EdisonScientific/glyph-datasets huggingface dataset:
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C(=CC(=C6)Br)OC)O)C)C7=CC(=NN7C)C8=C(C9=C(S8)C=CC(=C9)Cl)C)(O)O
InChI: InChI=1S/C41H35BBrClN4O8S/c1-18-25-15-21(44)8-11-31(25)57-36(18)29-17-32(46(3)45-29)48-38(51)28-16-26-23(34(41(28,2)40(48)53)27-13-20(43)14-30(56-4)35(27)49)9-10-24-33(26)39(52)47(37(24)50)22-7-5-6-19(12-22)42(54)55/h5-9,11-15,17,24,26,28,33-34,49,54-55H,10,16H2,1-4H3/t24-,26+,28-,33-,34+,41+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=C)CCC4=CC(=C(C=C34)OC)C(=O)N
InChI: InChI=1S/C21H27NO2/c1-12-4-7-18-15-6-5-13-10-17(20(22)23)19(24-3)11-16(13)14(15)8-9-21(12,18)2/h10-11,14-15,18H,1,4-9H2,2-3H3,(H2,22,23)/t14-,15+,18-,21+/m0/s1
SMILES: CC1=C[C@H]2[C@@]3([C@H]([C@H](N2C4=CC=CC=C14)C(=O)C5=CC=CS5)C(=O)C6=CC=C(C=C6)Cl)C7=CC=CC=C7NC3=O
InChI: InChI=1S/C32H23ClN2O3S/c1-18-17-26-32(22-8-3-4-9-23(22)34-31(32)38)27(29(36)19-12-14-20(33)15-13-19)28(30(37)25-11-6-16-39-25)35(26)24-10-5-2-7-21(18)24/h2-17,26-28H,1H3,(H,34,38)/t26-,27+,28-,32+/m0/s1
SMILES: CC(=O)OCCCN(CCCCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)C(=O)[C@H]3[C@@H](OC4=C3C=C(C=C4)[C@H](CC(=O)OC)NS(=O)(=O)C5=CC=CC=C5[N+](=O)[O-])C6=CC=C(C=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C57H63N3O12SSi/c1-41(61)69-36-19-35-59(34-17-18-37-71-74(57(2,3)4,46-22-11-7-12-23-46)47-24-13-8-14-25-47)56(63)54-48-38-44(49(39-53(62)68-5)58-73(66,67)52-27-16-15-26-50(52)60(64)65)30-33-51(48)72-55(54)43-28-31-45(32-29-43)70-40-42-20-9-6-10-21-42/h6-16,20-33,38,49,54-55,58H,17-19,34-37,39-40H2,1-5H3/t49-,54+,55-/m0/s1
SMILES: C1=CC=C2C(=C1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC=CC(=C5)C(=O)N)O)O)OP(=O)(O)O)O)O
InChI: InChI=1S/C23H28N4O14P2/c24-21(32)12-4-3-7-26(8-12)22-19(30)17(28)15(39-22)9-37-43(36,41-42(33,34)35)38-10-16-18(29)20(31)23(40-16)27-11-25-13-5-1-2-6-14(13)27/h1-8,11,15-20,22-23,28-31H,9-10H2,(H3-,24,32,33,34,35)/p+1/t15-,16-,17-,18-,19-,20-,22-,23-,43?/m1/s1
SMILES: C1CN2[C@@H]([C@H]3[C@H](N2C1)C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C5=CC=CC=C5
InChI: InChI=1S/C20H18ClN3O2/c21-14-8-4-9-15(12-14)24-19(25)16-17(13-6-2-1-3-7-13)22-10-5-11-23(22)18(16)20(24)26/h1-4,6-9,12,16-18H,5,10-11H2/t16-,17+,18-/m0/s1
SMILES: C/C/1=C\CC/C(=C/C[C@@H]2CC[C@@]([C@H](C2(C)C)CC1)(C)O)/C
InChI: InChI=1S/C20H34O/c1-15-7-6-8-16(2)10-12-18-19(3,4)17(11-9-15)13-14-20(18,5)21/h8-9,17-18,21H,6-7,10-14H2,1-5H3/b15-9+,16-8+/t17-,18+,20-/m1/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)CO)OC(=O)CCOC)C)O
InChI: InChI=1S/C25H36O7/c1-23-9-6-16(27)12-15(23)4-5-17-18-7-10-25(20(29)14-26,32-21(30)8-11-31-3)24(18,2)13-19(28)22(17)23/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C20H39NO7/c1-2-3-4-5-6-7-8-9-10-11-12-21-16(23)14-27-20-19(26)18(25)17(24)15(13-22)28-20/h15,17-20,22,24-26H,2-14H2,1H3,(H,21,23)/t15-,17-,18+,19-,20+/m1/s1
SMILES: CC1=CC=CC=C1N2[C@H]3[C@H](C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC=C4OC
InChI: InChI=1S/C21H19N3O5/c1-12-8-4-5-9-13(12)24-18-16(17(22-24)21(27)29-3)19(25)23(20(18)26)14-10-6-7-11-15(14)28-2/h4-11,16,18H,1-3H3/t16-,18-/m0/s1
SMILES: C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=C\C=O)CC=C4[C@@]3(CC[C@@H](C4)O)C
InChI: InChI=1S/C21H30O2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22)5-3-15-13-16(23)7-10-21(15,19)2/h3,9,12,16-19,23H,4-8,10-11,13H2,1-2H3/b14-9+/t16-,17-,18-,19-,20+,21-/m0/s1
SMILES: CC1=C(SC(=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O)CC(=O)O
InChI: InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCCCCCCCl)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C33H41ClO5/c1-26-30(36-23-27-15-7-4-8-16-27)31(37-24-28-17-9-5-10-18-28)32(38-25-29-19-11-6-12-20-29)33(39-26)35-22-14-3-2-13-21-34/h4-12,15-20,26,30-33H,2-3,13-14,21-25H2,1H3/t26-,30+,31+,32-,33-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC)CO)O)O)O)O)O
InChI: InChI=1S/C13H24O10/c1-4-6(15)8(17)10(19)12(21-4)23-11-9(18)7(16)5(3-14)22-13(11)20-2/h4-19H,3H2,1-2H3/t4-,5+,6+,7-,8+,9-,10-,11+,12-,13+/m0/s1
SMILES: CCCCC1C[C@]23C[C@]1(CC[C@H]2[C@]45CC[C@@H]([C@@]([C@H]4[C@@H]3C(=O)OCOC)(C(=O)O5)C)O)OC(=O)C
InChI: InChI=1S/C26H38O8/c1-5-6-7-16-12-24-13-25(16,33-15(2)27)10-8-17(24)26-11-9-18(28)23(3,22(30)34-26)20(26)19(24)21(29)32-14-31-4/h16-20,28H,5-14H2,1-4H3/t16?,17-,18+,19-,20-,23+,24+,25+,26-/m1/s1
SMILES: CC[C@]12CN(CCC3=C(CC1OC)NC4=CC=CC=C34)C[C@@H]5[C@H]2O5
InChI: InChI=1S/C20H26N2O2/c1-3-20-12-22(11-17-19(20)24-17)9-8-14-13-6-4-5-7-15(13)21-16(14)10-18(20)23-2/h4-7,17-19,21H,3,8-12H2,1-2H3/t17-,18?,19-,20+/m1/s1
SMILES: C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=O)[C@@H]5CC=CC[C@@H]5C4=O
InChI: InChI=1S/C23H32N2O3/c1-14(23-11-15-8-16(12-23)10-17(9-15)13-23)24-20(26)6-7-25-21(27)18-4-2-3-5-19(18)22(25)28/h2-3,14-19H,4-13H2,1H3,(H,24,26)/t14-,15?,16?,17?,18-,19+,23?/m1/s1
SMILES: COC1=C(C=C2C(=C1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)OC2=O)O
InChI: InChI=1S/C20H26O14/c1-30-16-6(22)2-5-9(12(16)25)17-18(34-19(5)29)14(27)11(24)8(32-17)4-31-20-15(28)13(26)10(23)7(3-21)33-20/h2,7-8,10-11,13-15,17-18,20-28H,3-4H2,1H3/t7-,8-,10+,11-,13+,14+,15-,17+,18-,20?/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]2([C@H]1C(=O)C[18F])C
InChI: InChI=1S/C21H29FO2/c1-12-9-18-17-5-3-13-10-14(23)4-6-15(13)16(17)7-8-21(18,2)20(12)19(24)11-22/h10,12,15-18,20H,3-9,11H2,1-2H3/t12-,15+,16-,17-,18+,20-,21+/m1/s1/i22-1
SMILES: C1CC[C@]2(CCN([C@@H]([C@H]2C1)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CO5)O
InChI: InChI=1S/C21H23NO5/c23-20(17-5-3-11-25-17)22-10-9-21(24)8-2-1-4-15(21)19(22)14-6-7-16-18(12-14)27-13-26-16/h3,5-7,11-12,15,19,24H,1-2,4,8-10,13H2/t15-,19-,21-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OCC4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)C8=CC=CC=C8
