19)27(14)15(2)28/h3-10,12,14,21,25H,11H2,1-2H3,(H,24,26)/t14-,21+/m0/s1
    Definition date:2018-05-14
    Last modified:2019-11-08
    Release date:2019-11-13
    Identifier:4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile
    H 3 C NH O HO OH O
    K8D
    Name:4-(methylamino)benzene-1,2-dicarboxylic acid
    Formula:C9 H9 N O4
    SMILES:c1(cc(NC)ccc1C(O)=O)C(O)=O
    InChi:InChI=1S/C9H9NO4/c1-10-5-2-3-6(8(11)12)7(4-5)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14)
    Definition date:2018-11-08
    Last modified:2019-11-08
    Release date:2019-11-13
    Identifier:4-(methylamino)benzene-1,2-dicarboxylic acid
    + N O OH _ O O O OH
    K8G
    Name:4-nitrobenzene-1,2-dicarboxylic acid
    Formula:C8 H5 N O6
    SMILES:C(O)(c1c(C(O)=O)ccc([N+](=O)[O-])c1)=O
    InChi:InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
    Definition date:2018-11-08
    Last modified:2019-11-08
    Release date:2019-11-13
    Identifier:4-nitrobenzene-1,2-dicarboxylic acid
    F O OH HO O
    K8J
    Name:4-fluorobenzene-1,2-dicarboxylic acid
    Formula:C8 H5 F O4
    SMILES:c1(cc(ccc1C(O)=O)F)C(O)=O
    InChi:InChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
    Definition date:2018-11-08
    Last modified:2019-11-08
    Release date:2019-11-13
    Identifier:4-fluorobenzene-1,2-dicarboxylic acid
    CH 3 O OH HO O
    KAY
    Name:4-methylbenzene-1,2-dicarboxylic acid
    Formula:C9 H8 O4
    SMILES:C(c1cc(C)ccc1C(O)=O)(O)=O
    InChi:InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
    Definition date:2018-11-16
    Last modified:2019-11-08
    Release date:2019-11-13
    Identifier:4-methylbenzene-1,2-dicarboxylic acid
    CH 3 O O HN N N Cl N N
    KB4
    Name:4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
    Formula:C16 H12 Cl N5 O2
    SMILES:n4c1cccnc1c(N2c3c(NC(=O)C2)cc(OC)cc3)nc4Cl
    InChi: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)
    Definition date:2018-11-19
    Last modified:2019-11-08
    Release date:2019-11-13
    Identifier:4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
    CH 3 F F F N O O S H 3 C Cl O N H S
    KHS
    Name:N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
    Formula:C18 H18 Cl F3 N2 O3 S2
    SMILES:Clc1ccccc1SCCNC(=O)C(C)(C)S(=O)(=O)c2ccc(cn2)C(F)(F)F
    InChi:InChI=1S/C18H18ClF3N2O3S2/c1-17(2,16(25)23-9-10-28-14-6-4-3-5-13(14)19)29(26,27)15-8-7-12(11-24-15)18(20,21)22/h3-8,11H,9-10H2,1-2H3,(H,23,25)
    Definition date:2018-12-07
    Last modified:2019-11-08
    Release date:2019-11-13
    Identifier:N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
    P OH O O O HO N
    KS8
    Name:fosinoprilat
    Formula:C23 H34 N O5 P
    SMILES:OC(=O)[CH]1C[CH](CN1C(=O)C[P](O)(=O)CCCCc2ccccc2)C3CCCCC3
    InChi:InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1
    Definition date:2019-06-19
    Last modified:2019-11-08
    Release date:2019-11-13
    Identifier:(2~{S},4~{S})-4-cyclohexyl-1-[2-[oxidanyl(4-phenylbutyl)phosphoryl]ethanoyl]pyrrolidine-2-carboxylic acid
    HO O O HO O HO O NH H 2 N
    KSN
    Name:(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
    Formula:C10 H16 N2 O7
    SMILES:N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O
    InChi:InChI=1S/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1
    Definition date:2019-06-20
    Last modified:2019-11-08
    Release date:2019-11-13
    Identifier:(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid