EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)NC1=CC=C(C=C1)SC[C@@H]2[C@H]([C@@H](OC(O2)C3=CC(=CC=C3)NC(=S)C[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C5=CC=C(C=C5)CO)C6=CC=CC=C6
InChI: InChI=1S/C48H52N2O13S2/c1-27(52)49-36-18-20-38(21-19-36)65-26-41-43(33-10-7-6-8-11-33)44(34-16-14-32(24-51)15-17-34)63-48(62-41)35-12-9-13-37(22-35)50-42(64)23-39-45(58-29(3)54)47(60-31(5)56)46(59-30(4)55)40(61-39)25-57-28(2)53/h6-22,39-41,43-48,51H,23-26H2,1-5H3,(H,49,52)(H,50,64)/t39-,40+,41+,43+,44-,45-,46+,47+,48?/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/C[N+]4=CC=CC5=C4SC=C5)C(=O)O
InChI: InChI=1S/C23H20N6O5S3/c1-34-27-15(14-11-37-23(24)25-14)18(30)26-16-19(31)29-17(22(32)33)13(10-36-21(16)29)5-3-8-28-7-2-4-12-6-9-35-20(12)28/h2-7,9,11,16,21H,8,10H2,1H3,(H3-,24,25,26,30,32,33)/p+1/b5-3+,27-15-/t16-,21-/m1/s1
SMILES: CC(C)(C)NC(=O)[C@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1C4CC4)C(=O)NCC5=CC=CC=C5
InChI: InChI=1S/C24H29N3O4/c1-23(2,3)26-21(29)19-24-12-11-16(31-24)17(18(24)22(30)27(19)15-9-10-15)20(28)25-13-14-7-5-4-6-8-14/h4-8,11-12,15-19H,9-10,13H2,1-3H3,(H,25,28)(H,26,29)/t16-,17+,18-,19+,24+/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)C3C[C@H]4C=CO[C@H]4O3)CC[C@@H](C25CO5)OC(=O)C)COC(=O)C)OC(=O)C
InChI: InChI=1S/C26H36O9/c1-14-10-22(34-17(4)29)25(12-31-15(2)27)19(6-7-20(33-16(3)28)26(25)13-32-26)24(14,5)21-11-18-8-9-30-23(18)35-21/h8-9,14,18-23H,6-7,10-13H2,1-5H3/t14-,18-,19-,20+,21?,22+,23+,24+,25+,26?/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C=C5)O)F)C(=O)N(C4=O)C6CCN(CC6)CC7=CC=CC=C7
InChI: InChI=1S/C35H33FN2O5/c1-19-15-29(40)32-26(33(19)41)17-25-23(30(32)21-7-10-28(39)27(36)16-21)8-9-24-31(25)35(43)38(34(24)42)22-11-13-37(14-12-22)18-20-5-3-2-4-6-20/h2-8,10,15-16,22,24-25,30-31,39H,9,11-14,17-18H2,1H3/t24-,25+,30-,31-/m0/s1
SMILES: [H][C@]([2H])([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC=C)NC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C
InChI: InChI=1S/C29H42N2O16/c1-9-10-39-28-22(30-13(2)32)26(43-18(7)37)25(21(45-28)12-41-16(5)35)47-29-23(31-14(3)33)27(44-19(8)38)24(42-17(6)36)20(46-29)11-40-15(4)34/h9,20-29H,1,10-12H2,2-8H3,(H,30,32)(H,31,33)/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1/i12D/t12-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29-/m0
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@H](C)OC(=O)CC2=C(N3C(=NC(=N3)SC)N=C2C)C
InChI: InChI=1S/C20H29N5O3S/c1-11-8-6-7-9-16(11)22-18(27)14(4)28-17(26)10-15-12(2)21-19-23-20(29-5)24-25(19)13(15)3/h11,14,16H,6-10H2,1-5H3,(H,22,27)/t11-,14-,16+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)CC(C)(C)C)C)[C@H](C)C(=O)N4CC[NH+](CC4)C)O
InChI: InChI=1S/C27H44N4O3S/c1-16(24(34)31-12-10-30(7)11-13-31)18-8-9-27(6)14-19-22(17(2)21(27)23(18)33)29-25(35-19)28-20(32)15-26(3,4)5/h16-18,21,23,33H,8-15H2,1-7H3,(H,28,29,32)/p+1/t16-,17-,18+,21+,23-,27-/m0/s1
SMILES: C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)C3[C@H]4[C@@H]3CS(=O)C4)F)CNC(=O)CO
