EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@@H]2[C@@H](C2(C#N)C3=CC=C(C=C3)N4C[C@@H](OC4=O)CN5C=CN=N5)CN1
InChI: InChI=1S/C18H18N6O2/c19-11-18(15-7-20-8-16(15)18)12-1-3-13(4-2-12)24-10-14(26-17(24)25)9-23-6-5-21-22-23/h1-6,14-16,20H,7-10H2/t14-,15-,16+,18?/m0/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3
InChI: InChI=1S/C20H22N2O5S/c1-14-11-18(14)20(24)27-13-19(23)21-15-7-6-10-17(12-15)28(25,26)22(2)16-8-4-3-5-9-16/h3-10,12,14,18H,11,13H2,1-2H3,(H,21,23)/t14-,18+/m1/s1
SMILES: CC(=O)OC[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)OCC2=CC=CC=C2)O)O)OC(=O)C
InChI: InChI=1S/C19H26O9/c1-11(20)25-10-14(27-12(2)21)17-15(22)16(23)18(19(24-3)28-17)26-9-13-7-5-4-6-8-13/h4-8,14-19,22-23H,9-10H2,1-3H3/t14-,15-,16-,17+,18-,19-/m0/s1
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C(N=C(N=C65)NC(=O)COC7=CC=CC=C7)CCSC
InChI: InChI=1S/C51H60N7O8PS/c1-35(2)58(36(3)4)67(64-29-14-28-52)66-44-31-47(57-34-53-48-43(27-30-68-7)54-50(56-49(48)57)55-46(59)33-62-42-17-12-9-13-18-42)65-45(44)32-63-51(37-15-10-8-11-16-37,38-19-23-40(60-5)24-20-38)39-21-25-41(61-6)26-22-39/h8-13,15-26,34-36,44-45,47H,14,27,29-33H2,1-7H3,(H,54,55,56,59)/t44-,45+,47+,67?/m0/s1
SMILES: CCN1CCN(CC1)C[C@H](CO[C@@H]2C[C@@H](CC[C@@H]2C(C)C)C)O
InChI: InChI=1S/C19H38N2O2/c1-5-20-8-10-21(11-9-20)13-17(22)14-23-19-12-16(4)6-7-18(19)15(2)3/h15-19,22H,5-14H2,1-4H3/t16-,17-,18-,19-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CN=[N+]=[N-])OCC3=CC=CC=C3)C
InChI: InChI=1S/C15H19N3O4/c1-15(2)21-13-12(19-9-10-6-4-3-5-7-10)11(8-17-18-16)20-14(13)22-15/h3-7,11-14H,8-9H2,1-2H3/t11-,12+,13-,14-/m1/s1
SMILES: C=CCO[C@H]1[C@H]([C@H]([C@@H]([C@H]([C@@H]1O)OCC=C)OCC=C)O)O
InChI: InChI=1S/C15H24O6/c1-4-7-19-13-10(16)11(17)14(20-8-5-2)15(12(13)18)21-9-6-3/h4-6,10-18H,1-3,7-9H2/t10-,11+,12+,13-,14-,15-/m0/s1
SMILES: CCC[C@@H]1[C@@H](C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)NC5=CC=CC(=C5C)C
InChI: InChI=1S/C28H29NO/c1-4-10-23-25-19-12-5-7-14-21(19)26(22-15-8-6-13-20(22)25)27(23)28(30)29-24-16-9-11-17(2)18(24)3/h5-9,11-16,23,25-27H,4,10H2,1-3H3,(H,29,30)/t23-,25?,26?,27-/m0/s1
SMILES: CC(C)(C)OC(=O)N([C@H]1C[C@@H]1C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C
InChI: InChI=1S/C25H36N2O8/c1-24(2,3)34-22(30)27(23(31)35-25(4,5)6)19-14-17(19)13-18(20(28)32-7)26-21(29)33-15-16-11-9-8-10-12-16/h8-12,17-19H,13-15H2,1-7H3,(H,26,29)/t17-,18-,19-/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)C3=CSC=C3)CCCO
InChI: InChI=1S/C25H39NO8S/c1-2-33-25-21(4-3-8-27)22(20-5-17-35-19-20)18-23(34-25)24(28)26-6-9-29-11-13-31-15-16-32-14-12-30-10-7-26/h5,17-19,21-22,25,27H,2-4,6-16H2,1H3/t21-,22-,25-/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=C4CNC(=O)C5=NC6=CC=CC=C6N=C5)CN7CCC8=CC(=C(C=C8C7)OC)OC
InChI: InChI=1S/C46H46N4O6/c1-29-43(27-50-21-20-34-22-41(53-2)42(54-3)23-36(34)26-50)55-46(56-44(29)32-14-12-30(28-51)13-15-32)33-18-16-31(17-19-33)37-9-5-4-8-35(37)24-48-45(52)40-25-47-38-10-6-7-11-39(38)49-40/h4-19,22-23,25,29,43-44,46,51H,20-21,24,26-28H2,1-3H3,(H,48,52)/t29-,43+,44+,46+/m0/s1
