EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC3C(O3)/C=C/C(=O)O1)O)O)O)C(=O)N)O[C@H]4[C@H]([C@H]([C@@H](C(O4)C)O)N)O
InChI: InChI=1S/C33H48N2O12/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(40)28(34)29(39)19(2)44-32)15-25-27(31(35)41)22(37)17-33(42,47-25)16-20(36)14-24-23(46-24)12-13-26(38)43-18/h3-9,11-13,18-25,27-30,32,36-37,39-40,42H,10,14-17,34H2,1-2H3,(H2,35,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18?,19?,20?,21?,22?,23?,24?,25?,27?,28-,29+,30-,32-,33?/m0/s1
SMILES: [B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.COC(=O)[C@H]1CCC=C2[C@H]1O[CH][CH][CH]2.[C-]#[O+].[C-]#[O+].[Mo]
InChI: InChI=1S/C11H13O3.C9H9BN6.2CO.Mo/c1-13-11(12)9-6-2-4-8-5-3-7-14-10(8)9;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-2;/h3-5,7,9-10H,2,6H2,1H3;1-9H;;;/q;-1;;;/t9-,10+;;;;/m0..../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)N(CC6=CC=CC7=CC=CC=C76)C(=O)C=CC8=CC=C(C=C8)[N+](=O)[O-])OCC=C)C
InChI: InChI=1S/C56H61N3O9/c1-5-31-66-56-52(58(36-42-16-12-15-40-13-6-7-17-46(40)42)53(62)28-22-39-20-23-43(24-21-39)59(63)64)35-50(57-65-4)48-33-41(14-8-10-29-60)47(18-9-11-30-61)54(55(48)56)49-34-45(26-27-51(49)68-56)67-44-25-19-37(2)38(3)32-44/h5-7,12-13,15-17,19-28,32-34,41,47,52,54-55,60-61H,1,8-11,14,18,29-31,35-36H2,2-4H3/t41-,47+,52-,54+,55+,56+/m0/s1
SMILES: CC(=O)OC[C@@H]([C@H](C1=CC(=C(C=C1)OC(=O)C)OC)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC3=CC=CC=C3OC
InChI: InChI=1S/C34H42O16/c1-18(35)43-16-28(49-25-12-10-9-11-24(25)40-6)30(23-13-14-26(45-19(2)36)27(15-23)41-7)44-17-29-31(46-20(3)37)32(47-21(4)38)33(48-22(5)39)34(42-8)50-29/h9-15,28-34H,16-17H2,1-8H3/t28-,29+,30-,31-,32-,33+,34-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]([C@@H]([C@H]2[C@H](OC(O2)(C)C)COC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C31H51NO9Si/c1-28(2,3)40-27(34)32-23(25(22-19-36-30(7,8)37-22)41-42(11,12)29(4,5)6)24-21(38-31(9,10)39-24)18-35-26(33)20-16-14-13-15-17-20/h13-17,21-25H,18-19H2,1-12H3,(H,32,34)/t21-,22-,23-,24-,25-/m1/s1
SMILES: CCOC(=O)/C=C/1\[C@@H]2CCN([C@H]1[C@@H](C[C@H]2C(=O)NCC3=CC=C(C=C3)OC)CO)C(=O)OC(C)(C)C
InChI: InChI=1S/C27H38N2O7/c1-6-35-23(31)14-21-20-11-12-29(26(33)36-27(2,3)4)24(21)18(16-30)13-22(20)25(32)28-15-17-7-9-19(34-5)10-8-17/h7-10,14,18,20,22,24,30H,6,11-13,15-16H2,1-5H3,(H,28,32)/b21-14+/t18-,20-,22+,24-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C=C([C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O[Si](C)(C)C
InChI: InChI=1S/C36H50O5Si2/c1-36(2,3)43(7,8)41-32-24-31(40-42(4,5)6)33(37-25-28-18-12-9-13-19-28)35(39-27-30-22-16-11-17-23-30)34(32)38-26-29-20-14-10-15-21-29/h9-24,32-35H,25-27H2,1-8H3/t32-,33+,34-,35-/m0/s1
SMILES: CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C16H19N3O5S2/c1-18(2)15(20)6-25-16-17-11-7-26(21,22)8-12(11)19(16)10-3-4-13-14(5-10)24-9-23-13/h3-5,11-12H,6-9H2,1-2H3/t11-,12+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@@H]2[C@H]([C@@H]([NH2+][C@H]2C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4