InChI: InChI=1S/C49H50O13/c1-52-46(51)42-40(55-29-33-20-10-4-11-21-33)41(56-30-34-22-12-5-13-23-34)44(59-45(50)35-24-14-6-15-25-35)49(61-42)62-43-39(54-28-32-18-8-3-9-19-32)38-37(58-48(43)53-2)31-57-47(60-38)36-26-16-7-17-27-36/h3-27,37-44,47-49H,28-31H2,1-2H3/t37-,38-,39+,40+,41+,42+,43+,44-,47-,48+,49+/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)NCC5=CC=CC=C5)CN6[C@@H]7CCCC[C@@H]7CC[C@@H]6C(=O)NC(C)(C)C
InChI: InChI=1S/C48H60N4O5/c1-32-43(30-52-41-19-9-8-15-36(41)24-25-42(52)45(54)51-48(2,3)4)56-46(57-44(32)37-22-20-34(31-53)21-23-37)40-18-11-17-39(27-40)38-16-10-14-35(26-38)29-50-47(55)49-28-33-12-6-5-7-13-33/h5-7,10-14,16-18,20-23,26-27,32,36,41-44,46,53H,8-9,15,19,24-25,28-31H2,1-4H3,(H,51,54)(H2,49,50,55)/t32-,36+,41+,42+,43+,44+,46+/m0/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=N\NC(=O)COC3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C17H17N3O5/c1-11-8-13(11)15-7-6-12(25-15)9-18-19-17(21)10-24-16-5-3-2-4-14(16)20(22)23/h2-7,9,11,13H,8,10H2,1H3,(H,19,21)/b18-9-/t11-,13+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C(C)(C)C
InChI: InChI=1S/C29H31NO7/c1-13-9-19(31)24-18(25(13)32)12-17-15(22(24)14-10-20(36-5)26(33)21(11-14)37-6)7-8-16-23(17)28(35)30(27(16)34)29(2,3)4/h7,9-11,16-17,22-23,33H,8,12H2,1-6H3/t16-,17+,22-,23-/m0/s1
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C\N5C[C@@H](C[C@H]5C(=O)O)O)/C4=C(C3=O)O)COC)C)C
InChI: InChI=1S/C28H33NO11/c1-12(30)39-17-8-27(2)15(5-6-18(27)32)20-22(17)28(3)19(11-38-4)40-26(37)14(21(28)24(34)23(20)33)10-29-9-13(31)7-16(29)25(35)36/h10,13,15-17,19,31,34H,5-9,11H2,1-4H3,(H,35,36)/b14-10-/t13-,15+,16+,17-,19-,27+,28+/m1/s1
SMILES: COC1=C(C=CC(=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C45H40N2O7/c1-53-38-24-31(48)16-17-33(38)41-32-18-19-34-40(44(52)47(43(34)51)30-14-12-29(13-15-30)46-20-22-54-23-21-46)36(32)25-37-42(50)35(27-8-4-2-5-9-27)26-39(49)45(37,41)28-10-6-3-7-11-28/h2-18,24,26,34,36-37,40-41,48H,19-23,25H2,1H3/t34-,36+,37-,40-,41+,45-/m0/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)CN4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CN(C)[C@H](C)C6=CC7=CC=CC=C7C=C6
InChI: InChI=1S/C45H47N3O7/c1-29-40(26-47(3)30(2)37-22-21-34-11-7-8-12-38(34)23-37)54-44(55-42(29)35-17-15-32(27-49)16-18-35)36-19-13-31(14-20-36)25-48-41(50)24-39(43(48)51)46-45(52)53-28-33-9-5-4-6-10-33/h4-23,29-30,39-40,42,44,49H,24-28H2,1-3H3,(H,46,52)/t29-,30+,39?,40+,42+,44+/m0/s1
SMILES: CC1=C2[C@H](C[C@@]3(CC[C@@H]([C@]([C@H]3[C@@H]([C@@H](C2(C)C)[C@H](C1)OC(=O)C)O)(COC(=O)C)O)O)C)OC(=O)C
InChI: InChI=1S/C26H40O9/c1-13-10-17(34-15(3)28)21-22(31)23-25(7,9-8-19(30)26(23,32)12-33-14(2)27)11-18(35-16(4)29)20(13)24(21,5)6/h17-19,21-23,30-32H,8-12H2,1-7H3/t17-,18-,19-,21-,22+,23-,25-,26-/m0/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CC3)C(=O)C(=O)N)C24CCCC4)NC(=O)NC5(CCCCC5)CS(=O)(=O)C
InChI: InChI=1S/C32H51N5O7S/c1-30(2,3)25(35-29(42)36-31(18-45(4,43)44)12-6-5-7-13-31)28(41)37-17-20-22(32(20)14-8-9-15-32)23(37)27(40)34-21(16-19-10-11-19)24(38)26(33)39/h19-23,25H,5-18H2,1-4H3,(H2,33,39)(H,34,40)(H2,35,36,42)/t20-,21?,22-,23-,25+/m0/s1
SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
InChI: InChI=1S/C44H34O22/c45-17-9-20(47)32-30(10-17)63-40(14-3-24(51)36(58)25(52)4-14)42(66-44(62)16-7-28(55)38(60)29(56)8-16)34(32)33-21(48)12-19(46)18-11-31(64-43(61)15-5-26(53)37(59)27(54)6-15)39(65-41(18)33)13-1-22(49)35(57)23(50)2-13/h1-10,12,31,34,39-40,42,45-60H,11H2/t31-,34-,39-,40-,42-/m1/s1
SMILES: C[C@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)F
InChI: InChI=1S/C17H18ClFN2O6/c1-9-4-15(22)11(12(9)7-21(25)26)6-17(24)27-8-16(23)20-14-5-10(18)2-3-13(14)19/h2-3,5,9,11-12H,4,6-8H2,1H3,(H,20,23)/t9-,11-,12+/m0/s1
SMILES: CCOC(=O)C([C@@H]1CC(=O)N([C@H]1CC(=O)OC)C(=O)OC(C)(C)C)C(=O)OCC
InChI: InChI=1S/C19H29NO9/c1-7-27-16(23)15(17(24)28-8-2)11-9-13(21)20(12(11)10-14(22)26-6)18(25)29-19(3,4)5/h11-12,15H,7-10H2,1-6H3/t11-,12+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)C)Cl
InChI: InChI=1S/C20H29ClN2O3S/c1-14-9-10-17(12-18(14)21)27(25,26)23-11-5-7-16(13-23)20(24)22-19-8-4-3-6-15(19)2/h9-10,12,15-16,19H,3-8,11,13H2,1-2H3,(H,22,24)/t15-,16+,19+/m1/s1
SMILES: C1=CC=C(C=C1)[C@]2([C@@H](N2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C(F)F
InChI: InChI=1S/C21H18F2NOP/c22-19(23)21(16-10-4-1-5-11-16)20(24-21)26(25,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19-20,24H/t20-,21+/m0/s1
SMILES: CC1=C(C(=CC=C1)C)N(C2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)[C@H]5CC=CC[C@@H]5C4=O
InChI: InChI=1S/C25H23N3O3S/c1-15-8-7-9-16(2)22(15)28(25-26-19-12-5-6-13-20(19)32-25)21(29)14-27-23(30)17-10-3-4-11-18(17)24(27)31/h3-9,12-13,17-18H,10-11,14H2,1-2H3/t17-,18-/m0/s1
SMILES: CC1([C@@H]2[C@H]1[C@H]3C(=O)N[C@H](CCCCCCCOC[C@H](C(=O)N3C2)NC(=O)N[C@H](CN(C)S(=O)(=O)C4=CC=CS4)C(C)(C)C)C(=O)C(=O)NCC=C)C
InChI: InChI=1S/C36H56N6O8S2/c1-8-17-37-32(45)30(43)24-15-12-10-9-11-13-18-50-22-25(33(46)42-20-23-28(36(23,5)6)29(42)31(44)38-24)39-34(47)40-26(35(2,3)4)21-41(7)52(48,49)27-16-14-19-51-27/h8,14,16,19,23-26,28-29H,1,9-13,15,17-18,20-22H2,2-7H3,(H,37,45)(H,38,44)(H2,39,40,47)/t23-,24+,25+,26+,28-,29-/m0/s1
SMILES: CN(C)P(=S)([C@@]1([C@@H](ON=N1)C2=CC=CC=C2)[Si](C)(C)C)N(C)C
InChI: InChI=1S/C15H27N4OPSSi/c1-18(2)21(22,19(3)4)15(23(5,6)7)14(20-17-16-15)13-11-9-8-10-12-13/h8-12,14H,1-7H3/t14-,15-/m0/s1
SMILES: CCOC(=O)[C@@]1([C@H](C(=C(O1)C)C(=O)OC(C)(C)C)C2=CC=CC=C2[N+](=O)[O-])O
InChI: InChI=1S/C19H23NO8/c1-6-26-17(22)19(23)15(12-9-7-8-10-13(12)20(24)25)14(11(2)27-19)16(21)28-18(3,4)5/h7-10,15,23H,6H2,1-5H3/t15-,19-/m0/s1
SMILES: COCCN1C(=O)[C@]2(CC3=CC=CC=C3N4[C@@H]2COCC4)C(=O)NC1=O
InChI: InChI=1S/C18H21N3O5/c1-25-8-6-21-16(23)18(15(22)19-17(21)24)10-12-4-2-3-5-13(12)20-7-9-26-11-14(18)20/h2-5,14H,6-11H2,1H3,(H,19,22,24)/t14-,18+/m1/s1
SMILES: CCCCCCCCCCS[C@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)C(=O)N[C@@H](C)C(=O)N