InChI: InChI=1S/C17H19FN2O5S/c18-14-3-9(1-2-11(14)16-12-7-26(24)8-13(12)16)20-5-10(25-17(20)23)4-19-15(22)6-21/h1-3,10,12-13,16,21H,4-8H2,(H,19,22)/t10-,12-,13+,16?,26?/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(CCC(=O)[C@H]4C(=O)OC)C)C
InChI: InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-12-13-22-20-10-11-24-26(27(31)32-6)25(30)15-17-29(24,5)23(20)14-16-28(21,22)4/h18-24,26H,7-17H2,1-6H3/t19-,20+,21-,22+,23+,24+,26+,28-,29-/m1/s1
SMILES: CC1=C(C[C@@H]([C@@H](C1)C(=O)NC2=CC(=C(C=C2)F)Cl)C(=O)O)C
InChI: InChI=1S/C16H17ClFNO3/c1-8-5-11(12(16(21)22)6-9(8)2)15(20)19-10-3-4-14(18)13(17)7-10/h3-4,7,11-12H,5-6H2,1-2H3,(H,19,20)(H,21,22)/t11-,12+/m1/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)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
InChI: InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCCCCCC2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)CCOCCOCCO
InChI: InChI=1S/C32H47N3O7/c1-4-41-32-26(15-19-39-21-22-40-20-18-36)27(23-28(42-32)30(37)34-16-11-6-5-7-12-17-34)29-24(2)33(3)35(31(29)38)25-13-9-8-10-14-25/h8-10,13-14,23,26-27,32,36H,4-7,11-12,15-22H2,1-3H3/t26-,27-,32+/m1/s1
SMILES: COC1=CC=C(C=C1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C16H18N2O7/c1-24-9-4-2-8(3-5-9)10-6-18(16(23)17-14(10)22)15-13(21)12(20)11(7-19)25-15/h2-6,11-13,15,19-21H,7H2,1H3,(H,17,22,23)/t11-,12-,13-,15-/m1/s1
SMILES: CN1CC[C@@]23CC[C@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O
InChI: InChI=1S/C17H23NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,12,14,19H,5-10H2,1-2H3/t12-,14+,17+/m1/s1
SMILES: CC[C@@H](C)C(=O)N=C1N([C@H]2CS(=O)(=O)C[C@H]2S1)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C17H20N2O5S2/c1-3-10(2)16(20)18-17-19(12-7-26(21,22)8-15(12)25-17)11-4-5-13-14(6-11)24-9-23-13/h4-6,10,12,15H,3,7-9H2,1-2H3/t10-,12+,15-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)C[NH+]4CCCC4
InChI: InChI=1S/C21H30N6O/c1-16-6-2-3-7-19(16)22-20(28)15-27-24-21(23-25-27)18-10-8-17(9-11-18)14-26-12-4-5-13-26/h8-11,16,19H,2-7,12-15H2,1H3,(H,22,28)/p+1/t16-,19-/m0/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)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)O)(C)O
InChI: InChI=1S/C30H55NO10/c1-12-21-30(8,37)25(35)17(4)22(32)15(2)14-29(7,38-11)26(18(5)23(33)19(6)27(36)40-21)41-28-24(34)20(31(9)10)13-16(3)39-28/h15-21,23-26,28,33-35,37H,12-14H2,1-11H3/t15-,16-,17+,18+,19-,20+,21-,23+,24-,25-,26-,28+,29-,30-/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)/C=C/C3=C(N=C4N3C=CC=C4)Cl
InChI: InChI=1S/C19H22ClN3O/c20-19-16(23-11-4-3-7-17(23)21-19)8-9-18(24)22-12-10-14-5-1-2-6-15(14)13-22/h3-4,7-9,11,14-15H,1-2,5-6,10,12-13H2/b9-8+/t14-,15-/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]2C[C@H](C4=CC(=O)CC[C@]34C)F)C)C(C)C
InChI: InChI=1S/C29H45FO/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(30)26-16-21(31)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25,27H,7,10-15,17H2,1-6H3/b9-8+/t19-,20-,22+,23-,24+,25+,27-,28-,29-/m1/s1
