EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N
InChI: InChI=1S/C37H61N11O13S/c1-19(2)13-20(14-28(51)48-61)34(57)45-23(15-31(54)55)36(59)44-22(10-11-26(38)49)35(58)42-16-29(52)41-17-30(53)43-21(33(39)56)7-5-6-12-40-27(50)9-4-3-8-25-32-24(18-62-25)46-37(60)47-32/h19-25,32,61H,3-18H2,1-2H3,(H2,38,49)(H2,39,56)(H,40,50)(H,41,52)(H,42,58)(H,43,53)(H,44,59)(H,45,57)(H,48,51)(H,54,55)(H2,46,47,60)/t20?,21-,22-,23-,24-,25-,32-/m0/s1
SMILES: C1=CC=C2[C@@H]3[C@@H]4[C@H]([C@H](N3C=CC2=C1)C(=O)C5=CC=CO5)C(=O)N(C4=O)C6=CC=CC=C6F
InChI: InChI=1S/C25H17FN2O4/c26-16-8-3-4-9-17(16)28-24(30)19-20(25(28)31)22(23(29)18-10-5-13-32-18)27-12-11-14-6-1-2-7-15(14)21(19)27/h1-13,19-22H/t19-,20+,21+,22-/m0/s1
SMILES: C1[C@]23C=C[C@H](O2)[C@H]([C@@H]3C(=O)N1CC4=CC=NC=C4)C(=O)O
InChI: InChI=1S/C15H14N2O4/c18-13-12-11(14(19)20)10-1-4-15(12,21-10)8-17(13)7-9-2-5-16-6-3-9/h1-6,10-12H,7-8H2,(H,19,20)/t10-,11+,12+,15-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1COC([C@H]1CC=C)O[Si](C)(C)C
InChI: InChI=1S/C16H34O3Si2/c1-10-11-13-14(18-21(8,9)16(2,3)4)12-17-15(13)19-20(5,6)7/h10,13-15H,1,11-12H2,2-9H3/t13-,14-,15?/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)NC(=[NH+]2)NC(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C14H16ClN3O/c15-10-7-5-9(6-8-10)13(19)18-14-16-11-3-1-2-4-12(11)17-14/h5-8,11-12H,1-4H2,(H2,16,17,18,19)/p+1/t11-,12+
SMILES: CC1=CN(C(=O)N(C1=O)COCC2=CC=CC=C2)[C@H]3C[C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)CC(=O)O
InChI: InChI=1S/C26H38N2O7Si/c1-18-14-27(25(32)28(24(18)31)17-33-15-19-10-8-7-9-11-19)22-12-20(13-23(29)30)21(35-22)16-34-36(5,6)26(2,3)4/h7-11,14,20-22H,12-13,15-17H2,1-6H3,(H,29,30)/t20-,21-,22-/m1/s1
SMILES: C[NH+]1CCN2[C@H](C1)[C@]3(CC4=C2C=CC=C4Cl)C(=O)NC(=O)N(C3=O)CCOC
InChI: InChI=1S/C19H23ClN4O4/c1-22-6-7-23-14-5-3-4-13(20)12(14)10-19(15(23)11-22)16(25)21-18(27)24(17(19)26)8-9-28-2/h3-5,15H,6-11H2,1-2H3,(H,21,25,27)/p+1/t15-,19-/m1/s1
SMILES: C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H26N2O5/c31-24-18-23(35-26(24)30-17-16-25(32)29-27(30)33)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,31H,18-19H2,(H,29,32,33)/t23-,24+,26+/m0/s1
SMILES: C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11+,12-,15-/m1/s1
SMILES: C[C@@H]1CC[C@H](C[C@@H]1C)OC(=O)C2=C(NC(=O)N[C@@H]2C3=CC=C(C=C3)Br)C
InChI: InChI=1S/C20H25BrN2O3/c1-11-4-9-16(10-12(11)2)26-19(24)17-13(3)22-20(25)23-18(17)14-5-7-15(21)8-6-14/h5-8,11-12,16,18H,4,9-10H2,1-3H3,(H2,22,23,25)/t11-,12+,16-,18-/m1/s1
SMILES: CC(=O)[C@@]12C3=CC=CC=C3[C@H]4[C@@]1([C@]4(C5=CC=CC=C25)C(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C32H22O3/c1-20(33)30-24-17-9-8-16-23(24)27-31(26-19-11-10-18-25(26)30,28(34)21-12-4-2-5-13-21)32(27,30)29(35)22-14-6-3-7-15-22/h2-19,27H,1H3/t27-,30+,31+,32-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC[C@H]2[C@@H](NC(=O)O2)COCC3=CC=CC=C3
