EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](CC(=C)C2=CC=CC=C2)O)C(C)C
InChI: InChI=1S/C21H30O3/c1-14(2)18-11-10-15(3)12-20(18)24-21(23)19(22)13-16(4)17-8-6-5-7-9-17/h5-9,14-15,18-20,22H,4,10-13H2,1-3H3/t15-,18+,19-,20-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)COC(=O)C3=CC=CC=C3)/[N+](=C/C4=CC=C(C=C4)[N+](=O)[O-])/[O-])C
InChI: InChI=1S/C22H22N2O8/c1-22(2)31-19-18(23(26)12-14-8-10-16(11-9-14)24(27)28)17(30-21(19)32-22)13-29-20(25)15-6-4-3-5-7-15/h3-12,17-19,21H,13H2,1-2H3/b23-12-/t17-,18-,19-,21-/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)Cl)F
InChI: InChI=1S/C17H19ClFN3O3/c1-10-4-2-3-7-17(10)15(24)22(16(25)21-17)9-14(23)20-13-6-5-11(18)8-12(13)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,20,23)(H,21,25)/t10-,17-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1C[N+](=C[C@@H]1O[Si](C)(C)C(C)(C)C)[O-]
InChI: InChI=1S/C15H30N2O4Si/c1-14(2,3)20-13(18)16-11-9-17(19)10-12(11)21-22(7,8)15(4,5)6/h10-12H,9H2,1-8H3,(H,16,18)/t11-,12+/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC=CC=C8O)C(=O)N(C7=O)C)C
InChI: InChI=1S/C35H31ClN4O5S/c1-16-21-13-17(36)9-12-26(21)46-30(16)24-15-27(39(4)37-24)40-32(43)23-14-22-18(10-11-20-28(22)33(44)38(3)31(20)42)29(35(23,2)34(40)45)19-7-5-6-8-25(19)41/h5-10,12-13,15,20,22-23,28-29,41H,11,14H2,1-4H3/t20-,22+,23-,28-,29+,35+/m0/s1
SMILES: CC(=O)O[C@H]1C[C@@H](C(=C)[C@@H]2[C@@]1([C@H]([C@@H](C3[C@@]4(CO[C@]3(C(=O)C[C@H]4[C@H]2OC(=O)C)C)C)OC(=O)C)OC(=O)C)COC(=O)C5=CC=CC=C5)OC(=O)C[C@H](C6=CC=CC=C6)N(C)C
InChI: InChI=1S/C46H55NO14/c1-25-34(61-37(53)21-33(47(8)9)30-16-12-10-13-17-30)22-36(57-26(2)48)46(24-55-43(54)31-18-14-11-15-19-31)38(25)39(58-27(3)49)32-20-35(52)45(7)41(44(32,6)23-56-45)40(59-28(4)50)42(46)60-29(5)51/h10-19,32-34,36,38-42H,1,20-24H2,2-9H3/t32-,33+,34-,36-,38-,39+,40+,41?,42-,44+,45-,46+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)OC3=NO[N+](=C3S(=O)(=O)C4=CC=CC=C4)[O-]
InChI: InChI=1S/C18H15F3N4O9S/c19-18(20,21)10-7-24(17(28)22-14(10)27)13-6-11(12(8-26)32-13)33-15-16(25(29)34-23-15)35(30,31)9-4-2-1-3-5-9/h1-5,7,11-13,26H,6,8H2,(H,22,27,28)/t11-,12+,13+/m0/s1
SMILES: C[C@H]1[C@@H](CCN2[C@@H]1C3=CC(=C(C=C3CC2)OC)OC)C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC.Cl.Cl
InChI: InChI=1S/C28H38N2O4.2ClH/c1-17-18(12-23-21-15-26(33-4)24(31-2)13-19(21)6-9-29-23)7-10-30-11-8-20-14-25(32-3)27(34-5)16-22(20)28(17)30;;/h13-18,23,28-29H,6-12H2,1-5H3;2*1H/t17-,18-,23+,28-;;/m0../s1
SMILES: CC(C)(C)OC(=O)N1C(=O)C2(C[C@@H]([C@H](C2)C(=O)OC)C(=O)OC)N(C1=O)C(=O)OC(C)(C)C
InChI: InChI=1S/C21H30N2O10/c1-19(2,3)32-17(28)22-15(26)21(23(16(22)27)18(29)33-20(4,5)6)9-11(13(24)30-7)12(10-21)14(25)31-8/h11-12H,9-10H2,1-8H3/t11-,12-/m0/s1
SMILES: CC1=C(N=C(S1)NC(=O)[C@H]2CC[C@H]2C(=O)[O-])CC(=O)OC
InChI: InChI=1S/C13H16N2O5S/c1-6-9(5-10(16)20-2)14-13(21-6)15-11(17)7-3-4-8(7)12(18)19/h7-8H,3-5H2,1-2H3,(H,18,19)(H,14,15,17)/p-1/t7-,8+/m0/s1
SMILES: CC(C)(C)OC(=O)N/C(=C/1\[C@H]([C@@H]([C@@H](N1)COS(=O)(=O)C)O)O)/C(=O)OC
