EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC1=C(C(=C(C=C1)Cl)[C@H]2C[C@H]2N3C(=O)C4=CC=CC=C4C3=O)F
InChI: InChI=1S/C19H15ClFNO3/c1-2-25-15-8-7-13(20)16(17(15)21)12-9-14(12)22-18(23)10-5-3-4-6-11(10)19(22)24/h3-8,12,14H,2,9H2,1H3/t12-,14+/m0/s1
SMILES: C1CCN(CC1)CCCN2CC[C@@H]3[C@H](C2)[C@@H](C4=CC=CC=C34)C5=CC=CC=C5
InChI: InChI=1S/C26H34N2/c1-3-10-21(11-4-1)26-24-13-6-5-12-22(24)23-14-19-28(20-25(23)26)18-9-17-27-15-7-2-8-16-27/h1,3-6,10-13,23,25-26H,2,7-9,14-20H2/t23-,25-,26+/m0/s1
SMILES: C[C@H]1CCC/C=C(\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)C)(C)C)O[Si](C)(C)C(C)(C)C)/C(=C/C2=CSC(=N2)SC)/C)/C
InChI: InChI=1S/C39H69NO5S2Si2/c1-26-20-18-19-21-27(2)34(45-49(16,17)38(8,9)10)29(4)35(42)39(11,12)32(44-48(14,15)37(5,6)7)24-33(41)43-31(22-26)28(3)23-30-25-47-36(40-30)46-13/h20,23,25,27,29,31-32,34H,18-19,21-22,24H2,1-17H3/b26-20-,28-23+/t27-,29+,31-,32-,34-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Cl
InChI: InChI=1S/C20H30ClN3O/c1-16-5-2-3-8-19(16)22-20(25)15-24-11-9-23(10-12-24)14-17-6-4-7-18(21)13-17/h4,6-7,13,16,19H,2-3,5,8-12,14-15H2,1H3,(H,22,25)/t16-,19+/m0/s1
SMILES: C#C[C@@H]1[C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H28O4/c1-2-25-27(30-19-23-14-8-4-9-15-23)28(31-20-24-16-10-5-11-17-24)26(32-25)21-29-18-22-12-6-3-7-13-22/h1,3-17,25-28H,18-21H2/t25-,26-,27-,28-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC4=C5C=CC(=CC5=CC(=N4)N(C)C)OC)C(=O)NS(=O)(=O)C6CC6
InChI: InChI=1S/C38H52N6O9S/c1-37(2,3)53-36(48)39-29-13-11-9-7-8-10-12-24-21-38(24,35(47)42-54(49,50)27-15-16-27)41-32(45)30-20-26(22-44(30)34(29)46)52-33-28-17-14-25(51-6)18-23(28)19-31(40-33)43(4)5/h10,12,14,17-19,24,26-27,29-30H,7-9,11,13,15-16,20-22H2,1-6H3,(H,39,48)(H,41,45)(H,42,47)/b12-10-/t24-,26-,29+,30+,38-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H](CC2=C(C1=O)[C@@H](C(=C(N2)C)C(=O)OCC)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OC
InChI: InChI=1S/C31H35NO8/c1-7-39-30(34)25-17(3)32-22-16-21(18-9-12-20(36-4)13-10-18)27(31(35)40-8-2)29(33)28(22)26(25)19-11-14-23(37-5)24(15-19)38-6/h9-15,21,26-27,32H,7-8,16H2,1-6H3/t21-,26-,27+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@]3([C@@H](CN(O3)C)C4=CC=CC=C4O2)[N+](=O)[O-]
InChI: InChI=1S/C18H18N2O4/c1-12-7-9-13(10-8-12)17-18(20(21)22)15(11-19(2)24-18)14-5-3-4-6-16(14)23-17/h3-10,15,17H,11H2,1-2H3/t15-,17-,18-/m0/s1
SMILES: CC(=O)OC1=C(C=C(C=C1)/C=N\NC(=O)C2[C@H]3[C@@H]2CCCC3)OC
InChI: InChI=1S/C18H22N2O4/c1-11(21)24-15-8-7-12(9-16(15)23-2)10-19-20-18(22)17-13-5-3-4-6-14(13)17/h7-10,13-14,17H,3-6H2,1-2H3,(H,20,22)/b19-10-/t13-,14+,17?