InChI: InChI=1S/C26H25NO3/c1-17-13-15-20(16-14-17)25(28)22-21(18-9-5-3-6-10-18)24(26(29)30-2)27-23(22)19-11-7-4-8-12-19/h3-16,21-24,27H,1-2H3/p+1/t21-,22-,23+,24-/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCC5=CC=CC=C5F)CCCCO)CCCCO)OCC=C)N(CCOCCO)C(=O)C6CC6
InChI: InChI=1S/C44H59FN2O9/c1-3-23-54-44-40(47(19-24-52-25-22-50)43(51)30-15-16-30)28-38(46-55-4-2)35-26-31(11-7-9-20-48)34(13-8-10-21-49)41(42(35)44)36-27-33(17-18-39(36)56-44)53-29-32-12-5-6-14-37(32)45/h3,5-6,12,14,17-18,26-27,30-31,34,40-42,48-50H,1,4,7-11,13,15-16,19-25,28-29H2,2H3/t31-,34+,40-,41+,42+,44+/m0/s1
SMILES: C1CN(C[C@H]2[C@H]1C(=O)NC2)CC3=CN(C4=CN=C(C=C43)C(=O)NO)CC5=C(C=C(C=C5)F)F
InChI: InChI=1S/C23H23F2N5O3/c24-16-2-1-13(19(25)5-16)11-30-12-15(18-6-20(23(32)28-33)26-8-21(18)30)10-29-4-3-17-14(9-29)7-27-22(17)31/h1-2,5-6,8,12,14,17,33H,3-4,7,9-11H2,(H,27,31)(H,28,32)/t14-,17-/m0/s1
SMILES: C1CN(CCC1N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC=CC=C6OCCO)Cl)C7=CC=C(C=C7)F)Cl)CC8=CC=CC=C8
InChI: InChI=1S/C40H38Cl2FN3O6/c41-39-22-31-28(14-15-30-33(31)36(49)45(35(30)48)27-16-18-44(19-17-27)23-24-6-2-1-3-7-24)34(29-8-4-5-9-32(29)52-21-20-47)40(39,42)38(51)46(37(39)50)26-12-10-25(43)11-13-26/h1-14,27,30-31,33-34,47H,15-23H2/t30-,31+,33-,34+,39+,40-/m0/s1
SMILES: CCOC(=O)[C@@H]1CC2=C(C[C@@H]1C(=O)OCC)C3=CC=CC4=C5C[C@@H]([C@@H](CC5=C6C=CC=C2C6=C43)C(=O)OCC)C(=O)OCC
InChI: InChI=1S/C36H38O8/c1-5-41-33(37)27-15-23-19-11-9-13-21-25-17-29(35(39)43-7-3)30(36(40)44-8-4)18-26(25)22-14-10-12-20(32(22)31(19)21)24(23)16-28(27)34(38)42-6-2/h9-14,27-30H,5-8,15-18H2,1-4H3/t27-,28+,29-,30+
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CO/N=C\C2=CC=C(C=C2)C(=O)OC
InChI: InChI=1S/C19H26N2O4/c1-13-5-4-6-17(14(13)2)21-18(22)12-25-20-11-15-7-9-16(10-8-15)19(23)24-3/h7-11,13-14,17H,4-6,12H2,1-3H3,(H,21,22)/b20-11-/t13-,14-,17+/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)CCOC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C
InChI: InChI=1S/C23H24O7/c1-23(2)29-19-18(28-21(25)16-11-7-4-8-12-16)17(27-22(19)30-23)13-14-26-20(24)15-9-5-3-6-10-15/h3-12,17-19,22H,13-14H2,1-2H3/t17-,18-,19-,22-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)N(C)CC(=O)NC)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O
InChI: InChI=1S/C17H23N3O6/c1-10(17(25)26-9-14(22)19(3)8-13(21)18-2)20-15(23)11-6-4-5-7-12(11)16(20)24/h4-5,10-12H,6-9H2,1-3H3,(H,18,21)/t10-,11+,12+/m0/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@@H](C2)OC(=O)N3C4=CC=CC=C4NC3=O
InChI: InChI=1S/C15H17N3O3/c1-17-9-6-7-12(17)13(8-9)21-15(20)18-11-5-3-2-4-10(11)16-14(18)19/h2-5,9,12-13H,6-8H2,1H3,(H,16,19)/t9-,12+,13+/m0/s1
SMILES: CN(CC1=CC=CC=C1)CC2=CN(N=N2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NCC5=CC(=CC=C5)C#N
InChI: InChI=1S/C25H28N6O2/c1-30(13-18-6-3-2-4-7-18)14-21-15-31(29-28-21)23-17-33-24-22(16-32-25(23)24)27-12-20-9-5-8-19(10-20)11-26/h2-10,15,22-25,27H,12-14,16-17H2,1H3/t22-,23-,24+,25+/m0/s1