InChI: InChI=1S/C14H24N2O9S/c1-14(2,3)25-13(20)16-9(12(19)23-4)8-11(18)10(17)7(15-8)6-24-26(5,21)22/h7,10-11,15,17-18H,6H2,1-5H3,(H,16,20)/b9-8+/t7-,10+,11+/m0/s1
SMILES: CC(C)C[C@@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=C(C(=CC=C3)OC)O)C(=O)N(C2=O)C(C)C)C(=O)[O-]
InChI: InChI=1S/C21H28N2O6/c1-10(2)9-21(20(27)28)15-14(18(25)23(11(3)4)19(15)26)16(22-21)12-7-6-8-13(29-5)17(12)24/h6-8,10-11,14-16,22,24H,9H2,1-5H3,(H,27,28)/t14-,15+,16-,21+/m0/s1
SMILES: CCCCN1[C@@H]([C@@H](CCC1=O)C(=O)NCC2=CC(=CC=C2)Cl)C3=CC=CC=C3OC
InChI: InChI=1S/C24H29ClN2O3/c1-3-4-14-27-22(28)13-12-20(23(27)19-10-5-6-11-21(19)30-2)24(29)26-16-17-8-7-9-18(25)15-17/h5-11,15,20,23H,3-4,12-14,16H2,1-2H3,(H,26,29)/t20-,23-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H](C[C@H](O1)C2=CC=CC=C2)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H20O5/c1-10-16(21-12(3)18)15(20-11(2)17)9-14(19-10)13-7-5-4-6-8-13/h4-8,10,14-16H,9H2,1-3H3/t10-,14-,15-,16-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4[C@@]5([C@@]3(CC[C@@H](C5)OC6CCCCO6)C)O4)C
InChI: InChI=1S/C32H54O3/c1-21(2)9-8-10-22(3)25-12-13-26-24-19-28-32(35-28)20-23(34-29-11-6-7-18-33-29)14-17-31(32,5)27(24)15-16-30(25,26)4/h21-29H,6-20H2,1-5H3/t22-,23+,24+,25-,26+,27+,28+,29?,30-,31-,32+/m1/s1
SMILES: CC1=C([C@H]([C@H](O1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)C
InChI: InChI=1S/C20H17ClO3/c1-12(22)17-13(2)24-20(19(23)15-6-4-3-5-7-15)18(17)14-8-10-16(21)11-9-14/h3-11,18,20H,1-2H3/t18-,20+/m1/s1
SMILES: COC(=O)[C@H]1[C@@H]([C@H](N[C@H]1C2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3
InChI: InChI=1S/C20H21NO4/c1-24-19(22)16-15(13-9-5-3-6-10-13)18(20(23)25-2)21-17(16)14-11-7-4-8-12-14/h3-12,15-18,21H,1-2H3/t15-,16-,17-,18-/m0/s1
SMILES: CCOC(=O)[C@]12CC3(CC[C@]14C5=CC(=C(C=C5C[C@H](N4C(=O)[C@@H]2O)C(=O)OC(=O)OCC(C)C)OC)OC)OCCO3
InChI: InChI=1S/C29H37NO12/c1-6-38-25(34)28-15-27(40-9-10-41-27)7-8-29(28)18-13-21(37-5)20(36-4)12-17(18)11-19(30(29)23(32)22(28)31)24(33)42-26(35)39-14-16(2)3/h12-13,16,19,22,31H,6-11,14-15H2,1-5H3/t19-,22-,28+,29-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@H](C1)[C@@H]3C=CC(=O)[C@@H]3C[C@@H]2OCOC
InChI: InChI=1S/C20H34O4Si/c1-20(2,3)25(5,6)24-13-9-15-14-7-8-18(21)16(14)11-19(17(15)10-13)23-12-22-4/h7-8,13-17,19H,9-12H2,1-6H3/t13-,14-,15+,16+,17-,19-/m0/s1
SMILES: C[C@@]12CCC(=O)C[C@H]1CC[C@H]3[C@@H]2CC[C@@]4([C@@H]3CCC4=O)C
InChI: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16+,18-,19-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4O)C5=CC6=C(CC[C@@H]7[C@@H]6CC[C@]8([C@H]7CC[C@@H]8O)C)C(=C5O)C9=C(C=C1[C@H]2CC[C@]3([C@H]([C@@H]2CCC1=C9)CC[C@@H]3O)C)O
InChI: InChI=1S/C54H68O6/c1-52-21-18-29-28-6-10-37(50(59)36(28)11-8-33(29)43(52)13-16-46(52)56)40-25-39-31-20-23-54(3)44(14-17-48(54)58)34(31)7-9-35(39)49(51(40)60)41-24-27-4-5-32-30(38(27)26-45(41)55)19-22-53(2)42(32)12-15-47(53)57/h6,10,24-26,29-34,42-44,46-48,55-60H,4-5,7-9,11-23H2,1-3H3/t29-,30+,31+,32-,33-,34-,42+,43+,44+,46+,47+,48+,52+,53+,54+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=CC=C3C(=O)O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H16ClNO2/c20-12-9-7-11(8-10-12)17-14-4-1-3-13(14)15-5-2-6-16(19(22)23)18(15)21-17/h1-3,5-10,13-14,17,21H,4H2,(H,22,23)/t13-,14-,17-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)NCC1=CC=C(C=C1)C2O[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CSC5=CC=C(C=C5)NC(=O)C
