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    H 2 N N H O O
    LVD
    Name:1-phenylmethoxyurea
    Formula:C8 H10 N2 O2
    SMILES:NC(=O)NOCc1ccccc1
    InChi:InChI=1S/C8H10N2O2/c9-8(11)10-12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
    Definition date:2019-03-15
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:1-phenylmethoxyurea
    NH HN O F N O
    LVP
    Name:~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide
    Formula:C10 H8 F N3 O2
    SMILES:Fc1ccccc1NNC(=O)c2oncc2
    InChi:InChI=1S/C10H8FN3O2/c11-7-3-1-2-4-8(7)13-14-10(15)9-5-6-12-16-9/h1-6,13H,(H,14,15)
    Definition date:2019-03-15
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide
    N H O N
    LWD
    Name:~{N}-quinolin-6-ylbenzamide
    Formula:C16 H12 N2 O
    SMILES:O=C(Nc1ccc2ncccc2c1)c3ccccc3
    InChi:InChI=1S/C16H12N2O/c19-16(12-5-2-1-3-6-12)18-14-8-9-15-13(11-14)7-4-10-17-15/h1-11H,(H,18,19)
    Definition date:2019-03-15
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:~{N}-quinolin-6-ylbenzamide
    N NH 2 O
    LWV
    Name:2-morpholin-4-ylaniline
    Formula:C10 H14 N2 O
    SMILES:Nc1ccccc1N2CCOCC2
    InChi:InChI=1S/C10H14N2O/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1-4H,5-8,11H2
    Definition date:2019-03-15
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:2-morpholin-4-ylaniline
    HN N O O
    LX4
    Name:4-cyclopentylcarbonylpiperazin-2-one
    Formula:C10 H16 N2 O2
    SMILES:O=C1CN(CCN1)C(=O)C2CCCC2
    InChi:InChI=1S/C10H16N2O2/c13-9-7-12(6-5-11-9)10(14)8-3-1-2-4-8/h8H,1-7H2,(H,11,13)
    Definition date:2019-03-15
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:4-cyclopentylcarbonylpiperazin-2-one
    NH 2 N H O F F F S
    LX7
    Name:1-[4-(trifluoromethyloxy)phenyl]thiourea
    Formula:C8 H7 F3 N2 O S
    SMILES:NC(=S)Nc1ccc(OC(F)(F)F)cc1
    InChi:InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15)
    Definition date:2019-03-15
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:1-[4-(trifluoromethyloxy)phenyl]thiourea
    N H N H H 3 C O N O
    LXA
    Name:~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide
    Formula:C11 H13 N3 O2
    SMILES:COCC(=O)NCc1[nH]c2ccccc2n1
    InChi:InChI=1S/C11H13N3O2/c1-16-7-11(15)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
    Definition date:2019-03-15
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide
    O O HN N
    LXJ
    Name:(3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one
    Formula:C15 H16 N2 O2
    SMILES:O=C1NC[CH]2C=CN(CC[CH]12)C(=O)c3ccccc3
    InChi:InChI=1S/C15H16N2O2/c18-14-13-7-9-17(8-6-12(13)10-16-14)15(19)11-4-2-1-3-5-11/h1-6,8,12-13H,7,9-10H2,(H,16,18)/t12-,13+/m1/s1
    Definition date:2019-03-15
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:(3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one
    HO O O N
    LXM
    Name:[(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone
    Formula:C18 H17 N O3
    SMILES:OC[CH]1CN([CH]2[CH]1Oc3ccccc23)C(=O)c4ccccc4
    InChi:InChI=1S/C18H17NO3/c20-11-13-10-19(18(21)12-6-2-1-3-7-12)16-14-8-4-5-9-15(14)22-17(13)16/h1-9,13,16-17,20H,10-11H2/t13-,16-,17-/m0/s1
    Definition date:2019-03-15
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:[(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone
    O O O HO N CH 3 N
    LXS
    Name:3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione
    Formula:C15 H16 N2 O4
    SMILES:CCN1C(=O)CN([CH]2[CH](O)[CH]3O[CH]2c4ccccc34)C1=O
    InChi:InChI=1S/C15H16N2O4/c1-2-16-10(18)7-17(15(16)20)11-12(19)14-9-6-4-3-5-8(9)13(11)21-14/h3-6,11-14,19H,2,7H2,1H3/t11-,12-,13-,14+/m0/s1
    Definition date:2019-03-15
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione
    O O O N H 3 C N
    LZV
    Name:ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate
    Formula:C13 H20 N2 O3
    SMILES:CCOC(=O)[CH]1CN2N(CCC2=O)C13CCCC3
    InChi:InChI=1S/C13H20N2O3/c1-2-18-12(17)10-9-14-11(16)5-8-15(14)13(10)6-3-4-7-13/h10H,2-9H2,1H3/t10-/m0/s1
    Definition date:2019-03-15
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate
    N H N H 3 C O F
    LZY
    Name:8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one
    Formula:C11 H13 F N2 O
    SMILES:CN1Cc2cc(F)ccc2NCCC1=O
    InChi:InChI=1S/C11H13FN2O/c1-14-7-8-6-9(12)2-3-10(8)13-5-4-11(14)15/h2-3,6,13H,4-5,7H2,1H3
    Definition date:2019-03-15
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one
    HO N H O N NH 2
    M0D
    Name:2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide
    Formula:C16 H19 N3 O2
    SMILES:N4(C1CC(c3c(C1)c2c(cccc2)n3)C(C4)O)CC(N)=O
    InChi:InChI=1S/C16H19N3O2/c17-15(21)8-19-7-14(20)12-6-9(19)5-11-10-3-1-2-4-13(10)18-16(11)12/h1-4,9,12,14,18,20H,5-8H2,(H2,17,21)/t9-,12+,14-/m0/s1
    Definition date:2019-03-15
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide
    N H 2 N CH 3 H 2 N
    M16
    Name:7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
    Formula:C18 H19 N3
    SMILES:NCCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2
    InChi:InChI=1S/C18H19N3/c1-12-10-18(20)21-17-11-15(6-7-16(12)17)14-4-2-13(3-5-14)8-9-19/h2-7,10-11H,8-9,19H2,1H3,(H2,20,21)
    Definition date:2019-07-03
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
    N H H 3 C OH S CH 3
    MJ4
    Name:(2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
    Formula:C9 H15 N O S
    SMILES:N(CC(C)O)Cc1ccc(s1)C
    InChi:InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m1/s1
    Definition date:2019-04-04
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:(2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
    NH 2 O F HO
    N0A
    Name:3-fluoro-L-phenylalanine
    Formula:C9 H10 F N O2
    SMILES:NC(Cc1cccc(c1)F)C(=O)O
    InChi:InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
    Definition date:2019-04-26
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:3-fluoro-L-phenylalanine
    N H N N Cl
    N2Z
    Name:3-(2-chlorophenyl)-4~{H}-1,2,4-triazole
    Formula:C8 H6 Cl N3
    SMILES:Clc1ccccc1c2[nH]cnn2
    InChi:InChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12)
    Definition date:2019-11-11
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:3-(2-chlorophenyl)-4~{H}-1,2,4-triazole
    Cl N N NH Cl OH OH N
    N3Q
    Name:2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol
    Formula:C12 H14 Cl2 N4 O2
    SMILES:OCCN(CCO)c1cc(Cl)c(c(Cl)c1)c2[nH]cnn2
    InChi:InChI=1S/C12H14Cl2N4O2/c13-9-5-8(18(1-3-19)2-4-20)6-10(14)11(9)12-15-7-16-17-12/h5-7,19-20H,1-4H2,(H,15,16,17)
    Definition date:2019-11-11