SMILES: CCCCCCCCCCNC(=O)C1=COC(=N1)[C@@H]2[C@H]3CC[C@@H]([C@@H]2CC4=CC=CC=C4CCC(=O)OC)O3
InChI: InChI=1S/C31H44N2O5/c1-3-4-5-6-7-8-9-12-19-32-30(35)25-21-37-31(33-25)29-24(26-16-17-27(29)38-26)20-23-14-11-10-13-22(23)15-18-28(34)36-2/h10-11,13-14,21,24,26-27,29H,3-9,12,15-20H2,1-2H3,(H,32,35)/t24-,26-,27+,29-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C=CC(=C6)Cl)O)C(=O)N(C5=O)C7=CC=C(C=C7)C8=NC9=CC=CC=C9O8)C(=O)N(C3=O)NC1=C(C=C(C=C1)Cl)Cl
InChI: InChI=1S/C46H33Cl3N4O7/c1-59-28-14-8-24(9-15-28)46-33(43(56)53(45(46)58)51-35-18-10-26(48)21-34(35)49)22-31-29(40(46)32-20-25(47)11-19-37(32)54)16-17-30-39(31)44(57)52(42(30)55)27-12-6-23(7-13-27)41-50-36-4-2-3-5-38(36)60-41/h2-16,18-21,30-31,33,39-40,51,54H,17,22H2,1H3/t30-,31+,33-,39-,40+,46+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C=C
InChI: InChI=1S/C19H25N3O2/c1-3-14-12-22-9-8-16(14)10-18(22)11-20-19(24)21-17-6-4-15(5-7-17)13(2)23/h3-7,14,16,18H,1,8-12H2,2H3,(H2,20,21,24)/p+1/t14-,16-,18+/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=C5I)OC6(O4)CC7=CC=CC=C7C6
InChI: InChI=1S/C37H44IN3O10/c1-35(2,3)48-28(44)13-12-24(20-42)40-27(43)14-15-39-34(46)37-18-26-29-30(50-36(49-29)16-21-8-4-5-9-22(21)17-36)32(37)51-41(31(37)33(45)47-26)19-23-10-6-7-11-25(23)38/h4-11,24,26,29-32,42H,12-20H2,1-3H3,(H,39,46)(H,40,43)/t24-,26+,29-,30-,31-,32+,37-/m0/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@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O)O)O)O)O)O)O)O)O)O)O)O)O)O
InChI: InChI=1S/C24H42O21/c25-1-5-9(26)14(31)18(35)22(43-5)40-3-7-11(28)16(33)20(37)24(45-7)41-4-8-12(29)15(32)19(36)23(44-8)39-2-6-10(27)13(30)17(34)21(38)42-6/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17-,18-,19-,20-,21+,22+,23+,24+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CCC4=C5CC(CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)(C)C)C
InChI: InChI=1S/C58H104O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-52(59)60-51-39-40-56(7)49(54(51,4)5)38-41-58(9)50(56)37-36-47-48-46-53(2,3)42-43-55(48,6)44-45-57(47,58)8/h49-51H,10-46H2,1-9H3/t49?,50-,51+,55-,56+,57-,58-/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NS(=O)(=O)C3=CNC(=O)NC3=O)C(=O)O)C
InChI: InChI=1S/C12H14N4O7S2/c1-12(2)6(10(19)20)16-8(18)5(9(16)24-12)15-25(22,23)4-3-13-11(21)14-7(4)17/h3,5-6,9,15H,1-2H3,(H,19,20)(H2,13,14,17,21)/t5-,6+,9-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H24N2O3/c1-16-7-5-6-14-23(16)21(27)25(22(28)24-23)15-20(26)19-12-10-18(11-13-19)17-8-3-2-4-9-17/h2-4,8-13,16H,5-7,14-15H2,1H3,(H,24,28)/t16-,23-/m1/s1
SMILES: CCCCCCCCCCCCCCNC(=O)[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N
InChI: InChI=1S/C23H46N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-22(30)17(24)16-31-23-21(29)20(28)19(27)18(15-26)32-23/h17-21,23,26-29H,2-16,24H2,1H3,(H,25,30)/t17-,18+,19-,20-,21+,23+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)C(=O)N[C@H](C)C5=CC=CC=C5)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=C(S7)C)C
