EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)C(=O)C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C18H27NO3Si/c1-12(22-23(5,6)18(2,3)4)14-15(19-17(14)21)16(20)13-10-8-7-9-11-13/h7-12,14-15H,1-6H3,(H,19,21)/t12-,14-,15+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3CN4[C@H]([C@@H]3O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)CC7(O4)CC7
InChI: InChI=1S/C40H49NO3Si2/c1-38(2,3)45(31-19-11-7-12-20-31,32-21-13-8-14-22-32)42-36-30-41-35(29-40(44-41)27-28-40)37(36)43-46(39(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,35-37H,27-30H2,1-6H3/t35-,36-,37-/m0/s1
SMILES: C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C
InChI: InChI=1S/C16H19N3O5S.C10H12N4O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);2-3,7-8H,4-5H2,1H3,(H,16,17)/t9-,10-,11+,14-;7-,8+,10+/m11/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)C)C(C)C
InChI: InChI=1S/C21H28N2O3S/c1-13(2)17-10-7-15(4)11-18(17)25-19(24)12-27-21-23-22-20(26-21)16-8-5-14(3)6-9-16/h5-6,8-9,13,15,17-18H,7,10-12H2,1-4H3/t15-,17+,18-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC1=C2C3=C(C[C@@H]4[C@@]56[C@]3(CCN4CC7CC7)[C@@H](O2)[C@@](CC5)([C@H](C6)[C@@](C)(C(C)(C)C)O)OC)C=C1
InChI: InChI=1S/C45H71NO5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37(47)50-34-24-23-33-29-36-43-25-26-45(49-6,35(30-43)42(5,48)41(2,3)4)40-44(43,38(33)39(34)51-40)27-28-46(36)31-32-21-22-32/h23-24,32,35-36,40,48H,7-22,25-31H2,1-6H3/t35-,36-,40-,42+,43-,44+,45-/m1/s1
SMILES: CC1([C@H]2[C@H](C(=O)N(C2=O)CC(=O)N3CCOCC3)SC4=C1SC(=O)N4)C
InChI: InChI=1S/C16H19N3O5S2/c1-16(2)9-10(25-12-11(16)26-15(23)17-12)14(22)19(13(9)21)7-8(20)18-3-5-24-6-4-18/h9-10H,3-7H2,1-2H3,(H,17,23)/t9-,10+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C(F)(F)F)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H29F3O6/c1-20-24(34-17-21-11-5-2-6-12-21)25(35-18-22-13-7-3-8-14-22)26(36-19-23-15-9-4-10-16-23)27(37-20)38-28(33)29(30,31)32/h2-16,20,24-27H,17-19H2,1H3/t20-,24-,25+,26+,27-/m0/s1
SMILES: C[NH+](C)CC1=CC=CC=C1CNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H29N3O3/c1-23(2)14-16-8-4-3-7-15(16)13-22-19(25)11-12-24-20(26)17-9-5-6-10-18(17)21(24)27/h3-4,7-8,17-18H,5-6,9-14H2,1-2H3,(H,22,25)/p+1/t17-,18-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N(CC3=CC=CC=C3F)C4CC4
InChI: InChI=1S/C21H26FN3O3/c1-14-6-4-5-11-21(14)19(27)25(20(28)23-21)13-18(26)24(16-9-10-16)12-15-7-2-3-8-17(15)22/h2-3,7-8,14,16H,4-6,9-13H2,1H3,(H,23,28)/t14-,21+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F
InChI: InChI=1S/C19H27F3N4O/c1-14-4-2-3-5-16(14)24-18(27)13-25-8-10-26(11-9-25)17-7-6-15(12-23-17)19(20,21)22/h6-7,12,14,16H,2-5,8-11,13H2,1H3,(H,24,27)/p+2/t14-,16-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1[C@@H]([C@H](O[C@H]2[C@@H]1SC(=C(O2)C[C@@H](C(=O)OCC3=CC=CC=C3)N)C(=O)OCC[Si](C)(C)C)CO)O
InChI: InChI=1S/C33H55NO9SSi2/c1-20(2)46(21(3)4,22(5)6)43-28-27(36)26(18-35)42-33-30(28)44-29(32(38)39-15-16-45(7,8)9)25(41-33)17-24(34)31(37)40-19-23-13-11-10-12-14-23/h10-14,20-22,24,26-28,30,33,35-36H,15-19,34H2,1-9H3/t24-,26+,27+,28-,30+,33-/m0/s1
SMILES: CCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOC(C)(C)C)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]2(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C48H59FN2O9/c1-6-25-57-48-43(51(46(55)56-7-2)30-32-17-19-35(49)20-18-32)29-41(50-60-47(3,4)5)39-27-34(14-8-10-23-52)38(16-9-11-24-53)44(45(39)48)40-28-37(21-22-42(40)59-48)58-36-15-12-13-33(26-36)31-54/h6,12-13,15,17-22,26-28,31,34,38,43-45,52-53H,1,7-11,14,16,23-25,29-30H2,2-5H3/t34-,38+,43-,44+,45+,48+/m0/s1
SMILES: C[C@@]1([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O)O
InChI: InChI=1S/C10H15N3O5/c1-10(17)7(15)5(4-14)18-8(10)13-3-2-6(11)12-9(13)16/h2-3,5,7-8,14-15,17H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,10+/m1/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C=C3)SC
InChI: InChI=1S/C22H21N5O2S/c1-3-29-21(28)27-9-8-16-17(10-23)20(26)22(12-24,13-25)19(18(16)11-27)14-4-6-15(30-2)7-5-14/h4-8,17-19,26H,3,9,11H2,1-2H3/t17?,18-,19-/m0/s1
SMILES: CCC(C)CCC[C@H](C)CCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
InChI: InChI=1S/C17H35NO4/c1-4-12(2)6-5-7-13(3)8-9-18-10-15(20)17(22)16(21)14(18)11-19/h12-17,19-22H,4-11H2,1-3H3/t12?,13-,14+,15-,16+,17+/m0/s1
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4[C@@H](O2)OC(O4)(C)C)OC(O3)(C)C
InChI: InChI=1S/C20H25NO7/c1-10(22)11-7-6-8-12(9-11)21-17(23)15-13-14(26-19(2,3)25-13)16-18(24-15)28-20(4,5)27-16/h6-9,13-16,18H,1-5H3,(H,21,23)/t13-,14+,15+,16-,18+/m1/s1
SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC(=C3)Cl)Cl)O[C@@H]4CO[C@@H]5[C@H]4OC[C@H]5F
InChI: InChI=1S/C21H18Cl2FN3O4/c1-28-16-5-11-14(6-17(16)31-18-8-30-19-13(24)7-29-20(18)19)25-9-26-21(11)27-15-4-10(22)2-3-12(15)23/h2-6,9,13,18-20H,7-8H2,1H3,(H,25,26,27)/t13-,18-,19+,20+/m1/s1
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=CC(=C5)C=O)OCC=C)CCCCO)CCCCO)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C44H52N2O9/c1-4-23-53-44-40(46(2)43(50)52-29-30-13-6-5-7-14-30)27-38(45-51-3)36-25-32(16-8-10-21-47)35(18-9-11-22-48)41(42(36)44)37-26-34(19-20-39(37)55-44)54-33-17-12-15-31(24-33)28-49/h4-7,12-15,17,19-20,24-26,28,32,35,40-42,47-48H,1,8-11,16,18,21-23,27,29H2,2-3H3/t32-,35+,40-,41+,42+,44+/m0/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)Br)C(=O)[O-]
InChI: InChI=1S/C14H16BrNO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8,11-12H,1-4H2,(H,16,17)(H,18,19)/p-1/t11-,12+/m0/s1
SMILES: CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)NCC3=CC4=CC=CC=C4C=C3)O)O)N5C=CC(=O)NC5=O)O
InChI: InChI=1S/C28H30N4O11/c1-40-21-20(36)26(32-9-8-18(34)31-28(32)39)42-22(21)23(24(29)37)43-27-19(35)16(33)11-17(41-27)25(38)30-12-13-6-7-14-4-2-3-5-15(14)10-13/h2-11,16,19-23,26-27,33,35-36H,12H2,1H3,(H2,29,37)(H,30,38)(H,31,34,39)/t16-,19-,20+,21-,22-,23+,26+,27+/m0/s1
SMILES: CC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)[O-])C34CC4
