EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC(=O)O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)C3=C4C=C(C=CC4=NC=C3)OC
InChI: InChI=1S/C23H28N2O3/c1-4-15-14-25-11-9-16(15)12-21(25)23(28-22(26)5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21,23H,1,5,9,11-12,14H2,2-3H3/t15-,16-,21-,23+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC4=CC=CC=C43)C(=O)NC(C)C)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)CC6=C(C=CC=C6Cl)F)C
InChI: InChI=1S/C45H52ClFN2O4/c1-29(2)48-43(52)49(27-33-13-7-12-32-11-5-6-14-35(32)33)28-45(53)23-21-39-36-20-18-31(24-34(50)19-17-30(3)10-9-22-44(39,45)4)25-37(36)42(51)26-38-40(46)15-8-16-41(38)47/h5-8,10-16,18,20,25,29,34,39,50,53H,9,17,19,21-24,26-28H2,1-4H3,(H,48,52)/t34-,39-,44-,45+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H22ClN3OS/c1-13-4-2-3-5-17(13)22-19(25)10-16-12-26-20-23-18(11-24(16)20)14-6-8-15(21)9-7-14/h6-9,11-13,17H,2-5,10H2,1H3,(H,22,25)/t13-,17+/m1/s1
SMILES: CC(=O)OC[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)N(C3=C4C(=C(C(=O)N23)C5=CC=CC=C5)C(=O)OC4=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C
InChI: InChI=1S/C31H26N2O11/c1-15(34)40-14-20(41-16(2)35)25-26(42-17(3)36)24-29(43-25)32(19-12-8-5-9-13-19)27-23-22(30(38)44-31(23)39)21(28(37)33(24)27)18-10-6-4-7-11-18/h4-13,20,24-26,29H,14H2,1-3H3/t20-,24-,25-,26-,29+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC(=C(C=C4)O)F)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C38H27ClFN3O7/c39-22-7-4-8-25(18-22)42-35(46)29-19-28-26(14-15-27-32(28)36(47)41(34(27)45)23-10-12-24(13-11-23)43(49)50)33(20-9-16-31(44)30(40)17-20)38(29,37(42)48)21-5-2-1-3-6-21/h1-14,16-18,27-29,32-33,44H,15,19H2/t27-,28+,29-,32-,33-,38+/m0/s1
SMILES: CCC[C@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=C(C=C3)Cl)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C18H21ClN2O4/c1-4-9-18(17(24)25-3)13-12(15(22)21(2)16(13)23)14(20-18)10-5-7-11(19)8-6-10/h5-8,12-14,20H,4,9H2,1-3H3/p+1/t12-,13-,14-,18-/m0/s1
SMILES: CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@H]3[C@H](O2)[C@@H]([C@@H]4[C@H](O3)CO[C@@H](O4)C5=CC=CC=C5)N=[N+]=[N-])OC(=O)C(C)(C)C
InChI: InChI=1S/C26H30N6O8/c1-13(33)28-16-10-11-32(25(35)29-16)22-21(40-24(34)26(2,3)4)20-19(38-22)17(30-31-27)18-15(37-20)12-36-23(39-18)14-8-6-5-7-9-14/h5-11,15,17-23H,12H2,1-4H3,(H,28,29,33,35)/t15-,17-,18+,19-,20-,21-,22-,23+/m1/s1
SMILES: COC(=O)C1=CC(=CC(=C1)NC(=O)[C@H]2C[C@H]2C3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C20H19NO5/c1-25-19(23)13-8-14(20(24)26-2)10-15(9-13)21-18(22)17-11-16(17)12-6-4-3-5-7-12/h3-10,16-17H,11H2,1-2H3,(H,21,22)/t16-,17-/m0/s1
SMILES: C1CCC(CC1)CC(=O)N=C2N([C@@H]3CS(=O)(=O)C[C@@H]3S2)C4=CC=CC=C4
InChI: InChI=1S/C19H24N2O3S2/c22-18(11-14-7-3-1-4-8-14)20-19-21(15-9-5-2-6-10-15)16-12-26(23,24)13-17(16)25-19/h2,5-6,9-10,14,16-17H,1,3-4,7-8,11-13H2/t16-,17+/m1/s1
SMILES: CC[C@]12CCC3=C(C1=CC[C@@H]2OC(=O)C)CC4=C3C=CC(=C4)OC
InChI: InChI=1S/C21H24O3/c1-4-21-10-9-17-16-6-5-15(23-3)11-14(16)12-18(17)19(21)7-8-20(21)24-13(2)22/h5-7,11,20H,4,8-10,12H2,1-3H3/t20-,21-/m0/s1