SMILES: C1[C@H]([C@@H](C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CN=CN4
InChI: InChI=1S/C21H21N3O/c25-21-18(11-16-7-3-1-4-8-16)19(20-12-22-15-23-20)14-24(21)13-17-9-5-2-6-10-17/h1-10,12,15,18-19H,11,13-14H2,(H,22,23)/t18-,19+/m0/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(C)C(=O)C6CC6)OCC=C
InChI: InChI=1S/C42H54N4O10/c1-4-22-53-42-37(45(3)40(49)28-14-15-28)25-35(44-54-26-27-12-16-30(17-13-27)46(51)52)33-23-29(10-6-8-20-47)32(11-7-9-21-48)38(39(33)42)34-24-31(18-19-36(34)56-42)55-41(50)43-5-2/h4,12-13,16-19,23-24,28-29,32,37-39,47-48H,1,5-11,14-15,20-22,25-26H2,2-3H3,(H,43,50)/t29-,32+,37-,38+,39+,42+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H20N2O5S/c1-11-4-2-3-5-14(11)19-17(21)10-25-18(22)16-9-12-8-13(20(23)24)6-7-15(12)26-16/h6-9,11,14H,2-5,10H2,1H3,(H,19,21)/t11-,14+/m1/s1
SMILES: COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O
InChI: InChI=1S/C21H22O11/c1-28-8-5-9(23)14-12(6-8)30-10-3-4-11(20(29-2)15(10)17(14)25)31-21-19(27)18(26)16(24)13(7-22)32-21/h3-6,13,16,18-19,21-24,26-27H,7H2,1-2H3/t13-,16-,18+,19-,21-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N(C[C@H]2CCCO2)C[C@@]3(CC[C@@H]4[C@@]3(CC[C@H]5[C@]46C=C[C@@]7([C@@]5(CCC(C7)O)C)C=C6C(=O)C8=CC(=CC=C8)C(F)(F)F)C)O
InChI: InChI=1S/C44H53F3N2O5/c1-28(29-9-5-4-6-10-29)48-38(52)49(26-33-13-8-22-54-33)27-42(53)19-16-36-40(42,3)18-15-35-39(2)17-14-32(50)24-41(39)20-21-43(35,36)34(25-41)37(51)30-11-7-12-31(23-30)44(45,46)47/h4-7,9-12,20-21,23,25,28,32-33,35-36,50,53H,8,13-19,22,24,26-27H2,1-3H3,(H,48,52)/t28-,32?,33-,35-,36-,39-,40+,41+,42-,43-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC(=C(C(=C7)Br)O)OC)C(=O)N(C5=O)C8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C40H33BrN4O8/c1-21-8-10-24(11-9-21)42-44-37(48)30-20-29-27(16-17-28-33(29)38(49)43(36(28)47)25-12-14-26(15-13-25)45(51)52)34(22-18-31(41)35(46)32(19-22)53-2)40(30,39(44)50)23-6-4-3-5-7-23/h3-16,18-19,28-30,33-34,42,46H,17,20H2,1-2H3/t28-,29+,30-,33-,34-,40+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C19H27NO5/c1-12-7-5-6-8-16(12)20-18(21)13(2)25-19(22)15-10-9-14(23-3)11-17(15)24-4/h9-13,16H,5-8H2,1-4H3,(H,20,21)/t12-,13+,16-/m0/s1
SMILES: CN(CC(=O)O)C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)[C@@H]2OC)COC(=O)OC(=O)NCC3=CC=CC=C3
InChI: InChI=1S/C21H23N3O11S/c1-23(9-14(25)26)17(27)15-13(11-36(31,32)19-16(33-2)18(28)24(15)19)10-34-21(30)35-20(29)22-8-12-6-4-3-5-7-12/h3-7,16,19H,8-11H2,1-2H3,(H,22,29)(H,25,26)/t16-,19+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[C@@H](C(CC(=O)[C@@H](C)[C@@H](CCCCOCC2=CC=C(C=C2)OC)O)OC(=O)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCOC)OCOC
InChI: InChI=1S/C43H78O13Si2/c1-29(34(45)19-17-18-24-50-26-32-20-22-33(49-12)23-21-32)35(46)25-36(53-31(3)44)39(55-57(13,14)42(4,5)6)38-30(2)37(51-27-47-10)40(52-28-48-11)41(54-38)56-58(15,16)43(7,8)9/h20-23,29-30,34,36-41,45H,17-19,24-28H2,1-16H3/t29-,30+,34+,36?,37+,38+,39+,40-,41+/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)NC(=O)[C@H]2[C@@H](N3C(=NC=N3)NC2=C)C4=CC=CC=C4
