EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C(=O)N)C5=C(C=C(C=C5OC)OC)O
InChI: InChI=1S/C26H24N2O8/c1-10-6-16(29)15-9-14-12(4-5-13-19(14)25(33)28(24(13)32)26(27)34)20(21(15)23(10)31)22-17(30)7-11(35-2)8-18(22)36-3/h4,6-8,13-14,19-20,30H,5,9H2,1-3H3,(H2,27,34)/t13-,14+,19-,20-/m0/s1
SMILES: C1=CC=[N+]2[C@@H]3[C@H]4C5=CC=CC=[N+]5[C@@H]([C@H](C2=C1)C6=C3C=CC(=C6)Cl)C7=C4C=C(C=C7)Cl
InChI: InChI=1S/C26H18Cl2N2/c27-15-7-9-17-19(13-15)23-21-5-1-3-11-29(21)26(17)24-20-14-16(28)8-10-18(20)25(23)30-12-4-2-6-22(24)30/h1-14,23-26H/q+2/t23-,24+,25+,26-
SMILES: CC(C)C(C(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)OCC3=CC=C(C=C3)Cl)N
InChI: InChI=1S/C21H25ClFN3O6/c1-11(2)18(24)20(28)31-10-16-15(30-9-12-3-5-13(22)6-4-12)7-17(32-16)26-8-14(23)19(27)25-21(26)29/h3-6,8,11,15-18H,7,9-10,24H2,1-2H3,(H,25,27,29)/t15-,16+,17+,18?/m0/s1
SMILES: C[C@]12CCCC(C1CC[C@@]3(C(O2)CC[C@]3(C)C4CC5CC[C@]6(C([C@@]5(C4)C)CC7=C(C=CC(=C76)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C)C)(C)C.[Na+].[Na+]
InChI: InChI=1S/C36H54O9S2.2Na/c1-31(2)14-8-15-36(7)27(31)12-17-35(6)29(43-36)13-18-34(35,5)23-19-22-11-16-32(3)28(33(22,4)21-23)20-24-25(44-46(37,38)39)9-10-26(30(24)32)45-47(40,41)42;;/h9-10,22-23,27-29H,8,11-21H2,1-7H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/t22?,23?,27?,28?,29?,32-,33+,34+,35+,36-;;/m0../s1
SMILES: C1C[C@@H]2CC(=O)CC[C@H]2C[C@H]1N3CCN(CC3)C4=CC=CC=N4
InChI: InChI=1S/C19H27N3O/c23-18-7-5-15-13-17(6-4-16(15)14-18)21-9-11-22(12-10-21)19-3-1-2-8-20-19/h1-3,8,15-17H,4-7,9-14H2/t15-,16+,17-/m0/s1
SMILES: CC(C)(C1CCC(CC1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C16H30O7/c1-16(2,10-5-3-9(7-17)4-6-10)23-15-14(21)13(20)12(19)11(8-18)22-15/h9-15,17-21H,3-8H2,1-2H3/t9?,10?,11-,12-,13+,14-,15+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)OC(F)(F)F)O)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC=C(C=C6)I
InChI: InChI=1S/C28H19BrCl2F3IN2O6/c29-11-36-24(41)26(30)10-18-15(6-7-16-20(18)23(40)37(22(16)39)13-3-1-12(35)2-4-13)21(27(26,31)25(36)42)17-9-14(5-8-19(17)38)43-28(32,33)34/h1-6,8-9,16,18,20-21,38H,7,10-11H2/t16-,18+,20-,21+,26+,27-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](C[C@H]([C@@H]2O1)N3C=NC4=C3N=CN=C4Cl)C=C)C
InChI: InChI=1S/C15H17ClN4O2/c1-4-8-5-9(12-11(8)21-15(2,3)22-12)20-7-19-10-13(16)17-6-18-14(10)20/h4,6-9,11-12H,1,5H2,2-3H3/t8-,9+,11+,12-/m0/s1
SMILES: COC1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C23H25NO2/c1-26-20-11-8-16(9-12-20)14-21(18-5-3-2-4-6-18)23(25)24-22-15-17-7-10-19(22)13-17/h2-6,8-9,11-12,14,17,19,22H,7,10,13,15H2,1H3,(H,24,25)/b21-14+/t17-,19+,22-/m0/s1
SMILES: CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=CSC3=N[C@@H]4CCCC[C@@H]4N23
InChI: InChI=1S/C20H25N3OS/c1-20(2,3)18(24)21-14-10-8-13(9-11-14)17-12-25-19-22-15-6-4-5-7-16(15)23(17)19/h8-12,15-16H,4-7H2,1-3H3,(H,21,24)/t15-,16+/m1/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=CC=C5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=CC8=CC=CC=C87)C(=O)C9=CC=C(C=C9)C#N)OCC=C)OC