InChI: InChI=1S/C47H62N2O4S/c1-30-11-10-23-46(6)40(38-20-16-33(25-37(50)19-14-30)26-39(38)43(51)42-21-15-31(2)54-42)22-24-47(46,53)29-49(28-35-17-18-36-27-41(35)45(36,4)5)44(52)48-32(3)34-12-8-7-9-13-34/h7-9,11-13,15-16,20-21,26,32,35-37,40-41,50,53H,10,14,17-19,22-25,27-29H2,1-6H3,(H,48,52)/t32-,35+,36+,37+,40+,41+,46+,47-/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)CCN3C(=O)[C@H]4[C@@H]5C[C@H]([C@H]4C3=O)C=C5
InChI: InChI=1S/C24H29N3O4/c1-31-24(30)17-4-2-16(3-5-17)15-26-10-8-25(9-11-26)12-13-27-22(28)20-18-6-7-19(14-18)21(20)23(27)29/h2-7,18-21H,8-15H2,1H3/t18-,19+,20-,21+
SMILES: CN1CC[C@]23[C@@H]4[C@@H](C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O)O
InChI: InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-6,11,13,16,20-21H,7-9H2,1-2H3/t11-,13-,16+,17+,18-/m1/s1
SMILES: CCCCOC1=C(C=C2CC[C@H]3[C@@H]4CC[C@]([C@]4(CC[C@@]3(C2=C1)F)C)(C#C)O)O
InChI: InChI=1S/C24H31FO3/c1-4-6-13-28-21-15-19-16(14-20(21)26)7-8-18-17-9-10-23(27,5-2)22(17,3)11-12-24(18,19)25/h2,14-15,17-18,26-27H,4,6-13H2,1,3H3/t17-,18-,22-,23-,24+/m0/s1
SMILES: CC(CO[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CCC2C1)CCC45OCCO5)C)C)O
InChI: InChI=1S/C24H40O4/c1-16(25)15-26-18-6-9-22(2)17(14-18)4-5-19-20(22)7-10-23(3)21(19)8-11-24(23)27-12-13-28-24/h16-21,25H,4-15H2,1-3H3/t16?,17?,18-,19-,20+,21+,22+,23+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)CC6=CC=CC=C6)C(=O)N(C3=O)CC7=CC=CC=C7
InChI: InChI=1S/C36H34N2O7/c1-44-27-15-22(16-28(45-2)32(27)39)29-23-13-14-24-30(35(42)37(33(24)40)18-20-9-5-3-6-10-20)25(23)17-26-31(29)36(43)38(34(26)41)19-21-11-7-4-8-12-21/h3-13,15-16,24-26,29-31,39H,14,17-19H2,1-2H3/t24-,25+,26+,29-,30-,31+/m0/s1
SMILES: CCC=CC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=CC=CC=C45)C(=O)NCCO
InChI: InChI=1S/C28H30N2O7/c1-2-3-8-24(32)30(15-17-9-10-22-23(13-17)36-16-35-22)20-14-19(28(34)29-11-12-31)25-18-6-4-5-7-21(18)37-27(25)26(20)33/h3-10,13-14,20,25-27,31,33H,2,11-12,15-16H2,1H3,(H,29,34)/t20-,25+,26+,27+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3[C@H]4[C@@H](CN3C2(C)C)[C@@H](ON4CC5=CC=CC=C5)C
InChI: InChI=1S/C23H34N2O2/c1-15-10-11-19-20(12-15)26-22-21-18(14-24(22)23(19,3)4)16(2)27-25(21)13-17-8-6-5-7-9-17/h5-9,15-16,18-22H,10-14H2,1-4H3/t15-,16+,18+,19-,20-,21-,22+/m1/s1
SMILES: C1CC1(CCCCl)C(C/C=C/[C@H]2[C@@H](C[C@H]([C@@H]2CCCCCCC(=O)O)Cl)O)O
InChI: InChI=1S/C22H36Cl2O4/c23-14-6-11-22(12-13-22)20(26)9-5-8-17-16(18(24)15-19(17)25)7-3-1-2-4-10-21(27)28/h5,8,16-20,25-26H,1-4,6-7,9-15H2,(H,27,28)/b8-5+/t16-,17-,18-,19-,20?/m1/s1
SMILES: CN1[C@H]2C=C[C@@H](C1=O)[C@@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=C4
InChI: InChI=1S/C16H14N2O3/c1-17-11-8-7-10(14(17)19)12-13(11)16(21)18(15(12)20)9-5-3-2-4-6-9/h2-8,10-13H,1H3/t10-,11+,12-,13-/m1/s1
SMILES: C[C@@H]1[C@H]([C@H](C(=O)O1)N(CC2=CC=C(C=C2)I)C(=O)NC3=CC=C(C=C3)OC)[C@@H](CO)O
