EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CSC6=CC=C(C=C6)C(=O)O
InChI: InChI=1S/C40H32F5NO6S/c1-21-30(20-53-28-16-14-25(15-17-28)39(49)50)51-40(52-37(21)24-8-6-22(19-47)7-9-24)26-12-10-23(11-13-26)29-5-3-2-4-27(29)18-46-38(48)31-32(41)34(43)36(45)35(44)33(31)42/h2-17,21,30,37,40,47H,18-20H2,1H3,(H,46,48)(H,49,50)/t21-,30+,37+,40+/m0/s1
SMILES: C[C@@H]1[C@@H]2C3=C(C=CC(=C3)[N+](=O)[O-])O[C@]1(N(C(=S)N2)C4=C(C=CC=C4C)C)C
InChI: InChI=1S/C20H21N3O3S/c1-11-6-5-7-12(2)18(11)22-19(27)21-17-13(3)20(22,4)26-16-9-8-14(23(24)25)10-15(16)17/h5-10,13,17H,1-4H3,(H,21,27)/t13-,17-,20-/m1/s1
SMILES: C=CC[C@@]1([C@H]([C@@H]([C@H](O1)CO)O)Br)N2C=CC(=O)NC2=O
InChI: InChI=1S/C12H15BrN2O5/c1-2-4-12(10(13)9(18)7(6-16)20-12)15-5-3-8(17)14-11(15)19/h2-3,5,7,9-10,16,18H,1,4,6H2,(H,14,17,19)/t7-,9-,10+,12-/m1/s1
SMILES: C[C@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@H]4CNCC5=CC=C(C=C5)OC)C
InChI: InChI=1S/C23H31NO4/c1-14-5-4-10-22(2)11-18-19(20-23(14,22)28-20)17(21(25)27-18)13-24-12-15-6-8-16(26-3)9-7-15/h6-9,14,17-20,24H,4-5,10-13H2,1-3H3/t14-,17-,18+,19+,20-,22+,23-/m0/s1
SMILES: C1CCC(CC1)C(C2C[C@@H]([C@H](C2)C3=CC=CC=C3)CN4CCC(CC4)CCCC5=CC=C(C=C5)C#N)C(=O)O
InChI: InChI=1S/C35H46N2O2/c36-24-28-16-14-26(15-17-28)8-7-9-27-18-20-37(21-19-27)25-32-22-31(23-33(32)29-10-3-1-4-11-29)34(35(38)39)30-12-5-2-6-13-30/h1,3-4,10-11,14-17,27,30-34H,2,5-9,12-13,18-23,25H2,(H,38,39)/t31?,32-,33-,34?/m1/s1
SMILES: CCN(CC)C(=O)C1=CC2=C(C=C1)N[C@H]([C@H]3[C@H]2C=CC3)C(=O)O
InChI: InChI=1S/C18H22N2O3/c1-3-20(4-2)17(21)11-8-9-15-14(10-11)12-6-5-7-13(12)16(19-15)18(22)23/h5-6,8-10,12-13,16,19H,3-4,7H2,1-2H3,(H,22,23)/t12-,13-,16-/m1/s1
SMILES: CCC1=NOC(=C1)C2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)NCCN5CCCCC5)NC6=CC(=C(C=C6)O)F)O)O
InChI: InChI=1S/C27H33FN8O5/c1-2-15-13-19(41-34-15)23-21(38)22(39)26(40-23)36-14-30-20-24(31-16-6-7-18(37)17(28)12-16)32-27(33-25(20)36)29-8-11-35-9-4-3-5-10-35/h6-7,12-14,21-23,26,37-39H,2-5,8-11H2,1H3,(H2,29,31,32,33)/t21-,22+,23?,26+/m0/s1
SMILES: CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2N3C=C(N=N3)C4=CC=CC=C4
InChI: InChI=1S/C15H17N3O3/c1-19-13-9-21-14-12(8-20-15(13)14)18-7-11(16-17-18)10-5-3-2-4-6-10/h2-7,12-15H,8-9H2,1H3/t12-,13+,14+,15+/m0/s1
SMILES: C1CC[C@H]([C@H](C1)NCC2=CC=C(C=C2)Cl)NC(=O)CNC(=O)C3=C(C=CC(=C3)C(F)(F)F)N
InChI: InChI=1S/C23H26ClF3N4O2/c24-16-8-5-14(6-9-16)12-29-19-3-1-2-4-20(19)31-21(32)13-30-22(33)17-11-15(23(25,26)27)7-10-18(17)28/h5-11,19-20,29H,1-4,12-13,28H2,(H,30,33)(H,31,32)/t19-,20+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC34[C@H]([C@@H](C(CO3)CO4)O)O
InChI: InChI=1S/C23H30O5Si/c1-22(2,3)29(18-10-6-4-7-11-18,19-12-8-5-9-13-19)28-16-23-21(25)20(24)17(14-26-23)15-27-23/h4-13,17,20-21,24-25H,14-16H2,1-3H3/t17?,20-,21+,23?/m1/s1
SMILES: COC(=O)CCC/C=C\C[C@@H]1[C@H]([C@@H](CC1=O)O)COC(=O)NCCC2=CC=CC=C2