InChI: InChI=1S/C21H21N5O3/c1-13-18(20(27)25-16-11-15(28-2)9-10-17(16)29-3)19(14-7-5-4-6-8-14)26-21(24-13)22-12-23-26/h4-12,18-19H,1H2,2-3H3,(H,25,27)(H,22,23,24)/t18-,19+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1CN(C[C@H]1NC(=O)OC(C)(C)C)C(=O)CCC(=O)O
InChI: InChI=1S/C18H31N3O7/c1-17(2,3)27-15(25)19-11-9-21(13(22)7-8-14(23)24)10-12(11)20-16(26)28-18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,25)(H,20,26)(H,23,24)/t11-,12-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)NC(=O)[C@@H]2[N+]3=CC=CC=C3)C#N
InChI: InChI=1S/C17H13N3O2/c18-11-13-14(12-7-3-1-4-8-12)15(17(22)19-16(13)21)20-9-5-2-6-10-20/h1-10,13-15H/p+1/t13-,14-,15-/m1/s1
SMILES: [2H][C@@]1(CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@](C=C2C1)([2H])O)CC[C@@H]4[C@H](C)CC[C@@H](CC)C(C)C)C)C)O
InChI: InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1/i22D,26D
SMILES: CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O[Si](CCC2=CC=C(C=C2)C[N+](C)(C)C)(C3=CC=CC=C3)C(C)(C)C)O.[Cl-]
InChI: InChI=1S/C44H70NO5Si.ClH/c1-10-11-30-44(5,48)31-19-23-39-38(22-17-12-13-18-24-42(47)49-9)40(46)33-41(39)50-51(43(2,3)4,37-20-15-14-16-21-37)32-29-35-25-27-36(28-26-35)34-45(6,7)8;/h14-16,19-21,23,25-28,38-39,41,48H,10-13,17-18,22,24,29-34H2,1-9H3;1H/q+1;/p-1/b23-19+;/t38-,39-,41-,44?,51?;/m1./s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CN=C=S)C
InChI: InChI=1S/C13H19NO5S/c1-12(2)16-8-7(5-14-6-20)15-11-10(9(8)17-12)18-13(3,4)19-11/h7-11H,5H2,1-4H3/t7-,8+,9+,10-,11-/m1/s1
SMILES: C[C@@H]1[C@@H](N[C@@H]([C@H](C1=NO)C)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C23H30N2O5/c1-13-21(25-26)14(2)23(16-8-10-18(28-4)20(12-16)30-6)24-22(13)15-7-9-17(27-3)19(11-15)29-5/h7-14,22-24,26H,1-6H3/t13-,14-,22-,23+/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CS5)C
InChI: InChI=1S/C23H20N2O3S/c1-14-10-11-17(15(2)13-14)24-22(26)19-20(18-9-6-12-29-18)25(28-21(19)23(24)27)16-7-4-3-5-8-16/h3-13,19-21H,1-2H3/t19-,20+,21-/m0/s1
SMILES: C/C=C/[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1C3=CC=C(C=C3)Cl
InChI: InChI=1S/C17H22ClN/c1-3-4-15-16(12-5-7-13(18)8-6-12)11-14-9-10-17(15)19(14)2/h3-8,14-17H,9-11H2,1-2H3/b4-3+/t14-,15-,16+,17+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)[C@@H](C#C)N=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C30H31N3O5/c1-3-25(32-33-31)26-27(35-19-22-13-7-4-8-14-22)28(36-20-23-15-9-5-10-16-23)29(30(34-2)38-26)37-21-24-17-11-6-12-18-24/h1,4-18,25-30H,19-21H2,2H3/t25-,26-,27-,28+,29-,30+/m1/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@@H]2[C@H]1OC(=O)N2CC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)CO
InChI: InChI=1S/C29H31NO5/c31-18-24-16-25-26(30(29(32)35-25)17-21-10-4-1-5-11-21)28(34-20-23-14-8-3-9-15-23)27(24)33-19-22-12-6-2-7-13-22/h1-15,24-28,31H,16-20H2/t24-,25-,26-,27+,28+/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4
InChI: InChI=1S/C22H26N2O3S/c25-22(24-15-14-17-6-4-5-7-19(17)16-24)18-10-12-21(13-11-18)28(26,27)23-20-8-2-1-3-9-20/h1-3,8-13,17,19,23H,4-7,14-16H2/t17-,19-/m1/s1