SMILES: CC(=O)C1=CC(=CC=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)C4CC4
InChI: InChI=1S/C17H18N2O4S2/c1-10(20)12-3-2-4-13(7-12)19-14-8-25(22,23)9-15(14)24-17(19)18-16(21)11-5-6-11/h2-4,7,11,14-15H,5-6,8-9H2,1H3/t14-,15-/m0/s1
SMILES: C[C@]1(C=CC([C@@]2([C@@]1(C)O)COC(O2)(C)C)(F)F)OCC3=CC=CC=C3
InChI: InChI=1S/C19H24F2O4/c1-15(2)24-13-18(25-15)17(4,22)16(3,10-11-19(18,20)21)23-12-14-8-6-5-7-9-14/h5-11,22H,12-13H2,1-4H3/t16-,17+,18+/m1/s1
SMILES: [B-](F)(F)(F)F.CC1(O[C@@H]([C@H](O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C.C1C[CH][CH]CC[CH][CH]1.[Rh]
InChI: InChI=1S/C31H32O2P2.C8H12.BF4.Rh/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h3-22,29-30H,23-24H2,1-2H3;1-2,7-8H,3-6H2;;/q;;-1;/t29-,30-;;;/m1.../s1
SMILES: C[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCNC(=O)C2=CC(=CC=C2)OC
InChI: InChI=1S/C17H26N2O4S/c1-13-6-3-4-9-16(13)19-24(21,22)11-10-18-17(20)14-7-5-8-15(12-14)23-2/h5,7-8,12-13,16,19H,3-4,6,9-11H2,1-2H3,(H,18,20)/t13-,16+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC5=CC=CC=C54)O)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl)[C@@H]8[C@H]1C(=O)N(C8=O)C9=CC=C(C=C9)Br
InChI: InChI=1S/C42H28BrCl2F3N4O5/c43-23-8-12-25(13-9-23)51-37(54)28-15-14-27-29(33(28)39(51)56)18-30-38(55)52(50-36-31(45)17-22(19-49-36)42(46,47)48)40(57)41(30,21-6-10-24(44)11-7-21)35(27)34-26-4-2-1-3-20(26)5-16-32(34)53/h1-14,16-17,19,28-30,33,35,53H,15,18H2,(H,49,50)/t28-,29+,30-,33-,35+,41+/m0/s1
SMILES: CCOC(=O)/C=C(\C(=O)OCC)/O[C@H]\1[C@@H]2[C@H](O/C1=C\I)OC(O2)(C)C
InChI: InChI=1S/C16H21IO8/c1-5-20-11(18)7-9(14(19)21-6-2)22-12-10(8-17)23-15-13(12)24-16(3,4)25-15/h7-8,12-13,15H,5-6H2,1-4H3/b9-7+,10-8-/t12-,13-,15-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3C(=NC4=CC=CC=C4N2C(=O)CCC(=O)O)C[C@@H](CC3=O)C5=CC=CC=C5
InChI: InChI=1S/C30H28N2O4/c1-19-11-13-21(14-12-19)30-29-24(17-22(18-26(29)33)20-7-3-2-4-8-20)31-23-9-5-6-10-25(23)32(30)27(34)15-16-28(35)36/h2-14,22,29-30H,15-18H2,1H3,(H,35,36)/t22-,29-,30+/m0/s1
SMILES: CC1=NC2=C(N=CN=C2N1[C@@H]3[C@@H]4C[C@@H]5[C@H]3OC[C@@]5(C4)CO)N
InChI: InChI=1S/C15H19N5O2/c1-7-19-10-13(16)17-6-18-14(10)20(7)11-8-2-9-12(11)22-5-15(9,3-8)4-21/h6,8-9,11-12,21H,2-5H2,1H3,(H2,16,17,18)/t8-,9-,11-,12-,15-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4C[C@H]([C@H](C[C@@H]4C3=O)Br)Br
InChI: InChI=1S/C24H21Br2NO5/c1-13-5-7-14(8-6-13)21(28)12-32-24(31)15-3-2-4-16(9-15)27-22(29)17-10-19(25)20(26)11-18(17)23(27)30/h2-9,17-20H,10-12H2,1H3/t17-,18-,19-,20+/m0/s1
SMILES: CCOC(=O)C1=CC2=C3C(=C1)[C@H]4C=CC[C@H]4[C@@H](N3C[C@@H]5[C@@H]2C=CC5)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C27H26ClNO2/c1-2-31-27(30)18-13-23-20-6-3-5-17(20)15-29-25(16-9-11-19(28)12-10-16)22-8-4-7-21(22)24(14-18)26(23)29/h3-4,6-7,9-14,17,20-22,25H,2,5,8,15H2,1H3/t17-,20+,21+,22-,25+/m1/s1
SMILES: CC[C@@H](CO)[NH2+][C@@H]1C[C@@H]([NH+](C[C@@H]1C)C)C