InChI: InChI=1S/C20H23NO6S/c1-15-7-9-17(10-8-15)28(23,24)26-12-11-19-18(21-20(22)27-19)14-25-13-16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3,(H,21,22)/t18-,19-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C
InChI: InChI=1S/C35H31N3O5/c1-20-16-23(17-21(2)31(20)40)30-25-14-15-37-33(42)36(3)34(43)38(37)28(25)19-27-32(41)26(22-10-6-4-7-11-22)18-29(39)35(27,30)24-12-8-5-9-13-24/h4-14,16-18,27-28,30,40H,15,19H2,1-3H3/t27-,28+,30-,35-/m0/s1
SMILES: CCOC(=O)C1=C(N=C(C(=C1C2=CC(=C(C=C2)OC)O)C#N)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=CC=C4
InChI: InChI=1S/C28H28N2O9S/c1-3-38-27(36)21-20(15-9-10-18(37-2)17(32)11-15)16(12-29)26(30-22(21)14-7-5-4-6-8-14)40-28-25(35)24(34)23(33)19(13-31)39-28/h4-11,19,23-25,28,31-35H,3,13H2,1-2H3/t19-,23-,24+,25-,28+/m1/s1
SMILES: C[C@]12CCC(=O)[C@@](C1C[C@@H]([C@@]3([C@@H]2CCC4[C@]3(CC(=O)[C@H]5C4[C@@H](CC5)[C@](C)(CO)O)C)C)O)(C)CO
InChI: InChI=1S/C29H46O6/c1-25-11-10-22(33)26(2,14-30)21(25)12-23(34)29(5)20(25)9-8-17-24-16(19(32)13-27(17,29)3)6-7-18(24)28(4,35)15-31/h16-18,20-21,23-24,30-31,34-35H,6-15H2,1-5H3/t16-,17?,18+,20+,21?,23-,24?,25+,26-,27+,28-,29-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)N)N.C1=CC(=CC=C1C(C(=O)[O-])S(=O)(=O)[O-])O.[Pt+2]
InChI: InChI=1S/C8H8O6S.C6H14N2.Pt/c9-6-3-1-5(2-4-6)7(8(10)11)15(12,13)14;7-5-3-1-2-4-6(5)8;/h1-4,7,9H,(H,10,11)(H,12,13,14);5-6H,1-4,7-8H2;/q;;+2/p-2/t;5-,6-;/m.1./s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=O)NC3=CC=CC=C3)NCC4=CC=CC=N4
InChI: InChI=1S/C19H21N3O4/c23-19(22-13-6-2-1-3-7-13)26-16-12-25-17-15(11-24-18(16)17)21-10-14-8-4-5-9-20-14/h1-9,15-18,21H,10-12H2,(H,22,23)/t15-,16+,17+,18+/m0/s1
SMILES: CC1=C2CC(C[C@H]2[C@@H](C1=O)C(=C)C(C)C)(C(=O)OC)C(=O)OC
InChI: InChI=1S/C18H24O5/c1-9(2)10(3)14-13-8-18(16(20)22-5,17(21)23-6)7-12(13)11(4)15(14)19/h9,13-14H,3,7-8H2,1-2,4-6H3/t13-,14+/m1/s1
SMILES: C[C@H]([C@H]1[C@@H]2N(C1=O)C(=C(S2)S[C@H]3CCS(=O)C3)C(=O)O)O
InChI: InChI=1S/C12H15NO5S3/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)/t5-,6+,7-,10-,21?/m1/s1
SMILES: CSC(=CC(=O)[C@@H]1C[C@H]1/C=C/C2=CC3=C(C=C2)OCO3)SC
InChI: InChI=1S/C17H18O3S2/c1-21-17(22-2)9-14(18)13-8-12(13)5-3-11-4-6-15-16(7-11)20-10-19-15/h3-7,9,12-13H,8,10H2,1-2H3/b5-3+/t12-,13-/m1/s1
SMILES: CC1=CC(=CC=C1)N2C[C@]34C=C[C@H](O3)[C@H]([C@@H]4C2=O)C(=O)OC(C)C
InChI: InChI=1S/C19H21NO4/c1-11(2)23-18(22)15-14-7-8-19(24-14)10-20(17(21)16(15)19)13-6-4-5-12(3)9-13/h4-9,11,14-16H,10H2,1-3H3/t14-,15+,16+,19-/m0/s1
SMILES: COC1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@](C2=O)(CC(=O)O3)OC(=O)OC
InChI: InChI=1S/C16H15NO8/c1-22-10-5-3-9(4-6-10)8-17-13(19)12-16(14(17)20,7-11(18)24-12)25-15(21)23-2/h3-6,12H,7-8H2,1-2H3/t12-,16+/m1/s1
SMILES: CC1=C(N=C(N=C1N2C[C@H]3CCCN[C@H]3C2)N)C4=CC=CC=C4.Cl
InChI: InChI=1S/C18H23N5.ClH/c1-12-16(13-6-3-2-4-7-13)21-18(19)22-17(12)23-10-14-8-5-9-20-15(14)11-23;/h2-4,6-7,14-15,20H,5,8-11H2,1H3,(H2,19,21,22);1H/t14-,15+;/m1./s1