InChI: InChI=1S/C49H64N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-46(54)50-34-38-22-28-42(29-23-38)49-55-45(36-57-44-32-30-43(31-33-44)51-37(2)53)47(40-19-16-15-17-20-40)48(56-49)41-26-24-39(35-52)25-27-41/h15-17,19-20,22-33,45,47-49,52H,3-14,18,21,34-36H2,1-2H3,(H,50,54)(H,51,53)/t45-,47-,48+,49?/m1/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NC2CC3CCC2C3)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)CCCO
InChI: InChI=1S/C29H39N3O5/c1-4-36-29-22(11-8-14-33)23(17-25(37-29)27(34)30-24-16-19-12-13-20(24)15-19)26-18(2)31(3)32(28(26)35)21-9-6-5-7-10-21/h5-7,9-10,17,19-20,22-24,29,33H,4,8,11-16H2,1-3H3,(H,30,34)/t19?,20?,22-,23+,24?,29-/m1/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)N2[C@@H]([C@H](N([C@@H]2C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C(=O)OC)CCC5=CC=CC=C5
InChI: InChI=1S/C34H34N2O5S/c1-25-18-21-29(22-19-25)42(39)36-30(23-20-26-12-6-3-7-13-26)31(33(37)40-2)35(32(36)28-16-10-5-11-17-28)34(38)41-24-27-14-8-4-9-15-27/h3-19,21-22,30-32H,20,23-24H2,1-2H3/t30-,31+,32+,42+/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@@H]2C[C@H]2C(=O)N/N=C/C3=C(C(=C(C(=C3F)F)F)F)F
InChI: InChI=1S/C21H19F5N2O/c1-21(2,3)11-6-4-10(5-7-11)12-8-13(12)20(29)28-27-9-14-15(22)17(24)19(26)18(25)16(14)23/h4-7,9,12-13H,8H2,1-3H3,(H,28,29)/b27-9+/t12-,13+/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]([C@@H](OC1=O)C2=CC=CC=C2)C(=O)OC
InChI: InChI=1S/C16H19NO6/c1-16(2,3)23-15(20)17-11(13(18)21-4)12(22-14(17)19)10-8-6-5-7-9-10/h5-9,11-12H,1-4H3/t11-,12-/m0/s1
SMILES: C1C[C@@H]2[C@@H]3[C@H]([C@H]1[C@H]4[C@@H]2N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)[C@]7([C@@H]([C@@]3(C(=C7Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C26H21Cl5N2/c27-22-23(28)26(31)19-16-12-11-15(18(19)25(22,30)24(26)29)17-20(13-7-3-1-4-8-13)32-33(21(16)17)14-9-5-2-6-10-14/h1-10,15-19,21,24H,11-12H2/t15-,16-,17-,18+,19-,21-,24+,25+,26-/m1/s1
SMILES: C1=CC(=C(C=C1CCNC(=O)CCC(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O
InChI: InChI=1S/C18H25NO10/c20-10-2-1-9(7-11(10)21)5-6-19-13(22)3-4-14(23)28-8-12-15(24)16(25)17(26)18(27)29-12/h1-2,7,12,15-18,20-21,24-27H,3-6,8H2,(H,19,22)/t12-,15-,16+,17-,18?/m1/s1
SMILES: CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)OC)O)O)O)O)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O
InChI: InChI=1S/C37H52O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-25(49-37-32(42)30(40)31(41)33(50-37)36(46)47-3)21-27(39)29(23)35(45)48-24-18-22(2)28(34(43)44)26(38)20-24/h18-21,30-33,37-42H,4-17H2,1-3H3,(H,43,44)/t30-,31-,32+,33+,37+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](NC(=O)N[C@@]2(C(F)(F)F)O)C3=CN=CC=C3