InChI: InChI=1S/C20H38N2O5S/c1-3-4-5-6-7-8-9-10-11-28-18-14(12-15(23)16(24)17(18)25)20(27)22-13(2)19(21)26/h13-18,23-25H,3-12H2,1-2H3,(H2,21,26)(H,22,27)/t13-,14-,15+,16-,17-,18-/m0/s1
SMILES: CCCCCCCCCCCCC/C=C/C[C@@H]1[C@H]([C@](C(=O)O1)(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C)O
InChI: InChI=1S/C32H61NO6Si/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27(34)32(28(35)38-26,33-29(36)39-30(2,3)4)25-37-40(8,9)31(5,6)7/h22-23,26-27,34H,10-21,24-25H2,1-9H3,(H,33,36)/b23-22+/t26-,27-,32+/m1/s1
SMILES: CCCCCCCC(=O)O[C@H]1CC2[C@](CC[C@@H]([C@@]2(C)COC(=O)C)OC(=O)C)(C3[C@@]1(OC4=C([C@@H]3O)C(=O)OC(=C4)C5=CN=CC=C5)C)C
InChI: InChI=1S/C37H49NO10/c1-7-8-9-10-11-14-30(41)47-29-19-27-35(4,16-15-28(45-23(3)40)36(27,5)21-44-22(2)39)33-32(42)31-26(48-37(29,33)6)18-25(46-34(31)43)24-13-12-17-38-20-24/h12-13,17-18,20,27-29,32-33,42H,7-11,14-16,19,21H2,1-6H3/t27?,28-,29-,32-,33?,35-,36-,37+/m0/s1
SMILES: CN1C[C@H]2C[C@@H](CC[C@]2(C1)C3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C26H34N2O5/c1-28-15-19-13-20(27-25(29)17-6-8-21(30-2)23(12-17)32-4)10-11-26(19,16-28)18-7-9-22(31-3)24(14-18)33-5/h6-9,12,14,19-20H,10-11,13,15-16H2,1-5H3,(H,27,29)/t19-,20-,26+/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)CCCCCCCCCCC(=O)O
InChI: InChI=1S/C43H60O9/c1-41-22-20-32(50-37(46)13-11-9-7-5-4-6-8-10-12-36(44)45)25-30(41)16-19-34-33(41)21-23-42(2)39(29-24-38(47)49-27-29)35-26-43(34,42)52-40(51-35)28-14-17-31(48-3)18-15-28/h14-15,17-18,24,30,32-35,39-40H,4-13,16,19-23,25-27H2,1-3H3,(H,44,45)/t30-,32+,33+,34-,35+,39+,40?,41+,42-,43+/m1/s1
SMILES: CN1C(=O)[C@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2C3=CC(=CC=C3)F)(CO)C(=O)OC
InChI: InChI=1S/C16H17FN2O5/c1-19-13(21)10-11(14(19)22)16(7-20,15(23)24-2)18-12(10)8-4-3-5-9(17)6-8/h3-6,10-12,18,20H,7H2,1-2H3/p+1/t10-,11-,12-,16+/m0/s1
SMILES: CC[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C21H26N2O/c1-2-15-14-23-10-9-18(15)12-20(23)13-22-21(24)19-8-7-16-5-3-4-6-17(16)11-19/h3-8,11,15,18,20H,2,9-10,12-14H2,1H3,(H,22,24)/p+1/t15-,18-,20+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3
InChI: InChI=1S/C21H27N3O4/c1-14-8-7-11-17(15(14)2)22-19(25)13-28-21(26)20-18(27-3)12-24(23-20)16-9-5-4-6-10-16/h4-6,9-10,12,14-15,17H,7-8,11,13H2,1-3H3,(H,22,25)/t14-,15+,17+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC2=CC=C(C=C2)C3=NC(=CS3)C
InChI: InChI=1S/C20H26N2O2S/c1-13-5-4-6-18(15(13)3)22-19(23)11-24-17-9-7-16(8-10-17)20-21-14(2)12-25-20/h7-10,12-13,15,18H,4-6,11H2,1-3H3,(H,22,23)/t13-,15-,18-/m0/s1
SMILES: C[C@@]1([C@@H]2CCC(C[C@H]2C3=C(O1)C=C(C=C3OCC=C)C(C)(C)CCCCCCBr)(OC)OC)C#CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C37H59BrO5Si/c1-12-23-41-31-25-28(35(5,6)19-15-13-14-16-22-38)26-32-33(31)29-27-37(39-8,40-9)21-18-30(29)36(7,43-32)20-17-24-42-44(10,11)34(2,3)4/h12,25-26,29-30H,1,13-16,18-19,21-24,27H2,2-11H3/t29-,30-,36+/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)CC4=CC5=C(C=C4)N[C@@H]([C@H]6[C@@H]5C=CC6)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C37H34N2/c1-3-9-26(10-4-1)36-30-15-7-13-28(30)32-22-24(17-19-34(32)38-36)21-25-18-20-35-33(23-25)29-14-8-16-31(29)37(39-35)27-11-5-2-6-12-27/h1-14,17-20,22-23,28-31,36-39H,15-16,21H2/t28-,29-,30+,31+,36+,37+/m0/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@@H]([C@H]2Br)Br)C(=O)N(C3=O)C4=CC=CC=C4C(=O)O