SMILES: C[C@@H]1C=CC[C@@H]2[C@]1(C(=O)OC3=CC=CC=C23)[N+](=O)[O-]
InChI: InChI=1S/C14H13NO4/c1-9-5-4-7-11-10-6-2-3-8-12(10)19-13(16)14(9,11)15(17)18/h2-6,8-9,11H,7H2,1H3/t9-,11+,14-/m1/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@@H]2[C@H]3CCCC[C@]3(CCN2C(=O)C4=CC=CC=C4)O
InChI: InChI=1S/C26H34N2O2/c1-3-27(4-2)22-15-13-20(14-16-22)24-23-12-8-9-17-26(23,30)18-19-28(24)25(29)21-10-6-5-7-11-21/h5-7,10-11,13-16,23-24,30H,3-4,8-9,12,17-19H2,1-2H3/t23-,24-,26-/m1/s1
SMILES: C[C@@H]1[C@@H](CC[C@]2(C1CC[C@]3([C@H]2[C@@H](CC\4[C@@]3(C[C@@H](/C4=C(/CCC(=C(C)C)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)\C(=O)O)OC(=O)C)C)O)C)C)O
InChI: InChI=1S/C39H50F6O6/c1-19(2)25(22-14-23(38(40,41)42)16-24(15-22)39(43,44)45)8-9-26(34(49)50)32-28-17-30(48)33-35(5)12-11-29(47)20(3)27(35)10-13-36(33,6)37(28,7)18-31(32)51-21(4)46/h14-16,20,27-31,33,47-48H,8-13,17-18H2,1-7H3,(H,49,50)/b32-26-/t20-,27?,28?,29+,30+,31-,33-,35-,36-,37-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C)OC)COC(=O)COC2=C(C=C(C=C2)CO)[N+](=O)[O-])OC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI: InChI=1S/C35H35NO15/c1-19(38)48-32-31(51-35(41)47-16-26-24-10-6-4-8-22(24)23-9-5-7-11-25(23)26)29(50-34(44-3)33(32)49-20(2)39)17-46-30(40)18-45-28-13-12-21(15-37)14-27(28)36(42)43/h4-14,26,29,31-34,37H,15-18H2,1-3H3/t29-,31-,32+,33-,34+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)Br)O)C(=O)N(C4=O)C)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C28H25BrN2O5/c1-28-20(25(34)31(27(28)36)15-6-4-3-5-7-15)13-18-16(23(28)19-12-14(29)8-11-21(19)32)9-10-17-22(18)26(35)30(2)24(17)33/h3-9,11-12,17-18,20,22-23,32H,10,13H2,1-2H3/t17-,18+,20-,22-,23+,28+/m0/s1
SMILES: CCOC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=NN(C(=C2CC3=CC=C(C=C3)OC)C)C(C)C)O)O)O
InChI: InChI=1S/C24H34N2O9/c1-6-32-24(30)33-12-18-19(27)20(28)21(29)23(34-18)35-22-17(14(4)26(25-22)13(2)3)11-15-7-9-16(31-5)10-8-15/h7-10,13,18-21,23,27-29H,6,11-12H2,1-5H3/t18-,19-,20+,21-,23+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]
InChI: InChI=1S/C20H29N3O5/c1-12-7-6-8-16(13(12)2)21-19(24)14(3)28-20(25)15-9-10-17(22(4)5)18(11-15)23(26)27/h9-14,16H,6-8H2,1-5H3,(H,21,24)/t12-,13-,14-,16+/m1/s1
SMILES: CN([C@H]1CCCC[C@H]1N2CCCC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=C/C(=O)O)\C(=O)O
InChI: InChI=1S/C23H30N2O2.C4H4O4/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-27-20-13-12-18-8-2-3-9-19(18)16-20;5-3(6)1-2-4(7)8/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t21-,22+;/m0./s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CCC6=CC=CS6)C(=O)CC7=CC(=C(C=C7)OC)OC)O)C(=C5)C(=O)C8=CC9=CC=CC=C9S8)O)C
InChI: InChI=1S/C47H53NO6S2/c1-43-17-13-32(49)27-45(43)20-21-47(34(28-45)42(51)38-26-31-8-5-6-10-37(31)56-38)39(43)14-18-44(2)40(47)15-19-46(44,52)29-48(22-16-33-9-7-23-55-33)41(50)25-30-11-12-35(53-3)36(24-30)54-4/h5-12,20-21,23-24,26,28,32,39-40,49,52H,13-19,22,25,27,29H2,1-4H3/t32?,39-,40-,43-,44+,45+,46-,47-/m1/s1