InChI: InChI=1S/C17H14F3N3O3/c18-17(19,20)16(26)12(14(24)10-5-2-1-3-6-10)13(22-15(25)23-16)11-7-4-8-21-9-11/h1-9,12-13,26H,(H2,22,23,25)/t12-,13+,16-/m1/s1
SMILES: C[C@@H](/C=C/[C@@]1([C@](C[C@H](CC1(C)C)O)(C)O)O)O
InChI: InChI=1S/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/b6-5+/t9-,10-,12+,13+/m0/s1
SMILES: CC(=NNC(=O)C1=CC=NC=C1)C2=CC[C@H]3[C@@]2(CC[C@H]4[C@@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C27H37N3O2/c1-17(29-30-25(32)18-10-14-28-15-11-18)22-6-7-23-21-5-4-19-16-20(31)8-12-26(19,2)24(21)9-13-27(22,23)3/h6,10-11,14-15,19-21,23-24,31H,4-5,7-9,12-13,16H2,1-3H3,(H,30,32)/t19-,20-,21+,23+,24-,26-,27+/m0/s1
SMILES: C[C@@]1([C@@H](C[C@@H]([C@H](O1)C=O)O[Si](C)(C)C(C)(C)C)OCC2=CC=CC=C2)CCCOCC3=CC=CC=C3
InChI: InChI=1S/C30H44O5Si/c1-29(2,3)36(5,6)35-26-20-28(33-23-25-16-11-8-12-17-25)30(4,34-27(26)21-31)18-13-19-32-22-24-14-9-7-10-15-24/h7-12,14-17,21,26-28H,13,18-20,22-23H2,1-6H3/t26-,27+,28+,30-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]2[C@@H]([C@H]([C@@H](O1)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OCCCCCCN=[N+]=[N-])COC(=O)C)OC(=O)C)OC(O2)(C)C
InChI: InChI=1S/C31H47N3O16/c1-16(35)41-14-21-23(25(43-18(3)37)27(44-19(4)38)29(46-21)40-13-11-9-8-10-12-33-34-32)48-30-28(45-20(5)39)26-24(49-31(6,7)50-26)22(47-30)15-42-17(2)36/h21-30H,8-15H2,1-7H3/t21-,22-,23-,24+,25+,26+,27-,28-,29-,30+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)[C@@H](C[C@]34C)O
InChI: InChI=1S/C19H26O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13-,14-,16+,18-,19-/m0/s1
SMILES: C[C@@H]1C=C([C@H]2[C@@H]([C@@]1(CO[C@H]2C3=CC(=C(C=C3)OC(=O)C)OC)COC(=O)C)C)C
InChI: InChI=1S/C23H30O6/c1-13-9-14(2)23(11-27-16(4)24)12-28-22(21(13)15(23)3)18-7-8-19(29-17(5)25)20(10-18)26-6/h7-10,14-15,21-22H,11-12H2,1-6H3/t14-,15+,21+,22+,23-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl
InChI: InChI=1S/C17H20ClN3O/c1-12-7-5-6-10-14(12)20-15-11-19-21(17(22)16(15)18)13-8-3-2-4-9-13/h2-4,8-9,11-12,14,20H,5-7,10H2,1H3/t12-,14+/m1/s1
SMILES: C[C@@H]1CC(=C[C@@H]([C@@H]1C2OCC3(CO2)COC(OC3)[C@@H]4[C@H](CC(=C[C@@H]4C)C)C)C)C
InChI: InChI=1S/C25H40O4/c1-15-7-17(3)21(18(4)8-15)23-26-11-25(12-27-23)13-28-24(29-14-25)22-19(5)9-16(2)10-20(22)6/h7,9,17-24H,8,10-14H2,1-6H3/t17-,18-,19-,20+,21-,22-,23?,24?,25?/m0/s1
SMILES: C[C@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](CC2=NC(=CO2)C(=O)N3CCC[C@@H]3C(=O)O[C@H]1C(C)C)O)O)/C
InChI: InChI=1S/C28H39N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7,9-10,13,16-17,19-21,23,26,32-33H,6,8,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20+,21+,23+,26-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)OCC(C)C
InChI: InChI=1S/C20H29N5O2/c1-14(2)13-27-17-10-8-16(9-11-17)20-22-24-25(23-20)12-19(26)21-18-7-5-4-6-15(18)3/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H,21,26)/t15-,18-/m1/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2[C@@H]3CCCC[C@@]3(CCN2C(=O)C4=CC=CC=C4OC)O)OC
InChI: InChI=1S/C25H31NO5/c1-29-17-11-12-18(22(16-17)31-3)23-20-9-6-7-13-25(20,28)14-15-26(23)24(27)19-8-4-5-10-21(19)30-2/h4-5,8,10-12,16,20,23,28H,6-7,9,13-15H2,1-3H3/t20-,23-,25-/m0/s1
