EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C25H23NO5/c1-14(22(27)15-7-3-2-4-8-15)31-25(30)18-9-5-6-10-19(18)26-23(28)20-16-11-12-17(13-16)21(20)24(26)29/h2-10,14,16-17,20-21H,11-13H2,1H3/t14-,16-,17+,20-,21-/m0/s1
SMILES: C[C@H](CCC(C)(C)OCOC)[C@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)OC)OC(=O)OC)C)C
InChI: InChI=1S/C34H54O8/c1-21(14-16-32(3,4)40-20-37-7)22(2)26-12-13-27-25-11-10-23-18-24(41-30(35)38-8)19-29(42-31(36)39-9)34(23,6)28(25)15-17-33(26,27)5/h10-11,21-22,24,26-29H,12-20H2,1-9H3/t21-,22+,24-,26-,27+,28+,29+,33-,34+/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6)OC)O)C7=CC=CC=C7)NC8=CC=C(C=C8)C
InChI: InChI=1S/C42H39N3O6/c1-4-25-12-16-28(17-13-25)44-38(47)32-21-20-30-33(36(32)40(44)49)23-34-39(48)45(43-27-14-10-24(2)11-15-27)41(50)42(34,26-8-6-5-7-9-26)37(30)31-19-18-29(51-3)22-35(31)46/h5-20,22,32-34,36-37,43,46H,4,21,23H2,1-3H3/t32-,33+,34-,36-,37+,42+/m0/s1
SMILES: CCCCOC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=C[C@H](C4)OC)C)C
InChI: InChI=1S/C25H40O4/c1-5-6-15-28-23(26)29-22-10-9-20-19-8-7-17-16-18(27-4)11-13-24(17,2)21(19)12-14-25(20,22)3/h11,13,17-22H,5-10,12,14-16H2,1-4H3/t17-,18+,19-,20-,21-,22-,24-,25-/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=C(C=C7)O)Cl)C(=O)N(C5=O)C8=CC=C(C=C8)I
InChI: InChI=1S/C39H31ClIN3O5/c1-21-7-11-24(12-8-21)42-44-36(47)31-20-30-27(17-18-29-33(30)37(48)43(35(29)46)25-13-9-23(41)10-14-25)34(28-16-15-26(45)19-32(28)40)39(31,38(44)49)22-5-3-2-4-6-22/h2-17,19,29-31,33-34,42,45H,18,20H2,1H3/t29-,30+,31-,33-,34+,39+/m0/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)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=C(C=C5)C)C=C
InChI: InChI=1S/C45H67N5O10/c1-13-35-45(14-2)39(50(43(55)60-45)20-16-15-19-49-24-33(47-25-49)32-18-17-27(4)46-23-32)29(6)36(51)26(3)22-44(9,56-12)40(30(7)37(52)31(8)41(54)58-35)59-42-38(53)34(48(10)11)21-28(5)57-42/h14,17-18,23-26,28-31,34-35,38-40,42,53H,2,13,15-16,19-22H2,1,3-12H3/t26-,28-,29+,30+,31-,34+,35-,38-,39+,40-,42+,44-,45-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H]([C@@]([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C(=O)N)C5=CC=CO5
InChI: InChI=1S/C25H19N3O3/c26-15-25(24(27)30)20-13-12-16-7-4-5-10-18(16)28(20)22(21(25)19-11-6-14-31-19)23(29)17-8-2-1-3-9-17/h1-14,20-22H,(H2,27,30)/t20-,21+,22-,25+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[C@@H](/C=C/CC/C=C(\C)/C=C/CCCCCCC)OC(=O)C)OC(=O)C
InChI: InChI=1S/C60H101NO15/c1-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-31-33-37-42-54(72-48(6)64)59(68)61-52(53(71-47(5)63)41-38-34-36-40-45(3)39-35-32-30-17-15-13-11-2)43-70-60-58(75-51(9)67)57(74-50(8)66)56(73-49(7)65)55(76-60)44-69-46(4)62/h35,38-41,52-58,60H,10-34,36-37,42-44H2,1-9H3,(H,61,68)/b39-35+,41-38+,45-40+/t52-,53+,54+,55+,56+,57-,58+,60+/m0/s1
SMILES: CCN(CC)CCOC1=CC=C(C=C1)[C@H]2[C@@H](C(OC3=C2C=CC(=C3)OC)(C)C)C4=CC=CC=C4.Cl
InChI: InChI=1S/C30H37NO3.ClH/c1-6-31(7-2)19-20-33-24-15-13-22(14-16-24)28-26-18-17-25(32-5)21-27(26)34-30(3,4)29(28)23-11-9-8-10-12-23;/h8-18,21,28-29H,6-7,19-20H2,1-5H3;1H/t28-,29+;/m1./s1
SMILES: CCCCCCN(C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N(CCCl)N=O
InChI: InChI=1S/C15H28ClN3O7/c1-2-3-4-5-7-18(15(24)19(17-25)8-6-16)14-13(23)12(22)11(21)10(9-20)26-14/h10-14,20-23H,2-9H2,1H3/t10-,11-,12+,13-,14?/m1/s1
SMILES: CC(=O)[C@H]1CCC2[C@@]1(CCC3C2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)CCC(=O)O)C)C
InChI: InChI=1S/C25H38O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h16-21H,4-14H2,1-3H3,(H,27,28)/t16-,17-,18?,19-,20?,21?,24+,25-/m1/s1
SMILES: C1[C@H]([C@@H](OC1=O)[C]2[CH][CH][CH][CH]2)C(=O)C3=CC=C(C=C3)Br.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChI: InChI=1S/C16H12BrO3.C5H5.Fe/c17-12-7-5-10(6-8-12)15(19)13-9-14(18)20-16(13)11-3-1-2-4-11;1-2-4-5-3-1;/h1-8,13,16H,9H2;1-5H;/q;;+2/t13-,16-;;/m0../s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@]3(C2=O)C)C=C4
InChI: InChI=1S/C17H17NO2/c1-10-4-3-5-13(8-10)18-15(19)14-11-6-7-12(9-11)17(14,2)16(18)20/h3-8,11-12,14H,9H2,1-2H3/t11-,12+,14+,17+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
InChI: InChI=1S/C16H17N3O6/c20-8-10-12(21)13(22)15(25-10)19-7-6-11(18-16(19)24)17-14(23)9-4-2-1-3-5-9/h1-7,10,12-13,15,20-22H,8H2,(H,17,18,23,24)/t10-,12+,13-,15+/m0/s1
SMILES: C[C@H]1CCC2[C@H](C[C@H](C3=C(C(=C(C1=C23)O)O[C@@H]4[C@@H]([C@H]([C@H](CO4)OC(=O)C)O)O)C)C=C(C)C)C
InChI: InChI=1S/C27H38O7/c1-12(2)9-17-10-14(4)18-8-7-13(3)20-22(18)21(17)15(5)26(24(20)30)34-27-25(31)23(29)19(11-32-27)33-16(6)28/h9,13-14,17-19,23,25,27,29-31H,7-8,10-11H2,1-6H3/t13-,14-,17+,18?,19-,23-,25+,27+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6)CN7CCN(CC7)CC8=CC=CC=C8
InChI: InChI=1S/C50H52N4O5/c1-36-47(34-54-28-26-53(27-29-54)33-37-10-4-2-5-11-37)58-49(59-48(36)40-20-18-38(35-55)19-21-40)43-15-9-14-42(31-43)41-13-8-12-39(30-41)32-51-50(56)52-44-22-24-46(25-23-44)57-45-16-6-3-7-17-45/h2-25,30-31,36,47-49,55H,26-29,32-35H2,1H3,(H2,51,52,56)/t36-,47+,48+,49+/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)P3(=O)OCC[C@H](O3)C4=CC(=CC=C4)Cl)OC5=CC(=NC6=C5C=CC(=C6)OC)C7=CC=CC=C7)NC(=O)OC8CCCC8
InChI: InChI=1S/C47H54ClN4O9P/c1-6-31-27-47(31,62(56)58-22-21-40(61-62)30-15-12-16-32(48)23-30)51-43(53)39-25-35(28-52(39)44(54)42(46(2,3)4)50-45(55)60-33-17-10-11-18-33)59-41-26-37(29-13-8-7-9-14-29)49-38-24-34(57-5)19-20-36(38)41/h6-9,12-16,19-20,23-24,26,31,33,35,39-40,42H,1,10-11,17-18,21-22,25,27-28H2,2-5H3,(H,50,55)(H,51,53)/t31-,35-,39+,40+,42-,47+,62?/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3
InChI: InChI=1S/C21H32N4O2S/c1-16-5-3-4-6-19(16)23-21(28)24(2)15-20(26)22-17-7-9-18(10-8-17)25-11-13-27-14-12-25/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,22,26)(H,23,28)/t16-,19-/m0/s1
SMILES: CCCN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)O)O)CCCCO)CCCCO)C(=O)NCC5=CC6=CC=CC=C6N5
InChI: InChI=1S/C38H50N4O7/c1-3-16-42(37(46)39-23-26-19-25-11-4-5-13-31(25)40-26)34-22-32(41-48-2)29-20-24(10-6-8-17-43)28(12-7-9-18-44)35-30-21-27(45)14-15-33(30)49-38(34,47)36(29)35/h4-5,11,13-15,19-21,24,28,34-36,40,43-45,47H,3,6-10,12,16-18,22-23H2,1-2H3,(H,39,46)/t24-,28+,34-,35+,36+,38+/m0/s1
SMILES: C[C@@H]1[C@H]([C@]2(CCC[C@H]2O1)I)C(=O)N3[C@H](COC3=O)C(C)C
InChI: InChI=1S/C15H22INO4/c1-8(2)10-7-20-14(19)17(10)13(18)12-9(3)21-11-5-4-6-15(11,12)16/h8-12H,4-7H2,1-3H3/t9-,10-,11-,12+,15-/m1/s1
SMILES: CC(C)CC(=O)O[C@H]1[C@@H](C2=C(C=CC(=C2O)/C=C/C(=O)N3CCOCC3)OC1(C)C)[NH+]4CCOCC4
InChI: InChI=1S/C27H38N2O7/c1-18(2)17-22(31)35-26-24(29-11-15-34-16-12-29)23-20(36-27(26,3)4)7-5-19(25(23)32)6-8-21(30)28-9-13-33-14-10-28/h5-8,18,24,26,32H,9-17H2,1-4H3/p+1/b8-6+/t24-,26+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H24ClN5OS/c1-11-4-3-5-15(12(11)2)21-16(25)10-26-18-23-22-17(24(18)20)13-6-8-14(19)9-7-13/h6-9,11-12,15H,3-5,10,20H2,1-2H3,(H,21,25)/t11-,12+,15-/m0/s1
SMILES: CC1=C(C(=NS(=O)(=O)N1)C)CC(=O)N2CCC[C@@H]3[C@H]2CCCC3
InChI: InChI=1S/C16H25N3O3S/c1-11-14(12(2)18-23(21,22)17-11)10-16(20)19-9-5-7-13-6-3-4-8-15(13)19/h13,15,17H,3-10H2,1-2H3/t13-,15-/m1/s1
SMILES: C1C[C@H](OC1)CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)OCC(C(F)F)(F)F
InChI: InChI=1S/C16H21F4NO4/c17-15(18)16(19,20)9-25-14(23)12-6-2-1-5-11(12)13(22)21-8-10-4-3-7-24-10/h1-2,10-12,15H,3-9H2,(H,21,22)/t10-,11+,12+/m0/s1
SMILES: C[C@H]1[C@H]2CC[C@@H]3[C@]2(CO[C@@]14[C@@H](CC(O4)(C)C)O)C(=O)C[C@H]5[C@H]3CC[C@@H]6[C@@]5(CCC(=O)C6)C
InChI: InChI=1S/C27H40O5/c1-15-19-7-8-20-18-6-5-16-11-17(28)9-10-25(16,4)21(18)12-22(29)26(19,20)14-31-27(15)23(30)13-24(2,3)32-27/h15-16,18-21,23,30H,5-14H2,1-4H3/t15-,16-,18-,19+,20-,21-,23+,25-,26+,27-/m0/s1
SMILES: C[C@]12CC[C@@](CC1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)(C5CCCCC5)O
InChI: InChI=1S/C25H40O2/c1-23-14-15-25(27,17-6-4-3-5-7-17)16-18(23)8-9-19-20-10-11-22(26)24(20,2)13-12-21(19)23/h17-21,27H,3-16H2,1-2H3/t18?,19-,20-,21-,23-,24-,25+/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=CC=CC(=C5O)CC=C)C(=O)C(=CC4=O)C
InChI: InChI=1S/C28H27NO5/c1-4-7-15-8-6-9-17(26(15)32)22-16-10-11-18-23(28(34)29(5-2)27(18)33)19(16)13-20-21(30)12-14(3)25(31)24(20)22/h4,6,8-10,12,18-19,22-23,32H,1,5,7,11,13H2,2-3H3/t18-,19+,22+,23-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCC[C@@H]3C(C4=CC=CC=C4)(C5=CC=CC=C5)O)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=C(C=C7)C8=CC=CC=C8)C
InChI: InChI=1S/C52H57NO4/c1-37-14-12-31-50(2)47(30-32-51(50,56)36-53-33-13-21-48(53)52(57,42-17-8-4-9-18-42)43-19-10-5-11-20-43)45-29-23-38(34-44(54)28-22-37)35-46(45)49(55)41-26-24-40(25-27-41)39-15-6-3-7-16-39/h3-11,14-20,23-27,29,35,44,47-48,54,56-57H,12-13,21-22,28,30-34,36H2,1-2H3/t44-,47-,48+,50-,51+/m0/s1
SMILES: CC1=C(C=C(C=C1)C(=O)O)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C16H17NO4/c1-9-6-7-10(16(20)21)8-13(9)17-14(18)11-4-2-3-5-12(11)15(17)19/h6-8,11-12H,2-5H2,1H3,(H,20,21)/t11-,12-/m1/s1
