EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C(=O)C(C(=O)O[C@H]([C@@]3([C@H]4[C@@H](C(=NCN(N4C(=O)O3)CCCC5=C6C=CC(=CC6=NC=C5)OC)[C@@H](C[C@]2(C)OC)C)C)C)C)(C)F)C)O)N(C)C
InChI: InChI=1S/C44H64FN5O10/c1-24-22-42(6,56-12)38(59-39-35(51)33(48(9)10)20-25(2)57-39)27(4)37(52)43(7,45)40(53)58-28(5)44(8)36-26(3)34(24)47-23-49(50(36)41(54)60-44)19-13-14-29-17-18-46-32-21-30(55-11)15-16-31(29)32/h15-18,21,24-28,33,35-36,38-39,51H,13-14,19-20,22-23H2,1-12H3/t24-,25-,26-,27+,28+,33+,35-,36-,38-,39+,42+,43?,44-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@H]4CC(=C3)CO)C)O)OC(=O)O)OC(=O)C5=CC=CC=C5NC
InChI: InChI=1S/C29H35NO8/c1-14-10-19-18(22(14)32)11-16(13-31)12-20-23-27(3,4)29(23,38-26(34)35)24(15(2)28(19,20)36)37-25(33)17-8-6-7-9-21(17)30-5/h6-10,12,15,18-20,23-24,30-31,36H,11,13H2,1-5H3,(H,34,35)/t15-,18+,19-,20+,23-,24-,28+,29-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)C3=CC=C(S3)Br
InChI: InChI=1S/C16H16BrNO5S/c17-13-6-5-12(24-13)11(19)8-23-14(20)7-18-15(21)9-3-1-2-4-10(9)16(18)22/h5-6,9-10H,1-4,7-8H2/t9-,10+
SMILES: C1=CC(=CC(=C1)C2=C(C=CC(=C2)CC3=CC=C(C=C3)CC4=CC(=C(C=C4)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC(=C6)CC(=O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)CC(=O)O
InChI: InChI=1S/C48H50O16/c49-23-37-41(55)43(57)45(59)47(63-37)61-35-13-11-29(19-33(35)31-5-1-3-27(17-31)21-39(51)52)15-25-7-9-26(10-8-25)16-30-12-14-36(62-48-46(60)44(58)42(56)38(24-50)64-48)34(20-30)32-6-2-4-28(18-32)22-40(53)54/h1-14,17-20,37-38,41-50,55-60H,15-16,21-24H2,(H,51,52)(H,53,54)/t37-,38-,41-,42-,43+,44+,45+,46+,47+,48+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)COC2=CC=C(C=C2)Cl
InChI: InChI=1S/C18H23ClN2O5/c1-12-4-2-3-5-15(12)20-18(24)21-16(22)10-26-17(23)11-25-14-8-6-13(19)7-9-14/h6-9,12,15H,2-5,10-11H2,1H3,(H2,20,21,22,24)/t12-,15-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OCCC5=C(C=C(C=C5I)I)I)C)C
InChI: InChI=1S/C35H51I3O/c1-22(2)7-6-8-23(3)29-11-12-30-27-10-9-24-19-26(13-16-34(24,4)31(27)14-17-35(29,30)5)39-18-15-28-32(37)20-25(36)21-33(28)38/h9,20-23,26-27,29-31H,6-8,10-19H2,1-5H3/t23-,26+,27?,29-,30?,31?,34+,35-/m1/s1
SMILES: CC[C@@H](C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](C3=CC=CC=C3)C4=CC=C(C=C4)CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6)N
InChI: InChI=1S/C40H55N7O5S/c1-2-29(41)37(49)43-30-14-8-13-28-21-22-32(47(28)39(30)51)38(50)45-35(26-11-4-3-5-12-26)27-19-17-25(18-20-27)10-9-23-42-34(48)16-7-6-15-33-36-31(24-53-33)44-40(52)46-36/h3-5,11-12,17-20,28-33,35-36H,2,6-10,13-16,21-24,41H2,1H3,(H,42,48)(H,43,49)(H,45,50)(H2,44,46,52)/t28-,29-,30-,31-,32-,33-,35-,36-/m0/s1
SMILES: C1=CC=C(C=C1)COC(=O)C2=NN[C@@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C19H14ClN3O4/c20-12-7-4-8-13(9-12)23-17(24)14-15(18(23)25)21-22-16(14)19(26)27-10-11-5-2-1-3-6-11/h1-9,14-15,21H,10H2/t14-,15+/m0/s1
SMILES: CC1=C(C(CCC1)(C)C)CC[C@@]2([C@@](N(C(=O)O2)C3CC([NH2+]C(C3)(C)C)(C)C)(C)O)C
InChI: InChI=1S/C25H44N2O3/c1-17-11-10-13-21(2,3)19(17)12-14-24(8)25(9,29)27(20(28)30-24)18-15-22(4,5)26-23(6,7)16-18/h18,26,29H,10-16H2,1-9H3/p+1/t24-,25-/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@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CN(C)CC7=CC=CC=C7
InChI: InChI=1S/C50H53N3O6S/c1-35-20-26-45(27-21-35)60(56,57)52-46(29-37-12-6-4-7-13-37)49(55)51-31-40-16-10-17-42(28-40)43-18-11-19-44(30-43)50-58-47(33-53(3)32-38-14-8-5-9-15-38)36(2)48(59-50)41-24-22-39(34-54)23-25-41/h4-28,30,36,46-48,50,52,54H,29,31-34H2,1-3H3,(H,51,55)/t36-,46+,47+,48+,50+/m0/s1
SMILES: C/C(=C/I)/CCC[C@@]1(CCC[C@@H]([C@@H]1/C=C/CO[Si](C)(C)C(C)(C)C)OC)C
InChI: InChI=1S/C23H43IO2Si/c1-19(18-24)12-9-15-23(5)16-10-14-21(25-6)20(23)13-11-17-26-27(7,8)22(2,3)4/h11,13,18,20-21H,9-10,12,14-17H2,1-8H3/b13-11+,19-18-/t20-,21-,23+/m0/s1
SMILES: COC(=O)[C@]1([C@H]2C=CC3=CC=CC=C3N2[C@@H]([C@@H]1C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5)C#N
InChI: InChI=1S/C28H21N3O5/c1-36-27(33)28(17-29)23-16-13-18-7-5-6-10-22(18)30(23)25(26(32)20-8-3-2-4-9-20)24(28)19-11-14-21(15-12-19)31(34)35/h2-16,23-25H,1H3/t23-,24+,25+,28+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC)CO[C@@H]2[C@H]([C@H]([C@H]3[C@H](O2)CO[C@H](O3)C4=CC=CC=C4)OCC5=CC=CC=C5)OC(C)(CBr)OC
InChI: InChI=1S/C37H47BrO15/c1-21(39)47-29-27(50-35(42-5)32(49-23(3)41)31(29)48-22(2)40)19-46-36-33(53-37(4,20-38)43-6)30(44-17-24-13-9-7-10-14-24)28-26(51-36)18-45-34(52-28)25-15-11-8-12-16-25/h7-16,26-36H,17-20H2,1-6H3/t26-,27-,28-,29-,30+,31+,32-,33+,34-,35+,36+,37?/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)[C@@H]5CCCN5C(=O)C(F)(F)F)CN6CCN(CC6)C7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C43H46F3N5O7/c1-28-38(26-48-21-23-49(24-22-48)34-16-18-35(19-17-34)51(55)56)57-41(58-39(28)31-10-8-29(27-52)9-11-31)32-14-12-30(13-15-32)36-6-3-2-5-33(36)25-47-40(53)37-7-4-20-50(37)42(54)43(44,45)46/h2-3,5-6,8-19,28,37-39,41,52H,4,7,20-27H2,1H3,(H,47,53)/t28-,37+,38+,39+,41+/m1/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@@]4([C@@H]([C@H]2O1)ON([C@@H]4C(=O)O3)CC5=CC=CC=C5C=CCC6=CC=CC=C6O)C(=O)N7CCC[C@@H]7C(=O)NCCO)CCCCC
InChI: InChI=1S/C43H57N3O9/c1-3-5-11-22-42(23-12-6-4-2)53-35-34-27-43(41(51)45-25-14-20-32(45)39(49)44-24-26-47)37(40(50)52-34)46(55-38(43)36(35)54-42)28-31-17-8-7-15-29(31)18-13-19-30-16-9-10-21-33(30)48/h7-10,13,15-18,21,32,34-38,47-48H,3-6,11-12,14,19-20,22-28H2,1-2H3,(H,44,49)/t32-,34-,35+,36+,37-,38-,43-/m1/s1
SMILES: CCOC(=O)C1=C(C(=C(S1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C(=O)N)C
InChI: InChI=1S/C17H22N2O6S/c1-3-25-17(24)12-8(2)11(13(18)20)15(26-12)19-14(21)9-6-4-5-7-10(9)16(22)23/h9-10H,3-7H2,1-2H3,(H2,18,20)(H,19,21)(H,22,23)/p-1/t9-,10+/m1/s1
SMILES: CC(=CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]45C[C@@]4([C@@]3([C@@H](C[C@H]2C1(C)C)O)C)CC[C@H]5[C@@H]6C[C@@H](O[C@@H]6OC)[C@@H](C(C)(C)O)O)C)C