InChI: InChI=1S/C23H31NO6/c1-29-22(27)12-8-3-2-7-11-18-19(21(26)15-20(18)25)16-30-23(28)24-14-13-17-9-5-4-6-10-17/h2,4-7,9-10,18-19,21,26H,3,8,11-16H2,1H3,(H,24,28)/b7-2-/t18-,19-,21-/m1/s1
SMILES: CCN(CC)[C@@]12C(=NO[C@@]1([C@@]3([P@]2SC(=C3C(=O)OC)C(C)(C)C)C(=O)OC)N(CC)CC)C4=C(C=C(C=C4C)C)C
InChI: InChI=1S/C31H46N3O5PS/c1-13-33(14-2)30-24(22-20(6)17-19(5)18-21(22)7)32-39-31(30,34(15-3)16-4)29(27(36)38-12)23(26(35)37-11)25(28(8,9)10)41-40(29)30/h17-18H,13-16H2,1-12H3/t29-,30+,31+,40+/m0/s1
SMILES: CC(=O)CCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@H]1OC(=O)CCC(=O)C)OC)CO)OC(=O)NC2=CC=CC=C2
InChI: InChI=1S/C24H31NO11/c1-14(27)9-11-18(29)34-21-20(36-24(31)25-16-7-5-4-6-8-16)17(13-26)33-23(32-3)22(21)35-19(30)12-10-15(2)28/h4-8,17,20-23,26H,9-13H2,1-3H3,(H,25,31)/t17-,20-,21+,22+,23+/m1/s1
SMILES: C1C2=C(C3=CC=CC=C31)C4=C(C=C2)[C@@H]([C@H]([C@@H]5[C@H]4O5)O)O
InChI: InChI=1S/C17H14O3/c18-14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)16-17(20-16)15(14)19/h1-6,14-19H,7H2/t14-,15+,16-,17+/m0/s1
SMILES: CN1C(=O)CCC2=CC(=C(C=C21)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4)OC
InChI: InChI=1S/C23H29N3O2/c1-26-20-13-18(21(28-2)14-17(20)10-11-22(26)27)15-25-19-9-6-12-24-23(19)16-7-4-3-5-8-16/h3-5,7-8,13-14,19,23-25H,6,9-12,15H2,1-2H3/t19-,23-/m0/s1
SMILES: C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/C2=CSC(=N2)N
InChI: InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
SMILES: CCCCCCCCCCCCCC[C@@H]([C@@H]1C[C@H]([C@H](O1)[C@@H]2CC[C@@H](OC(O2)(C)C)CCCCC[C@H](CC3=C[C@@H](OC3=O)C)O)O)O
InChI: InChI=1S/C38H68O8/c1-5-6-7-8-9-10-11-12-13-14-15-19-22-32(40)35-27-33(41)36(44-35)34-24-23-31(45-38(3,4)46-34)21-18-16-17-20-30(39)26-29-25-28(2)43-37(29)42/h25,28,30-36,39-41H,5-24,26-27H2,1-4H3/t28-,30+,31-,32-,33+,34-,35-,36-/m0/s1
SMILES: CC[C@]1(CCC2=C([C@H]1O[C@@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@H]4CC[C@@H]([C@@H](O4)C)O[C@H]5CC[C@@H]([C@@H](O5)C)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C=CC(=C7C6=O)O)O)O)O
InChI: InChI=1S/C40H53NO14/c1-7-40(49)15-14-20-29(35(46)33-32(34(20)45)36(47)30-23(43)8-9-24(44)31(30)37(33)48)39(40)55-28-16-21(41(5)6)38(19(4)52-28)54-27-13-11-25(18(3)51-27)53-26-12-10-22(42)17(2)50-26/h8-9,17-19,21-22,25-28,38-39,42-46,49H,7,10-16H2,1-6H3/t17-,18-,19-,21-,22-,25-,26-,27-,28+,38+,39+,40+/m0/s1
SMILES: CC(C)N1C(=O)[C@H]2[C@@H](NN([C@H]2C1=O)C)C3=CC=C(C=C3)C(=O)OC
InChI: InChI=1S/C17H21N3O4/c1-9(2)20-15(21)12-13(18-19(3)14(12)16(20)22)10-5-7-11(8-6-10)17(23)24-4/h5-9,12-14,18H,1-4H3/t12-,13-,14+/m0/s1
SMILES: CC[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CC=C3OC)C(=O)N(C2=O)CC)C(=O)OC
InChI: InChI=1S/C19H24N2O5/c1-5-19(18(24)26-4)14-13(16(22)21(6-2)17(14)23)15(20-19)11-9-7-8-10-12(11)25-3/h7-10,13-15,20H,5-6H2,1-4H3/t13-,14+,15-,19-/m0/s1
SMILES: CC1([C@H]2[C@@H]1C3([C@@H]4[C@@H](C4(C)C)C2(N=N3)C(=O)O)C(=O)O)C
InChI: InChI=1S/C14H18N2O4/c1-11(2)5-6(11)14(10(19)20)8-7(12(8,3)4)13(5,9(17)18)15-16-14/h5-8H,1-4H3,(H,17,18)(H,19,20)/t5-,6+,7+,8-,13?,14?