InChI: InChI=1S/C62H64N4O10/c1-4-33-73-62-57(66(60(69)44-25-23-41(38-63)24-26-44)39-46-20-14-19-43-17-8-9-21-49(43)46)37-54(65-74-40-42-15-6-5-7-16-42)51-34-45(18-10-12-31-67)50(22-11-13-32-68)58(59(51)62)52-35-48(28-30-55(52)76-62)75-61(70)64-53-29-27-47(71-2)36-56(53)72-3/h4-9,14-17,19-21,23-30,34-36,45,50,57-59,67-68H,1,10-13,18,22,31-33,37,39-40H2,2-3H3,(H,64,70)/t45-,50+,57-,58+,59+,62+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)O)N3C=NC4=C3N=CN=C4OC)C
InChI: InChI=1S/C14H18N4O4/c1-14(2)21-10-7(4-8(19)11(10)22-14)18-6-17-9-12(18)15-5-16-13(9)20-3/h5-8,10-11,19H,4H2,1-3H3/t7-,8+,10+,11-/m1/s1
SMILES: CCN(CC)[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)C3=CC=CC=C3)O[C@@H]1OC)O
InChI: InChI=1S/C18H27NO5/c1-4-19(5-2)14-15(20)16-13(23-18(14)21-3)11-22-17(24-16)12-9-7-6-8-10-12/h6-10,13-18,20H,4-5,11H2,1-3H3/t13-,14-,15-,16-,17?,18+/m1/s1
SMILES: CCC(=O)O[C@@H]1[C@H]([C@H]2CC[C@@]1(C2(C)C)C)CC3=CC=C(C=C3)OC
InChI: InChI=1S/C21H30O3/c1-6-18(22)24-19-16(13-14-7-9-15(23-5)10-8-14)17-11-12-21(19,4)20(17,2)3/h7-10,16-17,19H,6,11-13H2,1-5H3/t16-,17+,19+,21-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@H]4I)C)C
InChI: InChI=1S/C21H31IO2/c1-13(23)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(22)21(17,3)11-9-18(16)20/h4,15-19H,5-12H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C
InChI: InChI=1S/C20H24N2O3/c1-13-7-3-5-9-17(13)22-19(23)12-25-20(24)16-11-14(2)21-18-10-6-4-8-15(16)18/h4,6,8,10-11,13,17H,3,5,7,9,12H2,1-2H3,(H,22,23)/t13-,17+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H]([C@H]3[C@H]([C@@H]2OC)O[C@]4(CCCC[C@@]4(O3)OC)OC)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)N=[N+]=[N-])C
InChI: InChI=1S/C45H57N3O12/c1-43(2)57-38-36(49-3)39-41(60-45(51-5)24-16-15-23-44(45,50-4)59-39)37(40(38)58-43)56-42-33(47-48-46)35(54-27-31-21-13-8-14-22-31)34(53-26-30-19-11-7-12-20-30)32(55-42)28-52-25-29-17-9-6-10-18-29/h6-14,17-22,32-42H,15-16,23-28H2,1-5H3/t32-,33-,34-,35-,36-,37+,38-,39+,40+,41+,42-,44+,45+/m1/s1
SMILES: C[C@@]1(C(=O)[C@@H]2C=CC[C@@]2([C@@]1(C)COCC3=CC=CC=C3)O)COCC4=C(C=CC=C4C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C28H28F6O4/c1-24(16-38-15-19-20(27(29,30)31)10-6-11-21(19)28(32,33)34)23(35)22-12-7-13-26(22,36)25(24,2)17-37-14-18-8-4-3-5-9-18/h3-12,22,36H,13-17H2,1-2H3/t22-,24-,25-,26+/m0/s1
SMILES: C1=CN2C(=NC(=NC2=O)N)N1[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O
InChI: InChI=1S/C10H13N5O5/c11-8-12-9-14(1-2-15(9)10(19)13-8)7-6(18)5(17)4(3-16)20-7/h1-2,4-7,16-18H,3H2,(H2,11,13,19)/t4-,5-,6-,7-/m0/s1
SMILES: C/C=C/1\CN2[C@H](C[C@@]34C5=CC=CC=C5N=C3C2C[C@@H]1[C@@]4(C=O)C(=O)OC)OC
InChI: InChI=1S/C22H24N2O4/c1-4-13-11-24-17-9-15(13)22(12-25,20(26)28-3)21(10-18(24)27-2)14-7-5-6-8-16(14)23-19(17)21/h4-8,12,15,17-18H,9-11H2,1-3H3/b13-4+/t15-,17?,18-,21+,22-/m0/s1
SMILES: C1C[C@H]([C@@H](C1)OCC2=CC=CC=C2)NCC(C3=C4C(=CC(=C3)O)NC(=O)S4)O