InChI: InChI=1S/C12H26N2O/c1-5-11(8-15)13-12-6-10(3)14(4)7-9(12)2/h9-13,15H,5-8H2,1-4H3/p+2/t9-,10-,11-,12+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)CC2=CC=C(C=C2)F
InChI: InChI=1S/C18H24FNO3/c1-12-4-3-5-16(13(12)2)20-17(21)11-23-18(22)10-14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,21)/t12-,13-,16-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC
InChI: InChI=1S/C21H34N2O3/c1-16-7-5-6-8-18(16)23-13-11-22(12-14-23)15-17-9-10-19(24-2)21(26-4)20(17)25-3/h9-10,16,18H,5-8,11-15H2,1-4H3/t16-,18-/m1/s1
SMILES: COC1=CC(=CC(=C1)NC(=S)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C=C)OC
InChI: InChI=1S/C19H27N3O2S/c1-4-13-12-22-6-5-14(13)7-16(22)11-20-19(25)21-15-8-17(23-2)10-18(9-15)24-3/h4,8-10,13-14,16H,1,5-7,11-12H2,2-3H3,(H2,20,21,25)/t13-,14-,16+/m0/s1
SMILES: CC(=C)[C@H]1C[C@@]23[C@@](O2)([C@@H]4[C@@](O4)(O3)[C@@H]([C@H]5C=C([C@@H]([C@@H]1O)O)C(=O)O5)C(=C)C)C(=O)OC
InChI: InChI=1S/C21H24O9/c1-8(2)11-7-19-20(29-19,18(25)26-5)17-21(28-17,30-19)13(9(3)4)12-6-10(16(24)27-12)14(22)15(11)23/h6,11-15,17,22-23H,1,3,7H2,2,4-5H3/t11-,12-,13-,14+,15-,17-,19-,20-,21+/m1/s1
SMILES: CCC[C@@H]1[C@H](C=C(C=[N+]1CC2=CC=CC=C2)CC)CC.[Cl-]
InChI: InChI=1S/C19H28N.ClH/c1-4-10-19-18(6-3)13-16(5-2)14-20(19)15-17-11-8-7-9-12-17;/h7-9,11-14,18-19H,4-6,10,15H2,1-3H3;1H/q+1;/p-1/t18-,19+;/m0./s1
SMILES: CC1=C(C(=CC=C1)[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)CCCCCC(=O)O)O
InChI: InChI=1S/C33H27Cl2F5N2O7/c1-13-6-5-7-16(27(13)45)20-14-9-10-15-19(29(47)41(28(15)46)11-4-2-3-8-18(43)44)17(14)12-32(34)30(48)42(31(49)33(20,32)35)26-24(39)22(37)21(36)23(38)25(26)40/h5-7,9,15,17,19-20,45H,2-4,8,10-12H2,1H3,(H,43,44)/t15-,17+,19-,20+,32+,33-/m0/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2C3=C(C=C(C=C3)OC)OC)(C)C(=O)OCC
InChI: InChI=1S/C20H26N2O6/c1-6-22-17(23)14-15(18(22)24)20(3,19(25)28-7-2)21-16(14)12-9-8-11(26-4)10-13(12)27-5/h8-10,14-16,21H,6-7H2,1-5H3/p+1/t14-,15-,16-,20+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3[C@H]4[C@@H]3C=C(C4)C5=CC=C(C=C5)N6C[C@@H](OC6=O)CN7C=CN=N7
InChI: InChI=1S/C35H38N4O3Si/c1-35(2,3)43(29-10-6-4-7-11-29,30-12-8-5-9-13-30)41-24-33-31-20-26(21-32(31)33)25-14-16-27(17-15-25)39-23-28(42-34(39)40)22-38-19-18-36-37-38/h4-20,28,31-33H,21-24H2,1-3H3/t28-,31-,32+,33+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC[C@@H]4[C@@H]([C@@H]5[C@H](O4)OC(O5)(C)C)OCC=C)C
InChI: InChI=1S/C23H36O10/c1-8-9-24-14-12(27-19-17(14)30-22(4,5)32-19)10-25-16-15(13-11-26-21(2,3)29-13)28-20-18(16)31-23(6,7)33-20/h8,12-20H,1,9-11H2,2-7H3/t12-,13-,14+,15-,16+,17-,18-,19-,20-/m1/s1
SMILES: C1[C@H](O[C@H]([C@@H]1N=[N+]=[N-])N2C=NC3=C(N=CN=C32)N)CO
InChI: InChI=1S/C10H12N8O2/c11-8-7-9(14-3-13-8)18(4-15-7)10-6(16-17-12)1-5(2-19)20-10/h3-6,10,19H,1-2H2,(H2,11,13,14)/t5-,6+,10+/m0/s1
SMILES: CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(=O)CC[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)SC[C@@H]6CCOC6=O)C)O)F)C)F