SMILES: C[C@@H]1CC[C@@H]2[C@@H]([C@]1(CC/C(=C/CC[C@@]3([C@@H](C2=O)O3)C)/C)C)C=O
InChI: InChI=1S/C20H30O3/c1-13-6-5-10-20(4)18(23-20)17(22)15-8-7-14(2)19(3,11-9-13)16(15)12-21/h6,12,14-16,18H,5,7-11H2,1-4H3/b13-6+/t14-,15-,16+,18-,19+,20-/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)CCC4=CC(=O)C=C[C@]34C)O
InChI: InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CCOC3=CC=C(C=C3)C
InChI: InChI=1S/C18H24N2O3/c1-13-6-8-15(9-7-13)23-12-11-20-16(21)18(19-17(20)22)10-4-3-5-14(18)2/h6-9,14H,3-5,10-12H2,1-2H3,(H,19,22)/t14-,18+/m1/s1
SMILES: CO[C@H]1C2=C(C=C(C=C2)O)OC[C@@]1(CC3=CC(=C(C=C3)O)OC)O
InChI: InChI=1S/C18H20O6/c1-22-16-7-11(3-6-14(16)20)9-18(21)10-24-15-8-12(19)4-5-13(15)17(18)23-2/h3-8,17,19-21H,9-10H2,1-2H3/t17-,18+/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@H](C1)OC[S+](C2(C)C)CC3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C22H35OS/c1-16-7-12-19-20(13-16)23-15-24(22(19,5)6)14-17-8-10-18(11-9-17)21(2,3)4/h8-11,16,19-20H,7,12-15H2,1-6H3/q+1/t16-,19-,20-,24?/m0/s1
SMILES: CC(C)[NH+]1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C25H29N5/c1-16(2)30-11-10-19-20(12-26)23(29)25(14-27,15-28)22(21(19)13-30)17-6-8-18(9-7-17)24(3,4)5/h6-10,16,20-22,29H,11,13H2,1-5H3/p+1/t20?,21-,22+/m0/s1
SMILES: CC1=CC=C(C=C1)CN([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO)C(=O)CCCC(=O)C
InChI: InChI=1S/C31H38N2O8/c1-18-7-9-20(10-8-18)16-33(26(37)6-4-5-19(2)36)24-15-23(31(39)32-11-12-34)27-22-13-21(17-35)14-25(40-3)29(22)41-30(27)28(24)38/h7-10,13-15,24,27-28,30,34-35,38H,4-6,11-12,16-17H2,1-3H3,(H,32,39)/t24-,27+,28+,30+/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@]([C@@]1(CC[C@]3([C@@H](CC[C@@]45C3CC[C@H](O4)C(O5)(C)C)C)C)O)(CCC(=O)C(O2)(C)C)C
InChI: InChI=1S/C30H50O5/c1-19-13-16-30-21(10-12-23(34-30)26(5,6)35-30)27(19,7)17-18-29(32)20(2)9-11-24-28(29,8)15-14-22(31)25(3,4)33-24/h19-21,23-24,32H,9-18H2,1-8H3/t19-,20+,21?,23+,24+,27+,28-,29+,30-/m1/s1
SMILES: C1=CC=C2[C@H]3[C@H](N3N4C=NC5=CC=CC=C5C4=O)C=CC2=C1
InChI: InChI=1S/C18H13N3O/c22-18-14-7-3-4-8-15(14)19-11-20(18)21-16-10-9-12-5-1-2-6-13(12)17(16)21/h1-11,16-17H/t16-,17+,21?/m1/s1
SMILES: C[C@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CCC(CC4)CC5=CC=CC=C5)O)C
InChI: InChI=1S/C27H37NO3/c1-18-7-6-10-21-16-23-24(25(29)27(18,21)2)22(26(30)31-23)17-28-13-11-20(12-14-28)15-19-8-4-3-5-9-19/h3-5,8-10,18,20,22-25,29H,6-7,11-17H2,1-2H3/p+1/t18-,22-,23+,24+,25+,27+/m0/s1
SMILES: CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@@H]([C@@H](N2C(=O)N3CCN(CC3)C(=O)CO)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C32H34Cl2N4O5/c1-20(2)43-27-18-25(42-3)12-13-26(27)31-35-29(21-4-8-23(33)9-5-21)30(22-6-10-24(34)11-7-22)38(31)32(41)37-16-14-36(15-17-37)28(40)19-39/h4-13,18,20,29-30,39H,14-17,19H2,1-3H3/t29-,30+/m1/s1
SMILES: CC[C@@H](C)C(=O)O[C@@H]1C[C@@H](C=C2[C@@H]1[C@@H]([C@@H](C=C2)C)CC[C@H]3C[C@@H](CC(=O)O3)O)C
InChI: InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m1/s1