SMILES: CCCCCCCCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)OC(=O)CCCCCCCCC
InChI: InChI=1S/C29H47FN2O7/c1-3-5-7-9-11-13-15-17-26(33)37-21-24-23(39-27(34)18-16-14-12-10-8-6-4-2)19-25(38-24)32-20-22(30)28(35)31-29(32)36/h20,23-25H,3-19,21H2,1-2H3,(H,31,35,36)/t23-,24+,25+/m0/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)[C@]23CC=C[C@H]([C@]2(C(=O)C=CC3=O)C#N)OC
InChI: InChI=1S/C19H17NO4S/c1-13-5-7-14(8-6-13)25(23)19-11-3-4-17(24-2)18(19,12-20)15(21)9-10-16(19)22/h3-10,17H,11H2,1-2H3/t17-,18-,19+,25+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1/C(=C/CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)/C[C@H](O[C@]1(C(C)(C)CS(=O)(=O)C4=CC=CC=C4)OC)C[C@@H]5[C@H](OC(O5)(C)C)C
InChI: InChI=1S/C47H70O8SSi2/c1-13-57(14-2,15-3)55-43-37(31-32-51-58(44(5,6)7,40-27-21-17-22-28-40)41-29-23-18-24-30-41)33-38(34-42-36(4)52-46(10,11)54-42)53-47(43,50-12)45(8,9)35-56(48,49)39-25-19-16-20-26-39/h16-31,36,38,42-43H,13-15,32-35H2,1-12H3/b37-31+/t36-,38+,42-,43+,47-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)O[N+](=O)[O-]
InChI: InChI=1S/C17H17N3O8/c1-10-8-19(17(23)18-15(10)21)14-7-12(28-20(24)25)13(27-14)9-26-16(22)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3,(H,18,21,23)/t12-,13+,14+/m0/s1
SMILES: CC(CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1(CCC3C2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16?,17?,18-,19-,20?,21?,22-,24?,25+,26-/m1/s1
SMILES: C[C@]12C=C[C@](O1)([C@@H]3[C@H]2C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])CO
InChI: InChI=1S/C16H14N2O6/c1-15-5-6-16(8-19,24-15)12-11(15)13(20)17(14(12)21)9-3-2-4-10(7-9)18(22)23/h2-7,11-12,19H,8H2,1H3/t11-,12+,15+,16+/m0/s1
SMILES: CC[C@@H]1CO[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)[C@H]3CC[C@@](C[C@@]3(C4=CC=CC=C4)O)(CC(=O)OCC)O
InChI: InChI=1S/C28H37NO7S/c1-4-22-18-36-26(29(22)37(33,34)23-13-11-20(3)12-14-23)24-15-16-27(31,17-25(30)35-5-2)19-28(24,32)21-9-7-6-8-10-21/h6-14,22,24,26,31-32H,4-5,15-19H2,1-3H3/t22-,24-,26-,27+,28+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N2C3=CC=C(C=C3)F)SCCC4=CC=CC=C4
InChI: InChI=1S/C29H34FNO2SSi/c1-29(2,3)35(4,5)33-25-17-11-22(12-18-25)26-27(34-20-19-21-9-7-6-8-10-21)28(32)31(26)24-15-13-23(30)14-16-24/h6-18,26-27H,19-20H2,1-5H3/t26-,27+/m1/s1
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C21H24N2O6/c1-13-7-8-17(28-2)16(11-13)22-18(24)12-29-19(25)9-10-23-20(26)14-5-3-4-6-15(14)21(23)27/h3-4,7-8,11,14-15H,5-6,9-10,12H2,1-2H3,(H,22,24)/t14-,15-/m1/s1
SMILES: COC1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)CN3CCC[C@H]4[C@@H]3CCCC4
InChI: InChI=1S/C22H30N4OS/c1-3-14-25-21(18-10-12-19(27-2)13-11-18)23-26(22(25)28)16-24-15-6-8-17-7-4-5-9-20(17)24/h3,10-13,17,20H,1,4-9,14-16H2,2H3/t17-,20-/m0/s1
SMILES: CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H20N2O5/c1-9-14(18(24)25-3)10(2)19-15(9)13(21)8-20-16(22)11-6-4-5-7-12(11)17(20)23/h4-5,11-12,19H,6-8H2,1-3H3/t11-,12+
