EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC=CC(=C1)NCC(=O)N/N=C\2/CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C19H27N3O2/c1-24-18-8-4-7-16(12-18)20-13-19(23)22-21-17-10-9-14-5-2-3-6-15(14)11-17/h4,7-8,12,14-15,20H,2-3,5-6,9-11,13H2,1H3,(H,22,23)/b21-17-/t14-,15+/m0/s1
SMILES: CCOP(=O)(OCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H35N2O8PSi/c1-8-25-30(24,26-9-2)27-13-15-14(29-31(6,7)19(3,4)5)12-17(28-15)21-11-10-16(22)20-18(21)23/h10-11,14-15,17H,8-9,12-13H2,1-7H3,(H,20,22,23)/t14-,15+,17+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CC(=O)NCCC4CC[N+](CC4)(C)C)C(=O)[O-])[C@@H](C)O
InChI: InChI=1S/C25H40N4O5S/c1-14-21-20(15(2)30)24(32)28(21)22(25(33)34)23(14)35-18-11-17(27-13-18)12-19(31)26-8-5-16-6-9-29(3,4)10-7-16/h14-18,20-21,27,30H,5-13H2,1-4H3,(H-,26,31,33,34)/t14-,15-,17+,18+,20-,21-/m1/s1
SMILES: C1[C@H]([C@H]([C@H]([C@@H]([C@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)N)O)O)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CN)O)O)O)N
InChI: InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8+,9+,10+,11-,12-,13-,14+,15-,16+,17-,18-,19-,21-,22-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4=CSC(=N4)NC(=O)C5=CC=CO5)CC[C@@H]6[C@@]3(C=CC(=O)N6C)C
InChI: InChI=1S/C27H33N3O3S/c1-26-12-10-18-16(6-9-22-27(18,2)13-11-23(31)30(22)3)17(26)7-8-19(26)20-15-34-25(28-20)29-24(32)21-5-4-14-33-21/h4-5,11,13-19,22H,6-10,12H2,1-3H3,(H,28,29,32)/t16-,17-,18-,19+,22+,26-,27+/m0/s1
SMILES: COC1=C(C(=CC(=C1)CO)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(C[C@@H]3CCCO3)C(=O)CC4CCCC4)C(=O)NCCO
InChI: InChI=1S/C29H41IN2O8/c1-38-25-12-19(17-34)11-22(30)28(25)40-24-15-20(29(37)31-8-9-33)14-23(27(24)36)32(16-21-7-4-10-39-21)26(35)13-18-5-2-3-6-18/h11-12,15,18,21,23-24,27,33-34,36H,2-10,13-14,16-17H2,1H3,(H,31,37)/t21-,23+,24-,27-/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@@H]3CC[C@]4([C@H]([C@H]3CC=C2C1)C/C(=C/C5=CC=CC=C5)/C4=O)C)C
InChI: InChI=1S/C28H34O3/c1-18(29)31-22-11-13-27(2)21(17-22)9-10-23-24(27)12-14-28(3)25(23)16-20(26(28)30)15-19-7-5-4-6-8-19/h4-9,15,22-25H,10-14,16-17H2,1-3H3/b20-15-/t22-,23+,24-,25+,27-,28+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)CS(=O)(=O)C4=CC=CC=C4)C)[C@H](C)C(=O)N(C)CC5=CC=CC=C5)O
InChI: InChI=1S/C32H39N3O5S2/c1-20(30(38)35(4)18-22-11-7-5-8-12-22)24-15-16-32(3)17-25-28(21(2)27(32)29(24)37)34-31(41-25)33-26(36)19-42(39,40)23-13-9-6-10-14-23/h5-14,20-21,24,27,29,37H,15-19H2,1-4H3,(H,33,34,36)/t20-,21-,24-,27+,29-,32-/m0/s1
SMILES: C[C@]12C[C@@H]([C@]3(C(C1CC[C@@]2(C(=O)S[C@H]4CCOC4=O)OC(=O)[C@@H]5CCCO5)C[C@@H](C6=CC(=O)C=C[C@@]63C)F)F)O
InChI: InChI=1S/C29H34F2O8S/c1-26-8-5-15(32)12-18(26)19(30)13-17-16-6-9-28(39-23(34)20-4-3-10-37-20,25(36)40-21-7-11-38-24(21)35)27(16,2)14-22(33)29(17,26)31/h5,8,12,16-17,19-22,33H,3-4,6-7,9-11,13-14H2,1-2H3/t16?,17?,19-,20-,21-,22-,26-,27-,28-,29-/m0/s1
SMILES: CCOC(=O)/C=C/[C@H]([C@@H]1[C@H](OC(O1)(C)C)CCCCCCCCCC[C@H](CBr)OC(=O)C)OCOCCOC