InChI: InChI=1S/C28H38F2O6S/c1-4-5-23-35-22-12-17-18-11-20(29)19-10-16(31)6-8-25(19,2)27(18,30)21(32)13-26(17,3)28(22,36-23)37-14-15-7-9-34-24(15)33/h10,15,17-18,20-23,32H,4-9,11-14H2,1-3H3/t15-,17-,18-,20-,21-,22+,23+,25-,26-,27-,28-/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)C3=C2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C24H36O4/c1-14(4-9-21(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)22(17)20(26)13-24(18,19)3/h14-16,18-19,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,18-,19+,23+,24-/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]13CC(OC3=O)C4=COC=C4)CCC(=O)[C@@]2(CCl)O)COC(=O)C)OC(=O)C
InChI: InChI=1S/C24H29ClO9/c1-13-8-20(33-15(3)27)23(12-32-14(2)26)18(4-5-19(28)24(23,30)11-25)22(13)9-17(34-21(22)29)16-6-7-31-10-16/h6-7,10,13,17-18,20,30H,4-5,8-9,11-12H2,1-3H3/t13-,17?,18-,20+,22-,23+,24-/m1/s1
SMILES: CC1=C(C2=C(C=C1)[C@]3([C@H]4[C@@H]([C@@H]([NH2+]3)CC(=O)N)C(=O)N(C4=O)C5=C(C6=C(S5)CCCC6)C#N)C(=O)N2)C
InChI: InChI=1S/C26H25N5O4S/c1-11-7-8-15-21(12(11)2)29-25(35)26(15)20-19(16(30-26)9-18(28)32)22(33)31(23(20)34)24-14(10-27)13-5-3-4-6-17(13)36-24/h7-8,16,19-20,30H,3-6,9H2,1-2H3,(H2,28,32)(H,29,35)/p+1/t16-,19+,20-,26-/m0/s1
SMILES: CC(=O)OCC(=O)C12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC6(O2)CCC(CC6)C(=O)OCOC(=O)C(C)(C)C
InChI: InChI=1S/C36H47FO11/c1-20(38)44-18-27(41)36-28(47-34(48-36)13-9-21(10-14-34)29(42)45-19-46-30(43)31(2,3)4)16-25-24-8-7-22-15-23(39)11-12-32(22,5)35(24,37)26(40)17-33(25,36)6/h11-12,15,21,24-26,28,40H,7-10,13-14,16-19H2,1-6H3/t21?,24-,25-,26-,28+,32-,33-,34?,35-,36?/m0/s1
SMILES: CCO[C@H]1C=C2[C@H]([C@@H]3[C@H]1C(=O)OC3=O)OCC4=CC=CC=C42
InChI: InChI=1S/C17H16O5/c1-2-20-12-7-11-10-6-4-3-5-9(10)8-21-15(11)14-13(12)16(18)22-17(14)19/h3-7,12-15H,2,8H2,1H3/t12-,13-,14-,15+/m0/s1
SMILES: COC1=CC=CC2=C1OC(=C2)C(=O)N(C[C@H]3CCCO3)[C@@H]4CC(=C[C@@H]([C@H]4O)OC5=C(C=C(C=C5I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C32H37IN2O10/c1-41-24-7-3-5-19-14-27(45-29(19)24)32(40)35(16-21-6-4-10-43-21)23-13-20(31(39)34-8-9-36)15-25(28(23)38)44-30-22(33)11-18(17-37)12-26(30)42-2/h3,5,7,11-12,14-15,21,23,25,28,36-38H,4,6,8-10,13,16-17H2,1-2H3,(H,34,39)/t21-,23-,25+,28+/m1/s1
SMILES: C[C@@H]1[C@H](C=CC2=CC[C@@H]3[C@H]([C@@]12C)[C@@]3(C)C(=O)O)O
InChI: InChI=1S/C15H20O3/c1-8-11(16)7-5-9-4-6-10-12(14(8,9)2)15(10,3)13(17)18/h4-5,7-8,10-12,16H,6H2,1-3H3,(H,17,18)/t8-,10-,11+,12-,14+,15+/m1/s1
SMILES: CCNC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@@H]3O[C@@H]([C@@H]([C@@H](O3)C4=CC=C(C=C4)CO)C)CN5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C39H45N5O6/c1-3-40-39(46)41-24-32-6-4-5-7-35(32)29-12-14-31(15-13-29)38-49-36(27(2)37(50-38)30-10-8-28(26-45)9-11-30)25-42-20-22-43(23-21-42)33-16-18-34(19-17-33)44(47)48/h4-19,27,36-38,45H,3,20-26H2,1-2H3,(H2,40,41,46)/t27-,36+,37+,38+/m0/s1
SMILES: CC(=O)OCC(=C)C[C@@H]([C@H]1[C@@H]([C@H]1NC(=O)OC(C)(C)C)C(=O)OC)O
InChI: InChI=1S/C17H27NO7/c1-9(8-24-10(2)19)7-11(20)12-13(15(21)23-6)14(12)18-16(22)25-17(3,4)5/h11-14,20H,1,7-8H2,2-6H3,(H,18,22)/t11-,12-,13-,14-/m0/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)[NH2+][C@@H]2[C@@H](C)O