InChI: InChI=1S/C22H25IN2O6/c1-13-19(18(27)12-26)20(21(28)31-13)25(11-14-3-5-15(23)6-4-14)22(29)24-16-7-9-17(30-2)10-8-16/h3-10,13,18-20,26-27H,11-12H2,1-2H3,(H,24,29)/t13-,18-,19+,20-/m1/s1
SMILES: CN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)O)O)CCCCO)CCCCO)C(=O)NCCCN6CCCC6=O
InChI: InChI=1S/C38H56N4O9/c1-41(37(47)39-16-9-18-42-17-8-12-33(42)46)32-24-30(40-51-34-13-4-7-21-49-34)28-22-25(10-2-5-19-43)27(11-3-6-20-44)35-29-23-26(45)14-15-31(29)50-38(32,48)36(28)35/h14-15,22-23,25,27,32,34-36,43-45,48H,2-13,16-21,24H2,1H3,(H,39,47)/t25-,27+,32-,34?,35+,36+,38+/m0/s1
SMILES: CN(CC=C)[C@@H]1CC2=CC(=C(C=C2[C@H]1C3=CC=CC=C3)O)F
InChI: InChI=1S/C19H20FNO/c1-3-9-21(2)17-11-14-10-16(20)18(22)12-15(14)19(17)13-7-5-4-6-8-13/h3-8,10,12,17,19,22H,1,9,11H2,2H3/t17-,19-/m1/s1
SMILES: CCOC(=O)[C@@H]1C[C@@H](C(=O)[C@@H]([C@]1(C2=C(OC=C2)[Si](C)(C)C)O)OC(=O)[C@H](C3=CC=CC=C3)OC(=O)C)C
InChI: InChI=1S/C27H34O9Si/c1-7-33-24(30)20-15-16(2)21(29)23(27(20,32)19-13-14-34-26(19)37(4,5)6)36-25(31)22(35-17(3)28)18-11-9-8-10-12-18/h8-14,16,20,22-23,32H,7,15H2,1-6H3/t16-,20-,22-,23-,27+/m0/s1
SMILES: CC(=C)[C@@H]1C[C@@H]2[C@@](O2)([C@@H](C1)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C16H30O2Si/c1-11(2)12-9-13-16(6,17-13)14(10-12)18-19(7,8)15(3,4)5/h12-14H,1,9-10H2,2-8H3/t12-,13-,14-,16-/m1/s1
SMILES: CC(C)CC(=O)[C@H]1[C@H](C[C@H]([C@@H]1C(C)C)C(=O)OC)C(=O)NCC2=CC=CC=C2
InChI: InChI=1S/C23H33NO4/c1-14(2)11-19(25)21-17(12-18(23(27)28-5)20(21)15(3)4)22(26)24-13-16-9-7-6-8-10-16/h6-10,14-15,17-18,20-21H,11-13H2,1-5H3,(H,24,26)/t17-,18+,20-,21+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N(C)CC(=O)NC2=CC=C(C=C2)Cl
InChI: InChI=1S/C19H28ClN3O2/c1-13-6-4-5-7-17(13)22-19(25)14(2)23(3)12-18(24)21-16-10-8-15(20)9-11-16/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,21,24)(H,22,25)/t13-,14-,17+/m1/s1
SMILES: CCOC(=O)[C@]12CC[C@H]([C@@H]3[C@H]1N(CC2)C(=O)C4=CC(=C(C=C34)OC)OC(=O)C(C)(C)C)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C31H35NO8/c1-6-38-29(36)31-13-12-21(39-27(34)18-10-8-7-9-11-18)24-19-16-22(37-5)23(40-28(35)30(2,3)4)17-20(19)26(33)32(15-14-31)25(24)31/h7-11,16-17,21,24-25H,6,12-15H2,1-5H3/t21-,24-,25-,31+/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)CCOCC5=CC(=CC=C5)F)C
InChI: InChI=1S/C24H33FO5/c1-15-7-8-20-16(2)21(10-12-26-14-17-5-4-6-18(25)13-17)27-22-24(20)19(15)9-11-23(3,28-22)29-30-24/h4-6,13,15-16,19-22H,7-12,14H2,1-3H3/t15-,16-,19+,20+,21-,22-,23-,24-/m1/s1
SMILES: CC(=O)NC1=C[N+](=CN1[C@H]2[C@H]3[C@@H]([C@H](O2)COC(=O)C)OC(O3)(C)C)C.[I-]
InChI: InChI=1S/C16H23N3O6.HI/c1-9(20)17-12-6-18(5)8-19(12)15-14-13(24-16(3,4)25-14)11(23-15)7-22-10(2)21;/h6,8,11,13-15H,7H2,1-5H3;1H/t11-,13-,14-,15-;/m1./s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4OCCO)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C42H31ClF7N3O6/c43-24-7-5-21(6-8-24)40-32(37(56)53(39(40)58)51-26-11-9-25(44)10-12-26)20-31-28(35(40)29-3-1-2-4-33(29)59-16-15-54)13-14-30-34(31)38(57)52(36(30)55)27-18-22(41(45,46)47)17-23(19-27)42(48,49)50/h1-13,17-19,30-32,34-35,51,54H,14-16,20H2/t30-,31+,32-,34-,35+,40+/m0/s1