InChI: InChI=1S/C21H24N2O4S/c24-14-9-15(20-17(10-14)23-21(26)28-20)18(25)11-22-16-7-4-8-19(16)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,16,18-19,22,24-25H,4,7-8,11-12H2,(H,23,26)/t16-,18?,19-/m1/s1
SMILES: C[C@H]1C[C@H]([C@@](O[C@@H]1C(=C)Br)(C[C@@H]2C[C@@H]3[C@H](O2)C[C@H]([C@@]4(O3)CC[C@@]5(O4)C=CC[C@H](O5)/C=C/CCC(=O)O)C)O)C
InChI: InChI=1S/C30H43BrO8/c1-18-14-19(2)29(34,38-27(18)21(4)31)17-23-16-25-24(35-23)15-20(3)30(37-25)13-12-28(39-30)11-7-9-22(36-28)8-5-6-10-26(32)33/h5,7-8,11,18-20,22-25,27,34H,4,6,9-10,12-17H2,1-3H3,(H,32,33)/b8-5+/t18-,19+,20+,22+,23-,24+,25+,27-,28-,29-,30+/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)C2=CC=CC=C2S(=O)(=O)O)C.C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[O-]S(=O)(=O)[O-]
InChI: InChI=1S/C15H22N6O5S.C15H16O3S.H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14(13)19(16,17)18;1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);4-9H,1-3H3,(H,16,17,18);(H2,1,2,3,4)/p-1/t7-,8+,10+,11+,14+,27?;;/m0../s1
SMILES: C1C[NH+]2C[C@H]3CC=C(C[C@@H]3[C@H]2C4=C1C5=CC=CC=C5N4)Cl
InChI: InChI=1S/C18H19ClN2/c19-12-6-5-11-10-21-8-7-14-13-3-1-2-4-16(13)20-17(14)18(21)15(11)9-12/h1-4,6,11,15,18,20H,5,7-10H2/p+1/t11-,15+,18+/m1/s1
SMILES: COC(=O)COCCCC[C@H]1[C@@H](C[C@H]([C@@H]1C2=CC=C(C=C2)C(C3CCCCC3)O)O)Cl
InChI: InChI=1S/C25H37ClO5/c1-30-23(28)16-31-14-6-5-9-20-21(26)15-22(27)24(20)17-10-12-19(13-11-17)25(29)18-7-3-2-4-8-18/h10-13,18,20-22,24-25,27,29H,2-9,14-16H2,1H3/t20-,21+,22+,24+,25?/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCC[C@@H]1CC[C@@]2(C1)C[C@@H]3N(C2=O)[C@H]([C@@H](O3)C4=CC=CC=C4)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C
InChI: InChI=1S/C41H57NO4Si2/c1-39(2,3)47(7,8)44-27-25-31-24-26-41(28-31)29-36-42(38(41)43)35(37(46-36)32-18-12-9-13-19-32)30-45-48(40(4,5)6,33-20-14-10-15-21-33)34-22-16-11-17-23-34/h9-23,31,35-37H,24-30H2,1-8H3/t31-,35-,36+,37-,41+/m0/s1
SMILES: C[C@]12CC[C@](C[C@H]1C3=C[C@H]([C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)OC)(C)C(=O)O
InChI: InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)32)21(35-8)17-19-20-18-28(4,25(33)34)14-13-27(20,3)15-16-30(19,31)6/h17,20-22,24H,9-16,18H2,1-8H3,(H,33,34)/t20-,21+,22-,24+,27+,28-,29-,30+,31+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@@H]2[C@H](OC(O2)(C)C)COC(=O)C3=CC=C(C=C3)OC)CN)C
InChI: InChI=1S/C20H29NO7/c1-19(2)25-14(10-21)16(27-19)17-15(26-20(3,4)28-17)11-24-18(22)12-6-8-13(23-5)9-7-12/h6-9,14-17H,10-11,21H2,1-5H3/t14-,15+,16+,17-/m0/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)N2CCC(CC2)C(=O)N)C(=O)C3=CC(=NC=C3)Cl
InChI: InChI=1S/C21H29ClN4O3/c1-2-14-13-26(21(29)17-3-7-24-18(22)11-17)10-6-16(14)12-19(27)25-8-4-15(5-9-25)20(23)28/h3,7,11,14-16H,2,4-6,8-10,12-13H2,1H3,(H2,23,28)/t14-,16-/m0/s1
SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)O[C@H]4C3
InChI: InChI=1S/C17H19NO4/c1-2-21-11-5-3-10(4-6-11)18-16(19)14-9-7-12-13(8-9)22-17(20)15(12)14/h3-6,9,12-15H,2,7-8H2,1H3,(H,18,19)/t9-,12+,13+,14-,15-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3