InChI: InChI=1S/C36H58O7/c1-20(2)16-28(38)43-27-12-13-33(7)24-11-14-35-19-36(35,34(24,8)26(37)18-25(33)31(27,3)4)15-10-22(35)21-17-23(42-30(21)41-9)29(39)32(5,6)40/h16,21-27,29-30,37,39-40H,10-15,17-19H2,1-9H3/t21-,22-,23+,24+,25-,26+,27+,29-,30-,33+,34-,35+,36+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2C3=C([C@@H]4CCCC[C@@H]4O2)SC=C3)OCC5=CC=CC=C5
InChI: InChI=1S/C25H26O3S/c1-26-23-15-18(11-12-22(23)27-16-17-7-3-2-4-8-17)24-20-13-14-29-25(20)19-9-5-6-10-21(19)28-24/h2-4,7-8,11-15,19,21,24H,5-6,9-10,16H2,1H3/t19-,21+,24-/m1/s1
SMILES: C[C@H]1[C@H](OC(O1)(C)C)[C@@H](CC(=O)OC)NCC2=CC=CC=C2
InChI: InChI=1S/C17H25NO4/c1-12-16(22-17(2,3)21-12)14(10-15(19)20-4)18-11-13-8-6-5-7-9-13/h5-9,12,14,16,18H,10-11H2,1-4H3/t12-,14+,16-/m0/s1
SMILES: C1=CC=C(C=C1)OC(=O)CC[C@@H]2[C@@H](C(=O)N2CC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C29H23N3O9/c33-24(41-20-6-2-1-3-7-20)15-14-23-26(31-27(35)21-8-4-5-9-22(21)28(31)36)29(37)30(23)16-25(34)40-17-18-10-12-19(13-11-18)32(38)39/h1-13,23,26H,14-17H2/t23-,26+/m1/s1
SMILES: COC1=CC(=CC(=C1[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)OC)O
InChI: InChI=1S/C32H25Cl2FN4O7/c1-45-23-14-20(40)15-24(46-2)25(23)26-21-12-13-36-29(43)38(18-6-4-3-5-7-18)30(44)39(36)22(21)16-31(33)27(41)37(28(42)32(26,31)34)19-10-8-17(35)9-11-19/h3-12,14-15,22,26,40H,13,16H2,1-2H3/t22-,26-,31-,32+/m1/s1
SMILES: CN(C)C(=O)C=CC1=CC=C(C=C1)CN2[C@H]3C(=O)O[C@@H]4C[C@]3([C@H](O2)[C@@H]5[C@H]4OC(O5)(C6CC6)C7CC7)C(=O)NCC8=CC(=CC=C8)C(=O)NCCO
InChI: InChI=1S/C38H44N4O9/c1-41(2)29(44)15-10-22-6-8-23(9-7-22)21-42-32-35(46)48-28-19-37(32,36(47)40-20-24-4-3-5-25(18-24)34(45)39-16-17-43)33(51-42)31-30(28)49-38(50-31,26-11-12-26)27-13-14-27/h3-10,15,18,26-28,30-33,43H,11-14,16-17,19-21H2,1-2H3,(H,39,45)(H,40,47)/t28-,30+,31+,32+,33-,37+/m1/s1
SMILES: CN1C(=O)C2(C(CN=N2)N(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C32H27N5O11/c1-35-30(41)32(37(43)44)23(17-33-34-32)36(31(35)42)26-25(48-29(40)21-15-9-4-10-16-21)24(47-28(39)20-13-7-3-8-14-20)22(46-26)18-45-27(38)19-11-5-2-6-12-19/h2-16,22-26H,17-18H2,1H3/t22-,23?,24-,25-,26-,32?/m1/s1
SMILES: CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(=O)C)C)[C@@H]5[C@H]([C@H]([C@@H](O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8.[Br-]
InChI: InChI=1S/C45H36N2O9.BrH/c1-26-35-24-47(22-21-33(35)27(2)39-38(26)34-23-32(53-28(3)48)19-20-36(34)46-39)42-41(56-45(51)31-17-11-6-12-18-31)40(55-44(50)30-15-9-5-10-16-30)37(54-42)25-52-43(49)29-13-7-4-8-14-29;/h4-24,37,40-42H,25H2,1-3H3;1H/t37-,40-,41-,42-;/m0./s1
SMILES: C[C@H]([C@H]1CCC2=CC(=O)[C@@H](C[C@]12C(=O)OC)OC(=O)C)OC
InChI: InChI=1S/C16H22O6/c1-9(20-3)12-6-5-11-7-13(18)14(22-10(2)17)8-16(11,12)15(19)21-4/h7,9,12,14H,5-6,8H2,1-4H3/t9-,12-,14-,16-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C(=C(C=C3[O-])Cl)[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H13Cl3N2O3/c19-8-4-5-11(12(20)6-8)16-10-3-1-2-9(10)15-17(22-16)14(24)7-13(21)18(15)23(25)26/h1-2,4-7,9-10,16,22,24H,3H2/p-1/t9-,10-,16+/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)C5[C@@H](C(C(=O)O5)(C)C)NC(=O)OC(C)(C)CO)