SMILES: CON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)SC)CCCCO)CCCCO)OCC=C)N(CC6=CC=C(C=C6)F)C(=O)C7=CC=C(C=C7)C#N
InChI: InChI=1S/C50H54FN3O7S/c1-4-27-59-50-46(54(32-34-13-17-37(51)18-14-34)49(57)35-15-11-33(31-52)12-16-35)30-44(53-58-2)42-28-36(9-5-7-25-55)41(10-6-8-26-56)47(48(42)50)43-29-39(21-24-45(43)61-50)60-38-19-22-40(62-3)23-20-38/h4,11-24,28-29,36,41,46-48,55-56H,1,5-10,25-27,30,32H2,2-3H3/t36-,41+,46-,47+,48+,50+/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)COC(=O)OC(C)(C)C(C)(Cl)Cl)OCC[Si](C)(C)C)NC(=O)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C60H95Cl5NO15PSi/c1-9-11-13-15-17-19-20-22-24-26-34-40-50(67)75-48(39-29-25-23-21-18-16-14-12-10-2)43-51(68)77-54-52(66-56(69)74-45-60(63,64)65)55(72-41-42-83(6,7)8)76-49(44-73-57(70)78-58(3,4)59(5,61)62)53(54)81-82(71,79-46-35-30-27-31-36-46)80-47-37-32-28-33-38-47/h27-28,30-33,35-38,48-49,52-55H,9-26,29,34,39-45H2,1-8H3,(H,66,69)/t48-,49-,52-,53-,54-,55-/m1/s1
SMILES: CCSCCNC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2C[C@H]4[C@@H]3N4)OC)COC(=O)N)C
InChI: InChI=1S/C19H26N4O5S/c1-4-29-6-5-21-13-9(2)15(24)14-12(16(13)25)10(8-28-18(20)26)19(27-3)17-11(22-17)7-23(14)19/h10-11,17,21-22H,4-8H2,1-3H3,(H2,20,26)/t10-,11+,17+,19-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2O[C@@H]3[C@H](O2)[C@@H]4OC[C@H]([C@H]3O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)O4
InChI: InChI=1S/C48H42O15/c1-53-33-24-22-32(23-25-33)46-62-39-37(35-27-55-47(56-35)40(39)63-46)61-48-41(60-45(52)31-20-12-5-13-21-31)38(59-44(51)30-18-10-4-11-19-30)36(58-43(50)29-16-8-3-9-17-29)34(57-48)26-54-42(49)28-14-6-2-7-15-28/h2-25,34-41,46-48H,26-27H2,1H3/t34-,35-,36+,37-,38+,39+,40+,41-,46-,47-,48+/m1/s1
SMILES: COC(=O)[C@@H]1[C@@]2(C(=C([C@]1([C@@]3([C@]2(C(=C(C3=O)C(=O)OC)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)O)C(=O)OC)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C42H34O10/c1-49-35(44)29-30(25-17-9-5-10-18-25)40(28-23-15-8-16-24-28)39(27-21-13-7-14-22-27)31(26-19-11-6-12-20-26)32(36(45)50-2)42(48,33(39)37(46)51-3)41(40,34(29)43)38(47)52-4/h5-24,33,48H,1-4H3/t33-,39+,40+,41-,42+/m1/s1
SMILES: COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C19H26N2O2/c1-23-17-4-2-3-16(13-17)19(22)21-9-7-20(8-10-21)18-12-14-5-6-15(18)11-14/h2-4,13-15,18H,5-12H2,1H3/p+1/t14-,15+,18-/m0/s1
SMILES: CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI: InChI=1S/C22H26N2O4S/c1-29(26,27)24(15-22(25)23-21-14-16-7-8-17(21)13-16)18-9-11-20(12-10-18)28-19-5-3-2-4-6-19/h2-6,9-12,16-17,21H,7-8,13-15H2,1H3,(H,23,25)/t16-,17+,21-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=C(C(=C(C=C5)OC)OC)OC
InChI: InChI=1S/C27H26N2O6/c1-16-10-12-17(13-11-16)28-26(30)21-22(19-14-15-20(32-2)24(34-4)23(19)33-3)29(35-25(21)27(28)31)18-8-6-5-7-9-18/h5-15,21-22,25H,1-4H3/t21-,22+,25+/m1/s1
SMILES: CC(=O)OC[C@]1(CC(=O)C[C@@]2([C@@H]1CCC3=C[C@](CC[C@H]32)(C)C=C)C)C
