EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2CC3=CC=CC=C3
InChI: InChI=1S/C17H22N2O3S/c20-15(21)9-5-4-8-14-16-13(11-23-14)19(17(22)18-16)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,18,22)(H,20,21)/t13-,14-,16-/m0/s1
SMILES: CN1[C@H]2C=C[C@@H](C1=O)[C@@H]3[C@@H]2C(=O)N(C3=O)CC4=CC=CC=C4
InChI: InChI=1S/C17H16N2O3/c1-18-12-8-7-11(15(18)20)13-14(12)17(22)19(16(13)21)9-10-5-3-2-4-6-10/h2-8,11-14H,9H2,1H3/t11-,12+,13-,14-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1CN3[C@H]([C@@H]4CC=C[C@@H]4C5=CC(=CC2=C53)C(=O)[O-])C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C25H22N2O4/c28-25(29)16-11-21-18-7-2-5-15(18)13-26-23(14-4-1-6-17(10-14)27(30)31)20-9-3-8-19(20)22(12-16)24(21)26/h1-4,6-8,10-12,15,18-20,23H,5,9,13H2,(H,28,29)/p-1/t15-,18+,19+,20-,23+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H](CC=C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC)OC)OC
InChI: InChI=1S/C27H56O7Si2/c1-16-17-20(33-25-24(30-11)23(29-10)22(28-9)19(2)32-25)21(34-36(14,15)27(6,7)8)18-31-35(12,13)26(3,4)5/h16,19-25H,1,17-18H2,2-15H3/t19-,20-,21+,22-,23+,24+,25-/m0/s1
SMILES: CCCCCCCCCCCCC[C@H](CC(=O)O[C@H]1CC[C@@]2(C3CCC4C5[C@@H](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)C(=C)C)C)OC(=O)C
InChI: InChI=1S/C48H82O4/c1-11-12-13-14-15-16-17-18-19-20-21-22-36(51-35(4)49)33-42(50)52-41-27-29-46(8)39(44(41,5)6)26-30-48(10)40(46)24-23-38-43-37(34(2)3)25-28-45(43,7)31-32-47(38,48)9/h36-41,43H,2,11-33H2,1,3-10H3/t36-,37+,38?,39?,40?,41+,43?,45-,46+,47-,48-/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3(C2CC7=C4C(=C(C=C7)OCCNC(=O)CCC(=O)N)O5)O)C8=CC=CC=C8N6
InChI: InChI=1S/C32H36N4O5/c33-25(37)9-10-26(38)34-12-14-40-23-8-7-19-15-24-32(39)16-21-20-3-1-2-4-22(20)35-28(21)30-31(32,27(19)29(23)41-30)11-13-36(24)17-18-5-6-18/h1-4,7-8,18,24,30,35,39H,5-6,9-17H2,(H2,33,37)(H,34,38)/t24?,30-,31-,32+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)COCC2=CC=CC=C2)O)OCC3=CC=CC=C3
InChI: InChI=1S/C23H29NO6/c1-16(25)24-20-22(29-14-18-11-7-4-8-12-18)21(26)19(30-23(20)27-2)15-28-13-17-9-5-3-6-10-17/h3-12,19-23,26H,13-15H2,1-2H3,(H,24,25)/t19-,20-,21-,22-,23+/m1/s1
SMILES: C1C2C([C@@H](S1)CCCCC(=O)NCCCCNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)NC(=O)N2
InChI: InChI=1S/C24H37N8O9PS/c33-16(6-2-1-5-15-17-13(10-43-15)30-24(36)31-17)25-7-3-4-8-26-21-18-22(28-11-27-21)32(12-29-18)23-20(35)19(34)14(41-23)9-40-42(37,38)39/h11-15,17,19-20,23,34-35H,1-10H2,(H,25,33)(H,26,27,28)(H2,30,31,36)(H2,37,38,39)/t13?,14-,15+,17?,19-,20-,23-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C
InChI: InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23?,24-,25?,28+,29-,30-,31+,32+/m0/s1
SMILES: C1=CC=C(C(=C1)COC2=CC=CC(=C2C(=O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C20H22O10/c21-8-14-16(23)17(24)18(25)20(30-14)29-12-6-2-1-4-10(12)9-28-13-7-3-5-11(22)15(13)19(26)27/h1-7,14,16-18,20-25H,8-9H2,(H,26,27)/t14-,16-,17+,18-,20-/m1/s1