SMILES: CC(C)[C@@H](C1=CC=C(C=C1)OC)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C22H30N2O4/c1-14(2)20(15-8-10-16(28-3)11-9-15)23-19(25)12-13-24-21(26)17-6-4-5-7-18(17)22(24)27/h8-11,14,17-18,20H,4-7,12-13H2,1-3H3,(H,23,25)/t17-,18-,20-/m0/s1
SMILES: COC1=C(C=C(C=C1)NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)Cl
InChI: InChI=1S/C18H22ClNO4/c1-23-16-5-4-14(9-15(16)19)20-17(21)10-24-18(22)8-13-7-11-2-3-12(13)6-11/h4-5,9,11-13H,2-3,6-8,10H2,1H3,(H,20,21)/t11-,12-,13-/m0/s1
SMILES: CN1[C@@H]2[C@H](C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C24)OCO5
InChI: InChI=1S/C20H17NO6/c1-21-18-10-5-15-16(27-8-26-15)6-11(10)19(22)17(18)9-4-13(24-2)14(25-3)7-12(9)20(21)23/h4-7,17-18H,8H2,1-3H3/t17-,18-/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)CN5C(=O)C6=CC=CC=C6C5=O)CN(C)C[C@H](C7=CC(=CC=C7)O)O
InChI: InChI=1S/C43H42N2O7/c1-27-39(25-44(2)24-38(48)33-11-7-13-35(47)22-33)51-43(52-40(27)30-18-16-28(26-46)17-19-30)34-12-6-10-32(21-34)31-9-5-8-29(20-31)23-45-41(49)36-14-3-4-15-37(36)42(45)50/h3-22,27,38-40,43,46-48H,23-26H2,1-2H3/t27-,38+,39+,40+,43+/m0/s1
SMILES: C[C@H]1CO[C@@H](O[C@@H]1[C@@H](C)C(=O)CP(=O)(OC)OC)C2=CC=C(C=C2)OC
InChI: InChI=1S/C18H27O7P/c1-12-10-24-18(14-6-8-15(21-3)9-7-14)25-17(12)13(2)16(19)11-26(20,22-4)23-5/h6-9,12-13,17-18H,10-11H2,1-5H3/t12-,13-,17-,18-/m0/s1
SMILES: C[C@H](CCC=C1CC1)[C@H]2CC[C@@H]3[C@@]2(CCC4=C3CCC5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C
InChI: InChI=1S/C29H44O2/c1-19(6-5-7-21-8-9-21)25-12-13-26-24-11-10-22-18-23(31-20(2)30)14-16-28(22,3)27(24)15-17-29(25,26)4/h7,19,22-23,25-26H,5-6,8-18H2,1-4H3/t19-,22?,23+,25-,26+,28+,29-/m1/s1
SMILES: C1=CC=C2[C@H]3[C@H]4[C@@H]([C@@H](N3N=CC2=C1)C(=O)C5=CC=C(C=C5)F)C(=O)N(C4=O)C6=CC=CC=C6F
InChI: InChI=1S/C26H17F2N3O3/c27-16-11-9-14(10-12-16)24(32)23-21-20(22-17-6-2-1-5-15(17)13-29-31(22)23)25(33)30(26(21)34)19-8-4-3-7-18(19)28/h1-13,20-23H/t20-,21+,22+,23-/m1/s1
SMILES: C1CC2=C(C1)[NH2+][C@H]([C@]3([C@@]2(C4([NH+]=C3N)OCCO4)C#N)C#N)C5=CC=CC=C5
InChI: InChI=1S/C20H19N5O2/c21-11-18-16(13-5-2-1-3-6-13)24-15-8-4-7-14(15)19(18,12-22)20(25-17(18)23)26-9-10-27-20/h1-3,5-6,16,24H,4,7-10H2,(H2,23,25)/p+2/t16-,18+,19+/m0/s1
SMILES: CCCCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)C=O)C(=O)NCCO)C(=O)COCC
InChI: InChI=1S/C27H38N2O8/c1-4-6-7-8-10-29(22(32)16-36-5-2)20-14-19(27(34)28-9-11-30)23-18-12-17(15-31)13-21(35-3)25(18)37-26(23)24(20)33/h12-15,20,23-24,26,30,33H,4-11,16H2,1-3H3,(H,28,34)/t20-,23+,24+,26+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C
InChI: InChI=1S/C21H28ClN3O2S/c1-12(2)25-20(27)16-9-8-15(22)10-18(16)24-21(25)28-11-19(26)23-17-7-5-6-13(3)14(17)4/h8-10,12-14,17H,5-7,11H2,1-4H3,(H,23,26)/t13-,14-,17+/m1/s1
SMILES: CC1=C(C2=C(C=C1)[C@]3([C@H]4[C@@H]([C@H](N3)CCC(=O)O)C(=O)N(C4=O)C5CCCC5)C(=O)N2)C
InChI: InChI=1S/C23H27N3O5/c1-11-7-8-14-19(12(11)2)24-22(31)23(14)18-17(15(25-23)9-10-16(27)28)20(29)26(21(18)30)13-5-3-4-6-13/h7-8,13,15,17-18,25H,3-6,9-10H2,1-2H3,(H,24,31)(H,27,28)/t15-,17-,18+,23+/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(=C4)CN)CSC5=NN=NN5C6=CC=C(C=C6)O