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C43H55NO17/c1-20-24(57-35(51)29-31(39(6,7)36(52)58-29)44-37(53)61-38(4,5)18-45)17-43(54)33(59-34(50)23-14-12-11-13-15-23)30-41(10,25(48)16-26-42(30,19-55-26)60-22(3)47)32(49)28(56-21(2)46)27(20)40(43,8)9/h11-15,24-26,28-31,33,45,48,54H,16-19H2,1-10H3,(H,44,53)/t24-,25-,26+,28+,29?,30-,31-,33-,41+,42-,43+/m0/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)OC(=O)C(C)(C)C)OCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)O)OCC7=CC=CC=C7
InChI: InChI=1S/C57H68O13/c1-56(2,3)54(59)66-38-45-48(50(64-35-42-28-18-10-19-29-42)51(70-55(60)57(4,5)6)52(67-45)65-36-43-30-20-11-21-31-43)69-53-49(63-34-41-26-16-9-17-27-41)46(58)47(62-33-40-24-14-8-15-25-40)44(68-53)37-61-32-39-22-12-7-13-23-39/h7-31,44-53,58H,32-38H2,1-6H3/t44-,45-,46+,47+,48-,49-,50+,51-,52-,53+/m1/s1
SMILES: CC(=C)CC/C=C/COP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O
InChI: InChI=1S/C18H26N5O5PS/c1-12(2)6-4-3-5-7-26-29(25,30)27-9-14-13(24)8-15(28-14)23-11-22-16-17(19)20-10-21-18(16)23/h3,5,10-11,13-15,24H,1,4,6-9H2,2H3,(H,25,30)(H2,19,20,21)/b5-3+/t13-,14+,15+,29?/m0/s1
SMILES: CC(=C)[C@H]1CN([C@H]([C@@H]1CCOC(C)(C)C)C(OCC(C2=CC=CC=C2)Cl)O[Si](C)(C)C)C(=O)OC=C
InChI: InChI=1S/C28H44ClNO5Si/c1-10-32-27(31)30-18-23(20(2)3)22(16-17-34-28(4,5)6)25(30)26(35-36(7,8)9)33-19-24(29)21-14-12-11-13-15-21/h10-15,22-26H,1-2,16-19H2,3-9H3/t22-,23-,24?,25-,26?/m1/s1
SMILES: C[C@@H](C(=O)OC(C)C)NP(=O)(OC1C([C@@]([C@@H](O1)N2C=NC3=C2N=CN=C3N(C)NS(=O)(=O)C)(C)O)O)OC4=CC=C(C=C4)Cl
InChI: InChI=1S/C24H33ClN7O10PS/c1-13(2)39-21(34)14(3)29-43(36,41-16-9-7-15(25)8-10-16)42-22-18(33)24(4,35)23(40-22)32-12-28-17-19(26-11-27-20(17)32)31(5)30-44(6,37)38/h7-14,18,22-23,30,33,35H,1-6H3,(H,29,36)/t14-,18?,22?,23+,24+,43?/m0/s1
SMILES: C[C@H](CCC(=O)OC(=O)C1=C(C=CC=C1Cl)Cl)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)OC(=O)C)C)OC(=O)C(F)(F)F)O)C
InChI: InChI=1S/C35H43Cl2F3O8/c1-17(8-11-28(43)48-31(44)30-24(36)6-5-7-25(30)37)21-9-10-22-29-23(16-27(42)34(21,22)4)33(3)13-12-20(46-18(2)41)14-19(33)15-26(29)47-32(45)35(38,39)40/h5-7,17,19-23,26-27,29,42H,8-16H2,1-4H3/t17-,19+,20-,21-,22+,23+,26-,27+,29+,33+,34-/m1/s1
SMILES: CC(C)[C@]1([C@@H]2[C@@H]3[C@@H](C=C([C@@]3([C@@H]([C@H]1OC2=O)O)C)CO)O)O
InChI: InChI=1S/C15H22O6/c1-6(2)15(20)10-9-8(17)4-7(5-16)14(9,3)11(18)12(15)21-13(10)19/h4,6,8-12,16-18,20H,5H2,1-3H3/t8-,9+,10-,11-,12-,14+,15-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=CNC4=CC=CC=C43
InChI: InChI=1S/C21H23N3O5/c1-13-6-4-5-9-21(13)19(27)24(20(28)23-21)11-18(26)29-12-17(25)15-10-22-16-8-3-2-7-14(15)16/h2-3,7-8,10,13,22H,4-6,9,11-12H2,1H3,(H,23,28)/t13-,21+/m0/s1
SMILES: CC(C)(C)C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C(C)(C)C)Br)C(=O)OC)OC(=O)C(C)(C)C
InChI: InChI=1S/C22H35BrO9/c1-20(2,3)17(25)30-11-12(31-18(26)21(4,5)6)14(16(24)28-10)29-15(23)13(11)32-19(27)22(7,8)9/h11-15H,1-10H3/t11-,12-,13+,14-,15-/m0/s1
SMILES: CC([C@H]1N([C@@H]2[C@H](O1)[C@H]3CC[C@@]2(C3(C)C)C)C(=O)OC(C)(C)C)O