SMILES: C1=CC=C2C3[C@H]([C@H](C(C2=C1)C4=CC=CC=C34)C(=O)NC5=CC=C(C=C5)Cl)C(=O)O
InChI: InChI=1S/C24H18ClNO3/c25-13-9-11-14(12-10-13)26-23(27)21-19-15-5-1-3-7-17(15)20(22(21)24(28)29)18-8-4-2-6-16(18)19/h1-12,19-22H,(H,26,27)(H,28,29)/t19?,20?,21-,22+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12+,13-,14?/m1/s1
SMILES: C[C@@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C
InChI: InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22-,23-,24-,25-,26-,27+/m0/s1
SMILES: COCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@H]2S1)CC3=CC=CC=C3Cl
InChI: InChI=1S/C15H17ClN2O4S2/c1-22-7-14(19)17-15-18(6-10-4-2-3-5-11(10)16)12-8-24(20,21)9-13(12)23-15/h2-5,12-13H,6-9H2,1H3/t12-,13-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC(C2=O)[N+]4(CCOCC4)C)CC[C@@H]5[C@@]3(CC([C@H](C5)O)[N+]6(CCOCC6)C)C
InChI: InChI=1S/C29H50N2O4/c1-28-8-7-22-21(23(28)18-24(27(28)33)30(3)9-13-34-14-10-30)6-5-20-17-26(32)25(19-29(20,22)2)31(4)11-15-35-16-12-31/h20-26,32H,5-19H2,1-4H3/q+2/t20-,21+,22-,23-,24?,25?,26-,28-,29-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=CC(=C2)OC)OC
InChI: InChI=1S/C19H27NO5/c1-12-6-5-7-17(13(12)2)20-18(21)11-25-19(22)14-8-15(23-3)10-16(9-14)24-4/h8-10,12-13,17H,5-7,11H2,1-4H3,(H,20,21)/t12-,13+,17-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H](C2(C(=O)OC)C(=O)OC)/C=C/C3=CC=CC=C3
InChI: InChI=1S/C22H22O4/c1-15-9-12-17(13-10-15)19-18(14-11-16-7-5-4-6-8-16)22(19,20(23)25-2)21(24)26-3/h4-14,18-19H,1-3H3/b14-11+/t18-,19-/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)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)C5CC5
InChI: InChI=1S/C36H50N2O7/c1-5-19-43-26-15-16-31-29(22-26)33-27(12-8-10-18-40)25(11-7-9-17-39)21-28-30(37-42-4)23-32(38(3)35(41)24-13-14-24)36(45-31,34(28)33)44-20-6-2/h5-6,15-16,21-22,24-25,27,32-34,39-40H,1-2,7-14,17-20,23H2,3-4H3/t25-,27+,32-,33+,34+,36+/m0/s1
SMILES: CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC=C=CCCC(=O)OC)O)OC2CCCCO2)OC3CCCCO3
InChI: InChI=1S/C33H54O7/c1-5-6-21-33(2,3)29(40-32-18-12-14-23-38-32)20-19-26-25(15-9-7-8-10-16-30(35)36-4)27(34)24-28(26)39-31-17-11-13-22-37-31/h8-9,19-20,25-29,31-32,34H,5-6,10-18,21-24H2,1-4H3/b20-19+/t7?,25-,26-,27+,28-,29-,31?,32?/m1/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5=C6C=CC=CC6=CC7=CC=CC=C75
InChI: InChI=1S/C31H21BrN2O3/c32-21-14-16-22(17-15-21)33-30(35)27-28(34(37-29(27)31(33)36)23-10-2-1-3-11-23)26-24-12-6-4-8-19(24)18-20-9-5-7-13-25(20)26/h1-18,27-29H/t27-,28+,29+/m0/s1
SMILES: CCOC(=O)C1(CCCC1)C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=CC=C(C=C4)C5=CC=CC=C5)O
InChI: InChI=1S/C30H32O4/c1-2-33-29(32)30(16-6-7-17-30)25-14-15-26-27(19-25)34-20-24(28(26)31)18-21-10-12-23(13-11-21)22-8-4-3-5-9-22/h3-5,8-15,19,24,28,31H,2,6-7,16-18,20H2,1H3/t24-,28+/m0/s1
SMILES: CCCCCCC/C=C/[C@@H]1C(=C[C@@H]2[C@H]3C[C@H](CC3=CC(=O)[C@H]2O1)O)C