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: C1=CC=C(C=C1)CSC2=NC(=C3C(=N2)N(C=N3)C4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI: InChI=1S/C17H19N5O4S/c18-14-11-15(21-17(20-14)27-7-9-4-2-1-3-5-9)22(8-19-11)16-13(25)12(24)10(6-23)26-16/h1-5,8,10,12-13,16,23-25H,6-7H2,(H2,18,20,21)/t10-,12-,13-,16?/m1/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2C4=NC5=CC=CC=C5N4)CC[C@@H]6[C@@]3(C=CC(=O)N6C)C
InChI: InChI=1S/C26H33N3O/c1-25-14-12-18-16(8-11-22-26(18,2)15-13-23(30)29(22)3)17(25)9-10-19(25)24-27-20-6-4-5-7-21(20)28-24/h4-7,13,15-19,22H,8-12,14H2,1-3H3,(H,27,28)/t16?,17-,18?,19+,22+,25-,26+/m0/s1
SMILES: COC(=O)C1=NN([C@@H]2[C@H]1C(=O)N(C2=O)CC3=CC=CC=C3)N=O
InChI: InChI=1S/C14H12N4O5/c1-23-14(21)10-9-11(18(15-10)16-22)13(20)17(12(9)19)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-,11+/m0/s1
SMILES: CC(=O)[C@@]12[C@H]3[C@H](C(=O)N(C3=O)C)[C@]4(O1)COC[C@H](N4C2=O)C5=CC=CC=C5
InChI: InChI=1S/C19H18N2O6/c1-10(22)19-14-13(15(23)20(2)16(14)24)18(27-19)9-26-8-12(21(18)17(19)25)11-6-4-3-5-7-11/h3-7,12-14H,8-9H2,1-2H3/t12-,13+,14-,18+,19-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)O)O)C)O
InChI: InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22-,23-,24-,25-/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1C[C@H](CC2)NC(=S)NCC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C29H39N3O4S/c1-28(2,3)36-27(33)32-16-15-29(21-11-12-23(34-4)24(17-21)35-5)14-13-22(18-25(29)32)31-26(37)30-19-20-9-7-6-8-10-20/h6-12,17,22,25H,13-16,18-19H2,1-5H3,(H2,30,31,37)/t22-,25-,29-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)OC)N5C=NC6=C(N=CN=C65)NC(=O)OCC=C
InChI: InChI=1S/C40H47N5O6Si/c1-8-23-48-38(46)44-36-35-37(42-26-41-36)45(27-43-35)34-24-32(51-52(6,7)39(2,3)4)33(50-34)25-49-40(28-15-11-9-12-16-28,29-17-13-10-14-18-29)30-19-21-31(47-5)22-20-30/h8-22,26-27,32-34H,1,23-25H2,2-7H3,(H,41,42,44,46)/t32-,33+,34+/m0/s1
SMILES: C[C@H]1[C@@H](C[C@]2([C@H]([C@@H]([C@@H]3C[C@@]3(O2)CO)O[Si](C)(C)C(C)(C)C)C)O[C@@H]1C(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H56O5Si2/c1-18(2)23-19(3)22(31-34(11,12)25(5,6)7)16-28(30-23)20(4)24(21-15-27(21,17-29)33-28)32-35(13,14)26(8,9)10/h18-24,29H,15-17H2,1-14H3/t19-,20-,21-,22+,23+,24-,27+,28-/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@](O1)(COC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-5-7(15)10(18)12(20,22-5)4-21-2-6-8(16)9(17)11(19,3-14)23-6/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1
SMILES: C[C@@H]1[C@H](C[C@@H]2C/C=C/C=C/C(=O)O[C@@H]3C[C@@H](/C=C/C/C=C/C(=C[C@H]1O2)C)O[C@H]([C@]3(C)CO[Si](C)(C)C(C)(C)C)CCOC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C46H78O8Si2/c1-33-23-19-17-20-25-36-31-40(46(12,32-50-55(13,14)44(6,7)8)39(52-36)27-28-49-42(48)43(3,4)5)53-41(47)26-22-18-21-24-35-30-38(34(2)37(29-33)51-35)54-56(15,16)45(9,10)11/h18-23,25-26,29,34-40H,17,24,27-28,30-32H2,1-16H3/b21-18+,23-19+,25-20+,26-22+,33-29?/t34-,35-,36+,37+,38-,39-,40+,46-/m0/s1