SMILES: CC(=O)OC[C@]1(C[C@@H]([C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)N[C@H]2C[C@@]([C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)(COC(=O)C)O)O
InChI: InChI=1S/C30H43NO18/c1-13(32)42-11-29(40)9-21(23(44-15(3)34)25(46-17(5)36)27(29)48-19(7)38)31-22-10-30(41,12-43-14(2)33)28(49-20(8)39)26(47-18(6)37)24(22)45-16(4)35/h21-28,31,40-41H,9-12H2,1-8H3/t21-,22-,23-,24-,25+,26+,27-,28-,29-,30-/m0/s1
SMILES: C1C=CC[C@@H]([C@H]1C(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4C=C3)C(=O)O
InChI: InChI=1S/C21H18N2O3S/c24-19(16-7-3-4-8-17(16)20(25)26)23-21-22-18(12-27-21)15-10-9-13-5-1-2-6-14(13)11-15/h1-6,9-12,16-17H,7-8H2,(H,25,26)(H,22,23,24)/t16-,17-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C21H24N2O3S/c1-14-6-10-17(11-7-14)27(25,26)23-19-5-3-2-4-18(19)21(24)22-20-13-15-8-9-16(20)12-15/h2-7,10-11,15-16,20,23H,8-9,12-13H2,1H3,(H,22,24)/t15-,16+,20+/m0/s1
SMILES: CCNC(=O)O/N=C/C1=CC=C(C=C1)C2C[C@]3(C(CC[C@]3(C#CC4=CC=C(C=C4)S(=O)(=O)C)O)C5C2=C6CCC(=O)C=C6CC5)C
InChI: InChI=1S/C37H40N2O6S/c1-4-38-35(41)45-39-23-25-5-9-26(10-6-25)32-22-36(2)33(31-15-11-27-21-28(40)12-16-30(27)34(31)32)18-20-37(36,42)19-17-24-7-13-29(14-8-24)46(3,43)44/h5-10,13-14,21,23,31-33,42H,4,11-12,15-16,18,20,22H2,1-3H3,(H,38,41)/b39-23+/t31?,32?,33?,36-,37-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)OS(=O)(=O)O)O
InChI: InChI=1S/C14H21NO17S2/c1-4(16)15-8-9(18)11(7(29-13(8)21)3-28-33(22,23)24)31-14-10(32-34(25,26)27)5(17)2-6(30-14)12(19)20/h2,5,7-11,13-14,17-18,21H,3H2,1H3,(H,15,16)(H,19,20)(H,22,23,24)(H,25,26,27)/t5-,7+,8+,9+,10+,11+,13?,14-/m0/s1
SMILES: CCN(CC)C(=O)[C@]1(C[C@H]1CN)C2=CC=CC=C2.C1CN=C(N1)C2COC3=CC=CC=C3O2
InChI: InChI=1S/C15H22N2O.C11H12N2O2/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h5-9,13H,3-4,10-11,16H2,1-2H3;1-4,10H,5-7H2,(H,12,13)/t13-,15+;/m0./s1
SMILES: C[C@H](CC1=CC=CC=C1)[C@@H](CCC[C@@]23[C@@H]([C@H]([C@@](O2)([C@@]([C@H](O3)C(=O)OC)(COCC4=CC=CC=C4)O)C(=O)OC)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C52H58O11/c1-38(32-39-20-9-4-10-21-39)44(59-34-41-24-13-6-14-25-41)30-19-31-51-45(60-35-42-26-15-7-16-27-42)46(61-36-43-28-17-8-18-29-43)52(63-51,49(54)57-3)50(55,47(62-51)48(53)56-2)37-58-33-40-22-11-5-12-23-40/h4-18,20-29,38,44-47,55H,19,30-37H2,1-3H3/t38-,44-,45-,46-,47-,50+,51+,52+/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H]([C@H]([C@@H]1O)O)N=C(S2)NCC3=CC=CO3)C(=O)N
InChI: InChI=1S/C13H17N3O4S/c14-12(19)7-4-8(17)10(18)9-11(7)21-13(16-9)15-5-6-2-1-3-20-6/h1-3,7-11,17-18H,4-5H2,(H2,14,19)(H,15,16)/t7-,8+,9-,10-,11+/m0/s1
SMILES: CN1C/C(=C\OC2=CC=C(C=C2)C(=O)OC)/[C@@H]([C@H]1C3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C22H23NO5/c1-23-13-17(14-28-18-11-9-16(10-12-18)21(24)26-2)19(22(25)27-3)20(23)15-7-5-4-6-8-15/h4-12,14,19-20H,13H2,1-3H3/b17-14+/t19-,20+/m0/s1
SMILES: C1CCC(C1)N2[C@@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H20N2O5/c24-20-17-8-4-3-7-16(17)18(21(25)26)19(22(20)14-5-1-2-6-14)13-9-11-15(12-10-13)23(27)28/h3-4,7-12,14,18-19H,1-2,5-6H2,(H,25,26)/p-1/t18-,19-/m1/s1