SMILES: C[C@@H]1[C@@H]2CC3=C([C@]1(CCN2CC4=CC=C(C=C4)F)C)C=C(C=C3)O
InChI: InChI=1S/C21H24FNO/c1-14-20-11-16-5-8-18(24)12-19(16)21(14,2)9-10-23(20)13-15-3-6-17(22)7-4-15/h3-8,12,14,20,24H,9-11,13H2,1-2H3/t14-,20+,21+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=CC(=CC=C4)O)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)CCCC(=O)O
InChI: InChI=1S/C38H33NO7/c40-25-14-7-11-23(19-25)34-26-16-17-27-33(37(46)39(36(27)45)18-8-15-32(42)43)29(26)20-30-35(44)28(22-9-3-1-4-10-22)21-31(41)38(30,34)24-12-5-2-6-13-24/h1-7,9-14,16,19,21,27,29-30,33-34,40H,8,15,17-18,20H2,(H,42,43)/t27-,29+,30-,33-,34-,38-/m0/s1
SMILES: CCCCCCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)C=O)OC)C(=O)NCCO)C(=O)CCC
InChI: InChI=1S/C27H39IN2O7/c1-4-6-7-8-11-30(24(33)9-5-2)21-15-19(27(35)29-10-12-31)16-22(25(21)34)37-26-20(28)13-18(17-32)14-23(26)36-3/h13-14,16-17,21-22,25,31,34H,4-12,15H2,1-3H3,(H,29,35)/t21-,22+,25+/m1/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@H](N1CCC2=CNC3=CC=CC=C32)COCCCCCN)O)O)O
InChI: InChI=1S/C21H33N3O4/c22-9-4-1-5-11-28-14-18-20(26)21(27)19(25)13-24(18)10-8-15-12-23-17-7-3-2-6-16(15)17/h2-3,6-7,12,18-21,23,25-27H,1,4-5,8-11,13-14,22H2/t18-,19-,20-,21-/m1/s1
SMILES: CCCCCC(=O)OC[C@@H]1[C@H](CC(O1)N2C=NC3=C(N=CN=C32)N)O
InChI: InChI=1S/C16H23N5O4/c1-2-3-4-5-13(23)24-7-11-10(22)6-12(25-11)21-9-20-14-15(17)18-8-19-16(14)21/h8-12,22H,2-7H2,1H3,(H2,17,18,19)/t10-,11+,12?/m0/s1
SMILES: CC1=C(C=C(C=C1)C2=N[C@@H]3C=C(C=C[C@H]3O2)NC(=O)COC4=CC=C(C=C4)Br)C
InChI: InChI=1S/C23H21BrN2O3/c1-14-3-4-16(11-15(14)2)23-26-20-12-18(7-10-21(20)29-23)25-22(27)13-28-19-8-5-17(24)6-9-19/h3-12,20-21H,13H2,1-2H3,(H,25,27)/t20-,21-/m1/s1
SMILES: COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C23H24O13/c1-32-12-6-11-14(16(28)21(12)36-23-19(31)18(30)15(27)13(7-24)35-23)17(29)22(33-2)20(34-11)8-3-4-9(25)10(26)5-8/h3-6,13,15,18-19,23-28,30-31H,7H2,1-2H3/t13-,15-,18+,19-,23+/m1/s1
SMILES: COC(=O)/C=C/C=C/C1[C@@H]2[C@H](CS1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C25H26N2O3S/c1-30-23(28)15-9-8-14-22-24-21(18-31-22)26(16-19-10-4-2-5-11-19)25(29)27(24)17-20-12-6-3-7-13-20/h2-15,21-22,24H,16-18H2,1H3/b14-8+,15-9+/t21-,22?,24-/m0/s1
SMILES: CCC(=O)N(CC1=C(C=C(C=C1)Cl)Cl)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C27H31Cl2IN2O7/c1-3-24(35)32(13-16-4-5-18(28)12-19(16)29)21-10-17(27(37)31-6-7-33)11-22(25(21)36)39-26-20(30)8-15(14-34)9-23(26)38-2/h4-5,8-9,11-12,21-22,25,33-34,36H,3,6-7,10,13-14H2,1-2H3,(H,31,37)/t21-,22+,25+/m1/s1
SMILES: COC(=O)[C@@]1(C[C@]1(C2=CC=C(C=C2)Cl)C(=C)C3=CC=C(C=C3)Cl)S(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H20Cl2O3S/c1-17(18-8-12-20(26)13-9-18)24(19-10-14-21(27)15-11-19)16-25(24,23(28)30-2)31(29)22-6-4-3-5-7-22/h3-15H,1,16H2,2H3/t24-,25-,31?/m1/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=CC6=CC=CC=C65)O)C(=O)N(C4=O)O)Cl