InChI: InChI=1S/C22H32O3/c1-6-20(3)10-9-18-16(11-20)7-8-19-21(4,14-25-15(2)23)12-17(24)13-22(18,19)5/h6,11,18-19H,1,7-10,12-14H2,2-5H3/t18-,19-,20-,21-,22+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(C)(C)C3CC4=C(O3)C=C5C(=C4)C=CC(=O)O5)O)O)O)O)O)O
InChI: InChI=1S/C26H34O13/c1-10-18(28)20(30)22(32)24(35-10)34-9-15-19(29)21(31)23(33)25(38-15)39-26(2,3)16-7-12-6-11-4-5-17(27)37-13(11)8-14(12)36-16/h4-6,8,10,15-16,18-25,28-33H,7,9H2,1-3H3/t10-,15-,16?,18-,19-,20+,21+,22+,23-,24+,25+/m1/s1
SMILES: COCC1=CC=CC(=C1)C[C@@H](/C=C/[C@H]2[C@@H](C[C@H]([C@@H]2CCSCCCCO)Cl)O)O
InChI: InChI=1S/C23H35ClO4S/c1-28-16-18-6-4-5-17(13-18)14-19(26)7-8-21-20(22(24)15-23(21)27)9-12-29-11-3-2-10-25/h4-8,13,19-23,25-27H,2-3,9-12,14-16H2,1H3/b8-7+/t19-,20-,21-,22-,23-/m1/s1
SMILES: CN1CC[C@]23CC(=O)C(=C[C@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
InChI: InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13-,19-/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3([C@H]4N2C5=C(C=C4)C=C(C=C5)F)C(=O)C6=CC=CC=C6C3=O)C7=CC=CC=C7F
InChI: InChI=1S/C34H23F2NO3/c1-19-10-12-20(13-11-19)31(38)30-29(25-8-4-5-9-26(25)36)34(32(39)23-6-2-3-7-24(23)33(34)40)28-17-14-21-18-22(35)15-16-27(21)37(28)30/h2-18,28-30H,1H3/t28-,29-,30+/m0/s1
SMILES: CC1=CC=C(C=C1)O[C@H]2C=C[C@H]3[C@H](O2)COC(O3)(C)C
InChI: InChI=1S/C16H20O4/c1-11-4-6-12(7-5-11)18-15-9-8-13-14(19-15)10-17-16(2,3)20-13/h4-9,13-15H,10H2,1-3H3/t13-,14+,15+/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@@H]2[C@@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)C(=O)[O-]
InChI: InChI=1S/C21H19NO4/c1-26-21(25)13-7-5-12(6-8-13)19-16-4-2-3-15(16)17-11-14(20(23)24)9-10-18(17)22-19/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/p-1/t15-,16-,19-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3CC=C([C@@H]3[N+](C)(C)C)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C30H38NO3SSi/c1-30(2,3)36(25-18-12-8-13-19-25,26-20-14-9-15-21-26)34-27-22-23-28(29(27)31(4,5)6)35(32,33)24-16-10-7-11-17-24/h7-21,23,27,29H,22H2,1-6H3/q+1/t27-,29+/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CC8=CC=CC=C8
InChI: InChI=1S/C41H35ClFN3O6/c1-2-52-33-10-6-9-30(36(33)47)35-28-19-20-29-34(39(50)45(37(29)48)22-23-7-4-3-5-8-23)31(28)21-32-38(49)46(44-27-17-15-26(43)16-18-27)40(51)41(32,35)24-11-13-25(42)14-12-24/h3-19,29,31-32,34-35,44,47H,2,20-22H2,1H3/t29-,31+,32-,34-,35+,41+/m0/s1
SMILES: COC(=O)/C=C/CN1[C@@H]([C@@H](C1=O)OCC2=CC=CC=C2)C#C
InChI: InChI=1S/C17H17NO4/c1-3-14-16(22-12-13-8-5-4-6-9-13)17(20)18(14)11-7-10-15(19)21-2/h1,4-10,14,16H,11-12H2,2H3/b10-7+/t14-,16+/m1/s1
SMILES: CC1=C[C@H]2C=C[C@@H](C1=O)[C@H]3[C@@H]2C4=CC=CC=C34
InChI: InChI=1S/C16H14O/c1-9-8-10-6-7-13(16(9)17)15-12-5-3-2-4-11(12)14(10)15/h2-8,10,13-15H,1H3/t10-,13-,14+,15+/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)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.O.O