SMILES: C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]3([C@@H](C(=O)O[C@@H]3C)C)O
InChI: InChI=1S/C20H27NO7/c1-5-11(2)17(22)28-15-7-9-21-8-6-14(16(15)21)10-26-19(24)20(25)12(3)18(23)27-13(20)4/h5-6,12-13,15-16,25H,7-10H2,1-4H3/b11-5+/t12-,13-,15-,16-,20+/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)C=CC6=C(C=CC(=C6)OC)OC)C7=COC8=C(C7)C=C(C=C8)O
InChI: InChI=1S/C42H35NO8/c1-22-16-34(45)33-20-32-30(37(39(33)40(22)46)26-17-25-18-28(44)10-14-36(25)51-21-26)12-13-31-38(32)42(48)43(41(31)47)27-8-5-23(6-9-27)4-7-24-19-29(49-2)11-15-35(24)50-3/h4-12,14-16,18-19,21,31-32,37-38,44H,13,17,20H2,1-3H3/t31-,32+,37-,38-/m0/s1
SMILES: C1[C@@H](O[C@@H]([C@H]1O)N2C=C(C3=C(N=CN=C32)N)C(=O)N)CO
InChI: InChI=1S/C12H15N5O4/c13-9-8-6(10(14)20)2-17(11(8)16-4-15-9)12-7(19)1-5(3-18)21-12/h2,4-5,7,12,18-19H,1,3H2,(H2,14,20)(H2,13,15,16)/t5-,7+,12+/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]2[C@@H](C(=O)N(C2=O)C3=CC=C(C=C3)Cl)C([NH2+]1)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI: InChI=1S/C26H19ClF2N2O4/c1-35-25(34)22-20-21(24(33)31(23(20)32)19-12-6-16(27)7-13-19)26(30-22,14-2-8-17(28)9-3-14)15-4-10-18(29)11-5-15/h2-13,20-22,30H,1H3/p+1/t20-,21+,22+/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4
InChI: InChI=1S/C21H26N4O4/c1-13-5-2-3-10-21(13)19(28)25(20(29)24-21)12-17(26)22-16-7-4-6-14(11-16)18(27)23-15-8-9-15/h4,6-7,11,13,15H,2-3,5,8-10,12H2,1H3,(H,22,26)(H,23,27)(H,24,29)/t13-,21+/m0/s1
SMILES: CC1=C[C@@H]([C@@H](C1=O)C2=C(OC(OC2=O)(C)C)O)N3CCN(CC3)C4=CC=CC=C4
InChI: InChI=1S/C22H26N2O5/c1-14-13-16(24-11-9-23(10-12-24)15-7-5-4-6-8-15)17(19(14)25)18-20(26)28-22(2,3)29-21(18)27/h4-8,13,16-17,26H,9-12H2,1-3H3/t16-,17+/m0/s1
SMILES: CO[C@]1([C@@H](C[C@@H]2[C@@H](O1)CCCCO2)O)C[C@H]3[C@@H](CCCCO3)OCC4=CC=CC=C4
InChI: InChI=1S/C24H36O6/c1-26-24(23(25)15-21-20(30-24)12-6-8-13-27-21)16-22-19(11-5-7-14-28-22)29-17-18-9-3-2-4-10-18/h2-4,9-10,19-23,25H,5-8,11-17H2,1H3/t19-,20+,21-,22+,23-,24-/m1/s1
SMILES: CCOC(=O)[C@@H]1CC2=CC(=C(C=C2[C@]34N1C(=O)[C@@H]([C@]3(CC5(CC4)OCCO5)C(=O)OCC)O)OC)OC
InChI: InChI=1S/C26H33NO10/c1-5-34-22(30)17-11-15-12-18(32-3)19(33-4)13-16(15)26-8-7-24(36-9-10-37-24)14-25(26,23(31)35-6-2)20(28)21(29)27(17)26/h12-13,17,20,28H,5-11,14H2,1-4H3/t17-,20-,25+,26-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C[C@@H]4[C@H](C3=O)O4
InChI: InChI=1S/C11H12O2/c12-10-9-6-2-1-5(3-6)7(9)4-8-11(10)13-8/h1-2,5-9,11H,3-4H2/t5-,6+,7-,8+,9+,11+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN[C@@H](C)C2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C17H24Cl2N2O/c1-11-5-3-4-6-16(11)21-17(22)10-20-12(2)14-8-7-13(18)9-15(14)19/h7-9,11-12,16,20H,3-6,10H2,1-2H3,(H,21,22)/t11-,12+,16-/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCCN5CC5)CCCCO)CCCCO)OCC=C)N(C)S(=O)(=O)C6=CC=CC7=C6N=CC=C7