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol
    Cl H 2 N N H N N
    N3W
    Name:2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline
    Formula:C8 H7 Cl N4
    SMILES:Nc1cccc(c1Cl)c2[nH]cnn2
    InChi:InChI=1S/C8H7ClN4/c9-7-5(2-1-3-6(7)10)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13)
    Definition date:2019-11-11
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline
    CH 3 HN N N N H O N H N H N CH 3 O
    N51
    Name:4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide
    Formula:C31 H29 N7 O2
    SMILES:N(C([C@H]=CCN(C)C)=O)c1ccc(cc1)C(=O)Nc5cc(Nc2cc(ncn2)c4cnc3c4cccc3)ccc5
    InChi:InChI=1S/C31H29N7O2/c1-38(2)16-6-11-30(39)36-22-14-12-21(13-15-22)31(40)37-24-8-5-7-23(17-24)35-29-18-28(33-20-34-29)26-19-32-27-10-4-3-9-25(26)27/h3-15,17-20,32H,16H2,1-2H3,(H,36,39)(H,37,40)(H,33,34,35)/b11-6+
    Definition date:2019-05-02
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide
    NH 2 O N OH
    N9P
    Name:3-pyridin-4-yl-L-alanine
    Formula:C8 H10 N2 O2
    SMILES:NC(C(=O)O)Cc1ccncc1
    InChi:InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1
    Definition date:2019-05-09
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:3-pyridin-4-yl-L-alanine
    O N + N OH O HO O O O OH
    NE5
    Name:5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid
    Formula:C24 H16 N2 O8
    SMILES:OC(=O)c1cc(ccc1O)N2[CH](c3ccc(cc3)[N+](=O)=O)C(=C(O)C2=O)C(=O)c4ccccc4
    InChi:InChI=1S/C24H16N2O8/c27-18-11-10-16(12-17(18)24(31)32)25-20(13-6-8-15(9-7-13)26(33)34)19(22(29)23(25)30)21(28)14-4-2-1-3-5-14/h1-12,20,27,29H,(H,31,32)/q+1/t20-/m1/s1
    Definition date:2019-11-26
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid
    N NH 2 + N OH O HO O _ O O O
    NJW
    Name:5-[(2~{S},3~{R})-3-[(~{R})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid
    Formula:C24 H17 N3 O7
    SMILES:NC(c1ccccc1)=C2[CH](N(c3ccc(O)c(c3)C(O)=O)C(=O)C2=O)c4ccc(cc4)[N+]([O-])=O
    InChi:InChI=1S/C24H17N3O7/c25-20(13-4-2-1-3-5-13)19-21(14-6-8-15(9-7-14)27(33)34)26(23(30)22(19)29)16-10-11-18(28)17(12-16)24(31)32/h1-12,21,28H,25H2,(H,31,32)/b20-19-/t21-/m1/s1
    Definition date:2019-12-02
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:5-[(2~{R},3~{Z})-3-[azanyl(phenyl)methylidene]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid
    _ N _ N _ S _ S _ S Ru
    NYN
    Name:chlorido(1,2-diaminoethane-k2N,N')(1,4,7-trithiacyclononane-k3S,S',S'')ruthenium(II) trifluoromethanesulfonate
    Formula:C8 H16 N2 Ru S3
    SMILES:C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4
    InChi:InChI=1S/C6H12S3.C2H4N2.Ru/c1-2-8-5-6-9-4-3-7-1
    Definition date:2020-01-10
    Last modified:2020-04-24
    Release date:2020-04-29
    OH OH O P O OH OH O P O O HO O P O HO O P HO O OH OH P O OH O O P OH O HO O P HO
    O81
    Name:(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
    Formula:C6 H19 O27 P7
    SMILES:OP(OP(OC1C(C(C(C(OP(O)(O)=O)C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)(O)=O)(O)=O
    InChi:InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4-,5-,6-/m1/s1
    Definition date:2019-06-18
    Last modified:2020-04-24
    Release date:2020-04-29
    Identifier:(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate