EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)[C@@H]2C[C@H]3C[C@H]2C=C3
InChI: InChI=1S/C20H26N2O5S/c1-3-22(4-2)28(25,26)17-9-7-16(8-10-17)21-19(23)13-27-20(24)18-12-14-5-6-15(18)11-14/h5-10,14-15,18H,3-4,11-13H2,1-2H3,(H,21,23)/t14-,15-,18-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C21H27N3O4S/c25-20-18-8-4-5-9-19(18)21(26)24(20)16-22-11-13-23(14-12-22)29(27,28)15-10-17-6-2-1-3-7-17/h1-3,6-7,10,15,18-19H,4-5,8-9,11-14,16H2/p+1/b15-10+/t18-,19-/m0/s1
SMILES: COC1=CN(N=C1C(=O)OCC(=O)N2CCC[C@@H]3[C@@H]2CCCC3)C4=CC=CC=C4
InChI: InChI=1S/C22H27N3O4/c1-28-19-14-25(17-10-3-2-4-11-17)23-21(19)22(27)29-15-20(26)24-13-7-9-16-8-5-6-12-18(16)24/h2-4,10-11,14,16,18H,5-9,12-13,15H2,1H3/t16-,18+/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC3=CC=C(C=C3)F
InChI: InChI=1S/C18H21FN2O4/c1-12-4-2-3-9-18(12)16(23)21(17(24)20-18)10-15(22)25-11-13-5-7-14(19)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,20,24)/t12-,18-/m0/s1
SMILES: C[C@]1(CC[C@@H]2[C@@]1(C=CC3=C4CC(C(=O)C=C4CC[C@H]23)(C)C)C)O
InChI: InChI=1S/C21H28O2/c1-19(2)12-16-13(11-18(19)22)5-6-15-14(16)7-9-20(3)17(15)8-10-21(20,4)23/h7,9,11,15,17,23H,5-6,8,10,12H2,1-4H3/t15-,17-,20-,21+/m0/s1
SMILES: C1=NC2=C(NN=C2C(=N1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OCC1=C(C(=O)[C@@H]2[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)O2)CO
InChI: InChI=1S/C20H38O5Si2/c1-19(2,3)26(7,8)23-12-14-13(11-21)15(22)17-18(24-17)16(14)25-27(9,10)20(4,5)6/h16-18,21H,11-12H2,1-10H3/t16-,17-,18+/m1/s1
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)CO)O)C
InChI: InChI=1S/C28H46O3/c1-17(2)18(3)6-7-19(4)22-8-9-23-26-24(11-12-27(22,23)5)28(16-29)13-10-21(30)14-20(28)15-25(26)31/h15,17,19,21-26,29-31H,3,6-14,16H2,1-2,4-5H3/t19-,21+,22-,23+,24+,25-,26+,27-,28-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)[C@@H](C)C(=O)NC3=CC(=CC=C3)Cl
InChI: InChI=1S/C18H22ClN3O3/c1-11-6-3-4-9-18(11)16(24)22(17(25)21-18)12(2)15(23)20-14-8-5-7-13(19)10-14/h5,7-8,10-12H,3-4,6,9H2,1-2H3,(H,20,23)(H,21,25)/t11-,12-,18+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)C(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H31NO3Si/c1-10(20-21(8,9)16(5,6)7)11-12(17-14(11)19)13(18)15(2,3)4/h10-12H,1-9H3,(H,17,19)/t10-,11-,12+/m1/s1
SMILES: CCCC[C@@H]1[C@H]([C@H](CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C2=CSC(=N2)C)/F)/C)C)O
InChI: InChI=1S/C29H44FNO5S/c1-7-8-12-22-27(34)19(3)11-9-10-18(2)13-14-24(23(30)15-21-17-37-20(4)31-21)36-26(33)16-25(32)29(5,6)28(22)35/h13,15,17,19,22,24-25,27,32,34H,7-12,14,16H2,1-6H3/b18-13-,23-15-/t19-,22+,24-,25-,27-/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]3([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC/C(=N/OC4=CC5=CC=CC=C5C=C4)/CO3)C)O[C@H]6[C@@H]([C@H](C[C@H](O6)C)N(C)C)O)C)C)C)NC(=O)O2)C
InChI: InChI=1S/C43H61N3O11/c1-11-33-43(8)37(44-41(50)56-43)25(4)34(47)23(2)20-42(7)38(55-40-35(48)32(46(9)10)18-24(3)53-40)26(5)36(27(6)39(49)54-33)51-21-30(22-52-42)45-57-31-17-16-28-14-12-13-15-29(28)19-31/h12-17,19,23-27,32-33,35-38,40,48H,11,18,20-22H2,1-10H3,(H,44,50)/b45-30-/t23-,24-,25+,26+,27-,32+,33-,35-,36+,37-,38-,40+,42-,43-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=S)NN3C(=O)C4=CC=CC=C4NC3=O
InChI: InChI=1S/C16H18N4O2S/c21-14-11-3-1-2-4-12(11)18-16(22)20(14)19-15(23)17-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2,(H,18,22)(H2,17,19,23)/t9-,10+,13-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC=C)SC3=NC(=NN3C)C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C22H24N4O5S/c1-5-10-31-21(29)18-16(11-15-17(12(2)27)20(28)26(15)18)32-22-23-19(24-25(22)3)13-6-8-14(30-4)9-7-13/h5-9,12,15,17,27H,1,10-11H2,2-4H3/t12-,15-,17-/m1/s1
SMILES: CC(C)[C@@H]1CC[C@]2([C@H]([C@@H]1OC(=O)C)C(=C)C[C@H]([C@@H]2O)O)C
InChI: InChI=1S/C17H28O4/c1-9(2)12-6-7-17(5)14(15(12)21-11(4)18)10(3)8-13(19)16(17)20/h9,12-16,19-20H,3,6-8H2,1-2,4-5H3/t12-,13+,14-,15+,16-,17-/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H](C(C(=O)N[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)NCCCN4C=NC5=CC=CC=C54)C
InChI: InChI=1S/C41H64N6O10/c1-12-31-41(8)34(47(39(52)57-41)43-18-15-19-46-22-42-28-16-13-14-17-29(28)46)27(6)36(50)44-23(2)21-40(7,53-11)35(25(4)32(48)26(5)37(51)55-31)56-38-33(49)30(45(9)10)20-24(3)54-38/h13-14,16-17,22-27,30-31,33-35,38,43,49H,12,15,18-21H2,1-11H3,(H,44,50)/t23-,24-,25+,26-,27?,30+,31-,33-,34-,35-,38+,40+,41-/m1/s1
SMILES: CC(C)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC=C3Cl)F
InChI: InChI=1S/C21H19ClFN5/c1-12(2)28-7-6-13-14(8-24)20(27)21(10-25,11-26)19(15(13)9-28)18-16(22)4-3-5-17(18)23/h3-6,12,15,19H,7,9,27H2,1-2H3/t15-,19-/m0/s1
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)C5=CC=C(C=C5)C(=O)C)C6=C(C=C(C=C6)OC)O
InChI: InChI=1S/C32H27NO7/c1-15-12-25(35)24-14-23-20(27(29(24)30(15)37)21-9-8-19(40-3)13-26(21)36)10-11-22-28(23)32(39)33(31(22)38)18-6-4-17(5-7-18)16(2)34/h4-10,12-13,22-23,27-28,36H,11,14H2,1-3H3/t22-,23+,27+,28-/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2OC(=O)C4=CC(=CC=C4)S(=O)(=O)N)CCC5=C(C(=O)CC[C@]35C)O
InChI: InChI=1S/C26H33NO6S/c1-25-13-11-21(28)23(29)20(25)7-6-17-18-8-9-22(26(18,2)12-10-19(17)25)33-24(30)15-4-3-5-16(14-15)34(27,31)32/h3-5,14,17-19,22,29H,6-13H2,1-2H3,(H2,27,31,32)/t17?,18?,19?,22-,25+,26-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@@]12CCC=C(C1=C[C@@]34[C@@H](O3)C[C@@H]([C@]4(CC2)C)C(C)C)C(=O)OC
InChI: InChI=1S/C26H42O4Si/c1-8-31(9-2,10-3)30-25-13-11-12-19(23(27)28-7)21(25)17-26-22(29-26)16-20(18(4)5)24(26,6)14-15-25/h12,17-18,20,22H,8-11,13-16H2,1-7H3/t20-,22+,24-,25-,26+/m1/s1
SMILES: CN1CC[C@]23CCC[C@H]([C@H]2[C@@H]1CC4=C3C(=C(C=C4)O)O)O
InChI: InChI=1S/C17H23NO3/c1-18-8-7-17-6-2-3-12(19)15(17)11(18)9-10-4-5-13(20)16(21)14(10)17/h4-5,11-12,15,19-21H,2-3,6-9H2,1H3/t11-,12+,15+,17-/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)NC6=C(C=C(C=C6)Cl)Cl)C7=CC=C(C=C7)OC)C(=O)NC4=O)O
InChI: InChI=1S/C34H29Cl2N3O6/c1-16-13-17(3-12-27(16)40)29-21-9-10-22-28(31(42)37-30(22)41)23(21)15-24-32(43)39(38-26-11-6-19(35)14-25(26)36)33(44)34(24,29)18-4-7-20(45-2)8-5-18/h3-9,11-14,22-24,28-29,38,40H,10,15H2,1-2H3,(H,37,41,42)/t22-,23+,24-,28-,29-,34+/m0/s1
SMILES: CC#C[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H](C3=C4CCC5(C[C@@]4(CC[C@@H]23)O)OCCO5)C6=CC=C(C=C6)C(C)(C)C)C)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C39H58O5Si/c1-11-18-39(41)32(44-45(9,10)35(5,6)7)23-31-28-16-19-37(40)25-38(42-21-22-43-38)20-17-30(37)33(28)29(24-36(31,39)8)26-12-14-27(15-13-26)34(2,3)4/h12-15,28-29,31-32,40-41H,16-17,19-25H2,1-10H3/t28-,29+,31-,32+,36-,37+,39-/m0/s1
SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O[C@@]16[C@@H](C[C@@H](CN6)CO)O
InChI: InChI=1S/C27H45NO4/c1-15-24-22(32-27(15)23(31)10-16(14-29)13-28-27)12-21-19-5-4-17-11-18(30)6-8-25(17,2)20(19)7-9-26(21,24)3/h15-24,28-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N=C=N[C@@H](COC(=O)C)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H38N2O16/c1-12(31)37-9-18(20-22(40-15(4)34)25-27(44-20)46-28(7,8)45-25)29-11-30-26-24(42-17(6)36)23(41-16(5)35)21(39-14(3)33)19(43-26)10-38-13(2)32/h18-27H,9-10H2,1-8H3/t18-,19+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1
SMILES: C[C@@H]1[C@H](C[C@@H]2C/C=C/C=C/C(=O)O[C@@H]3C[C@@H](/C=C/C/C=C/C(=C\[C@H]1O2)/C)O[C@H]([C@]3(C)CO)C/C=C\CCO)O
InChI: InChI=1S/C32H46O7/c1-23-13-7-4-8-15-26-21-30(32(3,22-34)29(38-26)16-10-6-12-18-33)39-31(36)17-11-5-9-14-25-20-27(35)24(2)28(19-23)37-25/h5-11,13,15,17,19,24-30,33-35H,4,12,14,16,18,20-22H2,1-3H3/b9-5+,10-6-,13-7+,15-8+,17-11+,23-19-/t24-,25+,26-,27+,28-,29+,30-,32+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CN([C@@H]1C2=CC=C(C=C2)OCCOC(C)C)C(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C30H39NO8/c1-7-34-28(32)26-23(21-10-13-24-25(16-21)38-18-37-24)17-31(29(33)39-30(4,5)6)27(26)20-8-11-22(12-9-20)36-15-14-35-19(2)3/h8-13,16,19,23,26-27H,7,14-15,17-18H2,1-6H3/t23-,26-,27+/m0/s1
SMILES: CC(C)(C)[C@H]1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C=C3)OC
InChI: InChI=1S/C24H26N4O/c1-23(2,3)16-7-10-18-19(11-16)21(15-5-8-17(29-4)9-6-15)24(13-26,14-27)22(28)20(18)12-25/h5-6,8-10,16,19-21,28H,7,11H2,1-4H3/t16-,19-,20?,21-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1C3=CN4C=NC(=C4S3)SC)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C16H17N3O4S2/c1-6-9(8-4-18-5-17-13(24-3)15(18)25-8)12(16(22)23)19-11(6)10(7(2)20)14(19)21/h4-7,10-11,20H,1-3H3,(H,22,23)/t6-,7+,10+,11+/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C32H32N2O3/c1-18(2)17-25(30(35)33-19(3)20-11-5-4-6-12-20)34-31(36)28-26-21-13-7-8-14-22(21)27(29(28)32(34)37)24-16-10-9-15-23(24)26/h4-16,18-19,25-29H,17H2,1-3H3,(H,33,35)/t19-,25+,26?,27?,28-,29+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2C[NH+](CC3)C)C(=O)NC4=CC(=CC=C4)Cl
InChI: InChI=1S/C20H22ClN3O/c1-13-6-7-18-16(10-13)17-12-23(2)9-8-19(17)24(18)20(25)22-15-5-3-4-14(21)11-15/h3-7,10-11,17,19H,8-9,12H2,1-2H3,(H,22,25)/p+1/t17-,19-/m0/s1
SMILES: C1[C@H]([C@@H]([C@H](N1)C(=O)O)CC(=O)O)C2=CSC(=N2)N
InChI: InChI=1S/C10H13N3O4S/c11-10-13-6(3-18-10)5-2-12-8(9(16)17)4(5)1-7(14)15/h3-5,8,12H,1-2H2,(H2,11,13)(H,14,15)(H,16,17)/t4-,5+,8-/m0/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C3=CC(=NN3)C4=CC=CC=C4)/C)[C@H](C)O
InChI: InChI=1S/C25H34N2O5/c1-14(9-19-12-20(27-26-19)17-7-5-4-6-8-17)10-21-24(30)23(29)18(13-31-21)11-22-25(32-22)15(2)16(3)28/h4-9,12,15-16,18,21-25,28-30H,10-11,13H2,1-3H3,(H,26,27)/b14-9+/t15-,16-,18-,21-,22-,23+,24-,25-/m0/s1
SMILES: CCCC1=CC(=C(S1)NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C3=C(C)C)C(=O)OCC
InChI: InChI=1S/C22H29NO5S/c1-5-7-12-10-15(22(27)28-6-2)20(29-12)23-19(24)17-13-8-9-14(16(13)11(3)4)18(17)21(25)26/h10,13-14,17-18H,5-9H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,17+,18-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C[C@H](C[C@@H]3CC(=O)OC)O
InChI: InChI=1S/C25H34O4Si/c1-25(2,3)30(22-11-7-5-8-12-22,23-13-9-6-10-14-23)29-18-20-16-21(26)15-19(20)17-24(27)28-4/h5-14,19-21,26H,15-18H2,1-4H3/t19-,20-,21+/m1/s1
SMILES: C[NH+]1CC[C@]([C@@H](C1)C(=O)CC2=CC=CO2)(C3=CC=CO3)O
InChI: InChI=1S/C16H19NO4/c1-17-7-6-16(19,15-5-3-9-21-15)13(11-17)14(18)10-12-4-2-8-20-12/h2-5,8-9,13,19H,6-7,10-11H2,1H3/p+1/t13-,16-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]([C@H]1OC)CC(=C)C(=O)C[C@@H]3[C@]([C@H]2OCC4=CC=C(C=C4)OC)(C=CC3(C)C)C
InChI: InChI=1S/C29H40O4/c1-18-14-22-23(15-19(2)26(22)32-7)27(33-17-20-8-10-21(31-6)11-9-20)29(5)13-12-28(3,4)25(29)16-24(18)30/h8-13,19,22-23,25-27H,1,14-17H2,2-7H3/t19-,22+,23+,25+,26+,27+,29-/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCC)O)O)O)O)O)O
InChI: InChI=1S/C40H74O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-31(41)49-27-29-33(43)35(45)37(47)39(51-29)53-40-38(48)36(46)34(44)30(52-40)28-50-32(42)26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-40,43-48H,3-28H2,1-2H3/t29-,30-,33-,34-,35+,36+,37-,38-,39-,40-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CC4=CCCCC4)[C@@]5(C2=O)[C@H]([C@@H]6C(=O)O[C@H]([C@H](N6[C@H]5C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)NCC=C
InChI: InChI=1S/C55H52N4O7/c1-3-32-56-51(61)46-48-52(62)66-49(41-24-14-7-15-25-41)47(40-22-12-6-13-23-40)59(48)50(42-26-16-17-27-45(42)65-34-33-60)55(46)43-35-38(29-28-37-18-8-4-9-19-37)30-31-44(43)58(53(55)63)54(64)57-36(2)39-20-10-5-11-21-39/h3,5-7,10-18,20-27,30-31,35-36,46-50,60H,1,4,8-9,19,32-34H2,2H3,(H,56,61)(H,57,64)/t36-,46-,47-,48-,49+,50+,55-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2
InChI: InChI=1S/C22H32N2O4/c1-15(2)21(24-19(25)13-17-10-5-4-6-11-17)22(27)28-14-20(26)23-18-12-8-7-9-16(18)3/h4-6,10-11,15-16,18,21H,7-9,12-14H2,1-3H3,(H,23,26)(H,24,25)/t16-,18-,21-/m0/s1
SMILES: C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3([C@@H](C[C@@H](C5)O)O)CO)O)OC(=O)C[131I]
InChI: InChI=1S/C25H35IO9/c1-22-9-17(35-20(31)10-26)21-16(25(22,33)5-3-15(22)13-6-19(30)34-11-13)2-4-23(32)8-14(28)7-18(29)24(21,23)12-27/h6,14-18,21,27-29,32-33H,2-5,7-12H2,1H3/t14-,15+,16+,17+,18+,21+,22+,23-,24+,25-/m0/s1/i26+4
SMILES: C[C@H](CCC(=O)NCCC1=CN=CN1)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C
InChI: InChI=1S/C29H47N3O4/c1-17(4-7-26(36)31-11-9-19-15-30-16-32-19)21-5-6-22-27-23(14-25(35)29(21,22)3)28(2)10-8-20(33)12-18(28)13-24(27)34/h15-18,20-25,27,33-35H,4-14H2,1-3H3,(H,30,32)(H,31,36)/t17-,18+,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]5[C@H](C4)C5(F)F)C)C
InChI: InChI=1S/C22H32F2O2/c1-12(25)26-19-7-6-15-14-5-4-13-10-17-18(22(17,23)24)11-21(13,3)16(14)8-9-20(15,19)2/h13-19H,4-11H2,1-3H3/t13-,14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O.O
InChI: InChI=1S/C12H17N3O4S.H2O/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2/t6-,7-,9-;/m1./s1
SMILES: CC(C)(C)N1C[C@H]([C@@H](C1)C(=O)N)C2=C(C=C(C=C2)F)F
InChI: InChI=1S/C15H20F2N2O/c1-15(2,3)19-7-11(12(8-19)14(18)20)10-5-4-9(16)6-13(10)17/h4-6,11-12H,7-8H2,1-3H3,(H2,18,20)/t11-,12+/m0/s1
SMILES: CCCCCCCCCCCCCCCCOC1C(C(=O)NC(=O)N1[C@@H]2C[C@H]([C@@H](O2)CO)N=[N+]=[N-])(C)Cl
InChI: InChI=1S/C26H46ClN5O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36-24-26(2,27)23(34)29-25(35)32(24)22-18-20(30-31-28)21(19-33)37-22/h20-22,24,33H,3-19H2,1-2H3,(H,29,34,35)/t20-,21+,22+,24?,26?/m1/s1
SMILES: CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC(=N2)C(=O)N)O)O
InChI: InChI=1S/C12H18N4O6/c1-2-3-7(17)21-4-6-8(18)9(19)12(22-6)16-5-14-11(15-16)10(13)20/h5-6,8-9,12,18-19H,2-4H2,1H3,(H2,13,20)/t6-,8-,9+,12-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OCOC)CCC4=C3C=CC(=C4CCN5C(=O)C6=CC=CC=C6C5=O)OCOC
InChI: InChI=1S/C32H39NO6/c1-32-16-14-22-20-10-12-28(38-18-36-2)24(15-17-33-30(34)25-6-4-5-7-26(25)31(33)35)21(20)8-9-23(22)27(32)11-13-29(32)39-19-37-3/h4-7,10,12,22-23,27,29H,8-9,11,13-19H2,1-3H3/t22-,23-,27+,29+,32+/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=CC=C5)OC(=O)C6=CC=C(C=C6)F
InChI: InChI=1S/C31H23FN2O6/c1-38-25-18-20(14-17-24(25)39-31(37)19-12-15-21(32)16-13-19)27-26-28(40-34(27)23-10-6-3-7-11-23)30(36)33(29(26)35)22-8-4-2-5-9-22/h2-18,26-28H,1H3/t26-,27-,28-/m0/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3CN4CCN(CC4)C5=CC=C(C=C5)OC
InChI: InChI=1S/C26H36N2O3/c1-18-5-4-10-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-11-13-28(14-12-27)19-6-8-20(30-3)9-7-19/h6-9,21-24H,1,4-5,10-17H2,2-3H3/t21-,22-,23+,24+,26-/m0/s1
SMILES: C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@H]([C@H](N2[C@H]([C@@]13C4=CC=CC=C4N(C3=O)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C44H36N4O9/c1-2-25-45-40(50)35-37-41(51)57-38(29-13-7-4-8-14-29)36(28-11-5-3-6-12-28)47(37)39(30-19-23-32(49)24-20-30)44(35)33-15-9-10-16-34(33)46(42(44)52)43(53)56-26-27-17-21-31(22-18-27)48(54)55/h2-24,35-39,49H,1,25-26H2,(H,45,50)/t35-,36-,37-,38+,39+,44-/m1/s1
SMILES: CCO[C@@]12CC[C@@H]([C@H]([C@@H]1C(=O)O)C)[C@@H](C2)N3CCC4=CC=CC=C43
InChI: InChI=1S/C20H27NO3/c1-3-24-20-10-8-15(13(2)18(20)19(22)23)17(12-20)21-11-9-14-6-4-5-7-16(14)21/h4-7,13,15,17-18H,3,8-12H2,1-2H3,(H,22,23)/t13-,15+,17-,18-,20-/m1/s1