InChI: InChI=1S/C29H51BrO9/c1-6-35-27(32)18-17-25(36-22-34-20-19-33-5)28-26(38-29(3,4)39-28)16-14-12-10-8-7-9-11-13-15-24(21-30)37-23(2)31/h17-18,24-26,28H,6-16,19-22H2,1-5H3/b18-17+/t24-,25-,26-,28-/m1/s1
SMILES: C1[C@@H]([C@H](C(=O)N1)C(=O)N/N=C\C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H23N3O3/c29-24-23(22(16-26-24)20-9-5-2-6-10-20)25(30)28-27-15-18-11-13-21(14-12-18)31-17-19-7-3-1-4-8-19/h1-15,22-23H,16-17H2,(H,26,29)(H,28,30)/b27-15-/t22-,23-/m1/s1
SMILES: CC(C)(C)NC(=O)N1CCC(CC1)N2C(=O)[C@@H]3CC=CC[C@@H]3C(=N2)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C26H36N4O4/c1-26(2,3)27-25(32)29-14-12-18(13-15-29)30-24(31)20-9-7-6-8-19(20)23(28-30)17-10-11-21(33-4)22(16-17)34-5/h6-7,10-11,16,18-20H,8-9,12-15H2,1-5H3,(H,27,32)/t19-,20+/m0/s1
SMILES: C1CC[C@H]([C@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=CC=C(C=C4)F
InChI: InChI=1S/C22H21FN2O3S/c23-14-9-11-15(12-10-14)24-20(26)13-28-22(27)17-6-2-1-5-16(17)21-25-18-7-3-4-8-19(18)29-21/h3-4,7-12,16-17H,1-2,5-6,13H2,(H,24,26)/t16-,17+/m0/s1
SMILES: CC(C)[C@@H]([C@@H]1[C@@H](C(=O)N1CC2=CC=CC=C2)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI: InChI=1S/C26H34N2O4/c1-18(2)21(27-25(30)32-26(3,4)5)22-23(31-17-20-14-10-7-11-15-20)24(29)28(22)16-19-12-8-6-9-13-19/h6-15,18,21-23H,16-17H2,1-5H3,(H,27,30)/t21-,22+,23-/m0/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C9=CC(=C(C=C9)C(=O)O)O)O
InChI: InChI=1S/C42H35ClN4O8S/c1-18-13-20(5-11-30(18)48)35-23-9-10-25-34(39(52)46(37(25)50)22-7-8-24(40(53)54)31(49)15-22)27(23)16-28-38(51)47(41(55)42(28,35)3)33-17-29(44-45(33)4)36-19(2)26-14-21(43)6-12-32(26)56-36/h5-9,11-15,17,25,27-28,34-35,48-49H,10,16H2,1-4H3,(H,53,54)/t25-,27+,28-,34-,35-,42+/m0/s1
SMILES: CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)\C=O)C
InChI: InChI=1S/C32H44O8/c1-5-27-20(3)11-12-31(40-27)16-25-15-24(39-31)10-9-22(17-33)13-19(2)7-6-8-23-18-37-29-28(34)21(4)14-26(30(35)38-25)32(23,29)36/h6-9,14,17,19-20,24-29,34,36H,5,10-13,15-16,18H2,1-4H3/b7-6+,22-9-,23-8+/t19-,20-,24+,25-,26-,27+,28+,29+,31+,32+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=CC=C3F)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C19H16FNO2/c20-16-6-2-5-15-13-3-1-4-14(13)17(21-18(15)16)11-7-9-12(10-8-11)19(22)23/h1-3,5-10,13-14,17,21H,4H2,(H,22,23)/t13-,14-,17+/m0/s1
SMILES: CC1(O[C@@H]2[C@@H](CSC[C@H]([C@H]2O1)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C23H28O4S/c1-23(2)26-21-19(24-13-17-9-5-3-6-10-17)15-28-16-20(22(21)27-23)25-14-18-11-7-4-8-12-18/h3-12,19-22H,13-16H2,1-2H3/t19-,20-,21-,22-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@]([C@H](C(=O)O1)C)(C)O)C)O[C@H]2[C@@H]([C@@H](C[C@H](O2)C)NC)OC(=O)C)(C)O)C)C)C)O)(C)OC