SMILES: CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)NCC4=CC=C(C=C4)OC)O)NC(=O)CSC5=NN=CN5C
InChI: InChI=1S/C39H49N7O6S/c1-39(2,3)35(43-31(48)22-53-38-45-41-23-46(38)4)37(51)42-29(19-24-11-7-6-8-12-24)34(49)33(40-21-25-15-17-27(52-5)18-16-25)36(50)44-32-28-14-10-9-13-26(28)20-30(32)47/h6-18,23,29-30,32-35,40,47,49H,19-22H2,1-5H3,(H,42,51)(H,43,48)(H,44,50)/t29-,30+,32-,33+,34+,35+/m0/s1
SMILES: COC1=C(C=C2[C@H]3[C@@H](OC(=O)N3CCC2=C1)C4=CC=CC=C4)OC
InChI: InChI=1S/C19H19NO4/c1-22-15-10-13-8-9-20-17(14(13)11-16(15)23-2)18(24-19(20)21)12-6-4-3-5-7-12/h3-7,10-11,17-18H,8-9H2,1-2H3/t17-,18-/m0/s1
SMILES: C1=CSC(=N1)C2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C13H13N5O4S/c19-3-6-9(20)10(21)13(22-6)18-5-17-7-8(12-14-1-2-23-12)15-4-16-11(7)18/h1-2,4-6,9-10,13,19-21H,3H2/t6-,9-,10-,13-/m1/s1
SMILES: C[C@]12CC[C@@H]3C4=C(CC[C@]35[C@]1(C5)CC[C@@H]2O)C=C(C=C4)O
InChI: InChI=1S/C19H24O2/c1-17-7-5-15-14-3-2-13(20)10-12(14)4-8-18(15)11-19(17,18)9-6-16(17)21/h2-3,10,15-16,20-21H,4-9,11H2,1H3/t15-,16+,17-,18-,19+/m1/s1
SMILES: CC(C)C1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CC6(CCCC6)CC(=O)O)C)COC(=O)CC7(CCCC7)CC(=O)O
InChI: InChI=1S/C48H76O8/c1-31(2)32-14-23-48(30-55-39(53)28-46(26-37(49)50)17-8-9-18-46)25-24-44(6)33(41(32)48)12-13-35-43(5)21-16-36(42(3,4)34(43)15-22-45(35,44)7)56-40(54)29-47(27-38(51)52)19-10-11-20-47/h31-36,41H,8-30H2,1-7H3,(H,49,50)(H,51,52)/t32?,33?,34?,35?,36-,41?,43-,44+,45+,48+/m0/s1
SMILES: CCC[C@@H]1[C@@H]([NH2+][C@@H](C[C@@]1(C#CC2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3/p+1/t25-,26+,27+,28-/m1/s1
SMILES: CC(C)(C)C1=NC(=NC=C1)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NCC4CCCCC4
InChI: InChI=1S/C21H34N4O2/c1-21(2,3)17-9-10-22-20(25-17)24-16-13-27-18-15(12-26-19(16)18)23-11-14-7-5-4-6-8-14/h9-10,14-16,18-19,23H,4-8,11-13H2,1-3H3,(H,22,24,25)/t15-,16-,18+,19+/m0/s1
SMILES: CC1=CC(=NC(=N1)N[C@@H]2[C@H]3COC(=O)[C@@H]3[C@H](C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)OC)OC)Cl
InChI: InChI=1S/C27H26ClN3O7/c1-12-5-21(28)30-27(29-12)31-24-15-9-18-17(37-11-38-18)8-14(15)22(23-16(24)10-36-26(23)32)13-6-19(33-2)25(35-4)20(7-13)34-3/h5-9,16,22-24H,10-11H2,1-4H3,(H,29,30,31)/t16-,22-,23-,24-/m0/s1
SMILES: CN(C)OCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)O
InChI: InChI=1S/C21H26N6O6/c1-26(2)32-9-8-31-17-16(29)14(10-28)33-21(17)27-12-24-15-18(22-11-23-19(15)27)25-20(30)13-6-4-3-5-7-13/h3-7,11-12,14,16-17,21,28-29H,8-10H2,1-2H3,(H,22,23,25,30)/t14-,16-,17-,21-/m1/s1
SMILES: C[C@@]12[C@H](C[C@@H]1C(=O)[C@@H]3[C@H](C2=O)C3(C)C)C#N
InChI: InChI=1S/C13H15NO2/c1-12(2)8-9(12)11(16)13(3)6(5-14)4-7(13)10(8)15/h6-9H,4H2,1-3H3/t6-,7-,8+,9-,13-/m1/s1
SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C19H22N2OS/c1-2-12-3-6-14(7-4-12)17-11-23-19(20-17)21-18(22)16-10-13-5-8-15(16)9-13/h3-4,6-7,11,13,15-16H,2,5,8-10H2,1H3,(H,20,21,22)/t13-,15-,16+/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@H](C[C@@H](C3=C2C1=C(C=C3C)OC)C=C(C)C)C
InChI: InChI=1S/C21H30O/c1-12(2)9-16-10-14(4)17-8-7-13(3)20-18(22-6)11-15(5)19(16)21(17)20/h9,11,13-14,16-17H,7-8,10H2,1-6H3/t13-,14-,16-,17+/m0/s1
SMILES: C=C1[C@@H]([C@@H](NC(=O)N1)C2=C(C=CC=C2F)F)C(=O)N3CCOCC3
InChI: InChI=1S/C16H17F2N3O3/c1-9-12(15(22)21-5-7-24-8-6-21)14(20-16(23)19-9)13-10(17)3-2-4-11(13)18/h2-4,12,14H,1,5-8H2,(H2,19,20,23)/t12-,14+/m0/s1
SMILES: C1CN(CCC1CC(=O)N2CCC(CC2)[C@@H]3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)CC(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C34H43Br2ClN4O7/c35-22-12-21-2-1-20-13-23(37)14-24(36)28(20)29(30(21)38-15-22)19-5-9-41(10-6-19)27(44)11-18-3-7-40(8-4-18)16-26(43)39-34-33(47)32(46)31(45)25(17-42)48-34/h12-15,18-19,25,29,31-34,42,45-47H,1-11,16-17H2,(H,39,43)/t25-,29-,31+,32+,33-,34-/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC(=C(C(=C8Br)Br)O)OC)C(=O)N(C7=O)C9=CC=C(C=C9)Br)C
InChI: InChI=1S/C41H32Br3ClN4O6S/c1-17-23-13-19(45)7-12-29(23)56-36(17)27-16-30(47(3)46-27)49-38(52)26-14-24-21(10-11-22-31(24)39(53)48(37(22)51)20-8-5-18(42)6-9-20)32(41(26,2)40(49)54)25-15-28(55-4)35(50)34(44)33(25)43/h5-10,12-13,15-16,22,24,26,31-32,50H,11,14H2,1-4H3/t22-,24+,26-,31-,32+,41+/m0/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCN(CC8)C9=NC=CC=N9
InChI: InChI=1S/C53H50N6O12/c1-67-30-31-70-52(66)58-40-23-18-33(12-10-17-38(47(62)68-2)48(63)69-3)32-39(40)53(50(58)65)41(46(61)56-26-28-57(29-27-56)51-54-24-11-25-55-51)43-49(64)71-44(35-15-8-5-9-16-35)42(34-13-6-4-7-14-34)59(43)45(53)36-19-21-37(60)22-20-36/h4-9,11,13-16,18-25,32,38,41-45,60H,17,26-31H2,1-3H3/t41-,42-,43-,44+,45+,53-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C2=CC=C(C=C2)CN(C3=CC=CC=C3)C(=O)N4CCOCC4)C(=O)O
InChI: InChI=1S/C25H30N2O4/c28-24(29)23-9-5-4-8-22(23)20-12-10-19(11-13-20)18-27(21-6-2-1-3-7-21)25(30)26-14-16-31-17-15-26/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H,28,29)/t22-,23+/m0/s1
SMILES: C[C@H](CC[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@]4([C@@]3(CC[C@@H](C4)O)C)O)C
InChI: InChI=1S/C28H48O4/c1-17(7-8-18(2)25(3,4)31)21-9-10-22-20-15-24(30)28(32)16-19(29)11-14-27(28,6)23(20)12-13-26(21,22)5/h17-23,29,31-32H,7-16H2,1-6H3/t17-,18+,19+,20+,21-,22+,23+,26-,27-,28+/m1/s1
SMILES: CCC[C@](C)([C@@H]1CC23CCC1([C@@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O
InChI: InChI=1S/C25H35NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,17-18,21,27-28H,5,8-14H2,1-4H3/t17-,18+,21-,22+,23?,24-,25?/m0/s1
SMILES: C1[C@H]2[C@](C(=O)O2)(O[C@@H]1SC3=CC=CC=C3)COCC4=CC=CC=C4
InChI: InChI=1S/C19H18O4S/c20-18-19(13-21-12-14-7-3-1-4-8-14)16(22-18)11-17(23-19)24-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17+,19+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC2=C(NC=N2)C(=O)N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H23N3O11/c1-7(22)27-5-11-13(28-8(2)23)14(29-9(3)24)15(30-10(4)25)18(31-11)32-17-12(16(19)26)20-6-21-17/h6,11,13-15,18H,5H2,1-4H3,(H2,19,26)(H,20,21)/t11-,13-,14+,15+,18-/m1/s1