InChI: InChI=1S/C16H13Br2NO4/c17-12-7-5-8(13(12)18)11-10(7)14(20)19(15(11)21)9-4-2-1-3-6(9)16(22)23/h1-4,7-8,10-13H,5H2,(H,22,23)/t7-,8+,10+,11-,12-,13-/m0/s1
SMILES: CC1=CC(=C(C=C1NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)OC)OC
InChI: InChI=1S/C19H24N2O5/c1-11-8-15(25-2)16(26-3)9-14(11)20-17(22)10-21-18(23)12-6-4-5-7-13(12)19(21)24/h8-9,12-13H,4-7,10H2,1-3H3,(H,20,22)/t12-,13-/m0/s1
SMILES: C([C@]1([C@H]2[C@H]3[C@H](N=C(N[C@@]34[C@H]([C@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O
InChI: InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4+,5+,6+,7-,9+,10+,11-/m0/s1
SMILES: CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C(=O)COC(=O)C
InChI: InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1
SMILES: C[C@@]12[C@@H]([C@@H](C([C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)O)NC)OC
InChI: InChI=1S/C28H26N4O4/c1-28-25(35-3)21(29-2)24(33)27(36-28)31-16-10-6-4-8-13(16)19-20-15(12-30-26(20)34)18-14-9-5-7-11-17(14)32(28)23(18)22(19)31/h4-11,21,24-25,27,29,33H,12H2,1-3H3,(H,30,34)/t21-,24?,25-,27-,28+/m1/s1
SMILES: COC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H](/C(=C/C4=COC=C4)/O3)O)O)O)Cl
InChI: InChI=1S/C24H23ClO6/c1-29-18-5-2-14(3-6-18)10-17-12-16(4-7-19(17)25)24-23(28)22(27)21(26)20(31-24)11-15-8-9-30-13-15/h2-9,11-13,21-24,26-28H,10H2,1H3/b20-11-/t21-,22+,23-,24+/m1/s1
SMILES: CCC#CC[C@H](C)[C@@H](C#C[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)C2)OC3CCCCO3)OC4CCCCO4
InChI: InChI=1S/C28H40O5/c1-3-4-5-10-20(2)25(32-27-11-6-8-15-30-27)14-13-23-24-19-22(29)17-21(24)18-26(23)33-28-12-7-9-16-31-28/h20-21,23-28H,3,6-12,15-19H2,1-2H3/t20-,21-,23+,24-,25+,26+,27?,28?/m0/s1
SMILES: CCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)OC
InChI: InChI=1S/C22H30N2O6/c1-4-29-18-11-9-16(13-19(18)28-3)10-12-21(26)30-14-20(25)24-22(27)23-17-8-6-5-7-15(17)2/h9-13,15,17H,4-8,14H2,1-3H3,(H2,23,24,25,27)/b12-10+/t15-,17+/m1/s1
SMILES: CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)SCCC6=CC=NC=C6)OCC=C)C
InChI: InChI=1S/C43H54N2O6S/c1-5-23-49-43-40(52-24-18-31-16-19-44-20-17-31)28-38(45-48-4)36-26-32(10-6-8-21-46)35(11-7-9-22-47)41(42(36)43)37-27-34(14-15-39(37)51-43)50-33-13-12-29(2)30(3)25-33/h5,12-17,19-20,25-27,32,35,40-42,46-47H,1,6-11,18,21-24,28H2,2-4H3/t32-,35+,40-,41+,42+,43+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C20H39NO7Si/c1-18(2,3)28-17(23)21-14(16(22)24-9)15-13(26-20(7,8)27-15)12-25-29(10,11)19(4,5)6/h13-15H,12H2,1-11H3,(H,21,23)/t13-,14-,15+/m0/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5