InChI: InChI=1S/C33H62N2O10/c1-14-25-33(10,41-13)27(37)22(6)35(12)17-18(2)16-31(8,39)28(20(4)32(9,40)21(5)29(38)44-25)45-30-26(43-23(7)36)24(34-11)15-19(3)42-30/h18-22,24-28,30,34,37,39-40H,14-17H2,1-13H3/t18-,19-,20-,21+,22-,24-,25-,26-,27-,28-,30+,31-,32+,33-/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C26H40O5/c1-15(5-10-23(29)30)20-8-9-21-19-7-6-17-13-18(31-16(2)27)11-12-25(17,3)24(19)22(28)14-26(20,21)4/h15,17-21,24H,5-14H2,1-4H3,(H,29,30)/t15-,17-,18-,19+,20-,21+,24-,25+,26-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N[C@H]2CCCC[C@H]2CC3=CC=CO3
InChI: InChI=1S/C21H27NO5/c1-24-18-12-15(13-19(25-2)20(18)26-3)21(23)22-17-9-5-4-7-14(17)11-16-8-6-10-27-16/h6,8,10,12-14,17H,4-5,7,9,11H2,1-3H3,(H,22,23)/t14-,17-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)N/N=C(/C)\C2=CC(=C(C=C2)OC)CSCC(=O)O
InChI: InChI=1S/C20H29N3O3S2/c1-13-6-4-5-7-17(13)21-20(27)23-22-14(2)15-8-9-18(26-3)16(10-15)11-28-12-19(24)25/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,24,25)(H2,21,23,27)/b22-14-/t13-,17-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=CC=C3F)C4=CC=CC=C4C(F)(F)F
InChI: InChI=1S/C19H15F4N/c20-16-10-4-8-13-11-6-3-7-12(11)17(24-18(13)16)14-5-1-2-9-15(14)19(21,22)23/h1-6,8-12,17,24H,7H2/t11-,12+,17+/m0/s1
SMILES: C[C@@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OC5=CC=CC=C5Br)C)C
InChI: InChI=1S/C34H49BrO3/c1-22(2)9-8-10-23(3)27-15-16-28-26-14-13-24-21-25(37-32(36)38-31-12-7-6-11-30(31)35)17-19-33(24,4)29(26)18-20-34(27,28)5/h6-7,11-13,22-23,25-29H,8-10,14-21H2,1-5H3/t23-,25-,26+,27+,28-,29+,33-,34+/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C6CCC(CC6)CN7C(=O)C=CC7=O)O
InChI: InChI=1S/C39H42N2O14/c1-17-33(46)22(40-38(51)19-8-6-18(7-9-19)15-41-26(44)10-11-27(41)45)12-28(54-17)55-24-14-39(52,25(43)16-42)13-21-30(24)37(50)32-31(35(21)48)34(47)20-4-3-5-23(53-2)29(20)36(32)49/h3-5,10-11,17-19,22,24,28,33,42,46,48,50,52H,6-9,12-16H2,1-2H3,(H,40,51)/t17-,18?,19?,22-,24-,28-,33+,39-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H22O9/c1-7-13(22-9(3)17)15(24-11(5)19)14(23-10(4)18)12(21-7)6-20-8(2)16/h7,12-15H,6H2,1-5H3/t7-,12-,13+,14-,15-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCC#CCC4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C
InChI: InChI=1S/C43H59N3O10/c1-11-33-43(8)37(45-41(51)56-43)26(4)34(47)24(2)22-42(7,52-19-15-14-16-29-21-30-17-12-13-18-31(30)44-23-29)38(27(5)35(48)28(6)39(50)54-33)55-40-36(49)32(46(9)10)20-25(3)53-40/h12-13,17-18,21,23-28,32-33,36-38,40,49H,11,16,19-20,22H2,1-10H3,(H,45,51)/t24-,25-,26+,27+,28-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)Cl)C(=O)O[11CH3]
InChI: InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1/i2-1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4(OCCO4)C)CCC5([C@]3(C)CCCC=O)OCCO5
InChI: InChI=1S/C25H40O5/c1-22-11-9-20-18(19(22)6-7-21(22)24(3)27-14-15-28-24)8-12-25(29-16-17-30-25)23(20,2)10-4-5-13-26/h13,18-21H,4-12,14-17H2,1-3H3/t18-,19-,20-,21-,22-,23+/m0/s1
SMILES: C1=CC(=C(C=C1/C=C/C(=O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)C3=CC(=C(C(=C3)O)O)O)CO)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O