InChI: InChI=1S/C19H22ClN3O4/c1-4-8(2)23-16(25)12-13(17(23)26)19(22-14(12)9(3)24)10-6-5-7-11(20)15(10)21-18(19)27/h5-9,12-14,22,24H,4H2,1-3H3,(H,21,27)/p+1/t8-,9+,12-,13-,14+,19-/m0/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=C(C=CC(=C7)OC)O)C(=O)N(C5=O)C(=O)OC
InChI: InChI=1S/C36H33N3O8/c1-19-9-11-21(12-10-19)37-39-32(42)27-18-25-23(14-15-24-29(25)33(43)38(31(24)41)35(45)47-3)30(26-17-22(46-2)13-16-28(26)40)36(27,34(39)44)20-7-5-4-6-8-20/h4-14,16-17,24-25,27,29-30,37,40H,15,18H2,1-3H3/t24-,25+,27-,29-,30+,36+/m0/s1
SMILES: CC1(O[C@H]2[C@H](N(C(=O)N([C@@H]([C@@H]2O1)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6)C
InChI: InChI=1S/C36H38N2O3/c1-36(2)40-33-31(23-27-15-7-3-8-16-27)37(25-29-19-11-5-12-20-29)35(39)38(26-30-21-13-6-14-22-30)32(34(33)41-36)24-28-17-9-4-10-18-28/h3-22,31-34H,23-26H2,1-2H3/t31-,32-,33+,34+/m1/s1
SMILES: C[C@]1([C@@](O[C@H]([C@@H](O1)C(=O)OC)C(=O)OC)(C)OC)OC
InChI: InChI=1S/C12H20O8/c1-11(17-5)12(2,18-6)20-8(10(14)16-4)7(19-11)9(13)15-3/h7-8H,1-6H3/t7-,8-,11+,12+/m1/s1
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@]45[C@@]2(C(=O)OC4)OC(O5)(C)C)CCC6=CC(=O)C=C[C@@]63C)F)O
InChI: InChI=1S/C24H29FO6/c1-19(2)30-22-10-16-15-6-5-13-9-14(26)7-8-20(13,3)23(15,25)17(27)11-21(16,4)24(22,31-19)18(28)29-12-22/h7-9,15-17,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,20-,21-,22-,23-,24-/m0/s1
SMILES: C[C@@]12CC[C@H](C[C@H]1CC[C@H]3[C@@H]2C[C@@H]([C@]4([C@@]3(CC[C@H]4C5=CC(=O)OC5)O)C)O)O
InChI: InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15-,16+,17+,18+,19+,21-,22+,23+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O
InChI: InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18-,19+,20?,21?,22?,24+,25-,26+,27+,28+,29-,30+/m1/s1
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)CO)O)O)C
InChI: InChI=1S/C28H48O4/c1-17(2)18(3)6-7-19(4)22-8-9-23-21-14-25(31)28(32)15-20(30)10-13-27(28,16-29)24(21)11-12-26(22,23)5/h17,19-25,29-32H,3,6-16H2,1-2,4-5H3/t19-,20+,21+,22-,23+,24+,25-,26-,27+,28+/m1/s1
SMILES: C1C[NH+]2CC3=CCO[C@@H]4CC(=O)N5[C@@H]6[C@@H]4[C@@H]3C[C@@H]2[C@]61C7=C5C=CC(=C7)N
InChI: InChI=1S/C21H23N3O2/c22-12-1-2-15-14(7-12)21-4-5-23-10-11-3-6-26-16-9-18(25)24(15)20(21)19(16)13(11)8-17(21)23/h1-3,7,13,16-17,19-20H,4-6,8-10,22H2/p+1/t13-,16-,17-,19-,20-,21+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3CC=C(C4)O
InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,14-16,19H,2,4-10H2,1H3/t14-,15-,16+,18+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)SC2=CC=CC=C2)COC(=O)C3=CC=CC=C3C(=O)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC)CO)O)O
InChI: InChI=1S/C33H38O16S/c1-16(35)44-26-23(48-33(50-19-10-6-5-7-11-19)29(46-18(3)37)28(26)45-17(2)36)15-43-30(40)20-12-8-9-13-21(20)31(41)49-27-25(39)24(38)22(14-34)47-32(27)42-4/h5-13,22-29,32-34,38-39H,14-15H2,1-4H3/t22-,23-,24-,25+,26-,27+,28+,29+,32+,33-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]2C3=C(C(=CC=C3)OC)O[C@@]1(N(C(=S)N2)C4=CC(=CC=C4)Cl)C