SMILES: CCC(=O)[C@]1(CO1)C[C@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C(=O)OC)O[C@@H]2C[C@H]([C@@H]([C@H](O2)C)O)OC)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C(=O)OCC4=CC=CC=C4)OC(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C46H65NO15/c1-10-36(48)46(26-57-46)23-27(2)39(29(4)40(30(5)42(50)54-9)60-37-22-35(53-8)38(49)31(6)59-37)61-43-41(62-45(52)56-25-33-19-15-12-16-20-33)34(21-28(3)58-43)47(7)44(51)55-24-32-17-13-11-14-18-32/h11-20,27-31,34-35,37-41,43,49H,10,21-26H2,1-9H3/t27-,28+,29+,30+,31+,34-,35+,37+,38+,39-,40-,41+,43-,46+/m0/s1
SMILES: C=C1[C@H]([C@@H](NC(=S)N1)C2=CC3=C(C=C2)OCO3)C(=O)N4CCOCC4
InChI: InChI=1S/C17H19N3O4S/c1-10-14(16(21)20-4-6-22-7-5-20)15(19-17(25)18-10)11-2-3-12-13(8-11)24-9-23-12/h2-3,8,14-15H,1,4-7,9H2,(H2,18,19,25)/t14-,15+/m1/s1
SMILES: CC1=CSC(=[N+]1C)N(C)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O
InChI: InChI=1S/C20H23N7O5S3/c1-9-6-35-20(26(9)3)25(2)5-10-7-33-17-13(16(29)27(17)14(10)18(30)31)23-15(28)12(24-32-4)11-8-34-19(21)22-11/h6,8,13,17H,5,7H2,1-4H3,(H3-,21,22,23,28,30,31)/p+1/b24-12-/t13-,17-/m1/s1
SMILES: C[C@@H]([C@@H]1CC[C@]2([C@@H](C[C@@H]([C@]3([C@]2(C1)O3)C)O)S(=O)(=O)C4=CC=CC=C4)C)C(=O)OC
InChI: InChI=1S/C22H30O6S/c1-14(19(24)27-4)15-10-11-20(2)18(29(25,26)16-8-6-5-7-9-16)12-17(23)21(3)22(20,13-15)28-21/h5-9,14-15,17-18,23H,10-13H2,1-4H3/t14-,15+,17-,18+,20-,21-,22+/m0/s1
SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)C)C)C)OC1
InChI: InChI=1S/C44H72O17/c1-19-7-12-44(55-17-19)20(2)30-26(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(35(51)32(48)28(16-46)58-41)60-39-36(52)33(49)29(18-54-39)59-40-37(53)34(50)31(47)27(15-45)57-40/h19-41,45-53H,5-18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,26?,27-,28-,29-,30?,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41-,42?,43?,44?/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCOC[C@@]1([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C30H58O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-38-21-30(28(37)25(34)23(20-32)40-30)41-29-27(36)26(35)24(33)22(19-31)39-29/h22-29,31-37H,2-21H2,1H3/t22-,23-,24-,25-,26+,27-,28+,29-,30+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2N)COC3=C(C=C(C=C3)C)C
InChI: InChI=1S/C20H29N5O2S/c1-13-8-9-17(15(3)10-13)27-11-18-23-24-20(25(18)21)28-12-19(26)22-16-7-5-4-6-14(16)2/h8-10,14,16H,4-7,11-12,21H2,1-3H3,(H,22,26)/t14-,16-/m0/s1
SMILES: CC1=CC(=CC(=C1OC)C/C=C(\C)/C[C@H](C[C@@]2(C[C@H]3[C@@H](CCC[C@@]2(C3(C)C)C)O)C)OC(=O)C(C)(C)C)OC
InChI: InChI=1S/C34H54O5/c1-22(14-15-24-19-25(37-10)18-23(2)29(24)38-11)17-26(39-30(36)31(3,4)5)20-33(8)21-27-28(35)13-12-16-34(33,9)32(27,6)7/h14,18-19,26-28,35H,12-13,15-17,20-21H2,1-11H3/b22-14+/t26-,27+,28-,33-,34-/m1/s1
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C21H23N3O6/c1-13(25)22-14-6-8-15(9-7-14)23-18(26)12-30-19(27)10-11-24-20(28)16-4-2-3-5-17(16)21(24)29/h2-3,6-9,16-17H,4-5,10-12H2,1H3,(H,22,25)(H,23,26)/t16-,17-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCC3=CC=CS3)C(=O)N[C@H](C)C4=CC=CC=C4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)CC6=C(C=CC=C6Cl)F)C