InChI: InChI=1S/C18H19NO3/c1-10-2-4-11(5-3-10)19-16(20)14-12-6-7-13(15(14)17(21)22)18(12)8-9-18/h2-7,12-15H,8-9H2,1H3,(H,19,20)(H,21,22)/p-1/t12-,13+,14-,15+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)NC(=O)C2=CC=C(O2)[N+](=O)[O-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C19H22N2O13/c1-8(22)29-7-13-16(30-9(2)23)17(31-10(3)24)15(19(34-13)32-11(4)25)20-18(26)12-5-6-14(33-12)21(27)28/h5-6,13,15-17,19H,7H2,1-4H3,(H,20,26)/t13-,15+,16-,17-,19-/m1/s1
SMILES: CCCCCCCCCCCC(=O)O[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)C
InChI: InChI=1S/C22H36N2O6/c1-3-4-5-6-7-8-9-10-11-12-20(26)30-17-13-19(29-18(17)15-25)24-14-16(2)21(27)23-22(24)28/h14,17-19,25H,3-13,15H2,1-2H3,(H,23,27,28)/t17-,18+,19+/m0/s1
SMILES: C=CC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCC4=CC=CC=C4)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C57H62O10/c1-2-21-48-52(61-36-44-26-13-5-14-27-44)55(63-38-46-30-17-7-18-31-46)53(50(65-48)41-60-35-43-24-11-4-12-25-43)67-57-56(64-39-47-32-19-8-20-33-47)54(62-37-45-28-15-6-16-29-45)51(58)49(66-57)40-59-34-42-22-9-3-10-23-42/h2-20,22-33,48-58H,1,21,34-41H2/t48-,49+,50+,51-,52-,53+,54-,55+,56+,57-/m0/s1
SMILES: C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)O)C
InChI: InChI=1S/C27H46O6/c1-14(6-5-7-15(2)25(32)33)17-8-9-18-22-19(13-21(29)27(17,18)4)26(3)11-10-16(28)12-20(26)23(30)24(22)31/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16-,17-,18+,19+,20+,21+,22+,23-,24+,26-,27-/m1/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(C(=O)CF)O)C5=CC=C(C=C5)N(C)C
InChI: InChI=1S/C28H34FNO3/c1-27-15-23(17-4-7-19(8-5-17)30(2)3)26-21-11-9-20(31)14-18(21)6-10-22(26)24(27)12-13-28(27,33)25(32)16-29/h4-5,7-8,14,22-24,33H,6,9-13,15-16H2,1-3H3/t22-,23+,24-,27-,28-/m0/s1
SMILES: CC[C@H](C)C(=O)O[C@@H]1CCC=C2[C@@H]1[C@@H]([C@@H](C=C2)C)CC[C@H]3C[C@H](CC(=O)O3)O
InChI: InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15+,17+,18-,19+,20+,22+/m0/s1
SMILES: CC1(N([C@H]([C@H](O1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(C(=O)C4=CC=CC=C4)OS(=O)(=O)C)C
InChI: InChI=1S/C27H27NO6S/c1-27(2)28(26(30)25(34-35(3,31)32)23(29)20-15-9-5-10-16-20)22(19-13-7-4-8-14-19)24(33-27)21-17-11-6-12-18-21/h4-18,22,24-25H,1-3H3/t22-,24+,25?/m0/s1
SMILES: CC(=O)OC[C@@H]1CO[C@@H]([C@H]1C=C)C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C16H18O5/c1-3-13-12(7-18-10(2)17)8-19-16(13)11-4-5-14-15(6-11)21-9-20-14/h3-6,12-13,16H,1,7-9H2,2H3/t12-,13+,16-/m1/s1
SMILES: C[C@H](CCCC(C)(C)OC(=O)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O[Si](C)(C)C(C)(C)C)OC(=O)C)C)C
InChI: InChI=1S/C37H62O5Si/c1-24(14-13-20-35(7,8)41-26(3)39)30-17-18-31-29-16-15-27-22-28(42-43(11,12)34(4,5)6)23-33(40-25(2)38)37(27,10)32(29)19-21-36(30,31)9/h15-16,24,28,30-33H,13-14,17-23H2,1-12H3/t24-,28-,30-,31+,32+,33+,36-,37+/m1/s1
SMILES: C[C@@H]1[C@H](C(=O)O[C@@]1(C)C/C=C(\C)/CC(=O)CC(C)C)C(=O)C2=C(C=C(C=C2)OC)O
InChI: InChI=1S/C24H32O6/c1-14(2)11-17(25)12-15(3)9-10-24(5)16(4)21(23(28)30-24)22(27)19-8-7-18(29-6)13-20(19)26/h7-9,13-14,16,21,26H,10-12H2,1-6H3/b15-9+/t16-,21+,24+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)/C=C/C2=CC=CC(=C2)C