InChI: InChI=1S/C21H21ClN2O4S/c1-4-27-19(25)16-17-14-9-6-10-15(26-3)18(14)28-21(16,2)24(20(29)23-17)13-8-5-7-12(22)11-13/h5-11,16-17H,4H2,1-3H3,(H,23,29)/t16-,17+,21-/m0/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C
InChI: InChI=1S/C20H24N2O5/c1-12-7-8-16(13(2)9-12)21-17(23)11-27-18(24)10-22-19(25)14-5-3-4-6-15(14)20(22)26/h7-9,14-15H,3-6,10-11H2,1-2H3,(H,21,23)/t14-,15+
SMILES: C1=CC=C(C=C1)N2C(=O)N([C@]34[C@]2(C5=CC=CC=C5C6=CC=CC=C63)N=[N+]([N-]4)C7=CC=C(C=C7)Br)C8=CC=C(C=C8)Br
InChI: InChI=1S/C33H21Br2N5O/c34-22-14-18-25(19-15-22)39-31(41)38(24-8-2-1-3-9-24)32-29-12-6-4-10-27(29)28-11-5-7-13-30(28)33(32,39)37-40(36-32)26-20-16-23(35)17-21-26/h1-21H/t32-,33+/m1/s1
SMILES: COC(=O)[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H20O4/c1-23-19(21)17-15(13-9-5-3-6-10-13)16(18(17)20(22)24-2)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16+,17+,18-
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C16H16ClNO3/c1-8-2-5-11(17)7-12(8)18-15(19)13-9-3-4-10(6-9)14(13)16(20)21/h2-5,7,9-10,13-14H,6H2,1H3,(H,18,19)(H,20,21)/t9-,10+,13-,14+/m1/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3)OC
InChI: InChI=1S/C17H19NO5/c1-22-11-5-6-12(13(8-11)23-2)18-16(19)14-9-3-4-10(7-9)15(14)17(20)21/h3-6,8-10,14-15H,7H2,1-2H3,(H,18,19)(H,20,21)/t9-,10+,14+,15+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@](C1)(C[C@@H]2C[C@@H](C[C@@H](O2)CCC3=CC=CC=C3)Br)O)C(C)C
InChI: InChI=1S/C24H37BrO2/c1-17(2)23-12-9-18(3)15-24(23,26)16-22-14-20(25)13-21(27-22)11-10-19-7-5-4-6-8-19/h4-8,17-18,20-23,26H,9-16H2,1-3H3/t18-,20-,21+,22+,23+,24+/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@@]2([C@H]([C@H]([C@@H]([C@H](O2)COCC=C)OCC=C)OCC=C)OCC=C)C3=CC=CO3
InChI: InChI=1S/C35H48O15/c1-9-15-40-20-26-28(42-16-10-2)31(43-17-11-3)33(44-18-12-4)35(50-26,27-14-13-19-41-27)45-21-25-29(46-22(5)36)30(47-23(6)37)32(48-24(7)38)34(39-8)49-25/h9-14,19,25-26,28-34H,1-4,15-18,20-21H2,5-8H3/t25-,26-,28-,29-,30+,31+,32-,33+,34+,35+/m1/s1
SMILES: CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H](N1)CC2(C)C
InChI: InChI=1S/C17H22BrN/c1-10(2)8-13-16-15-11(6-5-7-12(15)18)14(19-13)9-17(16,3)4/h5-7,13-14,16,19H,1,8-9H2,2-4H3/t13-,14-,16-/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)OC)CN=[N+]=[N-])O
InChI: InChI=1S/C9H17N3O5/c1-14-7-6(13)5(4-11-12-10)17-9(16-3)8(7)15-2/h5-9,13H,4H2,1-3H3/t5-,6-,7+,8-,9+/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)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CN5CC[C@@H](C5)O
InChI: InChI=1S/C30H29F5N2O5/c1-15-21(13-37-10-9-20(39)12-37)41-30(42-28(15)17-7-5-16(14-38)6-8-17)18-3-2-4-19(11-18)36-29(40)22-23(31)25(33)27(35)26(34)24(22)32/h2-8,11,15,20-21,28,30,38-39H,9-10,12-14H2,1H3,(H,36,40)/t15-,20-,21+,28+,30+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)[C@@H]([C@H](C5=CC=CC6=CC=CC=C65)O)O
InChI: InChI=1S/C33H44O4/c1-19(30(36)31(37)23-10-6-8-20-7-4-5-9-22(20)23)25-11-12-26-24-18-29(35)28-17-21(34)13-15-33(28,3)27(24)14-16-32(25,26)2/h4-10,19,21,24-28,30-31,34,36-37H,11-18H2,1-3H3/t19-,21+,24-,25+,26-,27-,28+,30-,31-,32+,33+/m0/s1