InChI: InChI=1S/C45H52ClFN2O4S/c1-30-10-8-22-44(3)39(36-19-17-32(26-34(50)18-16-30)27-37(36)42(51)28-38-40(46)14-7-15-41(38)47)20-23-45(44,53)29-49(24-21-35-13-9-25-54-35)43(52)48-31(2)33-11-5-4-6-12-33/h4-7,9-15,17,19,25,27,31,34,39,50,53H,8,16,18,20-24,26,28-29H2,1-3H3,(H,48,52)/t31-,34+,39+,44+,45-/m1/s1
SMILES: CC1=CC(=CC(=C1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C22H27NO10/c1-10-7-11(2)9-15(8-10)20(27)23-21-18(32-14(5)26)16(30-12(3)24)17(31-13(4)25)19(33-21)22(28)29-6/h7-9,16-19,21H,1-6H3,(H,23,27)/t16-,17-,18+,19-,21+/m0/s1
SMILES: CC1=C(C=CC2=C(C=CN=C12)O[C@@H]3C[C@@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)N6CCCCC6)OC
InChI: InChI=1S/C39H54N6O9S/c1-7-25-22-39(25,36(48)43-55(50,51)44-19-11-8-12-20-44)42-34(46)29-21-27(53-31-17-18-40-32-24(2)30(52-6)16-15-28(31)32)23-45(29)35(47)33(38(3,4)5)41-37(49)54-26-13-9-10-14-26/h7,15-18,25-27,29,33H,1,8-14,19-23H2,2-6H3,(H,41,49)(H,42,46)(H,43,48)/t25-,27-,29-,33-,39-/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OCOC)C)OC(=O)C
InChI: InChI=1S/C50H57NO16/c1-28-34(65-45(57)39(54)38(32-19-13-9-14-20-32)51-46(58)61-25-31-17-11-8-12-18-31)24-50(59)43(66-44(56)33-21-15-10-16-22-33)41-48(6,42(55)40(64-29(2)52)37(28)47(50,4)5)35(63-27-60-7)23-36-49(41,26-62-36)67-30(3)53/h8-22,34-36,38-41,43,54,59H,23-27H2,1-7H3,(H,51,58)/t34-,35-,36+,38-,39+,40+,41-,43-,48+,49-,50+/m0/s1
SMILES: CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)N[C@H]2CCCC[C@@H]2C)Cl)OC
InChI: InChI=1S/C20H25ClN2O3/c1-4-26-18-11-14(10-16(21)19(18)25-3)9-15(12-22)20(24)23-17-8-6-5-7-13(17)2/h9-11,13,17H,4-8H2,1-3H3,(H,23,24)/b15-9+/t13-,17-/m0/s1
SMILES: C[C@]12CCC(C[C@@H]1[C@@]3(CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)C)C)(C)C
InChI: InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23-,27-,28-,29-,30+/m0/s1
SMILES: CC1=[N+](C=C(C=C1)CN2CC[C@@H]([C@H](C2)C3=C(C=C(C=C3)F)C)C(=O)N(C)[C@H](C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)[O-]
InChI: InChI=1S/C31H32F7N3O2/c1-18-11-25(32)7-8-26(18)28-17-40(15-21-6-5-19(2)41(43)16-21)10-9-27(28)29(42)39(4)20(3)22-12-23(30(33,34)35)14-24(13-22)31(36,37)38/h5-8,11-14,16,20,27-28H,9-10,15,17H2,1-4H3/t20-,27+,28-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)Cl
InChI: InChI=1S/C15H15Cl2NO2/c1-8-2-4-10-11(6-8)15(20)18(14(10)19)13-7-9(16)3-5-12(13)17/h3,5,7-8,10-11H,2,4,6H2,1H3/t8-,10-,11-/m1/s1
SMILES: CC(C=C)N1[C@H]([C@H](C1=O)OC2=CC=CC=C2)[C@@H](CC(=C)Br)OC(=O)C
InChI: InChI=1S/C19H22BrNO4/c1-5-13(3)21-17(16(11-12(2)20)24-14(4)22)18(19(21)23)25-15-9-7-6-8-10-15/h5-10,13,16-18H,1-2,11H2,3-4H3/t13?,16-,17+,18-/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2[C@H](C(=O)OC)NC(=O)OCC3=CC=CC=C3)OC)C
InChI: InChI=1S/C19H25NO8/c1-19(2)27-14-13(26-17(24-4)15(14)28-19)12(16(21)23-3)20-18(22)25-10-11-8-6-5-7-9-11/h5-9,12-15,17H,10H2,1-4H3,(H,20,22)/t12-,13-,14-,15-,17-/m1/s1
SMILES: COC1=CC=CC=C1[C@@H]2C3=C(CNC3=O)N[C@@H]4CCCC[C@H]4N2C(=O)CCN5C=CC=C(C5=O)C(F)(F)F