InChI: InChI=1S/C33H33N5O4S/c1-21-30(20-43-33-35-36-37-38(33)28-13-15-29(40)16-14-28)41-32(42-31(21)25-7-5-22(19-39)6-8-25)26-11-9-24(10-12-26)27-4-2-3-23(17-27)18-34/h2-17,21,30-32,39-40H,18-20,34H2,1H3/t21-,30+,31+,32+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OCC[Si](C)(C)C)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C)OC(=O)C
InChI: InChI=1S/C41H56O16Si/c1-25(42)49-24-33-34(51-26(2)43)36(52-27(3)44)38(50-22-31-17-13-10-14-18-31)41(56-33)57-35-32(23-47-21-30-15-11-9-12-16-30)55-40(48-19-20-58(6,7)8)39(54-29(5)46)37(35)53-28(4)45/h9-18,32-41H,19-24H2,1-8H3/t32-,33-,34+,35+,36+,37+,38-,39-,40-,41-/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)[O-])C)[O-])F)C.[Na+].[Na+]
InChI: InChI=1S/C22H27FO5.2Na/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24;;/h6-7,9,12,15-17,24H,4-5,8,10-11H2,1-3H3;;/q-2;2*+1/t12-,15-,16-,17-,19-,20-,21-,22-;;/m0../s1
SMILES: C[C@H]([C@@H](C(C)C)O)C(=O)N1[C@@H]2[C@@H]3CC[C@]([C@@H]2OC1=O)(C3(C)C)C
InChI: InChI=1S/C18H29NO4/c1-9(2)13(20)10(3)15(21)19-12-11-7-8-18(6,17(11,4)5)14(12)23-16(19)22/h9-14,20H,7-8H2,1-6H3/t10-,11+,12-,13-,14-,18-/m1/s1
SMILES: CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)N4CC[C@]5(CCCC[C@@H]5C4)O
InChI: InChI=1S/C27H29NO5/c1-18-23(32-17-24(29)28-14-13-27(31)12-6-5-9-20(27)16-28)11-10-21-22(15-25(30)33-26(18)21)19-7-3-2-4-8-19/h2-4,7-8,10-11,15,20,31H,5-6,9,12-14,16-17H2,1H3/t20-,27+/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC6=C5CC7=CC=CC=C76)CCOCCOCCO
InChI: InChI=1S/C39H46N2O8/c1-2-46-39-32(12-18-44-20-21-45-19-17-42)34(31-9-5-8-30-29-7-4-3-6-28(29)23-33(30)31)24-37(49-39)38(43)41-15-13-40(14-16-41)25-27-10-11-35-36(22-27)48-26-47-35/h3-11,22,24,32,34,39,42H,2,12-21,23,25-26H2,1H3/t32-,34+,39+/m1/s1
SMILES: CC1=CC=C(C=C1)NC2=C([C@@H]([C@H](C(=C2)C)C(=O)OC)C3=CC=C(C=C3)Br)C(=O)OC
InChI: InChI=1S/C24H24BrNO4/c1-14-5-11-18(12-6-14)26-19-13-15(2)20(23(27)29-3)21(22(19)24(28)30-4)16-7-9-17(25)10-8-16/h5-13,20-21,26H,1-4H3/t20-,21+/m0/s1
SMILES: CC(=O)O[C@]1(C(=O)C[C@H]2[C@@](CCC[C@@]2([C@]1(CCC3=COC=C3)O)C)(C)CO)C
InChI: InChI=1S/C22H32O6/c1-15(24)28-21(4)18(25)12-17-19(2,14-23)8-5-9-20(17,3)22(21,26)10-6-16-7-11-27-13-16/h7,11,13,17,23,26H,5-6,8-10,12,14H2,1-4H3/t17-,19+,20-,21-,22-/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)N(C)C6=C(C=CC(=N6)C(F)(F)F)Cl)Cl
InChI: InChI=1S/C30H26Cl3F3N4O7/c1-38-26(44)28(32)11-15-13(21(29(28,33)27(38)45)12-9-17(46-3)22(41)18(10-12)47-4)5-6-14-20(15)25(43)40(24(14)42)39(2)23-16(31)7-8-19(37-23)30(34,35)36/h5,7-10,14-15,20-21,41H,6,11H2,1-4H3/t14-,15+,20-,21-,28+,29-/m0/s1
SMILES: C/C=C\1/C[C@@H]([C@](C(=O)OCC2=CCN3C2[C@H](CC3)OC1=O)(C)O)C
InChI: InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15?,18-/m0/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OCCCCO)O)C