SMILES: CSCC[C@H](C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=N2)C(=O)N)O)O)N
InChI: InChI=1S/C13H21N5O6S/c1-25-3-2-6(14)13(22)23-4-7-8(19)9(20)12(24-7)18-5-16-11(17-18)10(15)21/h5-9,12,19-20H,2-4,14H2,1H3,(H2,15,21)/t6-,7-,8-,9-,12-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@H]1CC[C@H](C2)O)CC[C@]4([C@H]3CC[C@H]4C#N)C
InChI: InChI=1S/C20H31NO/c1-19-9-7-16-15(17(19)6-4-14(22)11-19)8-10-20(2)13(12-21)3-5-18(16)20/h13-18,22H,3-11H2,1-2H3/t13-,14+,15-,16+,17+,18-,19+,20+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2C[NH+](CC3)C)C(=O)C4=CC=CC=C4Br
InChI: InChI=1S/C20H21BrN2O/c1-13-7-8-18-15(11-13)16-12-22(2)10-9-19(16)23(18)20(24)14-5-3-4-6-17(14)21/h3-8,11,16,19H,9-10,12H2,1-2H3/p+1/t16-,19+/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C29H24N2O4/c1-2-34-22-17-15-20(16-18-22)30-28(32)25-26(24-14-8-10-19-9-6-7-13-23(19)24)31(35-27(25)29(30)33)21-11-4-3-5-12-21/h3-18,25-27H,2H2,1H3/t25-,26-,27+/m1/s1
SMILES: CC(=C1[C@H]2[C@H]3[C@@]2([C@@]4([C@H]1[C@]34COC)COC)COC)C
InChI: InChI=1S/C16H24O3/c1-9(2)10-11-13-14(11,6-17-3)16(8-19-5)12(10)15(13,16)7-18-4/h11-13H,6-8H2,1-5H3/t11-,12+,13-,14+,15+,16-/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H](C(C2(C)C)C[C@@H]1OC(=O)C)O)OC(=O)CC(C4=CC=CC=C4)NC)C)O)OC(=O)C
InChI: InChI=1S/C34H47NO8/c1-18-25(43-27(38)17-24(35-8)22-12-10-9-11-13-22)14-15-34(7)28(18)30(39)23-16-26(41-20(3)36)19(2)29(33(23,5)6)31(32(34)40)42-21(4)37/h9-13,23-26,28,30-32,35,39-40H,1,14-17H2,2-8H3/t23?,24?,25-,26-,28-,30+,31+,32-,34+/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC(=O)[C@]34[C@@H]2C(=O)O[C@@]5(O3)C[C@@H]6[C@](CCCC6(C)C)([C@H]([C@@H]5CC4)C(=O)O)C)(C)C
InChI: InChI=1S/C30H44O6/c1-25(2)10-8-13-28(6)18(25)15-20(31)29-14-9-17-21(23(32)33)27(5)12-7-11-26(3,4)19(27)16-30(17,36-29)35-24(34)22(28)29/h17-19,21-22H,7-16H2,1-6H3,(H,32,33)/t17-,18-,19-,21+,22+,27-,28-,29+,30+/m0/s1
SMILES: C/C=C/[C@@H]1[C@H]2[C@H](C3=CC=CC4=C3C2=CC=C4)ON1C
InChI: InChI=1S/C17H17NO/c1-3-6-14-16-12-9-4-7-11-8-5-10-13(15(11)12)17(16)19-18(14)2/h3-10,14,16-17H,1-2H3/b6-3+/t14-,16+,17+/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=NSC(=N3)N)C(=O)O)C[N+]4=C5C=CC=CN5C=C4
InChI: InChI=1S/C21H18N8O7S2/c22-21-24-16(26-38-21)13(25-36-8-12(30)31)17(32)23-14-18(33)29-15(20(34)35)10(9-37-19(14)29)7-28-6-5-27-4-2-1-3-11(27)28/h1-6,14,19H,7-9H2,(H4-,22,23,24,26,30,31,32,34,35)/p+1/b25-13-/t14-,19-/m1/s1
SMILES: COC1=CC(=CC(=C1)NC2=C(C3=NC(=NN3C(=N2)N[C@@H]4CCCC[C@@H]4N)C5=CC=CS5)C(=O)N)OC
InChI: InChI=1S/C24H28N8O3S/c1-34-14-10-13(11-15(12-14)35-2)27-22-19(20(26)33)23-29-21(18-8-5-9-36-18)31-32(23)24(30-22)28-17-7-4-3-6-16(17)25/h5,8-12,16-17,27H,3-4,6-7,25H2,1-2H3,(H2,26,33)(H,28,30)/t16-,17+/m0/s1
SMILES: C1=CC=C(C=C1)CO/N=C\2/[C@@H]([C@H](OC3=CC=CC=C32)C4=CC=CC=C4)O
InChI: InChI=1S/C22H19NO3/c24-21-20(23-25-15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)26-22(21)17-11-5-2-6-12-17/h1-14,21-22,24H,15H2/b23-20+/t21-,22+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]([C@@H](CC3=CC(=C(C(=C23)OC)O)OC)COC(=O)C4=CC(=C(C(=C4)OC)O)OC)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)OC(=O)C6=CC(=C(C(=C6)OC)O)OC