InChI: InChI=1S/C18H27N3O3S2/c1-14-6-2-3-7-16(14)20-17(22)13-25-18-9-8-15(12-19-18)26(23,24)21-10-4-5-11-21/h8-9,12,14,16H,2-7,10-11,13H2,1H3,(H,20,22)/t14-,16+/m1/s1
SMILES: C1CCC(C1)N2C(=O)[C@@H]3[C@@H](N[C@@]4([C@@H]3C2=O)C5=CC=CC=C5NC4=O)CC6=CC=CC=C6
InChI: InChI=1S/C25H25N3O3/c29-22-20-19(14-15-8-2-1-3-9-15)27-25(17-12-6-7-13-18(17)26-24(25)31)21(20)23(30)28(22)16-10-4-5-11-16/h1-3,6-9,12-13,16,19-21,27H,4-5,10-11,14H2,(H,26,31)/t19-,20+,21-,25+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4([C@@]3(CCCO4)C)O)C
InChI: InChI=1S/C26H46O2/c1-18(2)8-6-9-19(3)21-10-11-22-20-12-16-26(27)25(5,14-7-17-28-26)23(20)13-15-24(21,22)4/h18-23,27H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26?/m1/s1
SMILES: C=CCO[C@@H]1[C@H]([C@@H](O[C@H]2[C@@H]1O[C@H](OC2)C3=CC=CC=C3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4OCC5=CC=CC=C5)O)OCC6=CC=CC=C6)CO)O
InChI: InChI=1S/C36H42O11/c1-2-18-40-32-29(39)36(45-27-22-43-34(46-31(27)32)25-16-10-5-11-17-25)47-30-26(19-37)44-35(42-21-24-14-8-4-9-15-24)28(38)33(30)41-20-23-12-6-3-7-13-23/h2-17,26-39H,1,18-22H2/t26-,27-,28-,29-,30-,31+,32-,33-,34+,35-,36+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)NC(=S)N2C(=O)NC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C18H19N3OS/c22-17(21-16-11-4-3-9-15(16)20-18(21)23)19-14-10-5-7-12-6-1-2-8-13(12)14/h1-2,5-8,10,15-16H,3-4,9,11H2,(H,19,22)(H,20,23)/t15-,16+/m1/s1
SMILES: CCN1C[C@@H]2[C@@H](C([C@@H](C(=C2C=C1)C#N)N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F
InChI: InChI=1S/C21H18F3N5/c1-2-29-8-7-13-15(9-25)19(28)20(11-26,12-27)18(16(13)10-29)14-5-3-4-6-17(14)21(22,23)24/h3-8,16,18-19H,2,10,28H2,1H3/t16-,18-,19+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H25NO3/c1-16-7-5-6-10-20(16)23-21(24)15-26-19-13-11-18(12-14-19)22(25)17-8-3-2-4-9-17/h2-4,8-9,11-14,16,20H,5-7,10,15H2,1H3,(H,23,24)/t16-,20-/m1/s1
SMILES: C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4C(C)C/C=C/C(C)(C)O)C)C
InChI: InChI=1S/C29H48O2/c1-19(9-8-15-26(3,4)31)21-12-17-29(7)24-11-10-22-20(2)25(30)14-16-27(22,5)23(24)13-18-28(21,29)6/h8,15,19-22,25,30-31H,9-14,16-18H2,1-7H3/b15-8+/t19?,20-,21+,22-,25-,27-,28+,29-/m0/s1
SMILES: CC(=O)N([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI: InChI=1S/C30H31N3O11/c1-16(34)32(33-28(21-11-7-6-8-12-21)31-23-14-10-9-13-22(23)29(33)39)30-27(43-20(5)38)26(42-19(4)37)25(41-18(3)36)24(44-30)15-40-17(2)35/h6-14,24-27,30H,15H2,1-5H3/t24-,25+,26+,27-,30-/m1/s1
SMILES: C1CCC(CC1)NC(=O)OC[C@H]2[C@H]([C@@H]2C(=O)O)[C@H](C(=O)O)N
InChI: InChI=1S/C14H22N2O6/c15-11(13(19)20)9-8(10(9)12(17)18)6-22-14(21)16-7-4-2-1-3-5-7/h7-11H,1-6,15H2,(H,16,21)(H,17,18)(H,19,20)/t8-,9+,10+,11+/m0/s1
SMILES: CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C1=CC2=C(CC[C@@H]([C@H]2N(C)C(=O)CC3=CC(=C(C=C3)Cl)Cl)N4CCCC4)C=C1.Cl
InChI: InChI=1S/C35H47Cl2N3O5.ClH/c1-34(2,3)44-31(42)21-40(22-32(43)45-35(4,5)6)25-13-11-24-12-15-29(39-16-8-9-17-39)33(26(24)20-25)38(7)30(41)19-23-10-14-27(36)28(37)18-23;/h10-11,13-14,18,20,29,33H,8-9,12,15-17,19,21-22H2,1-7H3;1H/t29-,33-;/m0./s1