InChI: InChI=1S/C20H27NO3/c1-14-6-4-8-17(12-14)10-11-20(23)24-13-19(22)21-18-9-5-7-15(2)16(18)3/h4,6,8,10-12,15-16,18H,5,7,9,13H2,1-3H3,(H,21,22)/b11-10+/t15-,16+,18+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@]1(COC(=O)C)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H35NO16/c1-11(27)26-22-20(40-16(6)32)19(39-15(5)31)21(24(34)35-8)42-25(22,10-37-13(3)29)23(41-17(7)33)18(38-14(4)30)9-36-12(2)28/h18-23H,9-10H2,1-8H3,(H,26,27)/t18-,19+,20+,21+,22-,23-,25-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CC[C@H]1C(=O)N[C@H]2CC[C@H]2C(=O)OC
InChI: InChI=1S/C16H26N2O5/c1-16(2,3)23-15(21)18-11-7-5-9(11)13(19)17-12-8-6-10(12)14(20)22-4/h9-12H,5-8H2,1-4H3,(H,17,19)(H,18,21)/t9-,10-,11+,12+/m1/s1
SMILES: CC(C)C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCOC)[C@]3(N1)C4=CC=CC=C4NC3=O
InChI: InChI=1S/C20H25N3O4/c1-11(2)10-14-15-16(18(25)23(17(15)24)8-9-27-3)20(22-14)12-6-4-5-7-13(12)21-19(20)26/h4-7,11,14-16,22H,8-10H2,1-3H3,(H,21,26)/t14-,15-,16+,20-/m1/s1
SMILES: CN1C(=O)[C@@]2(CC=C([C@@H]([C@@]2(C1=O)Cl)C3=CC=C(C=C3)O)C=C)Cl
InChI: InChI=1S/C17H15Cl2NO3/c1-3-10-8-9-16(18)14(22)20(2)15(23)17(16,19)13(10)11-4-6-12(21)7-5-11/h3-8,13,21H,1,9H2,2H3/t13-,16-,17+/m1/s1
SMILES: CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=CC6=NC(=CC(=N2)C1=CO)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)C(=O)O)C
InChI: InChI=1S/C34H32N4O6/c1-6-17-14(3)21-10-22-15(4)19(8-9-27(40)41)31(37-22)29-30(34(43)44)33(42)28-16(5)23(38-32(28)29)11-25-18(7-2)20(13-39)26(36-25)12-24(17)35-21/h6,10-13,15,19,30,37,39H,1,7-9H2,2-5H3,(H,40,41)(H,43,44)/t15-,19-,30+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4[C@]67C=CC(=O)O[C@H]6O7)C)O
InChI: InChI=1S/C24H32O5/c1-21-8-5-14(25)11-13(21)3-4-16-15(21)6-9-22(2)17(12-18-24(16,22)28-18)23-10-7-19(26)27-20(23)29-23/h7,10,13-18,20,25H,3-6,8-9,11-12H2,1-2H3/t13-,14+,15+,16-,17+,18-,20+,21+,22-,23-,24-/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]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)O
InChI: InChI=1S/C32H37Cl3O12/c1-15-18(37)12-31(42)25(46-26(40)17-9-7-6-8-10-17)23-29(5,24(39)22(38)21(15)28(31,3)4)19(45-27(41)44-14-32(33,34)35)11-20-30(23,13-43-20)47-16(2)36/h6-10,18-20,22-23,25,37-38,42H,11-14H2,1-5H3/t18-,19-,20+,22+,23-,25-,29+,30-,31+/m0/s1
SMILES: C1[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)N2C=NC3=C(N=CN=C32)N
InChI: InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5-,7+,8-/m1/s1
SMILES: COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CC[C@H]3CCCC[C@H]3C2)[N+](=O)[O-])OC
InChI: InChI=1S/C20H26N2O7/c1-27-17-9-15(16(22(25)26)10-18(17)28-2)20(24)29-12-19(23)21-8-7-13-5-3-4-6-14(13)11-21/h9-10,13-14H,3-8,11-12H2,1-2H3/t13-,14+/m1/s1
SMILES: CCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2CCCC[C@H]2C(=O)O
InChI: InChI=1S/C19H25NO5/c1-2-3-12-25-19(24)13-8-10-14(11-9-13)20-17(21)15-6-4-5-7-16(15)18(22)23/h8-11,15-16H,2-7,12H2,1H3,(H,20,21)(H,22,23)/t15-,16-/m1/s1