InChI: InChI=1S/C22H32O3/c1-3-4-5-6-7-8-9-10-21-15(2)11-19-18-14-17(23)12-16(18)13-20(24)22(19)25-21/h9-11,13,17-19,21-23H,3-8,12,14H2,1-2H3/b10-9+/t17-,18-,19+,21+,22-/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC=C3C=C4CCC5[C@](O5)(CC[C@@H]6[C@@H]4CC6(C)C)C)C(=O)N(C)[C@H](CC7=CC=CC=C7)C(=O)NCCO)CCCCC
InChI: InChI=1S/C52H72N2O8/c1-7-9-16-25-52(26-17-10-8-2)60-44-33-38(48(57)54(6)42(47(56)53-28-29-55)30-35-18-12-11-13-19-35)32-43(46(44)62-52)59-49(58)39-21-15-14-20-36(39)31-37-22-23-45-51(5,61-45)27-24-41-40(37)34-50(41,3)4/h11-15,18-21,31,33,40-46,55H,7-10,16-17,22-30,32,34H2,1-6H3,(H,53,56)/t40-,41-,42-,43-,44-,45?,46+,51-/m1/s1
SMILES: COCC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C27H31Cl2IN2O8/c1-38-14-24(35)32(12-15-3-4-18(28)19(29)7-15)21-10-17(27(37)31-5-6-33)11-22(25(21)36)40-26-20(30)8-16(13-34)9-23(26)39-2/h3-4,7-9,11,21-22,25,33-34,36H,5-6,10,12-14H2,1-2H3,(H,31,37)/t21-,22+,25+/m1/s1
SMILES: COC1=C(C=CC(=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)NC8=CC=CC=C8
InChI: InChI=1S/C39H26Cl2F5N3O6/c1-55-25-15-20(50)11-12-22(25)27-21-13-14-23-26(35(52)48(34(23)51)19-9-7-18(8-10-19)47-17-5-3-2-4-6-17)24(21)16-38(40)36(53)49(37(54)39(27,38)41)33-31(45)29(43)28(42)30(44)32(33)46/h2-13,15,23-24,26-27,47,50H,14,16H2,1H3/t23-,24+,26-,27+,38+,39-/m0/s1
SMILES: C[C@]1([C@H]2CCC[C@H]2C3=C(O1)C=CC(=C3)O)C4=CC=C(C=C4)O
InChI: InChI=1S/C19H20O3/c1-19(12-5-7-13(20)8-6-12)17-4-2-3-15(17)16-11-14(21)9-10-18(16)22-19/h5-11,15,17,20-21H,2-4H2,1H3/t15-,17-,19+/m0/s1
SMILES: CC(=O)OC(C#C)[C@]12CCC3(CC1=CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@H]5C6(OCCO6)C)C)OCCO3
InChI: InChI=1S/C29H40O6/c1-5-25(35-19(2)30)29-13-12-28(33-16-17-34-28)18-20(29)6-7-21-22-8-9-24(27(4)31-14-15-32-27)26(22,3)11-10-23(21)29/h1,6,21-25H,7-18H2,2-4H3/t21-,22-,23-,24-,25?,26-,29+/m0/s1
SMILES: CC[NH+]1C[C@@]2([C@H]([C@](C1)(C(=O)C3=CC=CC=C32)[N+](=O)[O-])CC(=O)C)[N+](=O)[O-]
InChI: InChI=1S/C17H19N3O6/c1-3-18-9-16(19(23)24)13-7-5-4-6-12(13)15(22)17(10-18,20(25)26)14(16)8-11(2)21/h4-7,14H,3,8-10H2,1-2H3/p+1/t14-,16-,17-/m1/s1
SMILES: CC1([C@@H]2CC[C@]1([C@](C2)(CCNC(=O)CC3CN4CCC3CC4)O)CS(=O)(=O)N5CCC6(CC5)C=CC7=CC=CC=C67)C
InChI: InChI=1S/C34H49N3O4S/c1-31(2)28-8-12-33(31,34(39,22-28)13-16-35-30(38)21-27-23-36-17-9-25(27)10-18-36)24-42(40,41)37-19-14-32(15-20-37)11-7-26-5-3-4-6-29(26)32/h3-7,11,25,27-28,39H,8-10,12-24H2,1-2H3,(H,35,38)/t27?,28-,33+,34-/m1/s1
SMILES: CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C22H26N2O5/c1-15(2)24(16-8-4-3-5-9-16)19(25)14-29-20(26)12-13-23-21(27)17-10-6-7-11-18(17)22(23)28/h3-9,15,17-18H,10-14H2,1-2H3/t17-,18-/m1/s1
SMILES: CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N[C@@H]3CCC[C@H]([C@@H]3C)C
InChI: InChI=1S/C19H28N4O3S2/c1-4-23-17-9-8-14(28(20,25)26)10-16(17)22-19(23)27-11-18(24)21-15-7-5-6-12(2)13(15)3/h8-10,12-13,15H,4-7,11H2,1-3H3,(H,21,24)(H2,20,25,26)/t12-,13+,15-/m1/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)O)C)C)C(C)C