InChI: InChI=1S/C25H20Cl2N2O6/c1-28-22(33)24(26)10-15-13(7-8-14-17(15)21(32)29(35)20(14)31)19(25(24,27)23(28)34)18-12-5-3-2-4-11(12)6-9-16(18)30/h2-7,9,14-15,17,19,30,35H,8,10H2,1H3/t14-,15+,17-,19+,24+,25-/m0/s1
SMILES: C1[C@@H]([C@H](SC1SCC2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C26H28O2S2/c1-4-10-21(11-5-1)17-27-19-25-24(28-18-22-12-6-2-7-13-22)16-26(30-25)29-20-23-14-8-3-9-15-23/h1-15,24-26H,16-20H2/t24-,25+,26?/m0/s1
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C[C@@]4([C@H]5N3CCC6=CC=CC=C56)C(=O)NC(=O)N(C4=O)CCC7=CC=CC=C7
InChI: InChI=1S/C31H27N5O4/c1-19-8-7-15-35-25(19)32-26-23(27(35)37)18-31(24-22-12-6-5-11-21(22)14-17-34(24)26)28(38)33-30(40)36(29(31)39)16-13-20-9-3-2-4-10-20/h2-12,15,24H,13-14,16-18H2,1H3,(H,33,38,40)/t24-,31+/m0/s1
SMILES: CC(C)[C@@H]1[C@@H]2[C@H](CCN2C(=O)C3=CSC(=N3)COS(=O)(=O)C)N(C1=O)S(=O)(=O)C
InChI: InChI=1S/C16H23N3O7S3/c1-9(2)13-14-11(19(16(13)21)28(3,22)23)5-6-18(14)15(20)10-8-27-12(17-10)7-26-29(4,24)25/h8-9,11,13-14H,5-7H2,1-4H3/t11-,13+,14-/m0/s1
SMILES: C1[C@H]2C[C@H]([C@H]1C=C2)C(=O)CC(C#N)(C#N)C(C#N)C#N
InChI: InChI=1S/C15H12N4O/c16-6-12(7-17)15(8-18,9-19)5-14(20)13-4-10-1-2-11(13)3-10/h1-2,10-13H,3-5H2/t10-,11-,13+/m0/s1
SMILES: CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)NCC4=CC=C(C=C4)OC)O)NC(=O)CCC5=CC=CC=C5O
InChI: InChI=1S/C43H52N4O7/c1-43(2,3)40(46-36(50)23-20-29-14-9-11-17-34(29)48)42(53)45-33(24-27-12-6-5-7-13-27)39(51)38(44-26-28-18-21-31(54-4)22-19-28)41(52)47-37-32-16-10-8-15-30(32)25-35(37)49/h5-19,21-22,33,35,37-40,44,48-49,51H,20,23-26H2,1-4H3,(H,45,53)(H,46,50)(H,47,52)/t33-,35+,37-,38+,39+,40+/m0/s1
SMILES: CC(=O)OC[C@H]([C@H]([C@@H]([C@H]1C(=C(S[C@]1(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N(C)CC4=CC=CC=C4)N=NC5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C43H43N5O11S/c1-27(49)56-26-36(57-28(2)50)39(58-29(3)51)40(59-30(4)52)37-38(46-45-34-19-13-8-14-20-34)41(47(5)25-31-15-9-6-10-16-31)60-43(37,32-17-11-7-12-18-32)42(53)44-33-21-23-35(24-22-33)48(54)55/h6-24,36-37,39-40H,25-26H2,1-5H3,(H,44,53)/t36-,37-,39-,40-,43+/m1/s1
SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC
InChI: InChI=1S/C20H24O9/c1-8-4-10-5-11(27-3)6-12(15(10)17(24)14(8)9(2)22)28-20-19(26)18(25)16(23)13(7-21)29-20/h4-6,13,16,18-21,23-26H,7H2,1-3H3/t13-,16-,18+,19-,20-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)C4=C(C)C
InChI: InChI=1S/C19H19NO2/c1-10(2)15-13-8-9-14(15)17-16(13)18(21)20(19(17)22)12-6-4-11(3)5-7-12/h4-9,13-14,16-17H,1-3H3/t13-,14+,16-,17+
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=C(C=CC=C4Cl)Cl)N5N2CCC5
InChI: InChI=1S/C21H19Cl2N3O3/c1-29-13-8-6-12(7-9-13)17-16-19(25-11-3-10-24(17)25)21(28)26(20(16)27)18-14(22)4-2-5-15(18)23/h2,4-9,16-17,19H,3,10-11H2,1H3/t16-,17-,19+/m1/s1
SMILES: C[C@@]1(C[C@H]2[C@@H](C1)[C@]3(C=C[C@@H]2[C@@H]([C@@H]3O)O)C)C(=O)OC
InChI: InChI=1S/C15H22O4/c1-14(13(18)19-3)6-9-8-4-5-15(2,10(9)7-14)12(17)11(8)16/h4-5,8-12,16-17H,6-7H2,1-3H3/t8-,9+,10+,11-,12-,14-,15+/m0/s1
SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O