InChI: InChI=1S/C27H29F3N4O4/c1-38-21-11-5-2-7-16(21)24-23-19(15-31-25(23)36)32-18-9-3-4-10-20(18)34(24)22(35)12-14-33-13-6-8-17(26(33)37)27(28,29)30/h2,5-8,11,13,18,20,24,32H,3-4,9-10,12,14-15H2,1H3,(H,31,36)/t18-,20-,24-/m1/s1
SMILES: C[C@]12CC[C@@](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)(C#C)O
InChI: InChI=1S/C21H32O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15-,16-,17-,18-,19-,20-,21+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@@H]([C@@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)O
InChI: InChI=1S/C17H15F3N2O5S/c1-27-10-7-8(4-5-9(10)23)13-12(14(24)11-3-2-6-28-11)16(26,17(18,19)20)22-15(25)21-13/h2-7,12-13,23,26H,1H3,(H2,21,22,25)/t12-,13+,16+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CS[C@@H]3[C@@H](C(=O)N3C2C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)CC6=CC=CC=C6
InChI: InChI=1S/C35H32N2O7S2/c1-23-17-19-27(20-18-23)46(41,42)44-28-22-45-34-30(36-29(38)21-24-11-5-2-6-12-24)33(39)37(34)31(28)35(40)43-32(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28,30-32,34H,21-22H2,1H3,(H,36,38)/t28?,30-,31?,34-/m1/s1
SMILES: CC1=CC2=C(C=C1)N(C=C2)C[C@@H]3C/C=C/[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)N[C@H](C(=O)NC3)CC(=O)N)CC(=O)OC(C)(C)C)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C41H52N6O8/c1-26-11-16-34-29(21-26)17-20-46(34)25-27-9-8-10-31(28-12-14-30(15-13-28)47(53)54)32(22-36(49)55-40(2,3)4)37(50)45-41(18-6-5-7-19-41)39(52)44-33(23-35(42)48)38(51)43-24-27/h8,10-17,20-21,27,31-33H,5-7,9,18-19,22-25H2,1-4H3,(H2,42,48)(H,43,51)(H,44,52)(H,45,50)/b10-8+/t27-,31-,32+,33+/m1/s1
SMILES: CC(=O)[C@H]1[C@@H]2CC[C@H]([C@H]([C@@H]2OC1=O)O[Si](C)(C)C(C)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C23H34O5Si/c1-15(24)19-17-12-13-18(26-14-16-10-8-7-9-11-16)21(20(17)27-22(19)25)28-29(5,6)23(2,3)4/h7-11,17-21H,12-14H2,1-6H3/t17-,18+,19-,20+,21+/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)N)CN(C)CCC4=CC=CC=N4
InChI: InChI=1S/C27H33N3O3/c1-19-25(17-30(2)15-13-24-8-3-4-14-29-24)32-27(22-6-5-7-23(28)16-22)33-26(19)21-11-9-20(18-31)10-12-21/h3-12,14,16,19,25-27,31H,13,15,17-18,28H2,1-2H3/t19-,25+,26+,27+/m1/s1
SMILES: CC(C)[C@@H]1[C@H]([NH2+][C@@H](CC1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H23NO/c1-14(2)19-18(22)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16/h3-12,14,17,19-21H,13H2,1-2H3/p+1/t17-,19-,20+/m0/s1
SMILES: CCOC(=O)C1=CC(=CC(=C1)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)C(=O)OCC
InChI: InChI=1S/C20H23NO7/c1-3-27-19(25)12-9-13(20(26)28-4-2)11-14(10-12)21-17(22)15-7-5-6-8-16(15)18(23)24/h5-6,9-11,15-16H,3-4,7-8H2,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C=C3)O)OC)O)O)O
InChI: InChI=1S/C23H28O12/c1-29-14-7-11(5-6-13(14)24)22(28)33-10-17-18(25)19(26)20(27)23(35-17)34-12-8-15(30-2)21(32-4)16(9-12)31-3/h5-9,17-20,23-27H,10H2,1-4H3/t17-,18-,19+,20-,23-/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)COCC2=CC=CC=C2)C[C@H](C[C@@H]([C@@H](C(=O)OC)O)O)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C26H44O8Si/c1-25(2,3)35(7,8)34-19(14-20(27)23(28)24(29)30-6)15-21-22(33-26(4,5)32-21)17-31-16-18-12-10-9-11-13-18/h9-13,19-23,27-28H,14-17H2,1-8H3/t19-,20-,21-,22-,23-/m0/s1
SMILES: C=CCO[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)CO[C@@H](O2)C3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]5[C@H](O4)CO[C@@H](O5)C6=CC=CC=C6)O)N=[N+]=[N-])OCC7=CC=CC=C7
InChI: InChI=1S/C36H39N3O10/c1-2-18-41-36-32(42-19-22-12-6-3-7-13-22)31(30-26(46-36)21-44-34(48-30)24-16-10-5-11-17-24)49-35-27(38-39-37)28(40)29-25(45-35)20-43-33(47-29)23-14-8-4-9-15-23/h2-17,25-36,40H,1,18-21H2/t25-,26-,27-,28-,29+,30+,31+,32-,33+,34+,35+,36-/m1/s1
SMILES: CCC[C@@H]1C[C@H]([C@@H](N([C@@H]1C(=O)OC)C(=O)OCC(Cl)(Cl)Cl)CC/C=C/C(=O)OCC)CC
InChI: InChI=1S/C22H34Cl3NO6/c1-5-10-16-13-15(6-2)17(11-8-9-12-18(27)31-7-3)26(19(16)20(28)30-4)21(29)32-14-22(23,24)25/h9,12,15-17,19H,5-8,10-11,13-14H2,1-4H3/b12-9+/t15-,16-,17+,19+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]([C@H]([C@@]([C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)(C)O)C)N(C(=O)O2)CCCCC4=CC=CC=C4)C
InChI: InChI=1S/C42H68N2O10/c1-13-32-42(9)35(44(39(48)54-42)22-18-17-21-30-19-15-14-16-20-30)29(6)41(8,49)25(2)24-40(7,50-12)36(27(4)33(45)28(5)37(47)52-32)53-38-34(46)31(43(10)11)23-26(3)51-38/h14-16,19-20,25-29,31-32,34-36,38,46,49H,13,17-18,21-24H2,1-12H3/t25-,26-,27+,28-,29-,31+,32-,34-,35+,36-,38?,40-,41+,42-/m1/s1
SMILES: C[C@]12[C@H](C1(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N(C2=O)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H18N2O4/c1-23-20(21(27)25(22(23)28)18-12-14-19(15-13-18)26(29)30)24(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3/t20-,23-/m1/s1
SMILES: CCOC(=O)[C@H]1C/C(=C\C(=O)O)/C([C@@H]1C)(C(=O)OC)C(=O)OC
InChI: InChI=1S/C15H20O8/c1-5-23-12(18)10-6-9(7-11(16)17)15(8(10)2,13(19)21-3)14(20)22-4/h7-8,10H,5-6H2,1-4H3,(H,16,17)/b9-7+/t8-,10+/m1/s1
SMILES: C1COC[C@H]1OC(=O)N[C@@H](CC2=CC=CC=C2)C3(CCN(CC3)[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H]5[C@@H](CC6=CC=CC=C56)O)O
InChI: InChI=1S/C36H43N3O6/c40-31-23-27-13-7-8-14-29(27)33(31)38-34(41)30(21-25-9-3-1-4-10-25)39-18-16-36(43,17-19-39)32(22-26-11-5-2-6-12-26)37-35(42)45-28-15-20-44-24-28/h1-14,28,30-33,40,43H,15-24H2,(H,37,42)(H,38,41)/t28-,30-,31+,32-,33-/m0/s1
SMILES: CCCC(C(=O)C(=O)NCC=C)NC(=O)C1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN3CCCCS3(=O)=O)C4CCCCC4
InChI: InChI=1S/C36H60N6O7S/c1-8-15-25(29(43)32(45)37-18-9-2)38-31(44)28-27-24(36(27,6)7)21-42(28)33(46)30(35(3,4)5)40-34(47)39-26(23-16-11-10-12-17-23)22-41-19-13-14-20-50(41,48)49/h9,23-28,30H,2,8,10-22H2,1,3-7H3,(H,37,45)(H,38,44)(H2,39,40,47)/t24-,25?,26+,27-,28?,30+/m0/s1
SMILES: C[C@H]1N[C@H]([C@@H](N1CC(=O)C2=CC=C(C=C2)Cl)Br)[N+](=O)[O-]
InChI: InChI=1S/C12H13BrClN3O3/c1-7-15-12(17(19)20)11(13)16(7)6-10(18)8-2-4-9(14)5-3-8/h2-5,7,11-12,15H,6H2,1H3/t7-,11+,12-/m0/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=C(C#N)C3=NC4=CC=CC=C4S3)S2