InChI: InChI=1S/C24H31N3O2S/c28-22(26-15-7-9-17-8-1-6-14-21(17)26)16-30-24-25-20-13-5-4-12-19(20)23(29)27(24)18-10-2-3-11-18/h4-5,12-13,17-18,21H,1-3,6-11,14-16H2/t17-,21-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]([C@@H]([C@@H]1C(=O)OC)CC(=O)C(=O)OC)C(=O)OC
InChI: InChI=1S/C15H20O9/c1-7(16)24-11-6-9(13(18)21-2)8(12(11)15(20)23-4)5-10(17)14(19)22-3/h8-9,11-12H,5-6H2,1-4H3/t8-,9-,11+,12-/m0/s1
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C(/[C@@]4(C[C@@H](C(=CC4C(=O)O3)C)OC)O)\COC(=O)CN)C)\C)O[C@@H]1C
InChI: InChI=1S/C34H51NO8/c1-21-8-7-9-26(20-40-31(36)19-35)34(38)18-30(39-6)24(4)15-29(34)32(37)41-28-16-27(11-10-22(2)14-21)43-33(17-28)13-12-23(3)25(5)42-33/h7-10,15,21,23,25,27-30,38H,11-14,16-20,35H2,1-6H3/b8-7+,22-10+,26-9+/t21-,23-,25+,27+,28-,29?,30-,33-,34+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1C(=O)NCCN)C(=O)O)[NH3+].C(=O)(C(F)(F)F)[O-]
InChI: InChI=1S/C11H18N4O5.C2HF3O2/c1-5(16)15-8-6(13)4-7(11(18)19)20-9(8)10(17)14-3-2-12;3-2(4,5)1(6)7/h4,6,8-9H,2-3,12-13H2,1H3,(H,14,17)(H,15,16)(H,18,19);(H,6,7)/t6-,8+,9+;/m0./s1
SMILES: CC1(OCC(O1)CCOP(=O)(N(C)CCBr)OC[C@@H]2[C@H](C[C@@H](O2)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C25H45BrN3O9PSi/c1-24(2,3)40(7,8)38-19-15-22(29-12-9-21(30)27-23(29)31)36-20(19)17-35-39(32,28(6)13-11-26)34-14-10-18-16-33-25(4,5)37-18/h9,12,18-20,22H,10-11,13-17H2,1-8H3,(H,27,30,31)/t18?,19-,20+,22+,39?/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)N)O.Cl
InChI: InChI=1S/C26H27NO10.ClH/c1-10-21(30)14(27)6-17(36-10)37-15-8-26(35,16(29)9-28)7-13-18(15)25(34)20-19(24(13)33)22(31)11-4-2-3-5-12(11)23(20)32;/h2-5,10,14-15,17,21,28,30,33-35H,6-9,27H2,1H3;1H/t10-,14-,15-,17-,21+,26-;/m0./s1
SMILES: C[C@]1([C@@](O[C@H]2[C@H](O1)C=CC(=O)[C@@]2(CC=C)O)(C)OC)OC
InChI: InChI=1S/C15H22O6/c1-6-9-15(17)11(16)8-7-10-12(15)21-14(3,19-5)13(2,18-4)20-10/h6-8,10,12,17H,1,9H2,2-5H3/t10-,12+,13+,14+,15-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N4CC[C@@H](C4)N(C)C(=O)CN=C(N)N)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C23H35N7O6S/c1-10-17-16(11(2)31)21(34)30(17)18(22(35)36)19(10)37-13-6-14(26-7-13)20(33)29-5-4-12(9-29)28(3)15(32)8-27-23(24)25/h10-14,16-17,26,31H,4-9H2,1-3H3,(H,35,36)(H4,24,25,27)/t10-,11-,12+,13+,14+,16-,17-/m1/s1
SMILES: C[C@H]1CC2C3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@@]1(C(=O)CO)OC(=O)N[C@@H](C)C(=O)OC)C)O)F)C
InChI: InChI=1S/C27H36FNO8/c1-14-10-19-18-7-6-16-11-17(31)8-9-24(16,3)26(18,28)20(32)12-25(19,4)27(14,21(33)13-30)37-23(35)29-15(2)22(34)36-5/h8-9,11,14-15,18-20,30,32H,6-7,10,12-13H2,1-5H3,(H,29,35)/t14-,15-,18?,19?,20-,24-,25-,26?,27+/m0/s1
SMILES: CCO[C@@H]1[C@@H]2[C@@](O2)(C(=O)O1)S(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C13H14O6S/c1-3-17-11-10-13(19-10,12(14)18-11)20(15,16)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3/t10-,11+,13+/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)NC(=O)C4=NC5=CC=CC=C5N=C4)CSC6=NN=NN6C