InChI: InChI=1S/C18H31NO4/c1-10(20)14-19(15(21)23-16(2,3)4)13-12(22-14)11-8-9-18(13,7)17(11,5)6/h10-14,20H,8-9H2,1-7H3/t10?,11-,12-,13-,14+,18+/m1/s1
SMILES: C[C@@]1(C[C@H]([C@H]2[C@@H]1ON=C2C3=CC=C(C=C3)Cl)O)O
InChI: InChI=1S/C13H14ClNO3/c1-13(17)6-9(16)10-11(15-18-12(10)13)7-2-4-8(14)5-3-7/h2-5,9-10,12,16-17H,6H2,1H3/t9-,10-,12+,13+/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NCC#C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O
InChI: InChI=1S/C16H20N2O5/c1-3-8-17-13(19)9-23-16(22)10(2)18-14(20)11-6-4-5-7-12(11)15(18)21/h1,10-12H,4-9H2,2H3,(H,17,19)/t10-,11-,12+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)COC(O7)C8=CC=CC=C8)O)O
InChI: InChI=1S/C34H34O13/c1-39-22-8-16(9-23(40-2)27(22)35)25-17-10-20-21(44-14-43-20)11-18(17)30(19-12-41-32(38)26(19)25)46-34-29(37)28(36)31-24(45-34)13-42-33(47-31)15-6-4-3-5-7-15/h3-11,19,24-26,28-31,33-37H,12-14H2,1-2H3/t19-,24+,25+,26-,28+,29+,30-,31+,33?,34-/m0/s1
SMILES: C1[C@H]([C@@H]([C@H](N1C[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)CO)O)O
InChI: InChI=1S/C11H21NO9/c13-3-4-7(16)5(14)1-12(4)2-6(15)8(17)9(18)10(19)11(20)21/h4-10,13-19H,1-3H2,(H,20,21)/t4-,5-,6+,7-,8-,9+,10+/m1/s1
SMILES: C[C@H](COCC#CC(C(F)(F)F)(C(F)(F)F)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=O)O)O)C
InChI: InChI=1S/C27H34F6O5/c1-16(15-38-12-4-11-25(37,26(28,29)30)27(31,32)33)20-8-9-21-17(5-3-10-24(20,21)2)6-7-18-13-19(34)14-22(35)23(18)36/h6-7,16,19-22,34-35,37H,3,5,8-10,12-15H2,1-2H3/b17-6+,18-7-/t16-,19-,20-,21+,22+,24-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C2=NN(C(=O)C=C2OC)C3=CC=CC=C3C
InChI: InChI=1S/C20H25N3O3/c1-13-8-4-6-10-15(13)21-20(25)19-17(26-3)12-18(24)23(22-19)16-11-7-5-9-14(16)2/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,21,25)/t13-,15+/m1/s1
SMILES: C[C@@H]1CNC(=O)[C@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
InChI: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22-,26-,27+,29+,31-,32-/m1/s1
SMILES: CC1=CC2=C(C=C1)OP(=O)(OC2)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)F)OP5(=O)OCC6=C(O5)C=CC(=C6)C
InChI: InChI=1S/C25H25FN2O11P2/c1-14-3-5-19-16(7-14)11-33-40(31,37-19)35-13-22-21(9-23(36-22)28-10-18(26)24(29)27-25(28)30)39-41(32)34-12-17-8-15(2)4-6-20(17)38-41/h3-8,10,21-23H,9,11-13H2,1-2H3,(H,27,29,30)/t21-,22+,23+,40?,41?/m0/s1
SMILES: CC(=O)OC1=C[C@]2([C@@H](C[C@H]([C@@]3([C@@H]2C(=O)C[C@](C3=O)(C)C=C)O)O)C(C1=O)(C)C)C
InChI: InChI=1S/C22H28O7/c1-7-20(5)9-12(24)16-21(6)10-13(29-11(2)23)17(26)19(3,4)14(21)8-15(25)22(16,28)18(20)27/h7,10,14-16,25,28H,1,8-9H2,2-6H3/t14-,15+,16+,20-,21-,22-/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=C(C(=O)NC5=O)C#N)O
InChI: InChI=1S/C31H29N3O7/c1-38-24-12-8-22(9-13-24)31(21-6-4-3-5-7-21,23-10-14-25(39-2)15-11-23)40-19-27-26(35)16-28(41-27)34-18-20(17-32)29(36)33-30(34)37/h3-15,18,26-28,35H,16,19H2,1-2H3,(H,33,36,37)/t26-,27+,28+/m0/s1
SMILES: COC1=C2[C@H]3[C@H]4C[C@@H]([C@H]3C2=C(C5=CC=CC=C51)OC)[C@H]6[C@@H]4[C@]7(C(=C([C@@]6(C7(OC)OC)Cl)Cl)Cl)Cl