SMILES: C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/C3=CC4=C(C=C3Br)OCO4
InChI: InChI=1S/C17H19BrN2O3/c1-17-5-3-2-4-11(17)15(17)16(21)20-19-8-10-6-13-14(7-12(10)18)23-9-22-13/h6-8,11,15H,2-5,9H2,1H3,(H,20,21)/b19-8+/t11-,15+,17+/m1/s1
SMILES: CC(=O)[C@]1(CC[C@]2([C@H](C1)CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CCC45OCCO5)C)C)O
InChI: InChI=1S/C23H36O4/c1-15(24)22(25)11-10-20(2)16(14-22)4-5-17-18(20)6-8-21(3)19(17)7-9-23(21)26-12-13-27-23/h16-19,25H,4-14H2,1-3H3/t16-,17-,18-,19+,20-,21-,22+/m0/s1
SMILES: CNC(=O)C1=CC=C(C=C1)NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C16H21N3OS/c1-17-15(20)11-4-6-13(7-5-11)18-16(21)19-14-9-10-2-3-12(14)8-10/h4-7,10,12,14H,2-3,8-9H2,1H3,(H,17,20)(H2,18,19,21)/t10-,12+,14-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3
InChI: InChI=1S/C15H15ClN4O3/c1-9-4-11(9)15(22)23-6-14(21)19-12-5-10(16)2-3-13(12)20-8-17-7-18-20/h2-3,5,7-9,11H,4,6H2,1H3,(H,19,21)/t9-,11+/m1/s1
SMILES: CCC[C@@H]1[C@@H](C(=O)[C@H]([C@@H](N1)/C=C/C)CC)CC
InChI: InChI=1S/C15H27NO/c1-5-9-13-11(7-3)15(17)12(8-4)14(16-13)10-6-2/h5,9,11-14,16H,6-8,10H2,1-4H3/b9-5+/t11-,12-,13-,14+/m0/s1
SMILES: C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C21H26N2O3/c24-20(18-10-4-5-11-19(18)21(25)26)23-15-13-22(14-16-23)12-6-9-17-7-2-1-3-8-17/h1-9,18-19H,10-16H2,(H,25,26)/b9-6+/t18-,19+/m1/s1
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4CC5(C[C@@H]4C(=O)NO)OCCO5
InChI: InChI=1S/C26H27N3O6/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-8-6-17(7-9-19)24(30)28-23-14-26(34-10-11-35-26)13-21(23)25(31)29-32/h2-9,12,21,23,32H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)/t21-,23+/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N.C1=CC=C(C(=C1)NC(=NC2=CC=CC=C2I)N)I
InChI: InChI=1S/C18H37N5O9.C13H11I2N3/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h5-18,24-28H,1-4,19-23H2;1-8H,(H3,16,17,18)/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+;/m0./s1
SMILES: C[C@@]1(CCC[C@@]2([C@@H]1C[C@H](C34[C@H]2C[C@@H](C([C@@H]3O)C(=C)C4=O)O)O)C)C=O
InChI: InChI=1S/C20H28O5/c1-10-15-11(22)7-13-19(3)6-4-5-18(2,9-21)12(19)8-14(23)20(13,16(10)24)17(15)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3/t11-,12+,13-,14+,15?,17-,18+,19+,20?/m0/s1
SMILES: CN(C[C@@H]1C[C@@H]1C2=CC=CC=C2)C3=NC(=NC(=N3)NCCC4=CC=C(C=C4)O)Cl
InChI: InChI=1S/C22H24ClN5O/c1-28(14-17-13-19(17)16-5-3-2-4-6-16)22-26-20(23)25-21(27-22)24-12-11-15-7-9-18(29)10-8-15/h2-10,17,19,29H,11-14H2,1H3,(H,24,25,26,27)/t17-,19+/m0/s1
SMILES: C[C@H](CC1=CC=C(C=C1)O)NC2=C3C(=NC(=N2)N=[N+]=[N-])N(C=N3)C4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C19H22N8O5/c1-9(6-10-2-4-11(29)5-3-10)22-16-13-17(24-19(23-16)25-26-20)27(8-21-13)18-15(31)14(30)12(7-28)32-18/h2-5,8-9,12,14-15,18,28-31H,6-7H2,1H3,(H,22,23,24)/t9-,12-,14-,15-,18?/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](S1)OC2=C[N+](=CC=C2)[O-])O)O)O
InChI: InChI=1S/C10H13NO5S/c12-7-5-17-10(9(14)8(7)13)16-6-2-1-3-11(15)4-6/h1-4,7-10,12-14H,5H2/t7-,8+,9-,10-/m1/s1