SMILES: C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O
InChI: InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1
SMILES: CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C(=O)[O-])C
InChI: InChI=1S/C22H29NO5S/c1-11(2)28-22(27)18-14-7-5-6-8-17(14)29-20(18)23-19(24)15-9-12(3)13(4)10-16(15)21(25)26/h11,15-16H,5-10H2,1-4H3,(H,23,24)(H,25,26)/p-1/t15-,16-/m0/s1
SMILES: C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O)C)C)C)OC1
InChI: InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27?/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)C#N)N=[N+]=[N-])O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C24H38N8O4Si2/c1-13(2)37(14(3)4)33-11-18-21(35-38(36-37,15(5)6)16(7)8)20(30-31-27)24(34-18)32-10-17(9-25)19-22(26)28-12-29-23(19)32/h10,12-16,18,20-21,24H,11H2,1-8H3,(H2,26,28,29)/t18-,20+,21-,24-/m1/s1
SMILES: CCC(CO)NCCNC(CC)CO.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.C10H24N2O2/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;1-3-9(7-13)11-5-6-12-10(4-2)8-14/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36);9-14H,3-8H2,1-2H3/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+;/m0./s1
SMILES: COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N3CCC[C@@H]4[C@H]3CCCC4
InChI: InChI=1S/C20H27N5O2S/c1-27-16-10-8-15(9-11-16)19-22-23-20(25(19)21)28-13-18(26)24-12-4-6-14-5-2-3-7-17(14)24/h8-11,14,17H,2-7,12-13,21H2,1H3/t14-,17-/m1/s1
SMILES: C[C@@]12[C@H]3[C@H]4[C@@H]1N(CCOC5=C6C=COC6=CC(=C45)OC3=O)C(=O)NC2=O
InChI: InChI=1S/C18H14N2O6/c1-18-12-11-10-9(26-15(12)21)6-8-7(2-4-24-8)13(10)25-5-3-20(14(11)18)17(23)19-16(18)22/h2,4,6,11-12,14H,3,5H2,1H3,(H,19,22,23)/t11-,12-,14-,18+/m0/s1
SMILES: CCC1=CC(C(=C(N1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C#N)C3=CC=CO3
InChI: InChI=1S/C18H22N2O6S/c1-2-9-6-10(12-4-3-5-25-12)11(7-19)17(20-9)27-18-16(24)15(23)14(22)13(8-21)26-18/h3-6,10,13-16,18,20-24H,2,8H2,1H3/t10?,13-,14-,15+,16-,18+/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])C.[Na+]
InChI: InChI=1S/C17H18N2O6S.Na/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8;/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25);/q;+1/p-2/t9?,10-,11+,14-;/m1./s1
SMILES: CCCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C15H22O6/c1-2-3-9-4-6-10(7-5-9)20-15-14(19)13(18)12(17)11(8-16)21-15/h4-7,11-19H,2-3,8H2,1H3/t11-,12-,13+,14-,15-/m1/s1
SMILES: CC(=C)[C@@H]1C[C@@H]2[C@@](CC(=O)O2)([C@@H](C1)Cl)C
InChI: InChI=1S/C12H17ClO2/c1-7(2)8-4-9(13)12(3)6-11(14)15-10(12)5-8/h8-10H,1,4-6H2,2-3H3/t8-,9+,10+,12-/m0/s1
SMILES: CCOC1=CC=CC=C1NC(=O)C2[C@H]3[C@H]2CC/C=C\CC/C=C/CC3
InChI: InChI=1S/C22H29NO2/c1-2-25-20-16-12-11-15-19(20)23-22(24)21-17-13-9-7-5-3-4-6-8-10-14-18(17)21/h5-8,11-12,15-18,21H,2-4,9-10,13-14H2,1H3,(H,23,24)/b7-5-,8-6+/t17-,18-,21?/m1/s1
SMILES: C1CC[C@@H]2C[NH+](CC[C@@H]2C1)CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3