InChI: InChI=1S/C46H54O21/c1-56-26-11-21(12-27(57-2)36(26)48)34-25(19-65-46-43(41(53)39(51)33(17-47)66-46)67-45(55)23-15-30(60-5)38(50)31(16-23)61-6)24(9-20-10-32(62-7)40(52)42(63-8)35(20)34)18-64-44(54)22-13-28(58-3)37(49)29(14-22)59-4/h10-16,24-25,33-34,39,41,43,46-53H,9,17-19H2,1-8H3/t24-,25-,33+,34+,39+,41-,43+,46+/m0/s1
SMILES: CC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)OC(=O)C
InChI: InChI=1S/C22H21NO3/c1-13(24)16-8-11-21-20(12-16)18-4-3-5-19(18)22(23-21)15-6-9-17(10-7-15)26-14(2)25/h3-4,6-12,18-19,22-23H,5H2,1-2H3/t18-,19-,22-/m0/s1
SMILES: COC[C@H]1[C@@H](OC2=C(O1)C=C(C(=C2)OC)C=O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C19H18O7/c1-21-9-18-19(11-3-4-13-15(5-11)24-10-23-13)26-17-7-14(22-2)12(8-20)6-16(17)25-18/h3-8,18-19H,9-10H2,1-2H3/t18-,19-/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)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CN(C)CC6=CC=CC=C6
InChI: InChI=1S/C45H49N3O6/c1-31-41(29-48(2)28-33-14-8-5-9-15-33)53-44(54-42(31)36-22-20-34(30-49)21-23-36)39-19-11-18-38(26-39)37-17-10-16-35(24-37)27-46-45(51)47-40(43(50)52-3)25-32-12-6-4-7-13-32/h4-24,26,31,40-42,44,49H,25,27-30H2,1-3H3,(H2,46,47,51)/t31-,40-,41+,42+,44+/m0/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)NC(=O)NCC4=CC=CC=C4)CN5CCCCCCC5
InChI: InChI=1S/C34H43N3O4/c1-25-31(23-37-20-8-3-2-4-9-21-37)40-33(41-32(25)28-14-12-27(24-38)13-15-28)29-16-18-30(19-17-29)36-34(39)35-22-26-10-6-5-7-11-26/h5-7,10-19,25,31-33,38H,2-4,8-9,20-24H2,1H3,(H2,35,36,39)/t25-,31+,32+,33+/m0/s1
SMILES: C[C@H](C1=C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)N3C=NC4=C(N=CN=C43)N)O[Si](C)(C)C
InChI: InChI=1S/C18H27N5O3Si/c1-10(26-27(4,5)6)11-7-12(15-14(11)24-18(2,3)25-15)23-9-22-13-16(19)20-8-21-17(13)23/h7-10,12,14-15H,1-6H3,(H2,19,20,21)/t10-,12-,14-,15+/m1/s1
SMILES: CC1=CC(=C(C=C1Br)C)NC(=O)CCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C20H21BrN2O3/c1-10-8-15(11(2)7-14(10)21)22-16(24)5-6-23-19(25)17-12-3-4-13(9-12)18(17)20(23)26/h3-4,7-8,12-13,17-18H,5-6,9H2,1-2H3,(H,22,24)/t12-,13+,17-,18-/m0/s1
SMILES: CCC[C@@H]1[C@H]2[C@@H](C(=O)N(C2=O)C3=CC=CC=C3)ON1C4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C20H18Cl2N2O3/c1-2-6-16-17-18(27-24(16)13-9-10-14(21)15(22)11-13)20(26)23(19(17)25)12-7-4-3-5-8-12/h3-5,7-11,16-18H,2,6H2,1H3/t16-,17+,18+/m1/s1
SMILES: CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI: InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23-,24+,25-,26+,27+,28-,29+/m0/s1
SMILES: CC(=O)O[C@H]1CC([C@@H]([C@H]2[C@@H]1OC(O2)(C)C)OC(=O)C)C(=O)OC
InChI: InChI=1S/C15H22O8/c1-7(16)20-10-6-9(14(18)19-5)11(21-8(2)17)13-12(10)22-15(3,4)23-13/h9-13H,6H2,1-5H3/t9?,10-,11-,12+,13-/m0/s1
SMILES: C[C@H]1C(=O)CCC2[C@@]1(CCC3[C@]2(CCC4([C@@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)C)O)C)C)C)C