InChI: InChI=1S/C17H18FN3O3.C6H12O5/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;7-2-4-6(10)3(8)1-5(9)11-4/h7-10,19H,1-6H2,(H,23,24);3-10H,1-2H2/t;3-,4-,5+,6+/m.1/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)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=CC(=C(C(=C7Br)Br)O)OC)C8=CC=CC=C8)C9=CC(=CC=C9)Cl
InChI: InChI=1S/C49H39Br2ClN2O8/c1-60-32-18-21-38(61-2)27(22-32)15-12-26-13-16-30(17-14-26)53-45(56)34-20-19-33-35(40(34)47(53)58)24-37-46(57)54(31-11-7-10-29(52)23-31)48(59)49(37,28-8-5-4-6-9-28)41(33)36-25-39(62-3)44(55)43(51)42(36)50/h4-19,21-23,25,34-35,37,40-41,55H,20,24H2,1-3H3/t34-,35+,37-,40-,41+,49+/m0/s1
SMILES: CC(=CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])C
InChI: InChI=1S/C15H20N8O2/c1-9(2)3-4-17-14-13-15(19-7-18-14)23(8-20-13)12-5-10(21-22-16)11(6-24)25-12/h3,7-8,10-12,24H,4-6H2,1-2H3,(H,17,18,19)/t10-,11+,12+/m0/s1
SMILES: CC1=CC=C(C=C1)S[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C40H40O4S/c1-30-22-24-35(25-23-30)45-40-37(34-20-12-5-13-21-34)44-36(29-41-26-31-14-6-2-7-15-31)38(42-27-32-16-8-3-9-17-32)39(40)43-28-33-18-10-4-11-19-33/h2-25,36-40H,26-29H2,1H3/t36-,37+,38-,39+,40+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@](C1CCC4([C@H]2C/C=C\5/[C@@H](COC5=O)O)CO4)(COC(O3)(C)C)C
InChI: InChI=1S/C23H34O6/c1-20(2)27-12-22(4)16-7-10-23(13-28-23)17(21(16,3)9-8-18(22)29-20)6-5-14-15(24)11-26-19(14)25/h5,15-18,24H,6-13H2,1-4H3/b14-5-/t15-,16?,17+,18-,21+,22+,23?/m1/s1
SMILES: CCCCOP(=O)(OCCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O
InChI: InChI=1S/C18H31N2O8P/c1-4-6-8-25-29(24,26-9-7-5-2)27-12-15-14(21)10-16(28-15)20-11-13(3)17(22)19-18(20)23/h11,14-16,21H,4-10,12H2,1-3H3,(H,19,22,23)/t14-,15+,16+/m0/s1
SMILES: CCOC1=CC=CC=C1[C@H]2[C@H](N3[C@@H](C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)Cl)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C35H26ClNO4/c1-2-41-28-15-9-8-14-26(28)30-31(32(38)21-10-4-3-5-11-21)37-27-18-17-23(36)20-22(27)16-19-29(37)35(30)33(39)24-12-6-7-13-25(24)34(35)40/h3-20,29-31H,2H2,1H3/t29-,30+,31+/m1/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)CCC7=CC=CC=N7
InChI: InChI=1S/C42H41N3O5/c1-28-38(26-44(2)22-20-35-13-5-6-21-43-35)49-42(50-39(28)31-18-16-29(27-46)17-19-31)34-12-8-11-33(24-34)32-10-7-9-30(23-32)25-45-40(47)36-14-3-4-15-37(36)41(45)48/h3-19,21,23-24,28,38-39,42,46H,20,22,25-27H2,1-2H3/t28-,38+,39+,42+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OCC3=CC=CC=C3
InChI: InChI=1S/C16H18N2O5/c19-9-13-12(22-10-11-4-2-1-3-5-11)8-15(23-13)18-7-6-14(20)17-16(18)21/h1-7,12-13,15,19H,8-10H2,(H,17,20,21)/t12-,13+,15+/m0/s1
SMILES: CCC1=NN(N=N1)[C@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)N5CC[C@H](C5)NC(=O)NC6CCN(CC6)C7=CC=CC=N7)NCC(C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C42H50N14O3/c1-2-34-50-52-56(51-34)33-23-32(37(57)38(33)58)55-26-45-36-39(44-24-31(27-11-5-3-6-12-27)28-13-7-4-8-14-28)48-41(49-40(36)55)54-22-18-30(25-54)47-42(59)46-29-16-20-53(21-17-29)35-15-9-10-19-43-35/h3-15,19,26,29-33,37-38,57-58H,2,16-18,20-25H2,1H3,(H,44,48,49)(H2,46,47,59)/t30-,32-,33+,37+,38-/m1/s1