SMILES: C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O
InChI: InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23?,24-,25+,26+,27-,28+,31+,32?,33-,34-,35+/m1/s1
SMILES: CC1(OC[C@@]([C@@H](O1)[C@H]2CCO[C@H](O2)C3=CC=C(C=C3)OC)(C(=O)O)N=[N+]=[N-])C
InChI: InChI=1S/C18H23N3O7/c1-17(2)26-10-18(16(22)23,20-21-19)14(28-17)13-8-9-25-15(27-13)11-4-6-12(24-3)7-5-11/h4-7,13-15H,8-10H2,1-3H3,(H,22,23)/t13-,14+,15-,18-/m1/s1
SMILES: CC1=CC=C(C=C1)C2=N[C@H]3C=CC=C[C@@H]3S[C@H](C2)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C22H20N2O2S/c1-15-9-11-16(12-10-15)20-14-22(17-5-4-6-18(13-17)24(25)26)27-21-8-3-2-7-19(21)23-20/h2-13,19,21-22H,14H2,1H3/t19-,21-,22+/m0/s1
SMILES: CC1(OCC(=C(C(=O)OCC2=CC=CC=C2)N3[C@@H]([C@H](C3=O)NC(=O)C4=CC=CC=C4)SC)CO1)C
InChI: InChI=1S/C26H28N2O6S/c1-26(2)33-15-19(16-34-26)21(25(31)32-14-17-10-6-4-7-11-17)28-23(30)20(24(28)35-3)27-22(29)18-12-8-5-9-13-18/h4-13,20,24H,14-16H2,1-3H3,(H,27,29)/t20-,24+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)[C@@H](C)SC2=CC=CC=C2
InChI: InChI=1S/C18H27N3OS2/c1-12-8-7-11-16(13(12)2)19-18(23)21-20-17(22)14(3)24-15-9-5-4-6-10-15/h4-6,9-10,12-14,16H,7-8,11H2,1-3H3,(H,20,22)(H2,19,21,23)/t12-,13-,14-,16+/m1/s1
SMILES: CC(=O)N1C2=CC=CC=C2[C@@]3(C1=O)[C@@H](C(=O)O[C@]34C5=CC=CC=C5N(C4=O)C(=O)C)C6=CC=C(C=C6)C7=CC=C(C=C7)C#C
InChI: InChI=1S/C36H24N2O6/c1-4-23-13-15-24(16-14-23)25-17-19-26(20-18-25)31-32(41)44-36(28-10-6-8-12-30(28)38(22(3)40)34(36)43)35(31)27-9-5-7-11-29(27)37(21(2)39)33(35)42/h1,5-20,31H,2-3H3/t31-,35+,36+/m1/s1
SMILES: CN([C@H](CC1=CC=CC=C1)C(=O)NCCO)C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=C(C=C4)I)OC(O3)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C39H37IN2O7/c1-42(32(36(44)41-21-22-43)23-26-11-5-2-6-12-26)37(45)28-24-33(47-38(46)27-17-19-31(40)20-18-27)35-34(25-28)48-39(49-35,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-20,25,32-35,43H,21-24H2,1H3,(H,41,44)/t32-,33-,34-,35+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)O[C@H]2[C@@H](OCCO2)OC3=CC(=C(C=C3)C=O)OCC)C=O
InChI: InChI=1S/C22H24O8/c1-3-25-19-11-17(7-5-15(19)13-23)29-21-22(28-10-9-27-21)30-18-8-6-16(14-24)20(12-18)26-4-2/h5-8,11-14,21-22H,3-4,9-10H2,1-2H3/t21-,22-/m0/s1
SMILES: C[C@@H]1[C@@H](OC2(O1)[C@H]3CC[C@@]([C@@H]2OC(=O)C(=C)C(C4=CC=C(C=C4)[N+](=O)[O-])O)(C3(C)C)C)C
InChI: InChI=1S/C24H31NO7/c1-13(19(26)16-7-9-17(10-8-16)25(28)29)20(27)30-21-23(6)12-11-18(22(23,4)5)24(21)31-14(2)15(3)32-24/h7-10,14-15,18-19,21,26H,1,11-12H2,2-6H3/t14-,15+,18-,19?,21-,23-,24?/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3Br
InChI: InChI=1S/C17H20BrN3O3/c1-11-6-4-5-9-17(11)15(23)21(16(24)20-17)10-14(22)19-13-8-3-2-7-12(13)18/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,19,22)(H,20,24)/t11-,17-/m0/s1
SMILES: CN1C(=O)[C@@]2(CC3=CC=CC=C3N4[C@@H]2C[NH+](CC4)CC5=CC=CC=C5)C(=O)NC1=O