InChI: InChI=1S/C29H50O4/c1-7-19(17(2)3)9-8-18(4)21-10-11-22-20-16-33-27(32)24-14-25(30)26(31)15-29(24,6)23(20)12-13-28(21,22)5/h17-26,30-31H,7-16H2,1-6H3/t18-,19-,20+,21-,22+,23+,24-,25+,26+,28-,29-/m1/s1
SMILES: CC1(CC[C@@H]([C@@]23[C@H]1CC=C4[C@@H]2[C@H](OC4)OC3=O)O)C
InChI: InChI=1S/C15H20O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,9-12,16H,4-7H2,1-2H3/t9-,10-,11+,12+,15-/m0/s1
SMILES: CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)O)C)C)C(C)C
InChI: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23-,24+,25-,26-,27-,28+,29-/m1/s1
SMILES: CC1=CC(=C(C=C1)C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)C
InChI: InChI=1S/C21H25NO5/c1-12-8-9-15(13(2)10-12)18(23)11-27-21(26)14(3)22-19(24)16-6-4-5-7-17(16)20(22)25/h8-10,14,16-17H,4-7,11H2,1-3H3/t14-,16+,17+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)CC8=CC=CC=C8
InChI: InChI=1S/C39H31ClN2O5/c40-25-14-9-15-26(20-25)42-36(45)31-21-30-27(18-19-29-33(30)37(46)41(35(29)44)22-23-10-3-1-4-11-23)34(28-16-7-8-17-32(28)43)39(31,38(42)47)24-12-5-2-6-13-24/h1-18,20,29-31,33-34,43H,19,21-22H2/t29-,30+,31-,33-,34+,39+/m0/s1
SMILES: CC1=CNC2=C1[C@@]34C[C@@H]3CN(C4=CC2=O)C(=O)C5=CC6=C7CCN(C7=C(C(=C6N5)OC)O)C(=O)C8=CC9=C1CCN(C1=C(C(=C9N8)OC)O)C(=O)N
InChI: InChI=1S/C37H33N7O8/c1-14-12-39-27-22(45)10-23-37(24(14)27)11-15(37)13-44(23)35(49)21-9-18-16-4-6-42(28(16)30(46)32(51-2)25(18)41-21)34(48)20-8-19-17-5-7-43(36(38)50)29(17)31(47)33(52-3)26(19)40-20/h8-10,12,15,39-41,46-47H,4-7,11,13H2,1-3H3,(H2,38,50)/t15-,37+/m1/s1
SMILES: C[C@H]1C[C@@H]2C=CC=C[C@@]([C@H]2OCOCCOC)(C(=O)C1)CC(=O)C
InChI: InChI=1S/C19H28O5/c1-14-10-16-6-4-5-7-19(12-15(2)20,17(21)11-14)18(16)24-13-23-9-8-22-3/h4-7,14,16,18H,8-13H2,1-3H3/t14-,16-,18-,19-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)N=[N+]=[N-])C
InChI: InChI=1S/C19H27N3O2/c1-18-8-7-14-12(13(18)5-6-17(18)24)4-3-11-9-16(23)15(21-22-20)10-19(11,14)2/h11-15H,3-10H2,1-2H3/t11-,12-,13-,14-,15+,18-,19-/m0/s1
SMILES: C[C@]12CCCC[C@@]13C=C[C@@]2([C@H]4[C@@H]3[C@H]5[C@@H](CC4=O)C6(C=CC5=O)OCCO6)C7=CC=C(C=C7)OC
InChI: InChI=1S/C29H32O5/c1-26-10-3-4-11-27(26)13-14-28(26,18-5-7-19(32-2)8-6-18)24-22(31)17-20-23(25(24)27)21(30)9-12-29(20)33-15-16-34-29/h5-9,12-14,20,23-25H,3-4,10-11,15-17H2,1-2H3/t20-,23+,24-,25+,26+,27+,28+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1C=C[C@@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C32H37NO5/c1-32(2,3)38-31(34)33-27-19-20-28(35-21-24-13-7-4-8-14-24)30(37-23-26-17-11-6-12-18-26)29(27)36-22-25-15-9-5-10-16-25/h4-20,27-30H,21-23H2,1-3H3,(H,33,34)/t27-,28+,29-,30-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC(=C(C(=C2)C)O)C)/C#N
InChI: InChI=1S/C19H24N2O2/c1-12-6-4-5-7-17(12)21-19(23)16(11-20)10-15-8-13(2)18(22)14(3)9-15/h8-10,12,17,22H,4-7H2,1-3H3,(H,21,23)/b16-10+/t12-,17+/m0/s1
SMILES: C1CN[C@H](C2=CC=CC=C21)C3=C([C@H]([C@H](CC3=O)C4=CC=C(C=C4)Cl)N5C=NC=N5)O