SMILES: CC1=C(C=C(C=C1)C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)C
InChI: InChI=1S/C24H29NO5/c1-12(2)21(24(29)30-11-18(26)15-6-5-13(3)14(4)9-15)25-22(27)19-16-7-8-17(10-16)20(19)23(25)28/h5-6,9,12,16-17,19-21H,7-8,10-11H2,1-4H3/t16-,17+,19-,20-,21+/m0/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6OC(=O)C)C)O5)C)COC(=O)C
InChI: InChI=1S/C32H42O8/c1-16-13-25(39-29(36)21(16)15-37-18(3)33)17(2)22-7-8-23-20-14-28-32(40-28)27(38-19(4)34)10-9-26(35)31(32,6)24(20)11-12-30(22,23)5/h9-10,17,20,22-25,27-28H,7-8,11-15H2,1-6H3/t17-,20-,22+,23-,24-,25+,27-,28+,30+,31-,32+/m0/s1
SMILES: COC1=CC(=CC(=C1OC(=O)OC)OC)[C@@H]2C3=C([C@H]([C@@H]4N2C(=O)OC4)NC5=CC=C(C=C5)C#N)C6=CC=CC=C6N3
InChI: InChI=1S/C30H26N4O7/c1-37-22-12-17(13-23(38-2)28(22)41-30(36)39-3)27-26-24(19-6-4-5-7-20(19)33-26)25(21-15-40-29(35)34(21)27)32-18-10-8-16(14-31)9-11-18/h4-13,21,25,27,32-33H,15H2,1-3H3/t21-,25+,27-/m1/s1
SMILES: C1=CC=C(C=C1)CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]3[C@@H](O3)C(=O)N[C@@H](CCCCN)C(=O)NC4=CC5=CC=CC=C5C=C4.Cl
InChI: InChI=1S/C37H41N5O5.ClH/c38-21-10-9-17-30(35(44)40-29-19-18-27-15-7-8-16-28(27)24-29)41-36(45)32-33(47-32)37(46)42-31(23-26-13-5-2-6-14-26)34(43)39-22-20-25-11-3-1-4-12-25;/h1-8,11-16,18-19,24,30-33H,9-10,17,20-23,38H2,(H,39,43)(H,40,44)(H,41,45)(H,42,46);1H/t30-,31-,32+,33+;/m0./s1
SMILES: CN(C)CCN1C2=C(C(=CC=C2)F)S[C@@H]([C@@H](C1=O)O)C3=CC=C(C=C3)OC.Cl
InChI: InChI=1S/C20H23FN2O3S.ClH/c1-22(2)11-12-23-16-6-4-5-15(21)19(16)27-18(17(24)20(23)25)13-7-9-14(26-3)10-8-13;/h4-10,17-18,24H,11-12H2,1-3H3;1H/t17-,18+;/m0./s1
SMILES: C[C@H](/C=C/[C@@H](C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C27H42O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6,11,16-18,21-25,29H,7-10,12-15H2,1-5H3/b11-6+/t18-,21+,22-,23+,24+,25+,26+,27-/m1/s1
SMILES: CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C
InChI: InChI=1S/C26H36O7/c1-18(2)14-15-20-26(4,33-20)24-23(31-5)19(16-17-25(24,3)30)32-22(29)13-11-9-7-6-8-10-12-21(27)28/h6-14,19-20,23-24,30H,15-17H2,1-5H3,(H,27,28)/b8-6+,9-7+,12-10+,13-11+/t19-,20-,23-,24+,25-,26+/m1/s1
SMILES: CC(=C/C=C/C1([C@H]2CC[C@]3([C@@H](O3)CCC(=C)[C@@H]2C(=O)O1)C)CO)C
InChI: InChI=1S/C20H28O4/c1-13(2)6-5-10-20(12-21)15-9-11-19(4)16(23-19)8-7-14(3)17(15)18(22)24-20/h5-6,10,15-17,21H,3,7-9,11-12H2,1-2,4H3/b10-5+/t15-,16-,17-,19-,20?/m0/s1
SMILES: C/C=C(\C)/[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5O)C)C(=O)O3)O)C)OC(=O)C(C)C)\C)C
InChI: InChI=1S/C38H54O9/c1-9-22(4)33-25(7)15-16-37(47-33)19-29-18-28(46-37)14-13-24(6)32(45-35(40)21(2)3)23(5)11-10-12-27-20-43-34-31(39)26(8)17-30(36(41)44-29)38(27,34)42/h9-13,17,21,23,25,28-34,39,42H,14-16,18-20H2,1-8H3/b11-10+,22-9+,24-13+,27-12+/t23-,25-,28+,29-,30?,31+,32?,33+,34+,37+,38+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O
InChI: InChI=1S/C12H24N2O5/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-4-2-1-3-6(7)14/h6-12,15-17H,1-5,13-14H2/t6-,7-,8-,9-,10+,11-,12-/m1/s1