InChI: InChI=1S/C47H51NO14.2H2O/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5;;/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54);2*1H2/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+;;/m0../s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)C(=O)C(=O)OCC2=CC=CC=C2)[C@H]3CCC[C@@H](C3=O)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H39NO7Si/c1-17(35-36(6,7)27(2,3)4)21-22(19-14-11-15-20(33-5)23(19)29)28(24(21)30)25(31)26(32)34-16-18-12-9-8-10-13-18/h8-10,12-13,17,19-22H,11,14-16H2,1-7H3/t17-,19-,20+,21-,22-/m1/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=CS5)C
InChI: InChI=1S/C23H20N2O3S/c1-14-10-11-17(15(2)13-14)24-22(26)19-20(18-9-6-12-29-18)25(28-21(19)23(24)27)16-7-4-3-5-8-16/h3-13,19-21H,1-2H3/t19-,20+,21+/m0/s1
SMILES: CCCC1[C@@]([C@@H]([C@H](C2C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC3C[C@@](C([C@@H](O3)C)O)(C)OC)C)OC4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)(C)O
InChI: InChI=1S/C38H69NO12/c1-14-15-26-38(10,44)31(41)21(4)29-19(2)17-37(9,51-29)33(50-35-28(40)25(39(11)12)16-20(3)46-35)22(5)30(23(6)34(43)48-26)49-27-18-36(8,45-13)32(42)24(7)47-27/h19-33,35,40-42,44H,14-18H2,1-13H3/t19?,20-,21+,22+,23-,24+,25+,26?,27?,28-,29?,30+,31-,32?,33-,35?,36-,37-,38-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)CCN3C(=O)OC(=N3)C4=CC=CS4
InChI: InChI=1S/C18H23N3O3S/c22-16(20-10-3-6-13-5-1-2-7-14(13)20)9-11-21-18(23)24-17(19-21)15-8-4-12-25-15/h4,8,12-14H,1-3,5-7,9-11H2/t13-,14-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C32H31ClO4/c33-28-18-16-27(17-19-28)30-32(36-22-26-14-8-3-9-15-26)31(35-21-25-12-6-2-7-13-25)29(37-30)23-34-20-24-10-4-1-5-11-24/h1-19,29-32H,20-23H2/t29-,30+,31-,32+/m1/s1
SMILES: C[C@]12CC/C(=N\OCCO)/C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C
InChI: InChI=1S/C21H35NO3/c1-20-9-7-15(22-25-12-11-23)13-14(20)3-4-16-17-5-6-19(24)21(17,2)10-8-18(16)20/h14,16-19,23-24H,3-13H2,1-2H3/b22-15+/t14-,16-,17-,18-,19-,20-,21-/m0/s1
SMILES: C/C=C\1/CN2[C@H]3C[C@@H]1[C@H]([C@@H]2CC4=C3N(C5=CC=CC=C45)C)C(=O)OC
InChI: InChI=1S/C21H24N2O2/c1-4-12-11-23-17-10-15-13-7-5-6-8-16(13)22(2)20(15)18(23)9-14(12)19(17)21(24)25-3/h4-8,14,17-19H,9-11H2,1-3H3/b12-4-/t14-,17-,18-,19+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@H]2CN(CC3)C)C(=O)COC4=CC=C(C=C4)OC
InChI: InChI=1S/C22H26N2O3/c1-15-4-9-20-18(12-15)19-13-23(2)11-10-21(19)24(20)22(25)14-27-17-7-5-16(26-3)6-8-17/h4-9,12,19,21H,10-11,13-14H2,1-3H3/t19-,21+/m0/s1
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCOCCOCCOCCCN3CC4=C(CC(C3=O)CC(=O)O)C=CC(=C4)OCCCNC5=CC=CC=N5)NC(=O)N2
InChI: InChI=1S/C40H58N6O9S/c47-36(10-2-1-8-34-38-33(28-56-34)44-40(51)45-38)43-15-5-17-52-20-22-54-23-21-53-18-7-16-46-27-31-25-32(55-19-6-14-42-35-9-3-4-13-41-35)12-11-29(31)24-30(39(46)50)26-37(48)49/h3-4,9,11-13,25,30,33-34,38H,1-2,5-8,10,14-24,26-28H2,(H,41,42)(H,43,47)(H,48,49)(H2,44,45,51)/t30?,33-,34-,38-/m0/s1
SMILES: CCCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4
InChI: InChI=1S/C22H27NO5S/c1-3-8-28-22(27)18-14-7-4-11(2)9-15(14)29-20(18)23-19(24)16-12-5-6-13(10-12)17(16)21(25)26/h5-6,11-13,16-17H,3-4,7-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,12-,13+,16-,17+/m1/s1