InChI: InChI=1S/C45H60N4O8S/c1-6-26-55-45-40(48(5)58(52,53)39-17-11-14-31-15-12-20-46-43(31)39)30-37(47-57-44(2,3)4)35-28-32(13-7-9-24-50)34(16-8-10-25-51)41(42(35)45)36-29-33(18-19-38(36)56-45)54-27-23-49-21-22-49/h6,11-12,14-15,17-20,28-29,32,34,40-42,50-51H,1,7-10,13,16,21-27,30H2,2-5H3/t32-,34+,40-,41+,42+,45+/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)CC4=CC=C(C=C4)CSC(=N)N)SC5=CC=CC=C5CSC(=N)N
InChI: InChI=1S/C33H34N6O5S4/c1-43-23-12-10-20(11-13-23)15-44-31(42)28-25(48-24-5-3-2-4-22(24)17-47-33(36)37)18-45-30-27(29(41)39(28)30)38-26(40)14-19-6-8-21(9-7-19)16-46-32(34)35/h2-13,27,30H,14-18H2,1H3,(H3,34,35)(H3,36,37)(H,38,40)/t27-,30-/m1/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(C)C(=O)OC7=CC=C(C=C7)[N+](=O)[O-])OCC=C
InChI: InChI=1S/C49H55N5O12/c1-4-26-63-49-45(52(3)48(57)65-38-20-18-37(19-21-38)54(60)61)29-43(51-64-30-33-14-16-36(17-15-33)53(58)59)41-27-34(11-5-7-24-55)40(13-6-8-25-56)46(47(41)49)42-28-39(22-23-44(42)66-49)62-31-35-12-9-10-32(2)50-35/h4,9-10,12,14-23,27-28,34,40,45-47,55-56H,1,5-8,11,13,24-26,29-31H2,2-3H3/t34-,40+,45-,46+,47+,49+/m0/s1
SMILES: CCCCCCOC1=CC=C(C=C1)[C@H]2[C@H](C(=C)NC(=S)N2)C(=O)OCCOC
InChI: InChI=1S/C21H30N2O4S/c1-4-5-6-7-12-26-17-10-8-16(9-11-17)19-18(15(2)22-21(28)23-19)20(24)27-14-13-25-3/h8-11,18-19H,2,4-7,12-14H2,1,3H3,(H2,22,23,28)/t18-,19-/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=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=C(C=CC(=C7)Br)O)C8=CC=C(C=C8)Cl)NC9=C(C=C(C=N9)C(F)(F)F)Cl
InChI: InChI=1S/C46H35BrCl2F3N7O5/c1-57(2)29-12-8-27(9-13-29)54-55-28-10-14-30(15-11-28)58-41(61)32-17-16-31-33(38(32)43(58)63)21-35-42(62)59(56-40-36(49)19-24(22-53-40)46(50,51)52)44(64)45(35,23-3-6-26(48)7-4-23)39(31)34-20-25(47)5-18-37(34)60/h3-16,18-20,22,32-33,35,38-39,60H,17,21H2,1-2H3,(H,53,56)/t32-,33+,35-,38-,39+,45+/m0/s1
SMILES: CC(=O)OC[C@H]([C@@H]([C@@H]([C@H]([C@H]1C[C@@H]([C@@H]([C@H]([C@@H]1[N+](=O)[O-])OC(=O)C)O)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H33NO16/c1-9(25)35-8-17(36-10(2)26)21(38-12(4)28)23(40-14(6)30)20(37-11(3)27)15-7-16(31)19(32)22(39-13(5)29)18(15)24(33)34/h15-23,31-32H,7-8H2,1-6H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+/m0/s1
SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=C(N4C(=C2)C(=O)OCC)C=CC(=C5)S(=O)(=O)NCCC6=CC(=C(C=C6)OC)OC
InChI: InChI=1S/C32H39N3O6S/c1-5-32-14-7-16-34-17-13-23-24-19-22(42(37,38)33-15-12-21-8-11-27(39-3)28(18-21)40-4)9-10-25(24)35(29(23)30(32)34)26(20-32)31(36)41-6-2/h8-11,18-20,30,33H,5-7,12-17H2,1-4H3/t30-,32+/m1/s1
SMILES: C[C@@]1([C@@H](CC[C@H]2[C@H](O1)C[C@H]3[C@H](O2)C[C@@H](C(=C)O3)OCC4=CC=C(C=C4)OC)OCC5=CC=CC=C5)CCCOCC6=CC=CC=C6
InChI: InChI=1S/C39H48O7/c1-28-34(42-26-31-15-17-32(40-3)18-16-31)23-36-35(44-28)24-37-33(45-36)19-20-38(43-27-30-13-8-5-9-14-30)39(2,46-37)21-10-22-41-25-29-11-6-4-7-12-29/h4-9,11-18,33-38H,1,10,19-27H2,2-3H3/t33-,34-,35-,36+,37+,38+,39-/m0/s1
SMILES: CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1OC2=CC=CC(=C2)[N+](=O)[O-])CO)O)O