InChI: InChI=1S/C14H10N2O2S4/c15-5-8(13-16-9-3-1-2-4-10(9)19-13)14-20-11-6-22(17,18)7-12(11)21-14/h1-4,11-12H,6-7H2/t11-,12+
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N4CCCN4[C@@]3(C2=O)C)C5=CC=CC=C5
InChI: InChI=1S/C23H25N3O3/c1-3-29-18-12-10-17(11-13-18)26-21(27)19-20(16-8-5-4-6-9-16)24-14-7-15-25(24)23(19,2)22(26)28/h4-6,8-13,19-20H,3,7,14-15H2,1-2H3/t19-,20-,23-/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H]2C([C@@H](O1)O2)(F)F)C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C20H30F2O5/c1-2-3-6-9-14(23)12-13-16-15(10-7-4-5-8-11-17(24)25)18-20(21,22)19(26-16)27-18/h4,7,12-16,18-19,23H,2-3,5-6,8-11H2,1H3,(H,24,25)/b7-4-,13-12+/t14-,15+,16+,18-,19-/m0/s1
SMILES: CC(C)C(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)CCC3=CC=CC=C3
InChI: InChI=1S/C17H22N2O3S2/c1-12(2)16(20)18-17-19(9-8-13-6-4-3-5-7-13)14-10-24(21,22)11-15(14)23-17/h3-7,12,14-15H,8-11H2,1-2H3/t14-,15-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H](CC=C)C#C[Si](C)(C)C)I)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H31IO8Si/c1-8-9-16(10-11-31(5,6)7)29-21-18(22)20(28-15(4)25)19(27-14(3)24)17(30-21)12-26-13(2)23/h8,16-21H,1,9,12H2,2-7H3/t16-,17+,18-,19+,20+,21-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3
InChI: InChI=1S/C18H27N3O4S/c1-14-6-2-3-7-16(14)19-17(22)13-20-12-15(8-9-18(20)23)26(24,25)21-10-4-5-11-21/h8-9,12,14,16H,2-7,10-11,13H2,1H3,(H,19,22)/t14-,16-/m0/s1
SMILES: CN1C=CC=C1C(=O)N2CC[C@H]3[C@H]2C(=O)N4C[C@H](C[C@@H]4C(=O)N3)NC(=O)CC5=CC=CS5
InChI: InChI=1S/C22H25N5O4S/c1-25-7-2-5-16(25)21(30)26-8-6-15-19(26)22(31)27-12-13(10-17(27)20(29)24-15)23-18(28)11-14-4-3-9-32-14/h2-5,7,9,13,15,17,19H,6,8,10-12H2,1H3,(H,23,28)(H,24,29)/t13-,15-,17+,19-/m0/s1
SMILES: C[C@@]1(CC[C@@H]2[C@@H](C1)CC3=C(C2=O)C(=C4C(=O)C=C(C(=O)C4=C3OC)[Si](C)(C)C)OC)OC
InChI: InChI=1S/C25H32O6Si/c1-25(31-4)9-8-14-13(12-25)10-15-18(21(14)27)24(30-3)19-16(26)11-17(32(5,6)7)22(28)20(19)23(15)29-2/h11,13-14H,8-10,12H2,1-7H3/t13-,14-,25+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)I)C)C
InChI: InChI=1S/C27H45I/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21-,22+,23-,24+,25+,26+,27-/m1/s1
SMILES: CC(=C)[C@H]1CN([C@@H]([C@H]1CCOC(=O)C(C)(C)C)C(=O)OC)C(=O)OC
InChI: InChI=1S/C18H29NO6/c1-11(2)13-10-19(17(22)24-7)14(15(20)23-6)12(13)8-9-25-16(21)18(3,4)5/h12-14H,1,8-10H2,2-7H3/t12-,13+,14-/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)NS(=O)(=O)C)O)O
InChI: InChI=1S/C21H35NO6S/c1-3-4-7-10-16(23)13-14-18-17(19(24)15-20(18)25)11-8-5-6-9-12-21(26)22-29(2,27)28/h5,8,13-14,16-18,20,23,25H,3-4,6-7,9-12,15H2,1-2H3,(H,22,26)/b8-5-,14-13+/t16-,17+,18+,20+/m0/s1
SMILES: CCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CN3C=NN=N3)SC1)C(=O)OC(=O)OCC