SMILES: CCCN(C(C(C)C)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)CNC(=O)OC(C)(C)C
InChI: InChI=1S/C49H63N3O9/c1-7-28-52(41(53)29-50-48(55)61-49(4,5)6)42(35(2)3)46(54)51-47-45(59-33-39-26-18-11-19-27-39)44(58-32-38-24-16-10-17-25-38)43(57-31-37-22-14-9-15-23-37)40(60-47)34-56-30-36-20-12-8-13-21-36/h8-27,35,40,42-45,47H,7,28-34H2,1-6H3,(H,50,55)(H,51,54)/t40-,42?,43-,44+,45-,47-/m1/s1
SMILES: CC(=O)OC(C(=O)OCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(C)(C)O
InChI: InChI=1S/C20H28O11/c1-10(22)29-17(20(2,3)27)18(26)28-9-11-4-6-12(7-5-11)30-19-16(25)15(24)14(23)13(8-21)31-19/h4-7,13-17,19,21,23-25,27H,8-9H2,1-3H3/t13-,14-,15+,16-,17?,19-/m1/s1
SMILES: CCSC1=NN2[C@H]([C@@H]3C(=O)CC(C=C3NC2=N1)(C)C)C4=CC=CC=C4O
InChI: InChI=1S/C19H22N4O2S/c1-4-26-18-21-17-20-12-9-19(2,3)10-14(25)15(12)16(23(17)22-18)11-7-5-6-8-13(11)24/h5-9,15-16,24H,4,10H2,1-3H3,(H,20,21,22)/t15-,16-/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)[C@@]4(C1=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N
InChI: InChI=1S/C49H50N4O9/c1-29(2)38(44(56)61-3)51-47(59)52-36-23-18-30(24-27-48(60)25-12-4-5-13-26-48)28-35(36)49(46(52)58)37(43(50)55)40-45(57)62-41(32-16-10-7-11-17-32)39(31-14-8-6-9-15-31)53(40)42(49)33-19-21-34(54)22-20-33/h6-11,14-23,28-29,37-42,54,60H,4-5,12-13,25-26H2,1-3H3,(H2,50,55)(H,51,59)/t37-,38+,39-,40-,41+,42+,49-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=CC=C5)O)C(=O)NC4=O)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C27H22ClFN2O5/c1-27-18(25(35)31(26(27)36)13-5-8-20(29)19(28)10-13)11-17-15(22(27)12-3-2-4-14(32)9-12)6-7-16-21(17)24(34)30-23(16)33/h2-6,8-10,16-18,21-22,32H,7,11H2,1H3,(H,30,33,34)/t16-,17+,18-,21-,22-,27+/m0/s1
SMILES: CC(C)NC(=O)C1[C@@H]([C@H](CN1C(=O)CNC(=O)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H49N3O5Si2/c1-16(2)26-22(30)20-21(32-34(12,13)24(7,8)9)18(31-33(10,11)23(4,5)6)15-27(20)19(29)14-25-17(3)28/h16,18,20-21H,14-15H2,1-13H3,(H,25,28)(H,26,30)/t18-,20?,21+/m0/s1
SMILES: CCOC(=O)[C@H](C#N)[C@]1(C[C@@H]([NH+](C[C@@H]1C)C)C)CC2=CC=CC=C2
InChI: InChI=1S/C20H28N2O2/c1-5-24-19(23)18(13-21)20(12-17-9-7-6-8-10-17)11-16(3)22(4)14-15(20)2/h6-10,15-16,18H,5,11-12,14H2,1-4H3/p+1/t15-,16-,18-,20+/m0/s1
SMILES: CCOC1=CC=CC=C1[C@@H]2[C@@H](C(=O)NC(=C2C#N)S)C(=O)OC
InChI: InChI=1S/C16H16N2O4S/c1-3-22-11-7-5-4-6-9(11)12-10(8-17)15(23)18-14(19)13(12)16(20)21-2/h4-7,12-13,23H,3H2,1-2H3,(H,18,19)/t12-,13-/m0/s1
SMILES: CCCN1CCC[C@H]2[C@H]1COC3=C2C=CC=C3OC(=O)C4=CC=CC=C4.Cl
InChI: InChI=1S/C22H25NO3.ClH/c1-2-13-23-14-7-11-17-18-10-6-12-20(21(18)25-15-19(17)23)26-22(24)16-8-4-3-5-9-16;/h3-6,8-10,12,17,19H,2,7,11,13-15H2,1H3;1H/t17-,19-;/m1./s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)CC(=O)OCC(=O)NC4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C23H22N2O5/c26-18(24-17-7-3-5-13-4-1-2-6-16(13)17)12-30-19(27)11-25-22(28)20-14-8-9-15(10-14)21(20)23(25)29/h1-7,14-15,20-21H,8-12H2,(H,24,26)/t14-,15+,20-,21-/m0/s1