SMILES: CC1=C2CC(=O)[C@@]3(CCC=C([C@@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O[Si](C)(C)C(C)(C)C)O)OC(=O)C4(C=CCC=C4)C)OC)C
InChI: InChI=1S/C34H52O6Si/c1-22-23-20-26(35)33(8)19-15-16-24(38-9)27(33)28(39-29(36)32(7)17-13-12-14-18-32)34(37,31(23,5)6)21-25(22)40-41(10,11)30(2,3)4/h13-14,16-18,25,27-28,37H,12,15,19-21H2,1-11H3/t25-,27+,28-,33-,34+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)N/N=C(/C)\C2=CC(=CC=C2)NC(=O)C
InChI: InChI=1S/C18H26N4OS/c1-12-7-4-5-10-17(12)20-18(24)22-21-13(2)15-8-6-9-16(11-15)19-14(3)23/h6,8-9,11-12,17H,4-5,7,10H2,1-3H3,(H,19,23)(H2,20,22,24)/b21-13-/t12-,17-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)C[C@H]2[C@@H]([C@@](CO2)(COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O)O
InChI: InChI=1S/C32H34N2O8/c1-21-17-34(30(37)33-29(21)36)18-27-28(35)31(38,19-41-27)20-42-32(22-7-5-4-6-8-22,23-9-13-25(39-2)14-10-23)24-11-15-26(40-3)16-12-24/h4-17,27-28,35,38H,18-20H2,1-3H3,(H,33,36,37)/t27-,28-,31+/m0/s1
SMILES: CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC5CCCCO5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CCOCCO)C(=O)C7CC7)OCC=C)C
InChI: InChI=1S/C48H66N2O10/c1-4-24-57-48-43(50(20-26-55-27-23-53)47(54)34-15-16-34)31-41(49-60-44-13-7-10-25-56-44)39-29-35(11-5-8-21-51)38(12-6-9-22-52)45(46(39)48)40-30-37(18-19-42(40)59-48)58-36-17-14-32(2)33(3)28-36/h4,14,17-19,28-30,34-35,38,43-46,51-53H,1,5-13,15-16,20-27,31H2,2-3H3/t35-,38+,43-,44?,45+,46+,48+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@H](C(=O)CC1=O)C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,21H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+/m0/s1
SMILES: CC[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)[C@H]3C[C@@H]3C4=CC=CC=C4
InChI: InChI=1S/C21H22N2OS/c1-2-13-8-9-15-18(12-22)21(25-19(15)10-13)23-20(24)17-11-16(17)14-6-4-3-5-7-14/h3-7,13,16-17H,2,8-11H2,1H3,(H,23,24)/t13-,16+,17-/m0/s1
SMILES: CCOC1(C2=CC=CC=C2OC3=CC=CC=C31)C4=NC=CN=C4S[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C53H50N2O7S/c1-2-60-53(42-27-15-17-29-44(42)61-45-30-18-16-28-43(45)53)50-51(55-32-31-54-50)63-52-49(59-36-41-25-13-6-14-26-41)48(58-35-40-23-11-5-12-24-40)47(57-34-39-21-9-4-10-22-39)46(62-52)37-56-33-38-19-7-3-8-20-38/h3-32,46-49,52H,2,33-37H2,1H3/t46-,47-,48+,49-,52+/m1/s1
SMILES: CCOC(=O)N/N=C/1\C[C@H]([C@H]([C@H]2[C@H]1CC[C@@H]3[C@H]2C(=O)N(C3=O)C4CCCCC4)O)O
InChI: InChI=1S/C21H31N3O6/c1-2-30-21(29)23-22-14-10-15(25)18(26)16-12(14)8-9-13-17(16)20(28)24(19(13)27)11-6-4-3-5-7-11/h11-13,15-18,25-26H,2-10H2,1H3,(H,23,29)/b22-14+/t12-,13+,15+,16-,17+,18+/m0/s1
SMILES: CC[C@@H]1[C@H](N(COC1=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C16H27NO6/c1-8-10-11(13(19)22-15(2,3)4)17(9-21-12(10)18)14(20)23-16(5,6)7/h10-11H,8-9H2,1-7H3/t10-,11+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CSC(=N4)C(C5=CC=CC=C5)C6=CN=CC=C6