InChI: InChI=1S/C26H24Cl4O4/c1-31-20-10-7-5-6-8-11(10)21(32-2)17-15-13-9-12(14(15)16(17)20)18-19(13)25(30)23(28)22(27)24(18,29)26(25,33-3)34-4/h5-8,12-15,18-19H,9H2,1-4H3/t12-,13+,14+,15-,18-,19+,24-,25+
SMILES: COC(=O)[C@]1([C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[C@@](C(=O)O1)(C4=CC=CC=C4)Br)Br
InChI: InChI=1S/C18H18Br2O4/c1-23-16(22)18(20)14-11-8-7-10(9-11)13(14)17(19,15(21)24-18)12-5-3-2-4-6-12/h2-6,10-11,13-14H,7-9H2,1H3/t10-,11+,13+,14-,17+,18+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](/C=C/CCC(CC(=O)O[C@H]1/C(=C/[C@H](C)C(=O)C[C@@H](CC2CC(=O)NC(=O)C2)O)/C)SC[C@H](C(=O)O)N)OC)O
InChI: InChI=1S/C30H46N2O10S/c1-16(23(34)13-20(33)10-19-11-25(35)32-26(36)12-19)9-17(2)29-18(3)28(38)24(41-4)8-6-5-7-21(14-27(37)42-29)43-15-22(31)30(39)40/h6,8-9,16,18-22,24,28-29,33,38H,5,7,10-15,31H2,1-4H3,(H,39,40)(H,32,35,36)/b8-6+,17-9+/t16-,18-,20+,21?,22+,24-,28-,29-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)[C@H]4CCN(C4)C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C19H29N3O4S/c1-9-15-14(10(2)23)18(24)22(15)16(19(25)26)17(9)27-12-6-13(20-7-12)11-4-5-21(3)8-11/h9-15,20,23H,4-8H2,1-3H3,(H,25,26)/t9-,10-,11+,12+,13+,14-,15-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2C[C@@](C=C1C3=CC=C(C=C3)F)(C(=O)O2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H39FO4Si2/c1-23(2,3)31(7,8)29-21-19(17-11-13-18(26)14-12-17)15-25(16-20(21)28-22(25)27)30-32(9,10)24(4,5)6/h11-15,20-21H,16H2,1-10H3/t20-,21-,25+/m1/s1
SMILES: CN1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.CN1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.C(C(C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/2C10H17NO2.C4H6O6/c2*1-11-8-5-3-2-4-7(8)6-9(11)10(12)13;5-1(3(7)8)2(6)4(9)10/h2*7-9H,2-6H2,1H3,(H,12,13);1-2,5-6H,(H,7,8)(H,9,10)/t2*7-,8-,9-;/m00./s1
SMILES: COC(=O)CCC1=C(C=C(C=C1)F)C[C@H]2[C@H]3CC[C@H]([C@H]2CO)O3
InChI: InChI=1S/C18H23FO4/c1-22-18(21)7-3-11-2-4-13(19)8-12(11)9-14-15(10-20)17-6-5-16(14)23-17/h2,4,8,14-17,20H,3,5-7,9-10H2,1H3/t14-,15+,16-,17-/m1/s1
SMILES: CC1=CC(=CC=C1)[C@@H]2[C@H](C(=C)NC3=NC(=NN23)CCCO)C(=O)N
InChI: InChI=1S/C17H21N5O2/c1-10-5-3-6-12(9-10)15-14(16(18)24)11(2)19-17-20-13(7-4-8-23)21-22(15)17/h3,5-6,9,14-15,23H,2,4,7-8H2,1H3,(H2,18,24)(H,19,20,21)/t14-,15+/m0/s1
SMILES: C=C1CC[C@@H]([C@H]2[C@@H]1C([C@@H]3CCC=C(C3)COC2)O)O
InChI: InChI=1S/C16H24O3/c1-10-5-6-14(17)13-9-19-8-11-3-2-4-12(7-11)16(18)15(10)13/h3,12-18H,1-2,4-9H2/t12-,13+,14+,15-,16?/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H](NC(=O)NC2=C)C3=CC=CC=C3OC(F)F
InChI: InChI=1S/C20H19F2N3O4/c1-11-16(18(26)24-12-7-9-13(28-2)10-8-12)17(25-20(27)23-11)14-5-3-4-6-15(14)29-19(21)22/h3-10,16-17,19H,1H2,2H3,(H,24,26)(H2,23,25,27)/t16-,17-/m0/s1
SMILES: C/C=C(/C)\C(=O)O[C@@H]1C[C@@]([C@@H]2[C@@H](C=C([C@@]2([C@@H]3[C@@H]1C(=C)C(=O)O3)O)C)OC(=O)C)(CCl)O
InChI: InChI=1S/C22H27ClO8/c1-6-10(2)19(25)30-15-8-21(27,9-23)17-14(29-13(5)24)7-11(3)22(17,28)18-16(15)12(4)20(26)31-18/h6-7,14-18,27-28H,4,8-9H2,1-3,5H3/b10-6-/t14-,15-,16-,17+,18+,21+,22-/m1/s1