SMILES: C[C@@]1(CC(=O)[C@H]([C@@H]([C@H]1C(=O)OC(C)(C)C)C2=CC(=CC=C2)O)C(=O)OC(C)(C)C)O
InChI: InChI=1S/C23H32O7/c1-21(2,3)29-19(26)17-15(25)12-23(7,28)18(20(27)30-22(4,5)6)16(17)13-9-8-10-14(24)11-13/h8-11,16-18,24,28H,12H2,1-7H3/t16-,17+,18-,23-/m0/s1
SMILES: CCC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC(=C(C=C3)C)Cl
InChI: InChI=1S/C15H17ClN2O3S2/c1-3-14(19)17-15-18(10-5-4-9(2)11(16)6-10)12-7-23(20,21)8-13(12)22-15/h4-6,12-13H,3,7-8H2,1-2H3/t12-,13-/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C#CC4=CC=CC=N4)N)O)O
InChI: InChI=1S/C19H19N7O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-23-12-16(20)24-11(25-17(12)26)7-6-10-5-3-4-8-22-10/h3-5,8-9,13-15,19,27-28H,2H2,1H3,(H,21,29)(H2,20,24,25)/t13-,14+,15-,19+/m0/s1
SMILES: C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1=CC=C(C=C1)C(=O)O
InChI: InChI=1S/C19H20FNO3.C7H6O2/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;8-7(9)6-4-2-1-3-5-6/h1-6,9,14,17,21H,7-8,10-12H2;1-5H,(H,8,9)/t14-,17-;/m0./s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N3CCCCC3)O)O
InChI: InChI=1S/C15H24N3O7P/c1-10-8-18(15(21)16-14(10)20)13-7-11(19)12(25-13)9-24-26(22,23)17-5-3-2-4-6-17/h8,11-13,19H,2-7,9H2,1H3,(H,22,23)(H,16,20,21)/t11-,12+,13+/m0/s1
SMILES: CC(=CCC/C(=C/CC/C(=C/C[C@]12[C@H](O1)[C@@H](C(=CC2=O)COC(=O)CC(C)(CC(=O)O)O)O)/C)/C)C
InChI: InChI=1S/C28H40O8/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-13-28-22(29)14-21(25(33)26(28)36-28)17-35-24(32)16-27(5,34)15-23(30)31/h8,10,12,14,25-26,33-34H,6-7,9,11,13,15-17H2,1-5H3,(H,30,31)/b19-10+,20-12+/t25-,26-,27?,28+/m1/s1
SMILES: C1[C@H]2[C@@H](C[C@](N2)([C@H]([C@@H]1O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C13H23NO9/c15-3-7-8(17)9(18)10(19)12(23-7)22-6-1-4-5(16)2-13(21,14-4)11(6)20/h4-12,14-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11-,12-,13+/m0/s1
SMILES: C[C@@H]1CCC[C@@]2([C@]1(CCC3=C2CC(C(=O)O3)C(=O)OC)C)C
InChI: InChI=1S/C18H26O4/c1-11-6-5-8-18(3)13-10-12(15(19)21-4)16(20)22-14(13)7-9-17(11,18)2/h11-12H,5-10H2,1-4H3/t11-,12?,17+,18+/m1/s1
SMILES: C1C[C@@H]2CN(C[C@@H]2NC1)C3=NC(=NC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])N.Cl
InChI: InChI=1S/C17H20N6O2.ClH/c18-17-20-14(11-3-1-5-13(7-11)23(24)25)8-16(21-17)22-9-12-4-2-6-19-15(12)10-22;/h1,3,5,7-8,12,15,19H,2,4,6,9-10H2,(H2,18,20,21);1H/t12-,15+;/m1./s1
SMILES: COC(=O)CCC1=CC=CC=C1C[C@H]2[C@@H]3CC[C@H]([C@H]2C4=NC(=CO4)C(=O)NC5=CC=CC=C5)O3
InChI: InChI=1S/C27H28N2O5/c1-32-24(30)14-11-17-7-5-6-8-18(17)15-20-22-12-13-23(34-22)25(20)27-29-21(16-33-27)26(31)28-19-9-3-2-4-10-19/h2-10,16,20,22-23,25H,11-15H2,1H3,(H,28,31)/t20-,22-,23+,25-/m0/s1
SMILES: CC1(O[C@H]([C@@](O1)(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=C)CO)C