InChI: InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-3-8(5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/m0/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CCC3C2CC[C@]4(C3CCC[N+]4(C)C)C)[N+]5(CCCC5)C.[Br-].[Br-]
InChI: InChI=1S/C26H48N2.2BrH/c1-25-14-12-21(28(5)17-6-7-18-28)19-20(25)10-11-22-23(25)13-15-26(2)24(22)9-8-16-27(26,3)4;;/h20-24H,6-19H2,1-5H3;2*1H/q+2;;/p-2/t20-,21+,22?,23?,24?,25-,26-;;/m0../s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)COC(=O)C4=CC=C(C=C4)C5=C6C=CC(=N6)C(=C7C=CC(=C(C8=CC=C(N8)C(=C9C=CC5=N9)C1=CC=CC=C1)C1=CC=CC=C1)N7)C1=CC=CC=C1)C
InChI: InChI=1S/C57H48N4O7/c1-56(2)65-51-46(64-55-53(52(51)66-56)67-57(3,4)68-55)32-63-54(62)37-22-20-36(21-23-37)50-44-30-28-42(60-44)48(34-16-10-6-11-17-34)40-26-24-38(58-40)47(33-14-8-5-9-15-33)39-25-27-41(59-39)49(35-18-12-7-13-19-35)43-29-31-45(50)61-43/h5-31,46,51-53,55,58-59H,32H2,1-4H3/t46-,51+,52+,53-,55-/m1/s1
SMILES: CCC1C(/C=C(/C=C/C(=O)C(CC(C(C(C(=O)CC(=O)O1)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)OC(=O)C)N(C)C)OC(=O)C)CC(OC)OC)C)\C)CO[C@H]3[C@H]([C@@H]([C@@H]([C@H](O3)C)OC(=O)C)OC)OC
InChI: InChI=1S/C47H75NO18/c1-16-36-33(23-59-46-45(58-15)44(57-14)42(28(6)60-46)63-30(8)50)19-24(2)17-18-34(52)25(3)20-32(21-38(55-12)56-13)40(26(4)35(53)22-37(54)65-36)66-47-43(64-31(9)51)39(48(10)11)41(27(5)61-47)62-29(7)49/h17-19,25-28,32-33,36,38-47H,16,20-23H2,1-15H3/b18-17+,24-19+/t25?,26?,27-,28-,32?,33?,36?,39+,40?,41-,42-,43-,44-,45+,46-,47+/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35C[C@@H]([C@@H]4C6=CC(=O)OC6)OC(O5)C7=CC=C(C=C7)OC)C)OC(=O)CCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI: InChI=1S/C42H58N4O10/c1-40-17-15-28(54-34(48)8-4-7-33(47)46-31(37(50)51)6-5-19-45-39(43)44)21-26(40)11-14-30-29(40)16-18-41(2)36(25-20-35(49)53-23-25)32-22-42(30,41)56-38(55-32)24-9-12-27(52-3)13-10-24/h9-10,12-13,20,26,28-32,36,38H,4-8,11,14-19,21-23H2,1-3H3,(H,46,47)(H,50,51)(H4,43,44,45)/t26-,28+,29+,30-,31+,32+,36+,38?,40+,41-,42+/m1/s1
SMILES: CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)NC(=S)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H31BrN4O10S/c1-14-32-23-11-6-19(31)12-22(23)29(40)35(14)21-9-7-20(8-10-21)33-30(46)34-28-27(44-18(5)39)26(43-17(4)38)25(42-16(3)37)24(45-28)13-41-15(2)36/h6-12,24-28H,13H2,1-5H3,(H2,33,34,46)/t24-,25-,26+,27-,28-/m1/s1
SMILES: C[C@@H]1CC=C2[C@H]([C@@]1(CCOC3CCCCO3)CO[Si](C)(C)C(C)(C)C)CCC[C@@]2(C)C(CCC(=C)C)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C38H62O5SSi/c1-29(2)20-23-34(44(39,40)31-16-11-10-12-17-31)37(7)24-15-18-33-32(37)22-21-30(3)38(33,28-43-45(8,9)36(4,5)6)25-27-42-35-19-13-14-26-41-35/h10-12,16-17,22,30,33-35H,1,13-15,18-21,23-28H2,2-9H3/t30-,33-,34?,35?,37-,38+/m1/s1
SMILES: C1CC(=O)N(C1)CCCNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-]
InChI: InChI=1S/C16H24N2O4/c19-12-3-1-7-18(12)8-2-6-17-15(20)13-10-4-5-11(9-10)14(13)16(21)22/h10-11,13-14H,1-9H2,(H,17,20)(H,21,22)/p-1/t10-,11+,13+,14+/m1/s1