InChI: InChI=1S/C31H52O5/c1-21(10-8-16-30(3,4)35)25-14-15-26-23(11-9-17-31(25,26)5)12-13-24-20-27(33)29(28(34)22(24)2)36-19-7-6-18-32/h12-13,21,25-29,32-35H,2,6-11,14-20H2,1,3-5H3/b23-12+,24-13-/t21-,25-,26+,27-,28-,29-,31-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)OC
InChI: InChI=1S/C38H69NO13/c1-15-26-38(10,47-14)31(42)21(4)28(40)19(2)17-36(8,45)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-37(9,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36+,37-,38-/m1/s1
SMILES: CC1(OC[C@H](O1)[C@H]2[C@@H](OC(O2)(C)C)C(SCC3=CC=CC=C3)SCC4=CC=CC=C4)C
InChI: InChI=1S/C25H32O4S2/c1-24(2)26-15-20(27-24)21-22(29-25(3,4)28-21)23(30-16-18-11-7-5-8-12-18)31-17-19-13-9-6-10-14-19/h5-14,20-23H,15-17H2,1-4H3/t20-,21-,22+/m0/s1
SMILES: C[C@H]1C[C@H]2C[C@H]([C@@]([C@@H]3[C@@H]2[C@@H]4[C@@H]1CC[C@]([C@H]4CC3)(C)C(=O)OC)(C)C(=O)OC)C
InChI: InChI=1S/C24H38O4/c1-13-11-15-12-14(2)24(4,22(26)28-6)18-8-7-17-20(19(15)18)16(13)9-10-23(17,3)21(25)27-5/h13-20H,7-12H2,1-6H3/t13-,14+,15-,16+,17-,18-,19+,20+,23-,24+/m0/s1
SMILES: COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3CC5=CC=C(C=C5)F)C=C1.Br
InChI: InChI=1S/C24H28FNO.BrH/c1-27-20-10-7-18-14-23-21-4-2-3-11-24(21,22(18)15-20)12-13-26(23)16-17-5-8-19(25)9-6-17;/h5-10,15,21,23H,2-4,11-14,16H2,1H3;1H/t21-,23+,24+;/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)CNC(=O)[C@H](C)OC(=O)C)CSC4=CC=CC=C4C(=O)O
InChI: InChI=1S/C32H35NO8S/c1-19-27(18-42-28-7-5-4-6-26(28)31(37)38)40-32(41-29(19)24-12-10-23(17-34)11-13-24)25-14-8-22(9-15-25)16-33-30(36)20(2)39-21(3)35/h4-15,19-20,27,29,32,34H,16-18H2,1-3H3,(H,33,36)(H,37,38)/t19-,20+,27+,29+,32+/m1/s1
SMILES: CC/C=C\C[C@H]([C@@H]1[C@H](OC(O1)(C)C)CO)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C18H36O4Si/c1-9-10-11-12-14(22-23(7,8)17(2,3)4)16-15(13-19)20-18(5,6)21-16/h10-11,14-16,19H,9,12-13H2,1-8H3/b11-10-/t14-,15-,16-/m1/s1
SMILES: C[C@@H]1[C@H](C[C@@H]([C@@H]1C(=O)OC)CCO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=C(C=C3)O)O)O)O
InChI: InChI=1S/C23H32O11/c1-11-15(9-13(7-8-24)17(11)22(30)31-2)33-23-20(28)19(27)18(26)16(34-23)10-32-21(29)12-3-5-14(25)6-4-12/h3-6,11,13,15-20,23-28H,7-10H2,1-2H3/t11-,13+,15+,16-,17-,18-,19+,20-,23-/m1/s1
SMILES: CC(C)N1CC=C2[C@@H](C1)[C@@H](C(C(=N)C2C(=O)O)(C#N)C#N)C3=CC=C(C=C3)SC
InChI: InChI=1S/C22H24N4O2S/c1-13(2)26-9-8-16-17(10-26)19(14-4-6-15(29-3)7-5-14)22(11-23,12-24)20(25)18(16)21(27)28/h4-8,13,17-19,25H,9-10H2,1-3H3,(H,27,28)/t17-,18?,19+/m1/s1
SMILES: C1=CC=C2[C@H]3[C@H]4C5=C(C=C(C=C5)C(=O)O)[C@@H]([C@@H](C2=C1)C6=C3C=C(C=C6)C(=O)O)C7=CC=CC=C47
InChI: InChI=1S/C30H20O4/c31-29(32)15-9-11-21-23(13-15)27-19-7-3-1-5-17(19)25(21)28-20-8-4-2-6-18(20)26(27)22-12-10-16(30(33)34)14-24(22)28/h1-14,25-28H,(H,31,32)(H,33,34)/t25-,26+,27+,28-
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@@H]4[C@H]([C@H]3C5=C(C=C(C=C5)O)Cl)C(=O)N(C4=O)CCC
InChI: InChI=1S/C26H29ClN2O5/c1-3-9-28-23(31)16-8-7-14-17(21(16)25(28)33)12-18-22(26(34)29(10-4-2)24(18)32)20(14)15-6-5-13(30)11-19(15)27/h5-7,11,16-18,20-22,30H,3-4,8-10,12H2,1-2H3/t16-,17+,18+,20+,21-,22+/m0/s1