InChI: InChI=1S/C28H30O4/c1-4-27(25(20-29)31-26(2,3)32-27)21-30-28(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h4-19,25,29H,1,20-21H2,2-3H3/t25-,27-/m0/s1
SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28+/m1/s1
SMILES: C[C@H]1[C@@H]2CC[C@]3(C=CC(=O)[C@@]([C@@H]3[C@@H]2OC1=O)(C)Br)C
InChI: InChI=1S/C15H19BrO3/c1-8-9-4-6-14(2)7-5-10(17)15(3,16)12(14)11(9)19-13(8)18/h5,7-9,11-12H,4,6H2,1-3H3/t8-,9-,11+,12+,14-,15+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)NCC3=CC4=C(C=CC=C4[N+](=O)[O-])C=C3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H48N4O6Si2/c1-31(2,3)43(7,8)40-21-27-26(42-44(9,10)32(4,5)6)19-29(41-27)35-17-16-28(34-30(35)37)33-20-22-14-15-23-12-11-13-25(36(38)39)24(23)18-22/h11-18,26-27,29H,19-21H2,1-10H3,(H,33,34,37)/t26-,27+,29+/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3[NH2+]2
InChI: InChI=1S/C19H27N3O5/c1-25-15-8-11(9-16(26-2)18(15)27-3)20-17(23)10-14-19(24)22-13-7-5-4-6-12(13)21-14/h8-9,12-14,21H,4-7,10H2,1-3H3,(H,20,23)(H,22,24)/p+1/t12-,13+,14-/m1/s1
SMILES: COC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)OC
InChI: InChI=1S/C17H18N2O6S/c1-23-11-9-26-16-13(15(21)19(16)14(11)17(22)24-2)18-12(20)8-25-10-6-4-3-5-7-10/h3-7,13,16H,8-9H2,1-2H3,(H,18,20)/t13-,16-/m1/s1
SMILES: CC(C)C1=C(C(=C2C(=C1)[C@@H]([C@@H]3C4[C@@]2(CCCC4(C)C)C(=O)O3)OC)O)O
InChI: InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18?,21-/m0/s1
SMILES: C1C(=C(N2[C@H](S1=O)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)/C=C/COC6=CC7=C(C=C6)C=CC(=O)O7
InChI: InChI=1S/C40H32N2O8S/c43-33(23-26-11-4-1-5-12-26)41-35-38(45)42-36(40(46)50-37(28-13-6-2-7-14-28)29-15-8-3-9-16-29)30(25-51(47)39(35)42)17-10-22-48-31-20-18-27-19-21-34(44)49-32(27)24-31/h1-21,24,35,37,39H,22-23,25H2,(H,41,43)/b17-10+/t35-,39-,51?/m1/s1
SMILES: C[N+]1(CC[C@H](O1)/C=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OCCF)/C4=NSC(=N4)N)SC2)C(=O)O)C
InChI: InChI=1S/C20H24FN7O6S2/c1-28(2)7-5-11(34-28)4-3-10-9-35-18-13(17(30)27(18)14(10)19(31)32)23-16(29)12(25-33-8-6-21)15-24-20(22)36-26-15/h3-4,11,13,18H,5-9H2,1-2H3,(H3-,22,23,24,26,29,31,32)/p+1/b4-3+,25-12-/t11-,13-,18-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)OCC=C)CN5CCC[C@H]5CO
InChI: InChI=1S/C35H42N2O6/c1-3-19-41-35(40)36-20-29-7-4-5-9-31(29)26-14-16-28(17-15-26)34-42-32(21-37-18-6-8-30(37)23-39)24(2)33(43-34)27-12-10-25(22-38)11-13-27/h3-5,7,9-17,24,30,32-34,38-39H,1,6,8,18-23H2,2H3,(H,36,40)/t24-,30+,32+,33+,34+/m1/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@H]3C[C@H]([C@@H](C[C@@H]3C2=O)Br)Br
InChI: InChI=1S/C15H15Br2NO2/c1-8-4-2-3-5-13(8)18-14(19)9-6-11(16)12(17)7-10(9)15(18)20/h2-5,9-12H,6-7H2,1H3/t9-,10-,11+,12+/m0/s1
SMILES: CCOC1=C(C=C2CCC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4O)C)O
InChI: InChI=1S/C21H30O3/c1-3-24-19-12-16-13(11-18(19)22)5-4-6-15-14(16)9-10-21(2)17(15)7-8-20(21)23/h11-12,14-15,17,20,22-23H,3-10H2,1-2H3/t14-,15+,17-,20-,21-/m0/s1