InChI: InChI=1S/C30H29N7O4S/c1-18-26(17-42-30-34-35-36-37(30)2)40-29(41-27(18)20-9-7-19(16-38)8-10-20)21-11-13-22(14-12-21)32-28(39)25-15-31-23-5-3-4-6-24(23)33-25/h3-15,18,26-27,29,38H,16-17H2,1-2H3,(H,32,39)/t18-,26+,27+,29+/m0/s1
SMILES: CC1=C(C2=C(C=C1)[C@]3([C@H]4[C@@H]([C@@H]5N3CCC5)C(=O)N(C4=O)C6=CC=C(C=C6)Br)C(=O)N2)C
InChI: InChI=1S/C24H22BrN3O3/c1-12-5-10-16-20(13(12)2)26-23(31)24(16)19-18(17-4-3-11-27(17)24)21(29)28(22(19)30)15-8-6-14(25)7-9-15/h5-10,17-19H,3-4,11H2,1-2H3,(H,26,31)/t17-,18-,19+,24+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC3=C(C=C(C=C3OC)OC)O[C@@H]2C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C26H28O8S/c1-16-6-9-19(10-7-16)35(27,28)34-25-15-20-22(31-4)13-18(29-2)14-23(20)33-26(25)17-8-11-21(30-3)24(12-17)32-5/h6-14,25-26H,15H2,1-5H3/t25-,26+/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)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)CSC6=NC=NN6
InChI: InChI=1S/C34H33N5O5S/c1-22-30(20-45-34-35-21-36-39-34)43-32(44-31(22)24-12-10-23(19-40)11-13-24)25-6-5-7-27(18-25)38-33(41)37-26-14-16-29(17-15-26)42-28-8-3-2-4-9-28/h2-18,21-22,30-32,40H,19-20H2,1H3,(H,35,36,39)(H2,37,38,41)/t22-,30+,31+,32+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H](C[C@@H](O1)N2C=C(C3=CC=CC=C32)C4=C(C(=O)N(C4=O)C)C5=CNC6=CC=CC=C65)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H31N3O9/c1-17(37)42-16-27-31(44-19(3)39)26(43-18(2)38)13-28(45-27)36-15-23(21-10-6-8-12-25(21)36)30-29(32(40)35(4)33(30)41)22-14-34-24-11-7-5-9-20(22)24/h5-12,14-15,26-28,31,34H,13,16H2,1-4H3/t26-,27-,28-,31+/m1/s1
SMILES: CC(C)C1=C(C=C2C(=C1[N+](=O)[O-])CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)NC4=CC=C(C=C4)OC
InChI: InChI=1S/C28H36N2O5/c1-17(2)24-22(29-18-8-10-19(34-5)11-9-18)16-21-20(25(24)30(32)33)12-13-23-27(21,3)14-7-15-28(23,4)26(31)35-6/h8-11,16-17,23,29H,7,12-15H2,1-6H3/t23-,27-,28-/m1/s1
SMILES: COC(=O)C1=C[C@@]2([C@@H](C[C@H]1C(C2=O)(OC)OC)C(=C)O[Si](C)(C)C)OC
InChI: InChI=1S/C18H28O7Si/c1-11(25-26(6,7)8)13-9-14-12(15(19)21-2)10-17(13,22-3)16(20)18(14,23-4)24-5/h10,13-14H,1,9H2,2-8H3/t13-,14+,17-/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4([C@@]3([C@H](C[C@@]2([C@@]1(C(=O)CO)O)C)O)F)C
InChI: InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17+,19+,20+,21-,22-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C[C@]34C=C[C@H](O3)[C@@H]([C@H]4C2=O)C(=O)OC
InChI: InChI=1S/C17H17NO4/c1-10-3-5-11(6-4-10)18-9-17-8-7-12(22-17)13(16(20)21-2)14(17)15(18)19/h3-8,12-14H,9H2,1-2H3/t12-,13-,14-,17-/m0/s1
SMILES: C1CN(CCC1N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C7=CC=CC=C67)O)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F)CC1=CC=CC=C1
InChI: InChI=1S/C48H42ClFN4O5/c49-30-12-10-29(11-13-30)48-40(45(57)54(47(48)59)51-32-16-14-31(50)15-17-32)26-39-37(43(48)36-20-21-41(55)35-9-5-4-8-34(35)36)18-19-38-42(39)46(58)53(44(38)56)33-22-24-52(25-23-33)27-28-6-2-1-3-7-28/h1-18,20-21,33,38-40,42-43,51,55H,19,22-27H2/t38-,39+,40-,42-,43-,48+/m0/s1