InChI: InChI=1S/C29H26O17/c30-10-20-25(45-27(41)12-6-16(33)22(38)17(34)7-12)26(44-21(37)4-2-11-1-3-14(31)15(32)5-11)24(40)29(43-20)46-28(42)13-8-18(35)23(39)19(36)9-13/h1-9,20,24-26,29-36,38-40H,10H2/b4-2+/t20-,24-,25-,26-,29+/m1/s1
SMILES: C[C@H](/C=C/[C@H]([C@@H]1[C@H]([C@H](C(O1)O)O)OC(=O)C)NC(=O)OCC2=CC=CC=C2)O
InChI: InChI=1S/C19H25NO8/c1-11(21)8-9-14(16-17(27-12(2)22)15(23)18(24)28-16)20-19(25)26-10-13-6-4-3-5-7-13/h3-9,11,14-18,21,23-24H,10H2,1-2H3,(H,20,25)/b9-8+/t11-,14-,15-,16-,17+,18?/m1/s1
SMILES: C[C@]12C[C@@H](C3C4=C(CCC3(C1CC[C@@H]2O)C=C)C=C(C=C4)NS(=O)(=O)O)CCCCC[C@@H](C(F)(F)F)O
InChI: InChI=1S/C27H38F3NO5S/c1-3-26-14-13-17-15-19(31-37(34,35)36)9-10-20(17)24(26)18(16-25(2)21(26)11-12-22(25)32)7-5-4-6-8-23(33)27(28,29)30/h3,9-10,15,18,21-24,31-33H,1,4-8,11-14,16H2,2H3,(H,34,35,36)/t18-,21?,22-,23-,24?,25-,26?/m0/s1
SMILES: CCOCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)C=O)C(=O)NCCO)C(=O)C4=CC5=CC=CC=C5OC4=O
InChI: InChI=1S/C32H34N2O10/c1-3-42-12-6-10-34(31(39)22-15-19-7-4-5-8-24(19)43-32(22)40)23-16-21(30(38)33-9-11-35)26-20-13-18(17-36)14-25(41-2)28(20)44-29(26)27(23)37/h4-5,7-8,13-17,23,26-27,29,35,37H,3,6,9-12H2,1-2H3,(H,33,38)/t23-,26+,27+,29+/m1/s1
SMILES: C/C(=C/1\C[C@@H]2[C@@H]([C@@H](C[C@H]1O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)/SC5=CC=CC=C5
InChI: InChI=1S/C29H30O3S/c1-21(33-24-15-9-4-10-16-24)25-17-28-29(31-20-23-13-7-3-8-14-23)27(18-26(25)32-28)30-19-22-11-5-2-6-12-22/h2-16,26-29H,17-20H2,1H3/b25-21-/t26-,27-,28-,29-/m1/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)[C@]5(C)CO)C)C)[C@H]2[C@]1(C)O)C)C(=O)O
InChI: InChI=1S/C30H46O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-21,23,31,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,23+,25+,26-,27-,28-,29-,30+/m1/s1
SMILES: CCOCC1=CC=CC(=C1)C[C@@H](/C=C/[C@H]2[C@@H](CC(=O)[C@@H]2SCCCSCC(=O)O)O)O
InChI: InChI=1S/C23H32O6S2/c1-2-29-14-17-6-3-5-16(11-17)12-18(24)7-8-19-20(25)13-21(26)23(19)31-10-4-9-30-15-22(27)28/h3,5-8,11,18-20,23-25H,2,4,9-10,12-15H2,1H3,(H,27,28)/b8-7+/t18-,19+,20-,23-/m1/s1
SMILES: CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C24H30N4O3/c1-16-21(17(2)28(26-16)15-18-8-4-3-5-9-18)14-25-22(29)12-13-27-23(30)19-10-6-7-11-20(19)24(27)31/h3-5,8-9,19-20H,6-7,10-15H2,1-2H3,(H,25,29)/t19-,20+
SMILES: CCC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI: InChI=1S/C30H30N2O5/c1-2-21-19-32(29(35)31-28(21)34)27-18-25(33)26(37-27)20-36-30(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,19,25-27,33H,2,18,20H2,1H3,(H,31,34,35)/t25-,26-,27-/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C19H19NO4/c21-19(15-10-12-16(13-11-15)20(22)23)24-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18H,4-5,8-9H2/t17-,18+/m1/s1
SMILES: CC1(O[C@H]2[C@H]([C@@H]([C@@H]3[C@H]([C@@H]2O1)OC(O3)(C)C)O)NOCC4=CC=CC=C4)C
InChI: InChI=1S/C19H27NO6/c1-18(2)23-14-12(20-22-10-11-8-6-5-7-9-11)13(21)15-17(16(14)25-18)26-19(3,4)24-15/h5-9,12-17,20-21H,10H2,1-4H3/t12-,13-,14-,15+,16+,17+/m0/s1