SMILES: C[C@@H]1C[C@H]([C@@H]2[C@@H]3[C@H]1[C@]2(C[C@@H]([C@H](C3(C)C)O)O)C)O
InChI: InChI=1S/C15H26O3/c1-7-5-8(16)11-12-10(7)15(11,4)6-9(17)13(18)14(12,2)3/h7-13,16-18H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,12+,13-,15-/m1/s1
SMILES: CN1C(=O)[C@H]2CCC3(C[C@H]2C1=O)[C@@H](C(=O)NC(=O)[C@@H]3C#N)C#N
InChI: InChI=1S/C15H14N4O4/c1-19-13(22)7-2-3-15(4-8(7)14(19)23)9(5-16)11(20)18-12(21)10(15)6-17/h7-10H,2-4H2,1H3,(H,18,20,21)/t7-,8+,9-,10+,15?/m0/s1
SMILES: C[C@@H]([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(=O)O
InChI: InChI=1S/C22H34O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h4,13,15-19,23H,5-12H2,1-3H3,(H,24,25)/t13-,15-,16-,17+,18+,19+,21-,22+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)O)O)O
InChI: InChI=1S/C18H36N4O10/c1-4-9(23)12(26)13(27)18(29-4)32-16-6(21)2-5(20)15(14(16)28)31-17-8(22)11(25)10(24)7(3-19)30-17/h4-18,23-28H,2-3,19-22H2,1H3/t4-,5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16-,17+,18-/m0/s1
SMILES: C[C@@H]1CC2=C([C@H](C(=C(N2)C)C(=O)OC(C)C)C3=C(C=C(C=C3)OC)OC)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C25H31NO7/c1-12(2)33-25(29)20-14(4)26-17-10-13(3)19(24(28)32-7)23(27)22(17)21(20)16-9-8-15(30-5)11-18(16)31-6/h8-9,11-13,19,21,26H,10H2,1-7H3/t13-,19+,21+/m1/s1
SMILES: C[C@@H]1[C@@H]2C(C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC=C)C(=O)N(C)C)C(=O)OCC=C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H47N3O7SSi/c1-12-14-38-28(36)24-25(41-20-16-21(26(34)31(8)9)32(17-20)29(37)39-15-13-2)18(3)23-22(27(35)33(23)24)19(4)40-42(10,11)30(5,6)7/h12-13,18-23H,1-2,14-17H2,3-11H3/t18-,19-,20+,21+,22?,23-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](S[C@@H]([C@H]2OCC3=CC=CC=C3)CBr)CBr
InChI: InChI=1S/C20H22Br2O2S/c21-11-17-19(23-13-15-7-3-1-4-8-15)20(18(12-22)25-17)24-14-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19-,20-/m1/s1
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)O
InChI: InChI=1S/C25H27N5O10S/c1-3-28-8-9-29(22(36)21(28)35)25(39)27-16(13-4-6-15(32)7-5-13)19(33)26-17-20(34)30-18(24(37)38)14(10-40-12(2)31)11-41-23(17)30/h4-7,16-17,23,32H,3,8-11H2,1-2H3,(H,26,33)(H,27,39)(H,37,38)/t16?,17-,23-/m1/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)I)C6=COC7=C(C6)C=C(C=C7)O
InChI: InChI=1S/C32H24INO6/c1-15-10-25(36)24-13-23-21(7-8-22-28(23)32(39)34(31(22)38)19-4-2-18(33)3-5-19)27(29(24)30(15)37)17-11-16-12-20(35)6-9-26(16)40-14-17/h2-7,9-10,12,14,22-23,27-28,35H,8,11,13H2,1H3/t22-,23+,27-,28-/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)[C@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CSC7=NC=NN7
InChI: InChI=1S/C44H45N5O6S2/c1-29-14-20-38(21-15-29)57(52,53)49-39(23-31-8-4-3-5-9-31)42(51)45-25-33-10-6-11-35(22-33)36-12-7-13-37(24-36)43-54-40(27-56-44-46-28-47-48-44)30(2)41(55-43)34-18-16-32(26-50)17-19-34/h3-22,24,28,30,39-41,43,49-50H,23,25-27H2,1-2H3,(H,45,51)(H,46,47,48)/t30-,39-,40+,41+,43+/m1/s1