SMILES: C[NH+]1C[C@H]2[C@H]3CC[C@@H]([C@@H]2C1)C3OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C17H21NO2/c1-18-9-14-12-7-8-13(15(14)10-18)16(12)20-17(19)11-5-3-2-4-6-11/h2-6,12-16H,7-10H2,1H3/p+1/t12-,13+,14-,15-,16?/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3
InChI: InChI=1S/C20H25N5O2S/c1-12-5-2-3-6-15(12)22-20(28)24-23-18(26)13-8-9-14-16(11-13)21-17-7-4-10-25(17)19(14)27/h8-9,11-12,15H,2-7,10H2,1H3,(H,23,26)(H2,22,24,28)/t12-,15-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H]2[C@@H](O1)N=C(O2)N
InChI: InChI=1S/C12H24N2O3Si/c1-12(2,3)18(4,5)15-7-8-6-9-10(16-8)14-11(13)17-9/h8-10H,6-7H2,1-5H3,(H2,13,14)/t8-,9-,10+/m0/s1
SMILES: CCCCC(C)/C=C(/C)\C(=O)O[C@@H]1CC[C@@H]([C@@]2(C1=CC(=O)C(C2)C(C)C=O)C)C(=O)O
InChI: InChI=1S/C25H36O6/c1-6-7-8-15(2)11-16(3)24(30)31-22-10-9-19(23(28)29)25(5)13-18(17(4)14-26)21(27)12-20(22)25/h11-12,14-15,17-19,22H,6-10,13H2,1-5H3,(H,28,29)/b16-11-/t15?,17?,18?,19-,22-,25-/m1/s1
SMILES: C1C[C@H](N(C1)C(=O)[C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(=O)N
InChI: InChI=1S/C28H48N10O14/c29-8-17(40)35-12(3-1-5-33-28(31)32)24(48)34-9-18(41)36-13(7-19(42)43)25(49)37-14(26(50)38-6-2-4-15(38)23(30)47)11-51-27-22(46)21(45)20(44)16(10-39)52-27/h12-16,20-22,27,39,44-46H,1-11,29H2,(H2,30,47)(H,34,48)(H,35,40)(H,36,41)(H,37,49)(H,42,43)(H4,31,32,33)/t12-,13-,14+,15-,16+,20+,21-,22+,27+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2C[C@@]34CC[C@@H]5[C@@]([C@H]3C[C@@H]2C(=O)C4)(CCC[C@@]5(C)C(=O)OC)C
InChI: InChI=1S/C27H36O6S/c1-17-6-8-18(9-7-17)34(30,31)33-21-16-27-13-10-22-25(2,23(27)14-19(21)20(28)15-27)11-5-12-26(22,3)24(29)32-4/h6-9,19,21-23H,5,10-16H2,1-4H3/t19-,21-,22-,23-,25+,26-,27+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C(=CC=C6)F)O)C(=O)N(C5=O)CCCC(=O)O)C(=O)N(C3=O)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C37H32Cl2FN3O8/c1-51-20-10-7-18(8-11-20)37-25(34(48)43(36(37)50)41-28-14-9-19(38)16-26(28)39)17-24-21(31(37)23-4-2-5-27(40)32(23)46)12-13-22-30(24)35(49)42(33(22)47)15-3-6-29(44)45/h2,4-5,7-12,14,16,22,24-25,30-31,41,46H,3,6,13,15,17H2,1H3,(H,44,45)/t22-,24+,25-,30-,31+,37+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C16H13NO4/c18-15-13-8-1-2-9(5-8)14(13)16(19)17(15)10-3-4-11-12(6-10)21-7-20-11/h1-4,6,8-9,13-14H,5,7H2/t8-,9+,13+,14-
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)NC)O)(C)OC/C=C/C3=CC4=CC=CC=C4N=C3)C)C)O)(C)O
InChI: InChI=1S/C40H58N2O10/c1-10-31-40(8,48)35(46)24(4)32(43)22(2)20-39(7,49-17-13-14-27-19-28-15-11-12-16-29(28)42-21-27)36(25(5)33(44)26(6)37(47)51-31)52-38-34(45)30(41-9)18-23(3)50-38/h11-16,19,21-26,30-31,34-36,38,41,45-46,48H,10,17-18,20H2,1-9H3/b14-13+/t22-,23-,24+,25+,26-,30+,31-,34-,35-,36-,38+,39-,40-/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H](C2=C)C(=O)NC3=CC=C(C=C3)OC
InChI: InChI=1S/C20H20N2O4/c1-12-17(19(23)21-13-4-8-15(25-2)9-5-13)18(12)20(24)22-14-6-10-16(26-3)11-7-14/h4-11,17-18H,1H2,2-3H3,(H,21,23)(H,22,24)/t17-,18-/m0/s1