SMILES: C[C@@H]1[C@H](N2C(=O)C3=C(N=CN3)N(C2=N1)CC4=CC=C(C=C4)Cl)C
InChI: InChI=1S/C16H16ClN5O/c1-9-10(2)22-15(23)13-14(19-8-18-13)21(16(22)20-9)7-11-3-5-12(17)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,18,19)/t9-,10-/m1/s1
SMILES: CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C.C1CC[C@H]([C@@H](C1)N)N.C(=O)(C(=O)[O-])[O-].[Pt+2]
InChI: InChI=1S/C33H48O6.C6H14N2.C2H2O4.Pt/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35;7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35);5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;;+2/p-2/b11-10+,15-14+,21-17+,23-20+,28-19-;;;/t22-,24+,25-,26+,27-,29+,33-;5-,6-;;/m11../s1
SMILES: CC(=O)O[C@@H]1[C@@H](CC[C@H](O1)CN=[N+]=[N-])NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C14H16N6O7/c1-8(21)26-14-12(5-3-10(27-14)7-16-18-15)17-11-4-2-9(19(22)23)6-13(11)20(24)25/h2,4,6,10,12,14,17H,3,5,7H2,1H3/t10-,12+,14-/m0/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3(CC3)CC4=CC=CC=C4)OC5=NC=CC6=CC=CC=C65)NC(=O)OC7=CC=C(C=C7)OC
InChI: InChI=1S/C44H49N5O9S/c1-6-30-26-44(30,40(52)48-59(54,55)43(21-22-43)25-28-12-8-7-9-13-28)47-37(50)35-24-33(57-38-34-15-11-10-14-29(34)20-23-45-38)27-49(35)39(51)36(42(2,3)4)46-41(53)58-32-18-16-31(56-5)17-19-32/h6-20,23,30,33,35-36H,1,21-22,24-27H2,2-5H3,(H,46,53)(H,47,50)(H,48,52)/t30-,33-,35+,36-,44-/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)CSC3=NN=C(S3)NC4=CC(=CC=C4)F
InChI: InChI=1S/C19H23FN4OS2/c20-15-6-3-7-16(10-15)21-18-22-23-19(27-18)26-12-17(25)24-9-8-13-4-1-2-5-14(13)11-24/h3,6-7,10,13-14H,1-2,4-5,8-9,11-12H2,(H,21,22)/t13-,14-/m1/s1
SMILES: CC1([C@@H]2CC[C@]1(C(=O)[C@@H]2OCOC)/C=C/OC3=CC=C(C=C3)OC)C
InChI: InChI=1S/C20H26O5/c1-19(2)16-9-10-20(19,18(21)17(16)25-13-22-3)11-12-24-15-7-5-14(23-4)6-8-15/h5-8,11-12,16-17H,9-10,13H2,1-4H3/b12-11+/t16-,17-,20-/m1/s1
SMILES: CCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@H]1C3=C(C=CC(=C3)OC)OC)C
InChI: InChI=1S/C21H25NO5/c1-5-27-21(24)18-12(2)22-15-7-6-8-16(23)20(15)19(18)14-11-13(25-3)9-10-17(14)26-4/h9-11,19-20H,5-8H2,1-4H3/t19-,20+/m0/s1
SMILES: CCC(=O)O[C@H]1C[C@H]2C[C@H](C[C@H]1N2C)OC(=O)/C(=C/C)/C
InChI: InChI=1S/C16H25NO4/c1-5-10(3)16(19)20-12-7-11-8-14(21-15(18)6-2)13(9-12)17(11)4/h5,11-14H,6-9H2,1-4H3/b10-5+/t11-,12-,13-,14+/m1/s1
SMILES: C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@H]4[C@@H]([C@@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)OC(=O)C7=CC=C(C=C7)O)O)C8=CC=C(C=C8)O)O
InChI: InChI=1S/C37H28O12/c38-20-7-1-17(2-8-20)33-27(44)15-24-25(42)16-29-31(34(24)46-33)32-30-26(43)13-23(41)14-28(30)48-37(49-29,19-5-11-22(40)12-6-19)35(32)47-36(45)18-3-9-21(39)10-4-18/h1-14,16,27,32-33,35,38-44H,15H2/t27-,32+,33-,35+,37-/m1/s1
SMILES: C[C@@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)C)(C)C)O[Si](C)(C)C(C)(C)C)C(C)O)/C