SMILES: CC(=CCC/C(=C/CN1[C@H]([C@@H](OC1=O)C2=CC=CC=C2)C3=CC=CC=C3)/C)C
InChI: InChI=1S/C25H29NO2/c1-19(2)11-10-12-20(3)17-18-26-23(21-13-6-4-7-14-21)24(28-25(26)27)22-15-8-5-9-16-22/h4-9,11,13-17,23-24H,10,12,18H2,1-3H3/b20-17+/t23-,24-/m0/s1
SMILES: CC(=O)OCO[C@H]1[C@@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C29H26O10/c1-19(30)35-18-36-29-25(39-28(33)22-15-9-4-10-16-22)24(38-27(32)21-13-7-3-8-14-21)23(37-29)17-34-26(31)20-11-5-2-6-12-20/h2-16,23-25,29H,17-18H2,1H3/t23-,24-,25-,29-/m1/s1
SMILES: CC[C@]1([C@@](N(C(=O)O1)CCC(=O)NC2=CC(=CC=C2)F)(C)O)C
InChI: InChI=1S/C16H21FN2O4/c1-4-15(2)16(3,22)19(14(21)23-15)9-8-13(20)18-12-7-5-6-11(17)10-12/h5-7,10,22H,4,8-9H2,1-3H3,(H,18,20)/t15-,16+/m0/s1
SMILES: C1CC[NH+](CC1)[C@H]2[C@H](C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4Cl
InChI: InChI=1S/C20H20BrClN2O/c21-13-8-9-17-15(12-13)18(14-6-2-3-7-16(14)22)19(20(25)23-17)24-10-4-1-5-11-24/h2-3,6-9,12,18-19H,1,4-5,10-11H2,(H,23,25)/p+1/t18-,19-/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)OC
InChI: InChI=1S/C21H23NO4/c1-13-9-10-18(25-3)17(11-13)22-20(23)19(15-7-5-4-6-8-15)26-21(24)16-12-14(16)2/h4-11,14,16,19H,12H2,1-3H3,(H,22,23)/t14-,16-,19-/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1CN3C[C@H]4CC=C[C@H]4C5=C(C=CC2=C53)Cl
InChI: InChI=1S/C18H18ClN/c19-16-8-7-15-13-5-1-3-11(13)9-20-10-12-4-2-6-14(12)17(16)18(15)20/h1-2,5-8,11-14H,3-4,9-10H2/t11-,12-,13-,14-/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@](C4)(CC=C)O[Si](C)(C)C)C)O[Si](C)(C)C)O[Si](C)(C)C)C
InChI: InChI=1S/C37H70O5Si3/c1-15-20-37(42-45(12,13)14)22-21-35(3)27(25-37)23-31(40-43(6,7)8)34-29-18-17-28(26(2)16-19-33(38)39-5)36(29,4)32(24-30(34)35)41-44(9,10)11/h15,26-32,34H,1,16-25H2,2-14H3/t26-,27-,28-,29+,30+,31-,32+,34+,35+,36-,37-/m1/s1
SMILES: C[C@H]1C([C@](C[C@H]([C@@]2(C(CCC13C2C(=O)CC3)C)C)OC(=O)CSC4CCN(CC4OC(=O)C)C(=O)C(C(C)C)NC(=O)OC(C)(C)C)(C)C=C)O
InChI: InChI=1S/C39H62N2O9S/c1-12-37(10)19-29(38(11)23(4)13-16-39(24(5)33(37)45)17-14-26(43)32(38)39)49-30(44)21-51-28-15-18-41(20-27(28)48-25(6)42)34(46)31(22(2)3)40-35(47)50-36(7,8)9/h12,22-24,27-29,31-33,45H,1,13-21H2,2-11H3,(H,40,47)/t23?,24-,27?,28?,29+,31?,32?,33?,37+,38-,39?/m0/s1
SMILES: CC1(O[C@H]2[C@H]3[C@@H]([C@@H]([C@@H]([C@H]2O1)O)OC)C4=CC5=C(C(=C4C(=O)N3)O)OCO5)C
InChI: InChI=1S/C18H21NO8/c1-18(2)26-15-10-8(14(23-3)12(21)16(15)27-18)6-4-7-13(25-5-24-7)11(20)9(6)17(22)19-10/h4,8,10,12,14-16,20-21H,5H2,1-3H3,(H,19,22)/t8-,10+,12-,14-,15-,16+/m0/s1
SMILES: CC(C)CCOC1=CC=C(C=C1)CO[C@@H]2[C@@H]3[C@H](O[C@H]2[C@H](CO)O)OC(O3)(C)C
InChI: InChI=1S/C21H32O7/c1-13(2)9-10-24-15-7-5-14(6-8-15)12-25-18-17(16(23)11-22)26-20-19(18)27-21(3,4)28-20/h5-8,13,16-20,22-23H,9-12H2,1-4H3/t16-,17-,18-,19+,20+/m0/s1