InChI: InChI=1S/C20H27N3OS/c24-19-18-15-7-3-4-8-16(15)25-20(18)22-17(21-19)12-23-10-9-13-5-1-2-6-14(13)11-23/h13-14H,1-12H2,(H,21,22,24)/p+1/t13-,14+/m0/s1
SMILES: CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C/C(=N\O)/CC[C@H]34
InChI: InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15-/t16-,17+,18+,19-,20-,21-/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)C2=C(C=C(C=C2)C)C)C(C)C
InChI: InChI=1S/C21H30O4/c1-13(2)17-8-6-15(4)11-19(17)25-20(22)12-24-21(23)18-9-7-14(3)10-16(18)5/h7,9-10,13,15,17,19H,6,8,11-12H2,1-5H3/t15-,17-,19-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H]3CSC4=CC=CC=C4C3=NN2C5=CC=CC=C5
InChI: InChI=1S/C23H20N2S/c1-16-11-13-17(14-12-16)23-20-15-26-21-10-6-5-9-19(21)22(20)24-25(23)18-7-3-2-4-8-18/h2-14,20,23H,15H2,1H3/t20-,23+/m1/s1
SMILES: C[C@H](CC[C@H](C(C)(C)O)F)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)C)OC(=O)C)C)C
InChI: InChI=1S/C31H47FO5/c1-18(8-13-27(32)29(4,5)35)24-11-12-25-23-10-9-21-16-22(36-19(2)33)17-28(37-20(3)34)31(21,7)26(23)14-15-30(24,25)6/h9-10,18,22,24-28,35H,8,11-17H2,1-7H3/t18-,22-,24-,25+,26+,27-,28+,30-,31+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
InChI: InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16?/m1/s1
SMILES: COC(=O)C1([C@@H]([C@H](N2[C@@H]1C3=CC=CC=C3C=C2)C(=O)C4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5)C(=O)OC
InChI: InChI=1S/C29H23Cl2NO5/c1-36-27(34)29(28(35)37-2)23(18-9-4-3-5-10-18)24(25(33)21-13-12-19(30)16-22(21)31)32-15-14-17-8-6-7-11-20(17)26(29)32/h3-16,23-24,26H,1-2H3/t23-,24+,26-/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C
InChI: InChI=1S/C17H23NO/c1-10-6-11(2)16(12(3)7-10)18-17(19)15-9-13-4-5-14(15)8-13/h6-7,13-15H,4-5,8-9H2,1-3H3,(H,18,19)/t13-,14-,15+/m0/s1
SMILES: C1C[C@@H]([C@H]([C@@H](C1)OC2=CC=CC=C2)O)NCC3=CC=CC=C3
InChI: InChI=1S/C19H23NO2/c21-19-17(20-14-15-8-3-1-4-9-15)12-7-13-18(19)22-16-10-5-2-6-11-16/h1-6,8-11,17-21H,7,12-14H2/t17-,18+,19+/m0/s1
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CCC5[C@@]3(CC[C@@H](C5)N(C6[C@@H]([C@H]([C@H]([C@H](O6)C(=O)O)O)O)O)OC)C
InChI: InChI=1S/C30H45NO10/c1-28-9-6-17(31(39-3)26-24(35)22(33)23(34)25(41-26)27(36)37)13-16(28)4-5-20-19(28)7-10-29(2)18(8-11-30(20,29)38)15-12-21(32)40-14-15/h12,16-20,22-26,33-35,38H,4-11,13-14H2,1-3H3,(H,36,37)/t16?,17-,18+,19?,20?,22-,23+,24+,25-,26?,28-,29+,30-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)NC(=O)[C@@H](N2C(=S)NC3=CC=CC=C3)CC(=O)NC4=CC(=CC(=C4)Cl)Cl
InChI: InChI=1S/C23H24Cl2N4O2S/c24-14-10-15(25)12-17(11-14)26-21(30)13-20-22(31)28-18-8-4-5-9-19(18)29(20)23(32)27-16-6-2-1-3-7-16/h1-3,6-7,10-12,18-20H,4-5,8-9,13H2,(H,26,30)(H,27,32)(H,28,31)/t18-,19-,20-/m0/s1
SMILES: CC(C)(C)C(=O)O[C@H]1CN2CC[C@@H](C2[C@H]([C@@H]1O)O)O
InChI: InChI=1S/C13H23NO5/c1-13(2,3)12(18)19-8-6-14-5-4-7(15)9(14)11(17)10(8)16/h7-11,15-17H,4-6H2,1-3H3/t7-,8-,9?,10+,11+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NS(=O)(=O)CCCCl