SMILES: C[C@@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(CCC[C@@]([C@H]5C[C@@H]6[C@]4([C@@H]2OC(O6)(C)C)C1=O)(C)CO)CO3
InChI: InChI=1S/C23H34O5/c1-12-13-8-14-17-22(11-26-14)7-5-6-21(4,10-24)15(22)9-16-23(17,18(12)25)19(13)28-20(2,3)27-16/h12-17,19,24H,5-11H2,1-4H3/t12-,13+,14+,15-,16-,17+,19-,21+,22+,23-/m1/s1
SMILES: C[C@H](C[C@H]([C@H]1C(O1)(C)C)O)[C@H]2CC[C@]3([C@]2(CC[C@H]4C3=C[C@@H](C5[C@@]4(CCC(=O)C5(C)C)C)OC)C)C
InChI: InChI=1S/C31H50O4/c1-18(16-22(32)26-28(4,5)35-26)19-10-14-31(8)21-17-23(34-9)25-27(2,3)24(33)12-13-29(25,6)20(21)11-15-30(19,31)7/h17-20,22-23,25-26,32H,10-16H2,1-9H3/t18-,19-,20+,22-,23+,25?,26+,29-,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)CNC(=O)C(Cl)(Cl)Cl)CSC5=NC=CN5C
InChI: InChI=1S/C32H32Cl3N3O4S/c1-20-27(19-43-31-36-13-14-38(31)2)41-29(42-28(20)23-11-9-21(18-39)10-12-23)26-8-4-7-25(16-26)24-6-3-5-22(15-24)17-37-30(40)32(33,34)35/h3-16,20,27-29,39H,17-19H2,1-2H3,(H,37,40)/t20-,27+,28+,29+/m1/s1
SMILES: C[C@H]([C@]1([C@@H](C[C@H]2[C@@]1(CC[C@@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O)O)O
InChI: InChI=1S/C23H38O5/c1-13(24)23(27)20(26)12-19-17-6-5-15-11-16(28-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h13,15-20,24,26-27H,5-12H2,1-4H3/t13-,15+,16+,17-,18-,19-,20-,21+,22+,23-/m1/s1
SMILES: C[N+]1([C@@H]2CC[C@H]1CC(C2)O)C/C=C/C3=C(C4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC)/C5=CSC(=N5)N)SC3)C(=O)OCC6=CC=C(C=C6)OC.[I-]
InChI: InChI=1S/C33H39N5O7S2.HI/c1-38(20-8-9-21(38)14-22(39)13-20)12-4-5-19-16-46-30-26(25(19)32(42)45-15-18-6-10-23(43-2)11-7-18)29(40)28(30)36-31(41)27(37-44-3)24-17-47-33(34)35-24;/h4-7,10-11,17,20-22,26,28,30,39H,8-9,12-16H2,1-3H3,(H2-,34,35,36,41);1H/b5-4+,37-27-;/t20-,21+,22?,26?,28-,30+,38?;/m1./s1
SMILES: CC(=O)O[C@@H]1C=CC[C@@H]1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C27H26O3/c1-21(28)30-26-19-11-12-22(26)20-29-27(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-11,13-19,22,26H,12,20H2,1H3/t22-,26-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1[C@@H]2C[C@H]([C@@H]1C(=O)OC)C=C2
InChI: InChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-11-9-6-5-8(7-9)10(11)12(16)18-4/h5-6,8-11H,7H2,1-4H3,(H,15,17)/t8-,9+,10+,11-/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CN4CCNCC4)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H39N5O7SSi/c1-15-12-28(21(30)26(5)19(15)29)20-18(34-37(6,7)22(2,3)4)23(16(24)14-36(31,32)35-23)17(33-20)13-27-10-8-25-9-11-27/h12,14,17-18,20,25H,8-11,13,24H2,1-7H3/t17-,18+,20-,23?/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C17H21N3O6/c1-11-4-2-3-5-14(11)18-17(23)19-15(21)10-26-16(22)12-6-8-13(9-7-12)20(24)25/h6-9,11,14H,2-5,10H2,1H3,(H2,18,19,21,23)/t11-,14-/m0/s1
SMILES: CC(C)(CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2N3C(=NN=N3)OC4=CC=C(C=C4)N5C=NC=N5)CC(=O)[O-]
InChI: InChI=1S/C22H26N8O6/c1-22(2,8-18(32)33)7-17(31)25-15-9-34-20-16(10-35-19(15)20)30-21(26-27-28-30)36-14-5-3-13(4-6-14)29-12-23-11-24-29/h3-6,11-12,15-16,19-20H,7-10H2,1-2H3,(H,25,31)(H,32,33)/p-1/t15-,16-,19+,20+/m0/s1