SMILES: C1[C@H](C=C2[C@@H](C1=O)[C@@H](N3C(=NC=N3)N2)C4=CC(=CC(=C4)F)F)C5=CC=CO5
InChI: InChI=1S/C19H14F2N4O2/c20-12-4-11(5-13(21)8-12)18-17-14(24-19-22-9-23-25(18)19)6-10(7-15(17)26)16-2-1-3-27-16/h1-6,8-10,17-18H,7H2,(H,22,23,24)/t10-,17-,18-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=C(C(=O)NC3=O)CNC(=O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)OP(=O)(O)SC9=CC=CC=C9)CO)C
InChI: InChI=1S/C50H52N5O17PS/c1-49(2)70-39-36(27-56)67-45(42(39)71-49)55-26-29(43(58)53-47(55)60)25-51-48(61)69-41-40(72-73(62,63)74-35-13-9-6-10-14-35)37(68-44(41)54-24-23-38(57)52-46(54)59)28-66-50(30-11-7-5-8-12-30,31-15-19-33(64-3)20-16-31)32-17-21-34(65-4)22-18-32/h5-24,26,36-37,39-42,44-45,56H,25,27-28H2,1-4H3,(H,51,61)(H,62,63)(H,52,57,59)(H,53,58,60)/t36-,37-,39-,40-,41-,42-,44-,45-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H]3CC[C@@]4([C@@H]([C@@H]3C(=O)C=C2C1)CC[C@@H]4OCC5=CC=CC=C5)C)C
InChI: InChI=1S/C28H36O4/c1-18(29)32-21-11-13-27(2)20(15-21)16-24(30)26-22-9-10-25(28(22,3)14-12-23(26)27)31-17-19-7-5-4-6-8-19/h4-8,16,21-23,25-26H,9-15,17H2,1-3H3/t21-,22+,23+,25-,26-,27+,28+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC[C@@H]2N1[C@H](OC2)C3=CC=CC=C3)CO
InChI: InChI=1S/C17H23NO4/c1-2-21-17(20)15-13(10-19)8-9-14-11-22-16(18(14)15)12-6-4-3-5-7-12/h3-7,13-16,19H,2,8-11H2,1H3/t13-,14+,15+,16-/m1/s1
SMILES: C1=CC(=CC2=C1C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC=CC=C4)C(=O)C5CCCC5)C(=O)NCCO)C=O
InChI: InChI=1S/C30H34N2O7/c1-38-24-14-19(17-34)13-21-25-22(29(36)31-11-12-33)15-23(26(35)28(25)39-27(21)24)32(16-18-7-3-2-4-8-18)30(37)20-9-5-6-10-20/h2-4,7-8,13-15,17,20,23,25-26,28,33,35H,5-6,9-12,16H2,1H3,(H,31,36)/t23-,25+,26+,28+/m1/s1
SMILES: C[C@H]1N([C@@]23CCCC[C@]2(O1)N=[N+]([N-]3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C20H20N6O5/c1-14-23(15-4-8-17(9-5-15)25(27)28)19-12-2-3-13-20(19,31-14)22-24(21-19)16-6-10-18(11-7-16)26(29)30/h4-11,14H,2-3,12-13H2,1H3/t14-,19-,20+/m0/s1
SMILES: CC1(N([C@H](CO1)CCCC[C@@H]2[C@H]([C@@H]([C@H](N2C(=O)OCC3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C48H60N2O8/c1-47(2,3)58-46(52)50-40(34-57-48(50,4)5)28-18-19-29-41-43(54-31-37-22-12-7-13-23-37)44(55-32-38-24-14-8-15-25-38)42(35-53-30-36-20-10-6-11-21-36)49(41)45(51)56-33-39-26-16-9-17-27-39/h6-17,20-27,40-44H,18-19,28-35H2,1-5H3/t40-,41+,42+,43+,44+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@H]3[C@@H](O2)OC(O1)(O3)C4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C19H18O5/c1-3-7-13(8-4-1)11-20-16-15-12-21-19(14-9-5-2-6-10-14)23-17(16)18(22-15)24-19/h1-10,15-18H,11-12H2/t15-,16-,17+,18+,19?/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2CN(C(=O)[C@@H]2C(=O)OC)C([Si](C)(C)C)[Si](C)(C)C
InChI: InChI=1S/C20H33NO4Si2/c1-24-15-11-9-14(10-12-15)16-13-21(18(22)17(16)19(23)25-2)20(26(3,4)5)27(6,7)8/h9-12,16-17,20H,13H2,1-8H3/t16-,17-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC(=O)NC1CCCC1)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H25N3O6/c1-11(22-16(24)13-8-4-5-9-14(13)17(22)25)18(26)28-10-15(23)21-19(27)20-12-6-2-3-7-12/h4-5,11-14H,2-3,6-10H2,1H3,(H2,20,21,23,27)/t11-,13-,14+/m0/s1