InChI: InChI=1S/C15H18N6O6S/c1-3-8-6-28-13-10(17-9(22)5-20-7-16-18-19-20)12(23)21(13)11(8)14(24)27-15(25)26-4-2/h7,10,13H,3-6H2,1-2H3,(H,17,22)/t10-,13-/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CCC)[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)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C56H75N3O10/c1-4-7-8-9-10-11-12-13-14-24-53(63)58(31-5-2)52-38-50(57-67-40-41-25-27-44(28-26-41)59(64)65)48-36-43(21-15-17-32-60)47(23-16-18-33-61)54-49-37-46(68-45-22-19-20-42(35-45)39-62)29-30-51(49)69-56(52,55(48)54)66-34-6-3/h6,19-20,22,25-30,35-37,39,43,47,52,54-55,60-61H,3-5,7-18,21,23-24,31-34,38,40H2,1-2H3/t43-,47+,52-,54+,55+,56+/m0/s1
SMILES: CC(=O)NC1=C(C=CC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CI)O[C@@H]3[C@@H]([C@H]([C@H]4[C@H](O3)COC(O4)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Cl
InChI: InChI=1S/C36H41ClINO15/c1-17(40)39-25-13-22(11-12-24(25)37)15-45-35-32(49-20(4)43)30(47-18(2)41)28(26(14-38)51-35)54-36-33(50-21(5)44)31(48-19(3)42)29-27(52-36)16-46-34(53-29)23-9-7-6-8-10-23/h6-13,26-36H,14-16H2,1-5H3,(H,39,40)/t26-,27-,28-,29-,30+,31+,32-,33-,34?,35-,36-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)C(=O)N2[C@]([C@H]3CCCCCC3=N2)(C(F)(F)F)O
InChI: InChI=1S/C18H22F3N3O2/c1-23(2)13-10-8-12(9-11-13)16(25)24-17(26,18(19,20)21)14-6-4-3-5-7-15(14)22-24/h8-11,14,26H,3-7H2,1-2H3/t14-,17-/m0/s1
SMILES: C[C@@]12C[C@@H]1[C@]3([C@@H]4C[C@@H]4[C@@]2(N=N3)C(=O)OC)C(=O)OC
InChI: InChI=1S/C13H16N2O4/c1-11-5-8(11)12(9(16)18-2)6-4-7(6)13(11,15-14-12)10(17)19-3/h6-8H,4-5H2,1-3H3/t6-,7+,8+,11-,12-,13-/m1/s1
SMILES: C1CCN2[C@H](C1)[C@H](OC2=NCC3=CC=CC=C3)C4=CC=CC=C4.Cl
InChI: InChI=1S/C20H22N2O.ClH/c1-3-9-16(10-4-1)15-21-20-22-14-8-7-13-18(22)19(23-20)17-11-5-2-6-12-17;/h1-6,9-12,18-19H,7-8,13-15H2;1H/t18-,19-;/m1./s1
SMILES: C1[C@@]([C@H](C2=C(O1)C=C(C=C2)O)O)(CC3=CC=C(C=C3)O)O
InChI: InChI=1S/C16H16O5/c17-11-3-1-10(2-4-11)8-16(20)9-21-14-7-12(18)5-6-13(14)15(16)19/h1-7,15,17-20H,8-9H2/t15-,16+/m0/s1
SMILES: C[C@]1([C@H](CCC1=O)C2=COC=C2)CC/C=C/C(=O)C[C@@H]3[C@H](CCC(=O)[C@H]3C(=O)OC)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C40H48O7Si/c1-39(2,3)48(30-15-8-6-9-16-30,31-17-10-7-11-18-31)47-35-21-20-34(42)37(38(44)45-5)32(35)26-29(41)14-12-13-24-40(4)33(19-22-36(40)43)28-23-25-46-27-28/h6-12,14-18,23,25,27,32-33,35,37H,13,19-22,24,26H2,1-5H3/b14-12+/t32-,33-,35+,37+,40-/m1/s1
SMILES: CCC[C@@H]([C@@H](CCC)[Se][C@H]1[C@H]2CC[C@@](C1=O)(C2(C)C)C)NC(=O)CCC
InChI: InChI=1S/C22H39NO2Se/c1-7-10-16(23-18(24)12-9-3)17(11-8-2)26-19-15-13-14-22(6,20(19)25)21(15,4)5/h15-17,19H,7-14H2,1-6H3,(H,23,24)/t15-,16+,17-,19+,22+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)CC6=C([C@H]5C7=CC(=C(C(=C7)Cl)O)OC)C(=O)C=C(C6=O)Br
InChI: InChI=1S/C39H31BrClNO8/c1-48-23-10-13-31(49-2)20(14-23)7-4-19-5-8-22(9-6-19)42-38(46)25-12-11-24-26(34(25)39(42)47)17-27-35(30(43)18-28(40)36(27)44)33(24)21-15-29(41)37(45)32(16-21)50-3/h4-11,13-16,18,25-26,33-34,45H,12,17H2,1-3H3/t25-,26+,33-,34-/m0/s1
SMILES: C1CC[C@H]([C@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC(=O)NC4CC4
InChI: InChI=1S/C20H23N3O4S/c24-17(23-20(26)21-12-9-10-12)11-27-19(25)14-6-2-1-5-13(14)18-22-15-7-3-4-8-16(15)28-18/h3-4,7-8,12-14H,1-2,5-6,9-11H2,(H2,21,23,24,26)/t13-,14+/m0/s1
SMILES: CCOCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=CC=CC=C23)C(=O)NCCO)C(=O)C4=CC5=CC=CC=C5OC4=O