SMILES: CCN1C(=O)[C@@H](C(=O)NC1=S)C=N[C@@H]2CCC[C@H]([C@@H]2C)C
InChI: InChI=1S/C15H23N3O2S/c1-4-18-14(20)11(13(19)17-15(18)21)8-16-12-7-5-6-9(2)10(12)3/h8-12H,4-7H2,1-3H3,(H,17,19,21)/t9-,10+,11-,12-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H](C=C1C(=O)NCCO)OC2=CC=CC=C2I)O)N(CC3=CC=CC=C3F)C(=O)C4=CC5=CC=CC=C5OC4=O
InChI: InChI=1S/C32H28FIN2O7/c33-23-9-3-1-8-20(23)18-36(31(40)22-15-19-7-2-5-11-26(19)43-32(22)41)25-16-21(30(39)35-13-14-37)17-28(29(25)38)42-27-12-6-4-10-24(27)34/h1-12,15,17,25,28-29,37-38H,13-14,16,18H2,(H,35,39)/t25-,28+,29+/m1/s1
SMILES: CN1C=NN=C1S[C@H]2[C@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C
InChI: InChI=1S/C16H16N4O2S2/c1-20-9-17-18-16(20)23-15-12-8-4-6-10-5-3-7-11(13(10)12)14(15)19-24(2,21)22/h3-9,14-15,19H,1-2H3/t14-,15+/m0/s1
SMILES: C1=CC=C2[C@H]3[C@@H]4[C@H]([C@@H]([NH+]3C=CC2=C1)C(=O)N)C(=O)N(C4=O)C5=CC=CC=C5Cl
InChI: InChI=1S/C21H16ClN3O3/c22-13-7-3-4-8-14(13)25-20(27)15-16(21(25)28)18(19(23)26)24-10-9-11-5-1-2-6-12(11)17(15)24/h1-10,15-18H,(H2,23,26)/p+1/t15-,16+,17-,18+/m0/s1
SMILES: CCOC(C1=CC2=C(C(=C1)OCOC)[C@@]3(CO3)C(=O)[C@@H]4[C@@H](N4C5(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C8)CN2S(=O)(=O)C9=CC=CC=C9)OCC
InChI: InChI=1S/C44H42N2O8S/c1-4-51-42(52-5-2)29-24-36-39(38(25-29)53-28-50-3)43(27-54-43)41(47)40-37(26-45(36)55(48,49)31-18-10-7-11-19-31)46(40)44(30-16-8-6-9-17-30)34-22-14-12-20-32(34)33-21-13-15-23-35(33)44/h6-25,37,40,42H,4-5,26-28H2,1-3H3/t37-,40-,43-,46?/m0/s1
SMILES: C1CN2[C@@H]([C@@H]3[C@H](N2C1)C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C20H17Cl2N3O2/c21-13-7-5-12(6-8-13)17-16-18(24-10-2-9-23(17)24)20(27)25(19(16)26)15-4-1-3-14(22)11-15/h1,3-8,11,16-18H,2,9-10H2/t16-,17-,18+/m1/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC6=CC=CC=C6F)OCC=C)CCCCO)CCCCO)C(=O)C7=CC8=C(C=C7)OCO8
InChI: InChI=1S/C50H54FN3O11/c1-3-24-63-50-46(53(2)49(57)34-16-20-44-45(26-34)62-31-61-44)28-42(52-64-29-32-14-17-36(18-15-32)54(58)59)39-25-33(10-6-8-22-55)38(12-7-9-23-56)47(48(39)50)40-27-37(19-21-43(40)65-50)60-30-35-11-4-5-13-41(35)51/h3-5,11,13-21,25-27,33,38,46-48,55-56H,1,6-10,12,22-24,28-31H2,2H3/t33-,38+,46-,47+,48+,50+/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)CCNC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC=CC=C5C=COCCO)OCO4
InChI: InChI=1S/C33H45N3O12/c1-32(2,3)47-25(40)9-8-22(18-38)35-24(39)10-12-34-31(42)33-16-23-26-27(45-19-44-26)29(33)48-36(28(33)30(41)46-23)17-21-7-5-4-6-20(21)11-14-43-15-13-37/h4-7,11,14,22-23,26-29,37-38H,8-10,12-13,15-19H2,1-3H3,(H,34,42)(H,35,39)/t22-,23+,26-,27-,28-,29+,33-/m0/s1
SMILES: COC1=C(C=C2C(=C1)C3=C([C@@H]([C@@H]4CCCN4C3)O)C5=C2C=C(C=C5)O)OC
InChI: InChI=1S/C22H23NO4/c1-26-19-9-15-14-8-12(24)5-6-13(14)21-17(16(15)10-20(19)27-2)11-23-7-3-4-18(23)22(21)25/h5-6,8-10,18,22,24-25H,3-4,7,11H2,1-2H3/t18-,22+/m0/s1
SMILES: CCOC(=O)N1[C@@H](C2=CC=CC=C2[C@H]([C@@H]1OC)N(C)C)C#N