InChI: InChI=1S/C34H66O6Si2/c1-23-18-17-19-24(2)30(40-42(15,16)33(8,9)10)25(3)31(37)34(11,12)28(39-41(13,14)32(5,6)7)22-29(36)38-27(21-20-23)26(4)35/h20,24-28,30,35H,17-19,21-22H2,1-16H3/b23-20-/t24-,25-,26?,27+,28+,30+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H]([C@]2(C1)[N+](=O)[O-])O[N+](=O)[O-])CC[C@@H]4OC(=O)C)C)C
InChI: InChI=1S/C22H32N2O9/c1-12(25)31-14-7-10-21(4)16-8-9-20(3)15(5-6-17(20)32-13(2)26)18(16)19(33-24(29)30)22(21,11-14)23(27)28/h14-19H,5-11H2,1-4H3/t14-,15-,16-,17-,18-,19+,20-,21+,22-/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)NNC(=O)CCN3CCN(CC3)C4=CC=CC=C4
InChI: InChI=1S/C22H32N4O2/c27-21(23-24-22(28)16-19-15-17-6-7-18(19)14-17)8-9-25-10-12-26(13-11-25)20-4-2-1-3-5-20/h1-5,17-19H,6-16H2,(H,23,27)(H,24,28)/t17-,18+,19-/m0/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)O)O
InChI: InChI=1S/C27H17Cl2F5N2O6/c1-8-3-2-4-11(21(8)37)14-9-5-6-10-13(23(39)36(42)22(10)38)12(9)7-26(28)24(40)35(25(41)27(14,26)29)20-18(33)16(31)15(30)17(32)19(20)34/h2-5,10,12-14,37,42H,6-7H2,1H3/t10-,12+,13-,14+,26+,27-/m0/s1
SMILES: CC(C)([C@H]1OC[C@H]([C@H](O1)C2=CN=CC=C2)C/C=C\CCC(=O)O)OC3=CC=C(C=C3)SC
InChI: InChI=1S/C25H31NO5S/c1-25(2,31-20-11-13-21(32-3)14-12-20)24-29-17-19(8-5-4-6-10-22(27)28)23(30-24)18-9-7-15-26-16-18/h4-5,7,9,11-16,19,23-24H,6,8,10,17H2,1-3H3,(H,27,28)/b5-4-/t19-,23-,24+/m1/s1
SMILES: C[C@H](CCC1=CC=CC=C1)NC(=O)[C@@H]2C[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C20H23NO/c1-15(12-13-16-8-4-2-5-9-16)21-20(22)19-14-18(19)17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,21,22)/t15-,18+,19-/m1/s1
SMILES: CCN1C(=O)N[C@@H]([C@@H]([C@]1(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC=CC=C3
InChI: InChI=1S/C18H17F3N2O3S/c1-2-23-16(25)22-14(11-7-4-3-5-8-11)13(17(23,26)18(19,20)21)15(24)12-9-6-10-27-12/h3-10,13-14,26H,2H2,1H3,(H,22,25)/t13-,14-,17-/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)/C=C/COC[C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C
InChI: InChI=1S/C15H23O6.3C4H9.Sn/c1-6-7-16-8-9-10-11(19-14(2,3)18-10)12-13(17-9)21-15(4,5)20-12;3*1-3-4-2;/h1,6,9-13H,7-8H2,2-5H3;3*1,3-4H2,2H3;/t9-,10+,11+,12-,13-;;;;/m1..../s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3
InChI: InChI=1S/C21H29NO3/c1-16-9-5-6-12-18(16)22-19(23)15-25-20(24)21(13-7-8-14-21)17-10-3-2-4-11-17/h2-4,10-11,16,18H,5-9,12-15H2,1H3,(H,22,23)/t16-,18-/m0/s1
SMILES: CC(C)C[C@@H]([C@@H]1C[C@H]1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O
InChI: InChI=1S/C25H36O2Si/c1-19(2)16-24(26)23-17-20(23)18-27-28(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,23-24,26H,16-18H2,1-5H3/t20-,23+,24-/m0/s1
SMILES: COC1=C(C=C(C=C1)I)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)NCC3=CC=CC=C3
InChI: InChI=1S/C20H20IN3O3/c1-12-17(19(25)22-11-13-6-4-3-5-7-13)18(24-20(26)23-12)15-10-14(21)8-9-16(15)27-2/h3-10,17-18H,1,11H2,2H3,(H,22,25)(H2,23,24,26)/t17-,18+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H](C(C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)C(C(=O)O2)CNC(=O)CSC4=NC5=CC=CC=C5N=C4)C