SMILES: CN([C@H]1C[C@]23CC[C@H]([C@H](C2)[C@@H]([C@@H](N3C1)CC4=CC=C(C=C4)OC)O)O)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C28H36N2O5/c1-29(27(33)35-18-20-6-4-3-5-7-20)21-15-28-13-12-25(31)23(16-28)26(32)24(30(28)17-21)14-19-8-10-22(34-2)11-9-19/h3-11,21,23-26,31-32H,12-18H2,1-2H3/t21-,23-,24-,25+,26-,28+/m0/s1
SMILES: CC(C)[C@H]1C(OC(=O)N1C(=O)[C@@H](CC2=CC=CC=C2)[C@H]3C(=O)C=CC(=CCCO[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC)CO)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O3)(C)C
InChI: InChI=1S/C46H55NO11/c1-30(2)42-46(3,4)58-45(51)47(42)43(50)35(26-31-16-9-6-10-17-31)38-36(49)24-23-34(56-38)22-15-25-53-41-40(55-29-33-20-13-8-14-21-33)39(37(27-48)57-44(41)52-5)54-28-32-18-11-7-12-19-32/h6-14,16-24,30,35,37-42,44,48H,15,25-29H2,1-5H3/t35-,37+,38-,39+,40-,41-,42-,44-/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@@H]4CC(CC5)(C)C)CO)O)C)C)(C)C)O
InChI: InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22-,23+,24-,27+,28-,29-,30-/m1/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=C(C=C(C=C3)Br)Cl
InChI: InChI=1S/C14H11BrClNO2/c15-8-5-6-12(11(16)7-8)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-2,5-7,9-10H,3-4H2/t9-,10-/m1/s1
SMILES: CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCC(CC6)C)OO5)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C38H61NO9/c1-8-19-39-33(42)12-9-24(3)28-10-11-29-34-30(21-32(36(28,29)7)44-26(5)41)35(6)17-18-38(22-27(35)20-31(34)43-25(4)40)47-45-37(46-48-38)15-13-23(2)14-16-37/h23-24,27-32,34H,8-22H2,1-7H3,(H,39,42)/t23?,24-,27-,28-,29+,30+,31-,32+,34+,35+,36-,37?,38?/m1/s1
SMILES: COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H31N3O4/c1-30-18-8-6-17(7-9-18)16-24-12-14-25(15-13-24)21(27)10-11-26-22(28)19-4-2-3-5-20(19)23(26)29/h6-9,19-20H,2-5,10-16H2,1H3/t19-,20+
SMILES: C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@@H](CC[C@@]4([C@H]3C[C@@H]([C@]12C)O)C)O
InChI: InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1
SMILES: CN(C)[C@@]12CC3=C([C@@H]1C(=O)C(=C2C4=CC=CC=C4)C5=CC=CC=C5)CCCCC3
InChI: InChI=1S/C27H29NO/c1-28(2)27-18-21-16-10-5-11-17-22(21)25(27)26(29)23(19-12-6-3-7-13-19)24(27)20-14-8-4-9-15-20/h3-4,6-9,12-15,25H,5,10-11,16-18H2,1-2H3/t25-,27-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@H]([C@@](NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3
InChI: InChI=1S/C18H17F3N2O5S2/c1-27-9-6-8(7-10(28-2)14(9)24)13-12(15(25)11-4-3-5-30-11)17(26,18(19,20)21)23-16(29)22-13/h3-7,12-13,24,26H,1-2H3,(H2,22,23,29)/t12-,13-,17-/m0/s1
SMILES: COC1=CC(=C(C(=C1)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O
InChI: InChI=1S/C32H22BrF6NO7/c1-46-15-8-21(41)27(23(9-15)47-2)26-16-3-4-17-24(18(16)10-19-25(26)22(42)11-20(33)28(19)43)30(45)40(29(17)44)14-6-12(31(34,35)36)5-13(7-14)32(37,38)39/h3,5-9,11,17-18,24,26,41H,4,10H2,1-2H3/t17-,18+,24-,26-/m0/s1
SMILES: C[C@]12C=C[C@]3(O1)[C@@H]([C@H]2C(=O)NC)C(=O)N([C@H]3C(=O)NCC4=CC=C(C=C4)OC)CC#C
InChI: InChI=1S/C23H25N3O5/c1-5-12-26-18(20(28)25-13-14-6-8-15(30-4)9-7-14)23-11-10-22(2,31-23)16(19(27)24-3)17(23)21(26)29/h1,6-11,16-18H,12-13H2,2-4H3,(H,24,27)(H,25,28)/t16-,17-,18-,22+,23-/m0/s1