SMILES: CC1=CC(=CC(=C1)O[C@H]2[C@H](S(=O)(=O)[C@@H]([C@@H]([C@@H]([C@H]2O)O)OC3=CC(=CC(=C3)C)C)CC4=CC=CC=C4)CC5=CC=CC=C5)C
InChI: InChI=1S/C36H40O6S/c1-23-15-24(2)18-29(17-23)41-35-31(21-27-11-7-5-8-12-27)43(39,40)32(22-28-13-9-6-10-14-28)36(34(38)33(35)37)42-30-19-25(3)16-26(4)20-30/h5-20,31-38H,21-22H2,1-4H3/t31-,32-,33-,34-,35+,36+/m1/s1
SMILES: CC1=C(C[C@]2(CC1)C(=C)C[C@@H]([C@@H](C2(C)C)Br)OC(=O)C)Cl
InChI: InChI=1S/C17H24BrClO2/c1-10-6-7-17(9-13(10)19)11(2)8-14(21-12(3)20)15(18)16(17,4)5/h14-15H,2,6-9H2,1,3-5H3/t14-,15-,17+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[P@@](=O)(O[C@H]1[C@@H]([C@H](CO)O)O)OC)O
InChI: InChI=1S/C10H20NO8P/c1-5(13)11-8-7(15)4-20(17,18-2)19-10(8)9(16)6(14)3-12/h6-10,12,14-16H,3-4H2,1-2H3,(H,11,13)/t6-,7-,8+,9+,10+,20-/m0/s1
SMILES: CCCN1C[C@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)NC(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C25H29N3O2/c1-2-11-28-15-19(27-25(29)30-16-17-7-4-3-5-8-17)13-21-20-9-6-10-22-24(20)18(14-26-22)12-23(21)28/h3-10,14,19,21,23,26H,2,11-13,15-16H2,1H3,(H,27,29)/t19-,21+,23+/m0/s1
SMILES: C1COCCN1[C@H]2[C@@H](N(C(=N2)N3CCOCC3)C(=O)C4=CC=CC=C4)N5CCOCC5
InChI: InChI=1S/C22H31N5O4/c28-21(18-4-2-1-3-5-18)27-20(25-8-14-30-15-9-25)19(24-6-12-29-13-7-24)23-22(27)26-10-16-31-17-11-26/h1-5,19-20H,6-17H2/t19-,20+/m0/s1
SMILES: CC12COC(OC1)(OC2)[C@H]([C@@H]3CN=N[C@H]3C(=O)OC(C)(C)C)NC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C23H31N3O7/c1-21(2,3)33-19(27)17-16(10-24-26-17)18(23-30-12-22(4,13-31-23)14-32-23)25-20(28)29-11-15-8-6-5-7-9-15/h5-9,16-18H,10-14H2,1-4H3,(H,25,28)/t16-,17-,18+,22?,23?/m1/s1
SMILES: CC(C)COC(=O)C1=CC2=C(C=C1)N[C@@H]([C@@H]3[C@H]2C=CC3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C23H24N2O4/c1-14(2)13-29-23(26)16-8-11-21-20(12-16)18-4-3-5-19(18)22(24-21)15-6-9-17(10-7-15)25(27)28/h3-4,6-12,14,18-19,22,24H,5,13H2,1-2H3/t18-,19+,22-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)CC2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C19H29N3O3S/c1-12-6-5-7-16(13(12)2)20-19(26)22-21-18(23)10-14-8-9-15(24-3)11-17(14)25-4/h8-9,11-13,16H,5-7,10H2,1-4H3,(H,21,23)(H2,20,22,26)/t12-,13+,16+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OC(=O)C(C)(C)C)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C42H53NO9/c1-27(44)43-32-34(51-37(46)40(5,6)7)33(50-36(45)39(2,3)4)31(49-35(32)52-38(47)41(8,9)10)26-48-42(28-20-14-11-15-21-28,29-22-16-12-17-23-29)30-24-18-13-19-25-30/h11-25,31-35H,26H2,1-10H3,(H,43,44)/t31-,32-,33-,34-,35?/m1/s1
SMILES: CC[C@H](C)C(=O)O[C@@H](C[C@]1([C@@H](C[C@@H]([C@@]2([C@@H]1[C@@H](CCC23CO3)OC(=O)/C(=C/C)/C)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4
InChI: InChI=1S/C34H48O11/c1-9-19(3)30(38)44-25-11-12-33(17-42-33)34(18-41-22(6)35)27(43-23(7)36)13-21(5)32(8,29(25)34)15-26(24-14-28(37)40-16-24)45-31(39)20(4)10-2/h9,14,20-21,25-27,29H,10-13,15-18H2,1-8H3/b19-9+/t20-,21+,25+,26-,27-,29+,32-,33?,34+/m0/s1