InChI: InChI=1S/C43H62N4O11S/c1-12-31-43(8)34(27(40(53)58-43)19-45-32(48)21-59-33-20-44-28-15-13-14-16-29(28)46-33)24(4)35(49)22(2)18-42(7,54-11)38(25(5)36(50)26(6)39(52)56-31)57-41-37(51)30(47(9)10)17-23(3)55-41/h13-16,20,22-27,30-31,34,37-38,41,51H,12,17-19,21H2,1-11H3,(H,45,48)/t22-,23-,24-,25?,26-,27?,30+,31-,34+,37-,38-,41+,42-,43-/m1/s1
SMILES: CC(C)C(=O)NC1=NC(=O)N(C=C1Br)[C@H]2C[C@@H]([C@H](O2)COC(=O)C(C)C)OC(=O)C(C)C
InChI: InChI=1S/C21H30BrN3O7/c1-10(2)18(26)23-17-13(22)8-25(21(29)24-17)16-7-14(32-20(28)12(5)6)15(31-16)9-30-19(27)11(3)4/h8,10-12,14-16H,7,9H2,1-6H3,(H,23,24,26,29)/t14-,15+,16+/m0/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]4[C@H]([C@]3([C@H]2COC(=O)N)OC)N4C)NCCCO
InChI: InChI=1S/C19H26N4O6/c1-9-13(21-5-4-6-24)16(26)12-10(8-29-18(20)27)19(28-3)17-11(22(17)2)7-23(19)14(12)15(9)25/h10-11,17,21,24H,4-8H2,1-3H3,(H2,20,27)/t10-,11+,17+,19-,22?/m0/s1
SMILES: C1[C@@H]([C@@H](CS1(=O)=O)Cl)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3Cl
InChI: InChI=1S/C13H13Cl2N5O3S/c14-9-4-2-1-3-8(9)13-17-19-20(18-13)5-12(21)16-11-7-24(22,23)6-10(11)15/h1-4,10-11H,5-7H2,(H,16,21)/t10-,11+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2C[C@@]3(C[C@H]4C=C[C@]3(C2)O4)C
InChI: InChI=1S/C19H31NO2/c1-13-5-6-15(16(21)9-13)17(2,3)20-11-18(4)10-14-7-8-19(18,12-20)22-14/h7-8,13-16,21H,5-6,9-12H2,1-4H3/t13-,14-,15-,16-,18+,19-/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)N1C(=O)[C@H](CC=C)CC#N)C2=CC=CC=C2
InChI: InChI=1S/C17H18N2O3/c1-3-7-14(10-11-18)16(20)19-12(2)15(22-17(19)21)13-8-5-4-6-9-13/h3-6,8-9,12,14-15H,1,7,10H2,2H3/t12-,14+,15-/m0/s1
SMILES: C[C@@]12CC[C@]3([C@@H]([C@@H]1CC=C2C#N)CC=C4[C@@]3(CCC(=O)C4)C)O
InChI: InChI=1S/C20H25NO2/c1-18-9-10-20(23)17(16(18)5-4-14(18)12-21)6-3-13-11-15(22)7-8-19(13,20)2/h3-4,16-17,23H,5-11H2,1-2H3/t16-,17+,18-,19-,20+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC3=C(C(=C2)O)C(=O)C4=C(C3=O)C=C(C=C4O)C)O)OC(=O)C)O
InChI: InChI=1S/C23H22O10/c1-8-4-12-16(14(25)5-8)20(29)17-13(19(12)28)6-11(7-15(17)26)33-23-21(30)22(32-10(3)24)18(27)9(2)31-23/h4-7,9,18,21-23,25-27,30H,1-3H3/t9-,18-,21+,22+,23-/m0/s1
SMILES: C1[C@@H](O[C@@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C34H36O4/c1-5-13-27(14-6-1)21-31-22-32(36-24-29-17-9-3-10-18-29)34(37-25-30-19-11-4-12-20-30)33(38-31)26-35-23-28-15-7-2-8-16-28/h1-20,31-34H,21-26H2/t31-,32+,33+,34-/m0/s1
SMILES: [B-]12(C=CC(C=C1)[C@@H]([C@H]2C#N)C#N)[N+]3=CC=CC=C3
InChI: InChI=1S/C14H12BN3/c16-10-13-12-4-6-15(7-5-12,14(13)11-17)18-8-2-1-3-9-18/h1-9,12-14H/t12?,13-,14+,15?/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C20H24N2O6/c1-12-6-4-5-7-14(12)22-19(25)18(24)21(20(22)26)11-15(23)13-8-9-16(27-2)17(10-13)28-3/h8-10,12,14H,4-7,11H2,1-3H3/t12-,14-/m1/s1
SMILES: COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C20H29N3O2/c1-25-19-5-3-2-4-18(19)23-10-8-22(9-11-23)14-20(24)21-17-13-15-6-7-16(17)12-15/h2-5,15-17H,6-14H2,1H3,(H,21,24)/p+1/t15-,16+,17-/m0/s1