InChI: InChI=1S/C23H24N4O3/c1-25-21(29)23(20(28)24-22(25)30)13-17-9-5-6-10-18(17)27-12-11-26(15-19(23)27)14-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H,24,28,30)/p+1/t19-,23-/m1/s1
SMILES: CC(=O)C12[C@@H]3[C@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC=C6C#N
InChI: InChI=1S/C27H18N2O3/c1-15(30)27-19-11-5-3-9-17(19)22(18-10-4-6-12-20(18)27)23-24(27)26(32)29(25(23)31)21-13-7-2-8-16(21)14-28/h2-13,22-24H,1H3/t22?,23-,24+,27?/m0/s1
SMILES: CC1=C2CC[C@@H]3[C@@H](C2=CC=C1)CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C28H46OSi/c1-19-10-9-11-22-21(19)12-13-24-23(22)16-17-28(6)25(14-15-26(24)28)20(2)18-29-30(7,8)27(3,4)5/h9-11,20,23-26H,12-18H2,1-8H3/t20-,23-,24-,25-,26+,28-/m1/s1
SMILES: CC[Si](CC)(CC)OC[C@H]([C@H]([C@@H]([C@@H](C)[C@H]1[C@H](O1)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)C2=CC=CC=C2)O[Si](CC)(CC)CC
InChI: InChI=1S/C40H78O7Si4/c1-18-50(19-2,20-3)43-30-34(46-51(21-4,22-5)23-6)37(45-38(41)32-27-25-24-26-28-32)36(47-49(16,17)40(11,12)13)31(7)35-33(44-35)29-42-48(14,15)39(8,9)10/h24-28,31,33-37H,18-23,29-30H2,1-17H3/t31-,33+,34+,35-,36+,37+/m0/s1
SMILES: CC1(C[C@@H]([C@@H](O1)COCC2=CC=C(C=C2)OC)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H36O5Si/c1-20(2,3)27(7,8)26-21(4)13-18(23-6)19(25-21)15-24-14-16-9-11-17(22-5)12-10-16/h9-12,18-19H,13-15H2,1-8H3/t18-,19-,21?/m0/s1
SMILES: C[C@@H]1C[C@@]2([C@H]3[C@](O3)([C@H](O2)OC)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C(C8CC=C7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C
InChI: InChI=1S/C38H56O11/c1-18-13-38(30-35(7,48-30)31(43-8)49-38)47-21-14-33(5)23-10-9-22-32(3,4)24(46-29-28(42)27(41)20(40)16-44-29)11-12-36(22)17-37(23,36)15-25(45-19(2)39)34(33,6)26(18)21/h10,18,20-22,24-31,40-42H,9,11-17H2,1-8H3/t18-,20-,21+,22?,24+,25-,26+,27+,28-,29+,30-,31+,33+,34-,35+,36-,37+,38-/m1/s1
SMILES: C1CCC2(CC1)O[C@@H]3[C@H](O[C@@H]4[C@@H]([C@@H]3O2)OC5(O4)CCCCC5)CO
InChI: InChI=1S/C18H28O6/c19-11-12-13-14(22-17(21-13)7-3-1-4-8-17)15-16(20-12)24-18(23-15)9-5-2-6-10-18/h12-16,19H,1-11H2/t12-,13-,14-,15-,16+/m1/s1
SMILES: CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C24H30N2O/c1-17(2)26(22-6-4-3-5-7-22)23-12-10-21(11-13-23)25-24(27)16-20-15-18-8-9-19(20)14-18/h3-7,10-13,17-20H,8-9,14-16H2,1-2H3,(H,25,27)/t18-,19-,20-/m0/s1
SMILES: C1=CC=C(C=C1)NC(=O)O/N=C\2/[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C13H14N2O8/c16-7-8(17)10(12(19)20)22-11(9(7)18)15-23-13(21)14-6-4-2-1-3-5-6/h1-5,7-10,16-18H,(H,14,21)(H,19,20)/b15-11-/t7-,8-,9+,10-/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=CC=CC=C2[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCC9=CC(=C(C=C9C8)OC)OC
InChI: InChI=1S/C53H54N4O11/c1-31(2)43(49(60)66-5)54-52(63)56-39-19-13-12-18-38(39)53(51(56)62)42(48(59)55-25-24-35-28-40(64-3)41(65-4)29-36(35)30-55)45-50(61)68-46(33-16-10-7-11-17-33)44(32-14-8-6-9-15-32)57(45)47(53)34-20-22-37(23-21-34)67-27-26-58/h6-23,28-29,31,42-47,58H,24-27,30H2,1-5H3,(H,54,63)/t42-,43-,44-,45-,46+,47+,53-/m0/s1
SMILES: C1CCC(CC1)O[C@@H]2[C@H](C[C@H](O2)COCC3=CC=CC=C3)I