InChI: InChI=1S/C23H21ClN4O2/c24-16-7-5-15(6-8-16)18-11-19(29)20(23(30)22(18)28-13-25-12-27-28)21-17-4-2-1-3-14(17)9-10-26-21/h1-8,12-13,18,21-22,26,30H,9-11H2/t18-,21-,22+/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC[C@@H]5[C@@H]([C@]4(C[C@H]3O2)CO)CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)OC(=O)C
InChI: InChI=1S/C31H44O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,16,19-25,27,32,35-36H,4-10,12-15H2,1-3H3/t16-,19+,20-,21+,22-,23-,24-,25+,27+,28-,29-,30+,31+/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)SC)CCCCO)CCCCO)OCC=C)N(CCOCCO)C(=O)OCCC=C
InChI: InChI=1S/C45H62N2O10S/c1-5-8-26-53-44(51)47(21-27-52-28-24-50)41-31-39(46-55-7-3)37-29-32(13-9-11-22-48)36(14-10-12-23-49)42-38-30-34(56-33-15-18-35(58-4)19-16-33)17-20-40(38)57-45(41,43(37)42)54-25-6-2/h5-6,15-20,29-30,32,36,41-43,48-50H,1-2,7-14,21-28,31H2,3-4H3/t32-,36+,41-,42+,43+,45+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)N(C)C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H27N3O5/c1-13(24-19(26)16-6-4-5-7-17(16)20(24)27)21(28)29-12-18(25)22-14-8-10-15(11-9-14)23(2)3/h8-11,13,16-17H,4-7,12H2,1-3H3,(H,22,25)/t13-,16-,17+/m0/s1
SMILES: C[C@@H]([C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)O)O
InChI: InChI=1S/C21H36O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,17-,18+,19-,20-,21-/m0/s1
SMILES: CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H](C[C@H]([C@@H](O5)C)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C
InChI: InChI=1S/C40H63NO9/c1-9-26-11-10-12-34(50-38-16-15-33(41(5)6)23(3)46-38)22(2)39(43)32-19-30-28(31(32)20-37(42)48-26)14-13-25-17-27(18-29(25)30)49-40-36(45-8)21-35(44-7)24(4)47-40/h13-14,19,22-31,33-36,38,40H,9-12,15-18,20-21H2,1-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,35-,36-,38+,40+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F
InChI: InChI=1S/C20H22FN3O4S/c1-12-4-2-3-5-15(12)23-20(27)24-17(25)10-28-19(26)16-11-29-18(22-16)13-6-8-14(21)9-7-13/h6-9,11-12,15H,2-5,10H2,1H3,(H2,23,24,25,27)/t12-,15+/m1/s1
SMILES: CC(C)C[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NC)C=C2)C(=O)NO
InChI: InChI=1S/C32H51N5O8/c1-20(2)18-24-23(28(39)37-43)10-9-17-44-22-14-12-21(13-15-22)19-26(36-27(24)38)30(41)35-25(29(40)33-6)11-7-8-16-34-31(42)45-32(3,4)5/h12-15,20,23-26,43H,7-11,16-19H2,1-6H3,(H,33,40)(H,34,42)(H,35,41)(H,36,38)(H,37,39)/t23-,24+,25-,26-/m0/s1
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC(=C(C=C1)OCOC)C2=C3C(=CC=C2)[C@@](C(=O)N3)([C@H]4[C@@H](CO[C@H](O4)C5=CC=C(C=C5)OC)N)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C46H63N5O13Si/c1-10-25(2)38(64-65(8,9)45(3,4)5)41(54)49-33(40(53)50-34(42(55)56)22-36(48)52)21-26-14-19-35(62-24-59-6)30(20-26)29-12-11-13-31-37(29)51-44(57)46(31,58)39-32(47)23-61-43(63-39)27-15-17-28(60-7)18-16-27/h11-20,25,32-34,38-39,43,58H,10,21-24,47H2,1-9H3,(H2,48,52)(H,49,54)(H,50,53)(H,51,57)(H,55,56)/t25-,32+,33-,34-,38-,39+,43+,46-/m0/s1