InChI: InChI=1S/C30H50O2/c1-19-20(31)9-10-21-26(19,4)12-11-22-27(21,5)15-16-29(7)23-17-25(2,3)13-14-28(23,6)24(32)18-30(22,29)8/h19,21-24,32H,9-18H2,1-8H3/t19-,21?,22?,23+,24-,26+,27-,28-,29?,30+/m0/s1
SMILES: CC[C@@H]1[C@@]2(C3C(C(=O)O2)N(CC3(C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC/C=C/C5=CC6=CC=CC=C6N=C5)C)C)C)C
InChI: InChI=1S/C45H62FN3O10/c1-12-32-45(8)35-33(39(53)59-45)49(11)24-42(35,5)36(51)25(2)22-43(6,55-19-15-16-28-21-29-17-13-14-18-30(29)47-23-28)38(27(4)37(52)44(7,46)41(54)57-32)58-40-34(50)31(48(9)10)20-26(3)56-40/h13-18,21,23,25-27,31-35,38,40,50H,12,19-20,22,24H2,1-11H3/b16-15+/t25-,26-,27+,31+,32-,33?,34-,35?,38-,40+,42?,43+,44+,45-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(=O)CC(=O)[Si](C)(C)C)OCC3=CC=CC=C3)C
InChI: InChI=1S/C20H28O6Si/c1-20(2)25-18-17(23-12-13-9-7-6-8-10-13)16(24-19(18)26-20)14(21)11-15(22)27(3,4)5/h6-10,16-19H,11-12H2,1-5H3/t16-,17+,18-,19-/m1/s1
SMILES: CC1=NC=C(C(=C1O)CO)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3/t9-,11-,12+,13-,14-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2OP(=O)(O)O)CO)O[C@H]3[C@H]4[C@@H]([C@@H]([C@H]([C@@H]3OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OP(=O)(O4)O)N
InChI: InChI=1S/C40H47NO15P2/c41-31-33(48-22-26-13-5-1-6-14-26)32(54-57(43,44)45)30(21-42)52-40(31)53-37-35(50-24-28-17-9-3-10-18-28)34(49-23-27-15-7-2-8-16-27)36(38-39(37)56-58(46,47)55-38)51-25-29-19-11-4-12-20-29/h1-20,30-40,42H,21-25,41H2,(H,46,47)(H2,43,44,45)/t30-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-/m1/s1
SMILES: CCC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C22H29N3O5/c1-4-16-8-10-17(11-9-16)23-19(27)15(3)30-18(26)13-25-20(28)22(24-21(25)29)12-6-5-7-14(22)2/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,27)(H,24,29)/t14-,15+,22-/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1[C@@H](C[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)O)(C)C)O
InChI: InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-21-27(5)11-10-22(32)26(3,4)23(27)20(31)17-29(21,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23-,27+,28+,29+,30-/m0/s1
SMILES: C1C[C@@H]2[C@@H]3[C@H]([C@H](N2C1)C(=O)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC6=C(C=C5)OCCO6
InChI: InChI=1S/C24H22N2O5/c27-22(14-5-2-1-3-6-14)21-20-19(16-7-4-10-25(16)21)23(28)26(24(20)29)15-8-9-17-18(13-15)31-12-11-30-17/h1-3,5-6,8-9,13,16,19-21H,4,7,10-12H2/t16-,19-,20-,21+/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=C(C(=CC=C6)F)O)C(=O)C(=CC5=O)C)(O)O
InChI: InChI=1S/C29H23BFNO7/c1-13-10-22(33)20-12-19-16(23(25(20)26(13)34)17-6-3-7-21(31)27(17)35)8-9-18-24(19)29(37)32(28(18)36)15-5-2-4-14(11-15)30(38)39/h2-8,10-11,18-19,23-24,35,38-39H,9,12H2,1H3/t18-,19+,23+,24-/m0/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@@H](O3)C4=C([C@@H]2O1)NC(=O)C5=C(C6=C(C=C45)OCO6)OC)C
InChI: InChI=1S/C18H17NO7/c1-18(2)25-14-10-8(13-15(24-13)16(14)26-18)6-4-7-11(23-5-22-7)12(21-3)9(6)17(20)19-10/h4,13-16H,5H2,1-3H3,(H,19,20)/t13-,14-,15-,16-/m0/s1