InChI: InChI=1S/C16H21N3O3/c1-5-22-16(20)19-13(10-17)11-8-6-7-9-12(11)14(18(2)3)15(19)21-4/h6-9,13-15H,5H2,1-4H3/t13-,14-,15+/m1/s1
SMILES: C[C@H](/C=C(\C)/C=C/C(=O)NO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)C2=CC=C(C=C2)N(C)C
InChI: InChI=1S/C23H32N2O8/c1-13(11-14(2)19(28)15-6-8-16(9-7-15)25(3)4)5-10-18(27)24-33-23-22(31)21(30)20(29)17(12-26)32-23/h5-11,14,17,20-23,26,29-31H,12H2,1-4H3,(H,24,27)/b10-5+,13-11+/t14-,17-,20-,21+,22-,23+/m1/s1
SMILES: C1C=CC[C@@H]([C@H]1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C21H18ClNO4/c22-14-10-11-18(17(12-14)19(24)13-6-2-1-3-7-13)23-20(25)15-8-4-5-9-16(15)21(26)27/h1-7,10-12,15-16H,8-9H2,(H,23,25)(H,26,27)/t15-,16-/m0/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)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)Br
InChI: InChI=1S/C30H24BrN3O7/c31-24-25(41-29(37)21-14-8-3-9-15-21)22(18-39-28(36)20-12-6-2-7-13-20)40-27(24)34-17-16-23(33-30(34)38)32-26(35)19-10-4-1-5-11-19/h1-17,22,24-25,27H,18H2,(H,32,33,35,38)/t22-,24+,25-,27+/m1/s1
SMILES: COC1=CC2=C(C(=C1)OC)C(=O)[C@@H]([C@H](O2)C3=CC=C(C=C3)O)O
InChI: InChI=1S/C17H16O6/c1-21-11-7-12(22-2)14-13(8-11)23-17(16(20)15(14)19)9-3-5-10(18)6-4-9/h3-8,16-18,20H,1-2H3/t16-,17+/m0/s1
SMILES: CC1=CC=C(C=C1)C2=C[C@@H]([C@@H](C(=O)N2)C#N)C3=CC=CC=C3
InChI: InChI=1S/C19H16N2O/c1-13-7-9-15(10-8-13)18-11-16(14-5-3-2-4-6-14)17(12-20)19(22)21-18/h2-11,16-17H,1H3,(H,21,22)/t16-,17+/m1/s1
SMILES: CCOC(=O)[C@](C)(/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3([C@H](C[C@@H](C5)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)N6N4C(=O)N(C6=O)C7=CC=CC=C7)C)F
InChI: InChI=1S/C48H74FN3O6Si2/c1-16-56-39(53)45(10,49)27-24-32(2)35-22-23-36-44(35,9)26-25-37-46(11)38(58-60(14,15)43(6,7)8)30-34(57-59(12,13)42(3,4)5)31-47(46)28-29-48(36,37)52-41(55)50(40(54)51(47)52)33-20-18-17-19-21-33/h17-21,24,27-29,32,34-38H,16,22-23,25-26,30-31H2,1-15H3/b27-24+/t32-,34+,35-,36-,37-,38+,44-,45+,46+,47-,48+/m1/s1
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H](C[C@@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C28H40O18/c1-40-15-6-12(2-4-13(15)32)3-5-19(34)41-10-18-25(44-27-24(38)23(37)21(35)16(8-29)43-27)14(33)7-20(42-18)46-28(11-31)26(39)22(36)17(9-30)45-28/h2-6,14,16-18,20-27,29-33,35-39H,7-11H2,1H3/b5-3+/t14-,16-,17-,18-,20+,21-,22-,23+,24-,25+,26+,27+,28+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCC5=CC=C(C=C5)C(=O)O)C
InChI: InChI=1S/C23H30O7/c1-13-4-9-18-14(2)20(26-12-15-5-7-16(8-6-15)19(24)25)27-21-23(18)17(13)10-11-22(3,28-21)29-30-23/h5-8,13-14,17-18,20-21H,4,9-12H2,1-3H3,(H,24,25)/t13-,14-,17+,18+,20+,21-,22-,23-/m1/s1
SMILES: C1C(O[C@@H]2N1C(=O)[C@H]2NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4)CBr
InChI: InChI=1S/C24H26BrN3O4/c25-14-18-15-28-23(31)21(24(28)32-18)27-22(30)19(13-17-9-5-2-6-10-17)26-20(29)12-11-16-7-3-1-4-8-16/h1-10,18-19,21,24H,11-15H2,(H,26,29)(H,27,30)/t18?,19-,21+,24-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC5(C4)OC(=O)C6=CC=CC=C6[Se]5)C)C