SMILES: CN(CCC1=CC=CC=C1)C(=O)[C@H]2C[C@]3([C@H]4CC5=C6[C@@]3(CCN4CC7CC7)[C@H]([C@H]2O)OC6=C(C=C5)OCC8=CC=CC=C8)O
InChI: InChI=1S/C37H42N2O5/c1-38(18-16-24-8-4-2-5-9-24)35(41)28-21-37(42)30-20-27-14-15-29(43-23-26-10-6-3-7-11-26)33-31(27)36(37,34(44-33)32(28)40)17-19-39(30)22-25-12-13-25/h2-11,14-15,25,28,30,32,34,40,42H,12-13,16-23H2,1H3/t28-,30+,32-,34-,36-,37+/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC5=C4N=C6CCCCC6=C5)C)OC7=CC=CC=C7
InChI: InChI=1S/C32H39NO/c1-31-16-14-25(34-24-9-4-3-5-10-24)20-23(31)12-13-26-27(31)15-17-32(2)28(26)19-22-18-21-8-6-7-11-29(21)33-30(22)32/h3-5,9-10,12,18,25-28H,6-8,11,13-17,19-20H2,1-2H3/t25-,26+,27-,28-,31-,32-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCC[C@@H]4[C@@H]3CCCC4
InChI: InChI=1S/C22H33N3O3S/c1-18-8-10-20(11-9-18)29(27,28)25-15-13-23(14-16-25)22(26)17-24-12-4-6-19-5-2-3-7-21(19)24/h8-11,19,21H,2-7,12-17H2,1H3/t19-,21+/m1/s1
SMILES: CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@](C3OC(=O)C4=CC=CC=C4)([C@H](C1O)OC)O)C56[C@H](C[C@H]([C@@]7([C@H]5[C@H](C2[C@H]6N(C7)C=O)OC)COC)O)OC
InChI: InChI=1S/C33H43NO12/c1-16(36)46-33-21-18(12-31(40,28(44-5)26(33)38)27(21)45-29(39)17-9-7-6-8-10-17)32-20(42-3)11-19(37)30(14-41-2)13-34(15-35)25(32)22(33)23(43-4)24(30)32/h6-10,15,18-28,37-38,40H,11-14H2,1-5H3/t18-,19-,20+,21-,22?,23+,24-,25-,26?,27?,28+,30+,31-,32?,33-/m1/s1
SMILES: CC(C)OCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)C=O)C(=O)NCCO)C(=O)CC4CC5CCC4C5
InChI: InChI=1S/C32H44N2O8/c1-18(2)41-10-4-8-34(27(37)15-22-12-19-5-6-21(22)11-19)25-16-24(32(39)33-7-9-35)28-23-13-20(17-36)14-26(40-3)30(23)42-31(28)29(25)38/h13-14,16-19,21-22,25,28-29,31,35,38H,4-12,15H2,1-3H3,(H,33,39)/t19?,21?,22?,25-,28+,29+,31+/m1/s1
SMILES: C[C@H](CC(=O)C1C(O1)(C)C)[C@H]2C(=O)C[C@@]3([C@@]2([C@@H](C[C@]45C3=CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)OC(=O)C)C)C
InChI: InChI=1S/C37H54O10/c1-18(13-20(39)30-33(5,6)47-30)27-21(40)14-34(7)24-10-9-23-32(3,4)25(46-31-29(43)28(42)22(41)16-44-31)11-12-36(23)17-37(24,36)15-26(35(27,34)8)45-19(2)38/h10,18,22-23,25-31,41-43H,9,11-17H2,1-8H3/t18-,22-,23+,25+,26-,27+,28+,29-,30?,31+,34+,35-,36-,37+/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC=C(C=C4)F)C(=O)CC5CC6CCC5C6)C(=O)NCCO)CO
InChI: InChI=1S/C33H39FN2O7/c1-42-27-13-20(17-38)12-24-29-25(33(41)35-8-9-37)15-26(30(40)32(29)43-31(24)27)36(16-18-3-6-23(34)7-4-18)28(39)14-22-11-19-2-5-21(22)10-19/h3-4,6-7,12-13,15,19,21-22,26,29-30,32,37-38,40H,2,5,8-11,14,16-17H2,1H3,(H,35,41)/t19?,21?,22?,26-,29+,30+,32+/m1/s1
SMILES: CCCCCC(=O)N1[C@@H]([C@H]2C(=O)CC(C=C2NC3=CC=CC=C31)(C)C)C4=CC(=CC=C4)OCCC
InChI: InChI=1S/C30H38N2O3/c1-5-7-8-16-27(34)32-25-15-10-9-14-23(25)31-24-19-30(3,4)20-26(33)28(24)29(32)21-12-11-13-22(18-21)35-17-6-2/h9-15,18-19,28-29,31H,5-8,16-17,20H2,1-4H3/t28-,29-/m1/s1
SMILES: [H][C@@]1([C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)CO)O)[2H]