InChI: InChI=1S/C24H26ClNO9S/c1-31-18-6-12(7-19(32-2)23(18)27)20-13-8-16-17(35-11-34-16)9-14(13)22(15-10-33-24(28)21(15)20)26-36(29,30)5-3-4-25/h6-9,15,20-22,26-27H,3-5,10-11H2,1-2H3/t15-,20+,21-,22+/m0/s1
SMILES: CC(=C1[C@@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)F)C
InChI: InChI=1S/C18H16FNO2/c1-9(2)14-12-7-8-13(14)16-15(12)17(21)20(18(16)22)11-5-3-10(19)4-6-11/h3-8,12-13,15-16H,1-2H3/t12-,13-,15-,16+/m0/s1
SMILES: CC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@@H]2[C@H]([C@H](C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C(=O)O
InChI: InChI=1S/C21H19ClN2O5S/c1-10(25)11-6-7-14-12(8-11)18-13(20(23-14)21(26)27)9-17(19(18)22)30-16-5-3-2-4-15(16)24(28)29/h2-8,13,17-20,23H,9H2,1H3,(H,26,27)/t13-,17-,18+,19-,20+/m0/s1
SMILES: CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7[C@@](C=CC9)([C@H]([C@@](C8N6C)(C(=O)OC)O)OC(=O)[C@H](CC(C)C)N)CC)OC)C(=O)OC)O
InChI: InChI=1S/C50H67N5O9/c1-9-46(59)25-30-26-49(44(57)62-7,39-32(16-20-54(27-30)28-46)31-14-11-12-15-36(31)52-39)34-23-33-37(24-38(34)61-6)53(5)42-48(33)18-21-55-19-13-17-47(10-2,41(48)55)43(50(42,60)45(58)63-8)64-40(56)35(51)22-29(3)4/h11-15,17,23-24,29-30,35,41-43,52,59-60H,9-10,16,18-22,25-28,51H2,1-8H3/t30-,35-,41?,42?,43+,46-,47+,48?,49-,50-/m0/s1
SMILES: C1[C@H](C=C[C@H]([C@@H]1OC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)N4C=NC5=NC=NC(=C54)N
InChI: InChI=1S/C26H23N5O4/c27-23-22-24(29-15-28-23)30-16-31(22)20-12-11-19(14-34-25(32)17-7-3-1-4-8-17)21(13-20)35-26(33)18-9-5-2-6-10-18/h1-12,15-16,19-21H,13-14H2,(H2,27,28,29)/t19-,20-,21+/m0/s1
SMILES: CN1C(=O)[C@H]2[C@H](N[C@@]3([C@H]2C1=O)C4=CC=CC=C4NC3=O)[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=CC(=O)NC6=O)O)O
InChI: InChI=1S/C22H21N5O8/c1-26-17(31)11-12(18(26)32)22(8-4-2-3-5-9(8)23-20(22)33)25-13(11)16-14(29)15(30)19(35-16)27-7-6-10(28)24-21(27)34/h2-7,11-16,19,25,29-30H,1H3,(H,23,33)(H,24,28,34)/t11-,12-,13+,14+,15-,16-,19-,22-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=C(C(=C2)OC(=O)C)C(=O)CCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H36O15/c1-17(34)41-16-28-30(44-20(4)37)31(45-21(5)38)32(46-22(6)39)33(48-28)47-24-14-26(42-18(2)35)29(27(15-24)43-19(3)36)25(40)13-12-23-10-8-7-9-11-23/h7-11,14-15,28,30-33H,12-13,16H2,1-6H3/t28-,30-,31+,32-,33-/m1/s1
SMILES: CCOC1(O[C@@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O1)OC(=O)C)SCC)C)C
InChI: InChI=1S/C14H24O6S/c1-6-16-14(5)19-10-8(3)17-13(21-7-2)12(11(10)20-14)18-9(4)15/h8,10-13H,6-7H2,1-5H3/t8-,10+,11+,12-,13+,14?/m0/s1
SMILES: C[C@]12CC[C@]3([C@H]([C@@H]1C[C@H](C2)O)CCC4=C3C=CC(=C4)O)C#C
InChI: InChI=1S/C20H24O2/c1-3-20-9-8-19(2)12-15(22)11-18(19)17(20)6-4-13-10-14(21)5-7-16(13)20/h1,5,7,10,15,17-18,21-22H,4,6,8-9,11-12H2,2H3/t15-,17+,18+,19-,20-/m1/s1
SMILES: CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)[C@H]3CCCC[C@@H]3C(=O)O
InChI: InChI=1S/C21H30N2O4S/c1-21(2,3)11-8-9-14-15(10-11)28-19(16(14)17(22)24)23-18(25)12-6-4-5-7-13(12)20(26)27/h11-13H,4-10H2,1-3H3,(H2,22,24)(H,23,25)(H,26,27)/t11-,12+,13+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]3[C@@H]([C@H](CC4[C@@H]3C(=O)CCC4)OCC5=CC=CC=C5)O[C@@H]2O1)C