InChI: InChI=1S/C34H50O2Se/c1-22(2)9-8-10-23(3)27-15-16-28-25-14-13-24-21-34(36-31(35)26-11-6-7-12-30(26)37-34)20-19-32(24,4)29(25)17-18-33(27,28)5/h6-7,11-12,22-25,27-29H,8-10,13-21H2,1-5H3/t23-,24+,25+,27-,28+,29+,32+,33-,34?/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)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)CSCCO
InChI: InChI=1S/C34H36N2O6S/c1-23-31(22-43-20-19-37)41-33(42-32(23)25-9-7-24(21-38)8-10-25)26-11-13-27(14-12-26)35-34(39)36-28-15-17-30(18-16-28)40-29-5-3-2-4-6-29/h2-18,23,31-33,37-38H,19-22H2,1H3,(H2,35,36,39)/t23-,31+,32+,33+/m1/s1
SMILES: CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CS
InChI: InChI=1S/C25H36O5S/c1-4-5-21(29)30-25(20(28)14-31)11-9-18-17-7-6-15-12-16(26)8-10-23(15,2)22(17)19(27)13-24(18,25)3/h12,17-19,22,27,31H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
SMILES: CCOC(=O)C(=C)[C@@H]([C@H]1[C@@H](O1)[C@H](C)OCC2=CC=CC=C2)O
InChI: InChI=1S/C17H22O5/c1-4-20-17(19)11(2)14(18)16-15(22-16)12(3)21-10-13-8-6-5-7-9-13/h5-9,12,14-16,18H,2,4,10H2,1,3H3/t12-,14-,15-,16-/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N4CCCN4[C@@H]3C2=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C22H22FN3O2/c1-2-14-4-10-17(11-5-14)26-21(27)18-19(15-6-8-16(23)9-7-15)24-12-3-13-25(24)20(18)22(26)28/h4-11,18-20H,2-3,12-13H2,1H3/t18-,19+,20+/m1/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=C\3/C(=O)OC(=N3)C4=NC=CC(=C4)Cl
InChI: InChI=1S/C17H13ClN2O3/c1-9-6-12(9)15-3-2-11(22-15)8-14-17(21)23-16(20-14)13-7-10(18)4-5-19-13/h2-5,7-9,12H,6H2,1H3/b14-8-/t9-,12+/m1/s1
SMILES: CC1=C(C(=CC=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C4=C(C)C)C
InChI: InChI=1S/C20H21NO2/c1-10(2)16-13-8-9-14(16)18-17(13)19(22)21(20(18)23)15-7-5-6-11(3)12(15)4/h5-9,13-14,17-18H,1-4H3/t13-,14+,17-,18-/m0/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](COS(=O)(=O)C2=CC=C(C=C2)C)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C42H52O8S/c1-3-4-5-6-7-17-28-45-42-41(48-31-36-22-15-10-16-23-36)40(47-30-35-20-13-9-14-21-35)39(50-42)38(46-29-34-18-11-8-12-19-34)32-49-51(43,44)37-26-24-33(2)25-27-37/h8-16,18-27,38-42H,3-7,17,28-32H2,1-2H3/t38-,39+,40+,41-,42-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=O)(O)F
InChI: InChI=1S/C31H32FN2O9P/c1-20-18-34(30(36)33-29(20)35)28-17-26(43-44(32,37)38)27(42-28)19-41-31(21-7-5-4-6-8-21,22-9-13-24(39-2)14-10-22)23-11-15-25(40-3)16-12-23/h4-16,18,26-28H,17,19H2,1-3H3,(H,37,38)(H,33,35,36)/t26-,27+,28+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)C(CC[C@H]2[C@@H](C[C@@H]([C@@H]2CCCCCCC(=O)NO)O)O)O
InChI: InChI=1S/C23H35NO6/c1-15-8-10-16(11-9-15)23(29)19(25)13-12-18-17(20(26)14-21(18)27)6-4-2-3-5-7-22(28)24-30/h8-11,17-21,25-27,30H,2-7,12-14H2,1H3,(H,24,28)/t17-,18-,19?,20+,21-/m1/s1
SMILES: COC1=CC2=C(C=C1)C3=C(C(=N)C[C@@H]([C@H]3CC2)C4=CC=CC=C4)C#N
InChI: InChI=1S/C22H20N2O/c1-25-16-8-10-17-15(11-16)7-9-18-19(14-5-3-2-4-6-14)12-21(24)20(13-23)22(17)18/h2-6,8,10-11,18-19,24H,7,9,12H2,1H3/t18-,19-/m1/s1