SMILES: C[C@H](CCC(C)C1=CC(OC1=O)O)[C@H]2CC[C@@]3([C@@]2(CC=C4[C@H]3C[C@@H]([C@@H]5[C@@]4(C[C@@H]([C@H]([C@@H]5O)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C)C
InChI: InChI=1S/C30H46O16S3/c1-15(17-12-23(31)43-27(17)33)6-7-16(2)18-8-10-30(5)20-13-21(44-47(34,35)36)24-25(32)26(46-49(40,41)42)22(45-48(37,38)39)14-28(24,3)19(20)9-11-29(18,30)4/h9,12,15-16,18,20-26,31-32H,6-8,10-11,13-14H2,1-5H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)/t15?,16-,18-,20-,21+,22+,23?,24+,25-,26-,28-,29-,30+/m1/s1
SMILES: CCCC[C@H]1[C@@H]2[C@@H]([C@H](C(=O)O2)C)[C@@H](O1)OC
InChI: InChI=1S/C12H20O4/c1-4-5-6-8-10-9(12(14-3)15-8)7(2)11(13)16-10/h7-10,12H,4-6H2,1-3H3/t7-,8+,9-,10-,12-/m1/s1
SMILES: CCN1CC[C@@]23[C@@]1(C=C([C@@]24[C@H](C(=CC4=O)OC)O)Cl)C(C(C(=O)C3=O)OC)OC
InChI: InChI=1S/C20H24ClNO7/c1-5-22-7-6-18-16(26)13(24)14(28-3)17(29-4)19(18,22)9-11(21)20(18)12(23)8-10(27-2)15(20)25/h8-9,14-15,17,25H,5-7H2,1-4H3/t14?,15-,17?,18+,19+,20+/m0/s1
SMILES: CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3CC[C@@H]4CCCC[C@@H]4C3)N=C(C1=O)C
InChI: InChI=1S/C23H29N3O4/c1-3-26-20-9-8-17(12-19(20)24-15(2)22(26)28)23(29)30-14-21(27)25-11-10-16-6-4-5-7-18(16)13-25/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3/t16-,18+/m0/s1
SMILES: CCSC1([C@]2(C(=C([NH2+][C@H]([C@@]2(C(=[NH+]1)N)C#N)C3=CC=CC=C3)C)C)C#N)SCC
InChI: InChI=1S/C21H25N5S2/c1-5-27-21(28-6-2)20(13-23)14(3)15(4)25-17(16-10-8-7-9-11-16)19(20,12-22)18(24)26-21/h7-11,17,25H,5-6H2,1-4H3,(H2,24,26)/p+2/t17-,19+,20-/m0/s1
SMILES: CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NC(C)(C)C)(C)C)OC(=O)CCCC(=O)NCC(=O)OC[C@@H]4[C@H](C[C@@H](O4)N5C=C(C(=O)NC5=O)C)N=[N+]=[N-]
InChI: InChI=1S/C47H61N9O12S/c1-27-14-12-15-28(2)39(27)66-25-35(58)50-32(20-30-16-10-9-11-17-30)40(44(63)56-26-69-47(7,8)41(56)43(62)52-46(4,5)6)68-37(59)19-13-18-34(57)49-22-38(60)65-24-33-31(53-54-48)21-36(67-33)55-23-29(3)42(61)51-45(55)64/h9-12,14-17,23,31-33,36,40-41H,13,18-22,24-26H2,1-8H3,(H,49,57)(H,50,58)(H,52,62)(H,51,61,64)/t31-,32-,33+,36+,40-,41+/m0/s1
SMILES: CCCCCC[C@@H]1C=C[C@@H](C[C@H]1C(=O)O)CCCCCCCC(=O)OCCCCC
InChI: InChI=1S/C26H46O4/c1-3-5-7-12-16-23-19-18-22(21-24(23)26(28)29)15-11-9-8-10-13-17-25(27)30-20-14-6-4-2/h18-19,22-24H,3-17,20-21H2,1-2H3,(H,28,29)/t22-,23+,24+/m0/s1
SMILES: C1[C@@H]([C@H]1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=CC=C3
InChI: InChI=1S/C16H13BrN2O3/c17-14-8-11(19(21)22)6-7-15(14)18-16(20)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,18,20)/t12-,13+/m1/s1
SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=NC=C4C=CSC4=C3
InChI: InChI=1S/C14H15N3OS/c18-14(17-11-5-9-1-2-10(11)16-9)12-6-13-8(7-15-12)3-4-19-13/h3-4,6-7,9-11,16H,1-2,5H2,(H,17,18)/t9-,10+,11-/m1/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC
InChI: InChI=1S/C21H22N2O5/c1-13-11-16(13)21(26)28-12-19(24)22-15-9-7-14(8-10-15)20(25)23-17-5-3-4-6-18(17)27-2/h3-10,13,16H,11-12H2,1-2H3,(H,22,24)(H,23,25)/t13-,16-/m0/s1