InChI: InChI=1S/C35H33N5O7S/c1-35(2,3)47-34(43)38-29-27-16-15-25(30(39(27)32(29)41)33(42)46-19-21-11-13-24(14-12-21)40(44)45)26-20-48-31(37-26)28(22-8-5-4-6-9-22)23-10-7-17-36-18-23/h4-14,17-18,20,27-29H,15-16,19H2,1-3H3,(H,38,43)/t27-,28?,29+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC(=O)NCC(C)C
InChI: InChI=1S/C17H26N4O5/c1-10(2)8-18-16(25)19-13(22)9-20-14(23)15(24)21(17(20)26)12-7-5-4-6-11(12)3/h10-12H,4-9H2,1-3H3,(H2,18,19,22,25)/t11-,12-/m0/s1
SMILES: CC1=CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)NC(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C16H15ClN2O3/c1-9-2-7-12-13(8-9)16(22)19(15(12)21)18-14(20)10-3-5-11(17)6-4-10/h2-6,12-13H,7-8H2,1H3,(H,18,20)/t12-,13-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](/C=N/N)[C@@H]([C@@H](CO)O)O)O)O)O)O
InChI: InChI=1S/C11H22N2O9/c12-13-1-5(7(17)4(16)2-14)21-11-10(20)9(19)8(18)6(3-15)22-11/h1,4-11,14-20H,2-3,12H2/b13-1+/t4-,5-,6-,7-,8-,9+,10-,11+/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OC(O3)(C)C)[C@@H]4[C@@H]5[C@H]([C@@H](O4)CO)OC(O5)(C)C
InChI: InChI=1S/C23H32O10S/c1-6-27-21(26)10-7-13(16-17-14(11(8-24)28-16)30-22(2,3)32-17)34-20(10)19-18-15(12(9-25)29-19)31-23(4,5)33-18/h7,11-12,14-19,24-25H,6,8-9H2,1-5H3/t11-,12+,14-,15+,16+,17-,18+,19+/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@H]([C@H]3[C@@H]([C@H]2O1)O3)O)O)C
InChI: InChI=1S/C9H14O5/c1-9(2)13-6-4(11)3(10)5-7(12-5)8(6)14-9/h3-8,10-11H,1-2H3/t3-,4-,5+,6+,7+,8+/m1/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=N\NC(=O)CC3=CSC(=N3)C4=CC=C(C=C4)F
InChI: InChI=1S/C20H18FN3O2S/c1-12-8-17(12)18-7-6-16(26-18)10-22-24-19(25)9-15-11-27-20(23-15)13-2-4-14(21)5-3-13/h2-7,10-12,17H,8-9H2,1H3,(H,24,25)/b22-10-/t12-,17+/m0/s1
SMILES: C1CCC(C1)(CC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)C5=CC=CC=C5)CC(=O)O
InChI: InChI=1S/C22H27N5O5/c28-17(10-22(11-18(29)30)8-4-5-9-22)23-15-12-31-20-16(13-32-19(15)20)27-21(24-25-26-27)14-6-2-1-3-7-14/h1-3,6-7,15-16,19-20H,4-5,8-13H2,(H,23,28)(H,29,30)/t15-,16-,19+,20+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@@H]2NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NC4=CC=CC=C4
InChI: InChI=1S/C20H21ClN2O3S/c21-17-9-8-15(20(24)22-18-11-13-6-7-14(18)10-13)12-19(17)27(25,26)23-16-4-2-1-3-5-16/h1-5,8-9,12-14,18,23H,6-7,10-11H2,(H,22,24)/t13-,14+,18+/m1/s1
SMILES: C1CC[C@H]([C@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N
InChI: InChI=1S/C23H21N3O3S/c24-13-15-9-11-16(12-10-15)25-21(27)14-29-23(28)18-6-2-1-5-17(18)22-26-19-7-3-4-8-20(19)30-22/h3-4,7-12,17-18H,1-2,5-6,14H2,(H,25,27)/t17-,18+/m0/s1
SMILES: C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C32H39N3O3/c1-24-22-35(17-16-32(24,2)28-14-9-15-29(36)19-28)23-27(18-25-10-5-3-6-11-25)31(38)34-21-30(37)33-20-26-12-7-4-8-13-26/h3-15,19,24,27,36H,16-18,20-23H2,1-2H3,(H,33,37)(H,34,38)/t24-,27?,32+/m0/s1
SMILES: C1=CC=C2[C@H]3C([C@H]([C@@H]([NH+]3C=CC2=C1)C(=O)C4=CC=C(C=C4)Cl)C5=CC=CC6=CC=CC=C65)(C#N)C#N
InChI: InChI=1S/C31H20ClN3O/c32-23-14-12-22(13-15-23)29(36)28-27(26-11-5-8-20-6-1-3-9-24(20)26)31(18-33,19-34)30-25-10-4-2-7-21(25)16-17-35(28)30/h1-17,27-28,30H/p+1/t27-,28+,30-/m0/s1