InChI: InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i2D/t2-,6-,7+,8+
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)CC[C@]34CO
InChI: InChI=1S/C21H30O5/c1-19-7-5-17-15(16(19)6-9-21(19,26)18(25)11-22)3-2-13-10-14(24)4-8-20(13,17)12-23/h10,15-17,22-23,26H,2-9,11-12H2,1H3/t15-,16-,17-,19-,20+,21-/m0/s1
SMILES: CCNC(=O)NCC1=CC(=CC=C1)C2=CC=C(C=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CN5CCC6=CC(=C(C=C6C5)OC)OC
InChI: InChI=1S/C40H47N3O6/c1-5-41-40(45)42-22-28-7-6-8-32(19-28)29-13-15-31(16-14-29)39-48-37(26(2)38(49-39)30-11-9-27(25-44)10-12-30)24-43-18-17-33-20-35(46-3)36(47-4)21-34(33)23-43/h6-16,19-21,26,37-39,44H,5,17-18,22-25H2,1-4H3,(H2,41,42,45)/t26-,37+,38+,39+/m1/s1
SMILES: CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(C4=C(C=CC(=C4)Cl)NC3=O)N[C@@H]2[C@@H](C)O
InChI: InChI=1S/C19H22ClN3O4/c1-4-8(2)23-16(25)13-14(17(23)26)19(22-15(13)9(3)24)11-7-10(20)5-6-12(11)21-18(19)27/h5-9,13-15,22,24H,4H2,1-3H3,(H,21,27)/t8-,9+,13-,14-,15+,19+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C(=CC[C@@H]3[C@]2(C(=O)N(C3=O)NC4=CC=C(C=C4)F)C5=CC=C(C=C5)Cl)C=C)I)O
InChI: InChI=1S/C29H23ClFIN2O4/c1-3-16-4-13-22-27(36)34(33-21-11-9-20(31)10-12-21)28(37)29(22,18-5-7-19(30)8-6-18)25(16)17-14-23(32)26(35)24(15-17)38-2/h3-12,14-15,22,25,33,35H,1,13H2,2H3/t22-,25+,29+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]3[C@H]4C[C@@]([C@H]2[C@]35[C@H](OC(=O)N5C4)CO[Si](C)(C)C(C)(C)C)(CCCC=C)COCOC
InChI: InChI=1S/C33H52N2O7SSi/c1-9-10-11-17-32(22-40-23-39-6)19-25-20-34-30(36)42-28(21-41-44(7,8)31(3,4)5)33(34)27(25)16-18-35(29(32)33)43(37,38)26-14-12-24(2)13-15-26/h9,12-15,25,27-29H,1,10-11,16-23H2,2-8H3/t25-,27+,28+,29-,32-,33+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@]2([C@@H]([C@@H](S2)Cl)Cl)[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C27H22Cl2SSi/c28-25-26(29)30-27(25,21-13-5-1-6-14-21)31(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H/t25-,26-,27+/m1/s1
SMILES: CC(=O)C1=CN2[C@H](C=C1)[C@@]([C@@H]([C@@H]2C(=O)N)C3=CC=C(C=C3)Cl)(C#N)C(=O)OC
InChI: InChI=1S/C20H18ClN3O4/c1-11(25)13-5-8-15-20(10-22,19(27)28-2)16(12-3-6-14(21)7-4-12)17(18(23)26)24(15)9-13/h3-9,15-17H,1-2H3,(H2,23,26)/t15-,16-,17-,20-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CCOCCO)[C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC5=CC=CC=C5F)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C53H79FN2O10/c1-4-7-8-9-10-11-12-13-14-21-33-62-52(60)56(28-34-61-35-31-59)49-38-47(55-65-6-3)44-36-40(22-17-19-29-57)43(24-18-20-30-58)50-45-37-42(63-39-41-23-15-16-25-46(41)54)26-27-48(45)66-53(49,51(44)50)64-32-5-2/h5,15-16,23,25-27,36-37,40,43,49-51,57-59H,2,4,6-14,17-22,24,28-35,38-39H2,1,3H3/t40-,43+,49-,50+,51+,53+/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C=C/C3=CC(=CC=C3)OC)SC1)C(=O)O
InChI: InChI=1S/C20H20N2O7S/c1-11(23)29-9-13-10-30-19-16(18(25)22(19)17(13)20(26)27)21-15(24)7-6-12-4-3-5-14(8-12)28-2/h3-8,16,19H,9-10H2,1-2H3,(H,21,24)(H,26,27)/b7-6+/t16-,19-/m1/s1
SMILES: CC1C[C@@H]2[C@H]3[C@](CCC[C@@]3([C@]1(CCC4=COC=C4)O)C)(C(=O)O2)C