InChI: InChI=1S/C30H32N2O8/c1-2-38-15-7-13-32(29(36)21-16-18-8-3-5-10-23(18)40-30(21)37)22-17-20(28(35)31-12-14-33)25-19-9-4-6-11-24(19)39-27(25)26(22)34/h3-6,8-11,16-17,22,25-27,33-34H,2,7,12-15H2,1H3,(H,31,35)/t22-,25+,26+,27+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)NC(=O)[C@@H]2CCCN2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C20H24F6N4O2/c21-19(22,23)11-8-12(20(24,25)26)10-13(9-11)28-18(32)30-15-5-2-1-4-14(15)29-17(31)16-6-3-7-27-16/h8-10,14-16,27H,1-7H2,(H,29,31)(H2,28,30,32)/t14-,15-,16+/m1/s1
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C18H26N2O3S/c1-23-16-4-6-17(7-5-16)24(21,22)20-10-8-19(9-11-20)18-13-14-2-3-15(18)12-14/h4-7,14-15,18H,2-3,8-13H2,1H3/t14-,15+,18-/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=C(C=C(C=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7)Cl
InChI: InChI=1S/C35H28Cl2N2O7/c1-38-32(44)34(36)17-25-22(28(35(34,37)33(38)45)23-13-12-21(46-2)16-26(23)40)14-15-24-27(25)31(43)39(30(24)42)20-10-8-19(9-11-20)29(41)18-6-4-3-5-7-18/h3-14,16,24-25,27-28,40H,15,17H2,1-2H3/t24-,25+,27-,28+,34+,35-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C24H30N2O5S/c1-16-4-9-20(10-5-16)32(28,29)26(19-8-11-22(30-2)23(14-19)31-3)15-24(27)25-21-13-17-6-7-18(21)12-17/h4-5,8-11,14,17-18,21H,6-7,12-13,15H2,1-3H3,(H,25,27)/t17-,18+,21-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4/C=N/NC5=NCCCN5)O)C)O
InChI: InChI=1S/C24H40N4O2/c1-22-9-7-18(29)14-16(22)4-5-20-19(22)8-10-23(2)17(6-11-24(20,23)30)15-27-28-21-25-12-3-13-26-21/h15-20,29-30H,3-14H2,1-2H3,(H2,25,26,28)/b27-15+/t16-,17-,18+,19+,20-,22+,23-,24+/m1/s1
SMILES: COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C20H20O12/c1-29-11-4-10-13(14(24)6-2-7(22)8(23)3-9(6)30-10)16(26)19(11)32-20-18(28)17(27)15(25)12(5-21)31-20/h2-4,12,15,17-18,20-23,25-28H,5H2,1H3/t12-,15-,17+,18-,20+/m1/s1
SMILES: CCC[C@@H]1CCN[C@@H](C1)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)C
InChI: InChI=1S/C19H36N2O5S/c1-5-6-11-7-8-20-12(9-11)18(25)21-13(10(2)3)17-15(23)14(22)16(24)19(26-17)27-4/h10-17,19-20,22-24H,5-9H2,1-4H3,(H,21,25)/t11-,12+,13-,14+,15-,16-,17-,19-/m1/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H]([NH2+][C@]3([C@@H]2C1=O)C4=CC(=CC(=C4NC3=O)C)C)C
InChI: InChI=1S/C20H25N3O3/c1-5-6-7-23-17(24)14-12(4)22-20(15(14)18(23)25)13-9-10(2)8-11(3)16(13)21-19(20)26/h8-9,12,14-15,22H,5-7H2,1-4H3,(H,21,26)/p+1/t12-,14+,15-,20-/m0/s1
SMILES: C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)C2=CC3=C(C=C2)OC(=N3)CN)/C
InChI: InChI=1S/C28H40N2O6/c1-16-7-6-8-17(2)26(33)18(3)27(34)28(4,5)23(31)14-25(32)36-21(11-9-16)19-10-12-22-20(13-19)30-24(15-29)35-22/h9-10,12-13,17-18,21,23,26,31,33H,6-8,11,14-15,29H2,1-5H3/b16-9-/t17-,18+,21-,23-,26-/m0/s1
SMILES: C[C@H]1C/C=C/C(=O)O[C@H](CC(=O)O[C@H]([C@@H](/C=C/C(=O)O1)O)C)C
InChI: InChI=1S/C16H22O7/c1-10-5-4-6-14(18)22-11(2)9-16(20)23-12(3)13(17)7-8-15(19)21-10/h4,6-8,10-13,17H,5,9H2,1-3H3/b6-4+,8-7+/t10-,11-,12-,13+/m0/s1