SMILES: CC(C)(C)N(C1=CC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)NC(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C38H68N4O7Si3/c1-35(2,3)42(45)29-24-28(39-32(43)26-22-20-19-21-23-26)40-34(44)41(29)33-31(49-52(17,18)38(10,11)12)30(48-51(15,16)37(7,8)9)27(47-33)25-46-50(13,14)36(4,5)6/h19-24,27,30-31,33,45H,25H2,1-18H3,(H,39,40,43,44)/t27-,30-,31-,33-/m1/s1
SMILES: CCCCOP(=O)(OCCCC)SC#C[C@]1(C[C@@H](N[C@@H]([C@H]1C)C2=CC=CC=C2)C3=CC=CC=C3)O
InChI: InChI=1S/C28H38NO4PS/c1-4-6-19-32-34(31,33-20-7-5-2)35-21-18-28(30)22-26(24-14-10-8-11-15-24)29-27(23(28)3)25-16-12-9-13-17-25/h8-17,23,26-27,29-30H,4-7,19-20,22H2,1-3H3/t23-,26-,27+,28-/m1/s1
SMILES: CCOC1=C(C=CC(=C1)C#N)C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCOC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C32H33Cl2N5O3/c1-3-42-28-20-22(21-35)4-13-27(28)31-36-29(23-5-9-25(33)10-6-23)30(24-7-11-26(34)12-8-24)39(31)32(40)38-16-14-37(15-17-38)18-19-41-2/h4-13,20,29-30H,3,14-19H2,1-2H3/t29-,30+/m0/s1
SMILES: CC(=O)NC1=C(C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C)C=C(C#N)C#N
InChI: InChI=1S/C32H35N3O3/c1-20(36)35-29-23(15-21(18-33)19-34)16-28-26-10-9-24-17-25(38-30(37)22-7-5-4-6-8-22)11-13-31(24,2)27(26)12-14-32(28,29)3/h4-9,15,25-28H,10-14,16-17H2,1-3H3,(H,35,36)/t25-,26+,27-,28-,31-,32-/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOC(C)(C)C)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OC7=CC=CC(=C7)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C61H80N2O8/c1-6-8-9-10-11-12-13-14-15-32-57(67)63(42-47-28-23-27-45-25-16-17-30-50(45)47)56-41-54(62-71-60(3,4)5)52-39-46(26-18-20-35-64)51(31-19-21-36-65)58-53-40-49(69-48-29-22-24-44(38-48)43-66)33-34-55(53)70-61(56,59(52)58)68-37-7-2/h7,16-17,22-25,27-30,33-34,38-40,43,46,51,56,58-59,64-65H,2,6,8-15,18-21,26,31-32,35-37,41-42H2,1,3-5H3/t46-,51+,56-,58+,59+,61+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC=C(C=C2)OC
InChI: InChI=1S/C20H28N2O5/c1-13-6-4-5-7-17(13)22-19(24)14(2)27-18(23)12-21-20(25)15-8-10-16(26-3)11-9-15/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,21,25)(H,22,24)/t13-,14+,17+/m0/s1
SMILES: CCOC(=O)C1=NN[C@@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC
InChI: InChI=1S/C16H15N3O6/c1-3-25-16(23)12-10-11(17-18-12)14(21)19(13(10)20)9-6-4-8(5-7-9)15(22)24-2/h4-7,10-11,17H,3H2,1-2H3/t10-,11-/m1/s1
SMILES: CC1([C@H]([C@@H]([C@H](C1=O)CC#CCCCC(=O)OC)/C=C/C(CC2=CC3=CC=CC=C3S2)O)O)C
InChI: InChI=1S/C27H32O5S/c1-27(2)25(30)21(11-6-4-5-7-13-24(29)32-3)22(26(27)31)15-14-19(28)17-20-16-18-10-8-9-12-23(18)33-20/h8-10,12,14-16,19,21-22,26,28,31H,5,7,11,13,17H2,1-3H3/b15-14+/t19?,21-,22-,26+/m1/s1
SMILES: CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24-,25+,26-,27-,28+,29-/m1/s1
SMILES: C[C@H]1[C@H]([NH+]([C@H](C[C@@]1(C2=CC=CC=C2)O)C3=CC=CC=C3)C)C4=CC=CC=C4
InChI: InChI=1S/C25H27NO/c1-19-24(21-14-8-4-9-15-21)26(2)23(20-12-6-3-7-13-20)18-25(19,27)22-16-10-5-11-17-22/h3-17,19,23-24,27H,18H2,1-2H3/p+1/t19-,23+,24-,25+/m0/s1
SMILES: C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/CO