SMILES: CC1=CC(=O)[C@@H]2CC=C([C@@H]([C@@]2(C1=O)C)C3=CC(=CC=C3)O)C=C
InChI: InChI=1S/C20H20O3/c1-4-13-8-9-16-17(22)10-12(2)19(23)20(16,3)18(13)14-6-5-7-15(21)11-14/h4-8,10-11,16,18,21H,1,9H2,2-3H3/t16-,18+,20+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](C1CCCC1)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CCC4)OC5=CC(=NC6=C5C=CC(=C6)OC)C7=CC=CC=C7
InChI: InChI=1S/C43H53N5O9S/c1-6-28-24-43(28,40(51)47-58(53,54)31-17-12-18-31)46-38(49)35-22-30(25-48(35)39(50)37(27-15-10-11-16-27)45-41(52)57-42(2,3)4)56-36-23-33(26-13-8-7-9-14-26)44-34-21-29(55-5)19-20-32(34)36/h6-9,13-14,19-21,23,27-28,30-31,35,37H,1,10-12,15-18,22,24-25H2,2-5H3,(H,45,52)(H,46,49)(H,47,51)/t28-,30-,35+,37+,43-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C11H16O8/c1-5(12)16-4-8-9(17-6(2)13)10(11(15)19-8)18-7(3)14/h8-11,15H,4H2,1-3H3/t8-,9-,10-,11-/m1/s1
SMILES: CCOC(=O)[C@H]1CCC[C@@]2([C@@H]1C[C@H](N(C2)C(=O)OCC(Cl)(Cl)Cl)C3=CC=C(C=C3)OC)C#N
InChI: InChI=1S/C23H27Cl3N2O5/c1-3-32-20(29)17-5-4-10-22(12-27)13-28(21(30)33-14-23(24,25)26)19(11-18(17)22)15-6-8-16(31-2)9-7-15/h6-9,17-19H,3-5,10-11,13-14H2,1-2H3/t17-,18+,19-,22+/m0/s1
SMILES: C1[C@@H]2[C@H](C3=CC=CC=C31)N(C(=O)O2)C(=O)[C@@H](CC4=CC=CC=C4)[C@@H](COCC5=CC=CC=C5)O
InChI: InChI=1S/C28H27NO5/c30-24(18-33-17-20-11-5-2-6-12-20)23(15-19-9-3-1-4-10-19)27(31)29-26-22-14-8-7-13-21(22)16-25(26)34-28(29)32/h1-14,23-26,30H,15-18H2/t23-,24+,25+,26-/m0/s1
SMILES: COC1=CC=C(C=C1)N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C22H25FN2O4S/c1-29-19-8-6-18(7-9-19)25(30(27,28)20-10-4-17(23)5-11-20)14-22(26)24-21-13-15-2-3-16(21)12-15/h4-11,15-16,21H,2-3,12-14H2,1H3,(H,24,26)/t15-,16-,21+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(C[C@@]2(CC[C@@H]3[C@@]2(CCC=C(CC[C@@H](CC4=CC(=C3C=C4)C(=O)CC5=C(C=CC=C5Cl)F)O)C)C)O)CC67CC8CC(C6)CC(C8)C7)C(C)C
InChI: InChI=1S/C52H71ClFNO5/c1-32(2)40-15-12-34(4)20-48(40)60-49(58)55(30-51-27-36-21-37(28-51)23-38(22-36)29-51)31-52(59)19-17-44-41-16-13-35(24-39(56)14-11-33(3)8-7-18-50(44,52)5)25-42(41)47(57)26-43-45(53)9-6-10-46(43)54/h6,8-10,13,16,25,32,34,36-40,44,48,56,59H,7,11-12,14-15,17-24,26-31H2,1-5H3/t34-,36?,37?,38?,39-,40+,44-,48-,50-,51?,52+/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4SC=C5)C(=O)[O-]
InChI: InChI=1S/C21H18N6O5S3/c1-32-25-13(12-9-35-21(22)23-12)16(28)24-14-17(29)27-15(20(30)31)11(8-34-19(14)27)7-26-5-2-3-10-4-6-33-18(10)26/h2-6,9,14,19H,7-8H2,1H3,(H3-,22,23,24,28,30,31)/b25-13-/t14-,19-/m1/s1
SMILES: CC(C)(CCCCNC(=O)CNC(=O)N(C)C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C37H53N5O11S/c1-37(2,15-8-9-16-38-33(44)20-39-35(45)41(3)4)23-42(54(47,48)26-12-13-30-31(19-26)52-24-51-30)21-29(43)28(18-25-10-6-5-7-11-25)40-36(46)53-32-22-50-34-27(32)14-17-49-34/h5-7,10-13,19,27-29,32,34,43H,8-9,14-18,20-24H2,1-4H3,(H,38,44)(H,39,45)(H,40,46)/t27-,28-,29+,32-,34+/m0/s1