InChI: InChI=1S/C22H28O5/c1-22(2)26-20-18-17-14(9-6-10-15(17)23)11-16(19(18)25-21(20)27-22)24-12-13-7-4-3-5-8-13/h3-5,7-8,14,16-21H,6,9-12H2,1-2H3/t14?,16-,17+,18+,19+,20+,21+/m0/s1
SMILES: C1[C@@H]([C@H]2CN3C4=C(C(=O)NC(=O)N4[C@@H]1O2)N=N3)O
InChI: InChI=1S/C9H9N5O4/c15-3-1-5-14-8-6(7(16)10-9(14)17)11-12-13(8)2-4(3)18-5/h3-5,15H,1-2H2,(H,10,16,17)/t3-,4+,5+/m0/s1
SMILES: CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CO)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C34H35N3O7S/c1-34(2,3)44-33(42)36-25(21-13-7-4-8-14-21)29(39)35-26-30(40)37-27(24(19-38)20-45-31(26)37)32(41)43-28(22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,25-26,28,31,38H,19-20H2,1-3H3,(H,35,39)(H,36,42)/t25?,26-,31-/m1/s1
SMILES: CO[C@]12C3=CC=CC=C3C(=O)[C@H](O1)[C@H](N2C4CCCCC4)C5=CC=CC=C5
InChI: InChI=1S/C23H25NO3/c1-26-23-19-15-9-8-14-18(19)21(25)22(27-23)20(16-10-4-2-5-11-16)24(23)17-12-6-3-7-13-17/h2,4-5,8-11,14-15,17,20,22H,3,6-7,12-13H2,1H3/t20-,22-,23-/m1/s1
SMILES: CC1(O[C@H]2[C@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)N[C@@H](CCC(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C
InChI: InChI=1S/C31H37NO10/c1-30(2)39-23-24(40-30)26-29(42-31(3,4)41-26)38-25(23)27(34)32-21(28(35)37-18-20-13-9-6-10-14-20)15-16-22(33)36-17-19-11-7-5-8-12-19/h5-14,21,23-26,29H,15-18H2,1-4H3,(H,32,34)/t21-,23-,24-,25+,26+,29-/m0/s1
SMILES: C[C@@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+](C)[C@@H](C)[C@H](C4=CC=CC=C4)O)O)C
InChI: InChI=1S/C25H35NO4/c1-15-9-8-12-18-13-20-21(23(28)25(15,18)3)19(24(29)30-20)14-26(4)16(2)22(27)17-10-6-5-7-11-17/h5-7,10-12,15-16,19-23,27-28H,8-9,13-14H2,1-4H3/p+1/t15-,16+,19+,20-,21-,22-,23-,25-/m1/s1
SMILES: CCCCCCCCCC[C@@H]1[C@@H]([C@H]([C@H](O1)OC)OCC#C)OC(=S)SC
InChI: InChI=1S/C20H34O4S2/c1-5-7-8-9-10-11-12-13-14-16-17(24-20(25)26-4)18(22-15-6-2)19(21-3)23-16/h2,16-19H,5,7-15H2,1,3-4H3/t16-,17+,18-,19+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC3=C(C=CC=C3Cl)Cl
InChI: InChI=1S/C17H18Cl2N2O3/c1-10-5-2-3-8-14(10)21-16(23)15(22)20(17(21)24)9-11-12(18)6-4-7-13(11)19/h4,6-7,10,14H,2-3,5,8-9H2,1H3/t10-,14+/m1/s1
SMILES: COC(=O)[C@H]1[C@H]2[C@@]3(CC[C@@H]([C@@]2(C(=O)O3)CO)O)[C@H]4[C@]15C[C@@H](CC4)C(=O)C5
InChI: InChI=1S/C19H24O7/c1-25-15(23)13-14-18(8-20)12(22)4-5-19(14,26-16(18)24)11-3-2-9-6-17(11,13)7-10(9)21/h9,11-14,20,22H,2-8H2,1H3/t9-,11-,12+,13-,14-,17-,18+,19-/m1/s1
SMILES: C[C@H]1C[C@@H]([C@@]2(N1)C3=CC(=CC(=C3NC2=O)C)C)C(=O)NC4=C(C=CC(=C4)OC)OC
InChI: InChI=1S/C23H27N3O4/c1-12-8-13(2)20-16(9-12)23(22(28)25-20)17(10-14(3)26-23)21(27)24-18-11-15(29-4)6-7-19(18)30-5/h6-9,11,14,17,26H,10H2,1-5H3,(H,24,27)(H,25,28)/t14-,17+,23-/m0/s1
SMILES: CC1(CCCC(N1OC[C@@H]2CCC[C@H]2C3=CC=C(C=C3)Br)(C)C)C
InChI: InChI=1S/C21H32BrNO/c1-20(2)13-6-14-21(3,4)23(20)24-15-17-7-5-8-19(17)16-9-11-18(22)12-10-16/h9-12,17,19H,5-8,13-15H2,1-4H3/t17-,19-/m0/s1