InChI: InChI=1S/C18H25IO3/c19-17-11-16(13-20-12-14-7-3-1-4-8-14)22-18(17)21-15-9-5-2-6-10-15/h1,3-4,7-8,15-18H,2,5-6,9-13H2/t16-,17-,18-/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](C5=CC=CC=C5)NC(=O)C(=C)C(C)F)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C45H52FNO14/c1-22(24(3)46)39(53)47-33(27-15-11-9-12-16-27)34(51)41(55)59-29-20-45(56)38(60-40(54)28-17-13-10-14-18-28)36-43(8,30(50)19-31-44(36,21-57-31)61-26(5)49)37(52)35(58-25(4)48)32(23(29)2)42(45,6)7/h9-18,24,29-31,33-36,38,50-51,56H,1,19-21H2,2-8H3,(H,47,53)/t24?,29-,30-,31+,33-,34-,35+,36-,38-,43+,44-,45+/m0/s1
SMILES: COC1=C(C=CC(=C1)O)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C7=CC=CC=C7
InChI: InChI=1S/C31H23Cl2FN4O6/c1-44-24-15-20(39)11-12-22(24)25-21-13-14-35-28(42)37(18-5-3-2-4-6-18)29(43)38(35)23(21)16-30(32)26(40)36(27(41)31(25,30)33)19-9-7-17(34)8-10-19/h2-13,15,23,25,39H,14,16H2,1H3/t23-,25-,30-,31+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](SC2=C(C=CC=C2Cl)N3C1=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H16ClNO2S/c1-13(23)24-18-16-11-6-12-22(16)17-10-5-9-15(21)20(17)25-19(18)14-7-3-2-4-8-14/h2-12,18-19H,1H3/t18-,19+/m0/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O.O.O.Cl
InChI: InChI=1S/C20H24N2O2.ClH.2H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;2*1H2/t13-,14+,19-,20+;;;/m0.../s1
SMILES: CCOC(=O)C1=NN([C@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C21H18ClN3O5/c1-3-30-21(28)17-16-18(25(23-17)13-8-6-7-12(22)11-13)20(27)24(19(16)26)14-9-4-5-10-15(14)29-2/h4-11,16,18H,3H2,1-2H3/t16-,18-/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOC)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]2(OC5=C4C=C(C=C5)OC(=O)NC6=C(C=C(C=C6)OC)OC)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C57H78FN3O11/c1-6-8-9-10-11-12-13-14-15-20-34-69-56(65)61(39-40-23-25-42(58)26-24-40)52-38-49(60-68-5)46-35-41(21-16-18-31-62)45(22-17-19-32-63)53-47-36-44(28-30-50(47)72-57(52,54(46)53)70-33-7-2)71-55(64)59-48-29-27-43(66-3)37-51(48)67-4/h7,23-30,35-37,41,45,52-54,62-63H,2,6,8-22,31-34,38-39H2,1,3-5H3,(H,59,64)/t41-,45+,52-,53+,54+,57+/m0/s1
SMILES: CC1=C(C[C@H]([C@H](C1)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)C(=O)O)C
InChI: InChI=1S/C23H30N2O3/c1-17-15-20(21(23(27)28)16-18(17)2)22(26)25-13-11-24(12-14-25)10-6-9-19-7-4-3-5-8-19/h3-9,20-21H,10-16H2,1-2H3,(H,27,28)/b9-6+/t20-,21+/m0/s1
SMILES: C1=CC=C2C(=C1)C3[C@@H]4[C@@H](C2(C5=CC=CC=C35)[N+](=O)[O-])C(=O)N(C4=O)CCCCO
InChI: InChI=1S/C22H20N2O5/c25-12-6-5-11-23-20(26)18-17-13-7-1-3-9-15(13)22(24(28)29,19(18)21(23)27)16-10-4-2-8-14(16)17/h1-4,7-10,17-19,25H,5-6,11-12H2/t17?,18-,19-,22?/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)OP(=S)(OCCC#N)OCCC#N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C35H52N7O7PSSi2/c1-34(2,3)52(7,8)46-22-26-28(49-53(9,10)35(4,5)6)29(48-50(51,44-20-14-18-36)45-21-15-19-37)33(47-26)42-24-40-27-30(38-23-39-31(27)42)41-32(43)25-16-12-11-13-17-25/h11-13,16-17,23-24,26,28-29,33H,14-15,20-22H2,1-10H3,(H,38,39,41,43)/t26-,28-,29-,33-/m1/s1