SMILES: C1CC1C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C10H15NO7/c12-4-5(13)7(10(16)17)18-9(6(4)14)11-8(15)3-1-2-3/h3-7,9,12-14H,1-2H2,(H,11,15)(H,16,17)/t4-,5-,6+,7-,9+/m0/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](C(F)F)NC(=O)OC(C)(C)C)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)CC(C)(C)C
InChI: InChI=1S/C44H59F2NO15/c1-21-24(58-37(54)30(51)29(35(45)46)47-38(55)62-40(6,7)8)18-44(56)34(60-36(53)23-15-13-12-14-16-23)32-42(11,25(49)17-26-43(32,20-57-26)61-22(2)48)33(52)31(28(21)41(44,9)10)59-27(50)19-39(3,4)5/h12-16,24-26,29-32,34-35,49,51,56H,17-20H2,1-11H3,(H,47,55)/t24-,25-,26+,29+,30+,31+,32-,34-,42+,43-,44+/m0/s1
SMILES: C1OC2=C(O1)C=C(C=C2)[C@@H]3[C@H](C(=NN3C4=CC=CC=N4)C5=CC=C(C=C5)C#N)O
InChI: InChI=1S/C22H16N4O3/c23-12-14-4-6-15(7-5-14)20-22(27)21(26(25-20)19-3-1-2-10-24-19)16-8-9-17-18(11-16)29-13-28-17/h1-11,21-22,27H,13H2/t21-,22+/m1/s1
SMILES: CC(=O)OC[C@@H]([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H24O12/c1-7(18)24-6-12(25-8(2)19)13-14(26-9(3)20)15(27-10(4)21)16(17(23)29-13)28-11(5)22/h12-17,23H,6H2,1-5H3/t12-,13+,14+,15-,16-,17?/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O
InChI: InChI=1S/C25H43N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(29)33-18-19-22(30)23(31)24(34-19)28-17-16-20(26)27-25(28)32/h16-17,19,22-24,30-31H,2-15,18H2,1H3,(H2,26,27,32)/t19-,22-,23-,24-/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C(OC)OC
InChI: InChI=1S/C28H25NO5/c1-32-17-14-12-16(13-15-17)29-25(30)23-22-18-8-4-6-10-20(18)28(24(23)26(29)31,27(33-2)34-3)21-11-7-5-9-19(21)22/h4-15,22-24,27H,1-3H3/t22?,23-,24-,28?/m0/s1
SMILES: CC(=CC(=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O)C
InChI: InChI=1S/C15H23NO3S/c1-10(2)7-13(17)16-12-8-11-5-6-15(12,14(11,3)4)9-20(16,18)19/h7,11-12H,5-6,8-9H2,1-4H3/t11-,12-,15-/m1/s1
SMILES: CO[C@@H]1C[C@]23[C@H]([C@]4(CCN2C(=O)C=C3C=C1)C(O4)SC5=CC=CC=C5)CC(=O)OC
InChI: InChI=1S/C23H25NO5S/c1-27-16-9-8-15-12-19(25)24-11-10-23(18(13-20(26)28-2)22(15,24)14-16)21(29-23)30-17-6-4-3-5-7-17/h3-9,12,16,18,21H,10-11,13-14H2,1-2H3/t16-,18+,21?,22-,23+/m0/s1
SMILES: CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C20H27N3O5/c1-21(2)18-10-9-15(23(26)27)12-16(18)20(25)28-13-19(24)22-11-5-7-14-6-3-4-8-17(14)22/h9-10,12,14,17H,3-8,11,13H2,1-2H3/t14-,17+/m1/s1
SMILES: CCOC(C[C@@]12/C(=C/C(=O)OC)/[C@@H]([C@@](O1)(C(=C2N3CCC[C@H]3C(C)(C)OC)Br)O[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC)OCC
InChI: InChI=1S/C34H58BrNO9Si/c1-14-42-27(43-15-2)20-33-24(19-26(37)39-11)28(31(38)40-12)34(44-33,45-46(21(3)4,22(5)6)23(7)8)29(35)30(33)36-18-16-17-25(36)32(9,10)41-13/h19,21-23,25,27-28H,14-18,20H2,1-13H3/b24-19+/t25-,28+,33-,34-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O
InChI: InChI=1S/C17H22BrNO4/c1-10-4-3-5-14(11(10)2)19-16(21)9-23-17(22)13-8-12(18)6-7-15(13)20/h6-8,10-11,14,20H,3-5,9H2,1-2H3,(H,19,21)/t10-,11+,14-/m0/s1