InChI: InChI=1S/C27H38O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-17,24,28-29H,18-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t24-,26+,27-/m0/s1
SMILES: CC1(O[C@@H]2[C@@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)NC4=CC=C(C=C4)Cl)C
InChI: InChI=1S/C18H22ClNO6/c1-17(2)23-11-12(24-17)14-16(26-18(3,4)25-14)22-13(11)15(21)20-10-7-5-9(19)6-8-10/h5-8,11-14,16H,1-4H3,(H,20,21)/t11-,12-,13-,14-,16+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@]13[C@H](O3)C/C(=C\CCC(=C)CC2)/CO)C(C)(C)O
InChI: InChI=1S/C20H32O3/c1-14-6-5-7-15(13-21)12-17-20(23-17)16(18(2,3)22)9-11-19(20,4)10-8-14/h7,16-17,21-22H,1,5-6,8-13H2,2-4H3/b15-7+/t16-,17+,19+,20-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN(C)CC2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C18H25F3N2O/c1-13-5-3-4-6-16(13)22-17(24)12-23(2)11-14-7-9-15(10-8-14)18(19,20)21/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,22,24)/t13-,16+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]([C@](C2=O)(CC3(CCCCC3)Cl)Cl)CCl
InChI: InChI=1S/C19H24Cl3NO3S/c1-14-5-7-16(8-6-14)27(25,26)23-12-15(11-20)19(22,17(23)24)13-18(21)9-3-2-4-10-18/h5-8,15H,2-4,9-13H2,1H3/t15-,19-/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@]2([C@H](CC[C@@]3(C2=CC(=O)C3)C)[C@@]4(C1C(C(=O)C=C4)(C)C)C)C)OC(=O)C
InChI: InChI=1S/C26H34O6/c1-14(27)31-20-21-23(3,4)19(30)9-11-25(21,6)17-8-10-24(5)13-16(29)12-18(24)26(17,7)22(20)32-15(2)28/h9,11-12,17,20-22H,8,10,13H2,1-7H3/t17-,20-,21?,22-,24+,25-,26-/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@H]2[C@@H](C(=O)N2C3=CC(=CC=C3)Cl)OC4=CC=CC=C4
InChI: InChI=1S/C23H18ClNO4/c1-28-23(27)16-12-10-15(11-13-16)20-21(29-19-8-3-2-4-9-19)22(26)25(20)18-7-5-6-17(24)14-18/h2-14,20-21H,1H3/t20-,21-/m0/s1
SMILES: COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1S[C@@H]3CS(=O)(=O)C[C@@H]3O
InChI: InChI=1S/C16H18N2O6S2/c1-24-14(20)6-7-18-15(21)10-4-2-3-5-11(10)17-16(18)25-13-9-26(22,23)8-12(13)19/h2-5,12-13,19H,6-9H2,1H3/t12-,13+/m0/s1
SMILES: [2H]C(C1=CC[C@H]2[C@@H]1[C@@H](N(C=C2C(=O)OC)C)C3=CC=C4C3=CN(C=C4C(=O)OC)C)O
InChI: InChI=1S/C23H26N2O5/c1-24-9-17-14(18(10-24)22(27)29-3)7-8-16(17)21-20-13(12-26)5-6-15(20)19(11-25(21)2)23(28)30-4/h5,7-11,15,20-21,26H,6,12H2,1-4H3/t15-,20-,21+/m1/s1/i12D/t12?,15-,20-,21+
SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)C(C)(C)CCC(=O)NCCOC(=O)CC4=C(N(C5=C4C=C(C=C5)OC)C(=O)C6=CC=C(C=C6)Cl)C
InChI: InChI=1S/C47H57ClN2O10/c1-27-21-31-8-7-28(2)36(15-13-35-23-33(51)24-43(54)59-35)44(31)40(22-27)60-46(56)47(4,5)18-17-41(52)49-19-20-58-42(53)26-37-29(3)50(39-16-14-34(57-6)25-38(37)39)45(55)30-9-11-32(48)12-10-30/h7-12,14,16,21,25,27-28,33,35-36,40,44,51H,13,15,17-20,22-24,26H2,1-6H3,(H,49,52)/t27-,28-,33+,35+,36-,40-,44-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]([C@H]2[C@@H](OC(O2)(C)C)C=O)OCOC)C
InChI: InChI=1S/C14H24O7/c1-13(2)18-7-10(20-13)11(17-8-16-5)12-9(6-15)19-14(3,4)21-12/h6,9-12H,7-8H2,1-5H3/t9-,10+,11-,12+/m0/s1