InChI: InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13?,15-,16+,18+,19+,20-/m1/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)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC=C(C=C7)O
InChI: InChI=1S/C37H30O14/c38-18-5-1-15(2-6-18)37(48)50-29-13-20-23(42)14-27(46)31(36(20)51-34(29)16-3-7-21(40)24(43)9-16)32-30-26(45)11-19(39)12-28(30)49-35(33(32)47)17-4-8-22(41)25(44)10-17/h1-12,14,29,32-35,38-47H,13H2/t29-,32+,33+,34+,35+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](S1)O[C@@H]2[C@H]([C@H]3[C@@H](CO[C@H](O3)C4=CC=CC=C4)O[C@@H]2OCC=C)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H42O15S/c1-6-17-43-36-32(52-37-33(48-23(5)41)31(47-22(4)40)29(46-21(3)39)27(53-37)19-44-20(2)38)30(50-34(42)24-13-9-7-10-14-24)28-26(49-36)18-45-35(51-28)25-15-11-8-12-16-25/h6-16,26-33,35-37H,1,17-19H2,2-5H3/t26-,27-,28-,29-,30+,31+,32-,33-,35-,36+,37-/m1/s1
SMILES: CCCC(C(=O)C(=O)N[C@@H](C)C1=CC=CC=C1)NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C3CCCCC3)NC(=O)C4CSC(=O)N4)C5CCCCC5
InChI: InChI=1S/C43H64N6O7S/c1-6-16-31(35(50)40(54)44-26(2)27-17-10-7-11-18-27)45-39(53)34-30(28-19-12-8-13-20-28)23-24-49(34)41(55)36(43(3,4)5)48-38(52)33(29-21-14-9-15-22-29)47-37(51)32-25-57-42(56)46-32/h7,10-11,17-18,26,28-34,36H,6,8-9,12-16,19-25H2,1-5H3,(H,44,54)(H,45,53)(H,46,56)(H,47,51)(H,48,52)/t26-,30+,31?,32?,33-,34-,36+/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C23H22N2O3S/c26-21(18-8-4-5-9-19(18)22(27)28)25-23-24-20(14-29-23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-14,18-19H,4-5,8-9H2,(H,27,28)(H,24,25,26)/t18-,19-/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5O
InChI: InChI=1S/C24H20N2O4/c1-15-11-13-16(14-12-15)25-23(28)20-21(18-9-5-6-10-19(18)27)26(30-22(20)24(25)29)17-7-3-2-4-8-17/h2-14,20-22,27H,1H3/t20-,21-,22+/m0/s1
SMILES: C1=CC=C2[C@@H]3[C@@H]4[C@H]([C@H](N3C=CC2=C1)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=CC=C6Cl
InChI: InChI=1S/C27H18Cl2N2O3/c28-17-11-9-16(10-12-17)25(32)24-22-21(23-18-6-2-1-5-15(18)13-14-30(23)24)26(33)31(27(22)34)20-8-4-3-7-19(20)29/h1-14,21-24H/t21-,22+,23+,24-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)C(=O)OCC(F)F)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C21H26F2O4/c1-21-7-6-14-13-5-3-12(24)8-11(13)2-4-15(14)17(21)9-16(19(21)25)20(26)27-10-18(22)23/h3,5,8,14-19,24-25H,2,4,6-7,9-10H2,1H3/t14-,15-,16-,17+,19+,21+/m1/s1
SMILES: CCCCC[C@@H](CCCCCCCCCC(=O)OC)O[C@H]1[C@H]2[C@@H]([C@H]([C@@H](O1)C)O[C@H]3[C@H]4[C@@H]([C@H]([C@@H](O3)C)O)OC(O4)(C)C)OC(O2)(C)C
InChI: InChI=1S/C35H62O11/c1-9-10-16-19-24(20-17-14-12-11-13-15-18-21-25(36)38-8)41-32-31-29(44-35(6,7)46-31)27(23(3)40-32)42-33-30-28(26(37)22(2)39-33)43-34(4,5)45-30/h22-24,26-33,37H,9-21H2,1-8H3/t22-,23-,24-,26-,27-,28+,29+,30+,31+,32-,33-/m0/s1
SMILES: C1C[C@@H]([C@@H]2C=C[C@@H](O2)/C(=C/C3=CC=CC=C3)/C1)CO
InChI: InChI=1S/C17H20O2/c18-12-15-8-4-7-14(16-9-10-17(15)19-16)11-13-5-2-1-3-6-13/h1-3,5-6,9-11,15-18H,4,7-8,12H2/b14-11+/t15-,16-,17+/m1/s1