EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CO/N=C(/C1=CSC(=N1)NC(=O)CCl)\C(=O)N[C@@H]2[C@@H](NC2=O)COC(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H18ClN5O6S/c1-30-25-15(12-9-32-19(22-12)23-13(26)7-20)17(28)24-14-11(21-16(14)27)8-31-18(29)10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3,(H,21,27)(H,24,28)(H,22,23,26)/b25-15-/t11-,14+/m0/s1
SMILES: C[C@@H](C(=O)NC1=CC=CC(=C1)C2O[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CSC5=CC=CC=[N+]5[O-])OC(=O)C
InChI: InChI=1S/C34H34N2O7S/c1-22(41-23(2)38)33(39)35-28-12-8-11-27(19-28)34-42-29(21-44-30-13-6-7-18-36(30)40)31(25-9-4-3-5-10-25)32(43-34)26-16-14-24(20-37)15-17-26/h3-19,22,29,31-32,34,37H,20-21H2,1-2H3,(H,35,39)/t22-,29+,31+,32-,34?/m0/s1
SMILES: CC(=C)C(CCC(=C)[C@H]1CC[C@@]2([C@@H]1CC[C@H]3[C@]2(CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
InChI: InChI=1S/C30H48O2/c1-19(2)23(31)11-9-20(3)21-13-17-29(7)22(21)10-12-25-28(6)16-15-26(32)27(4,5)24(28)14-18-30(25,29)8/h21-25,31H,1,3,9-18H2,2,4-8H3/t21-,22-,23?,24?,25-,28+,29-,30-/m1/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@H](O1)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])O)O)O
InChI: InChI=1S/C11H13ClN2O6/c12-5-1-2-6(7(3-5)14(18)19)13-11-10(17)9(16)8(15)4-20-11/h1-3,8-11,13,15-17H,4H2/t8-,9-,10+,11+/m1/s1
SMILES: CC(C)(C)C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)C(C)(C)C
InChI: InChI=1S/C18H29NO4/c1-17(2,3)15(20)22-11-12-7-9-19-10-8-13(14(12)19)23-16(21)18(4,5)6/h7,13-14H,8-11H2,1-6H3/t13-,14+/m0/s1
SMILES: C1[C@H]([C@H](N(C(=O)N(N1CC2=CC=CC=C2)CC3=CC=C(C=C3)CO)CC4=CC=C(C=C4)CO)CC5=CC=CC=C5)O
InChI: InChI=1S/C34H37N3O4/c38-24-30-15-11-28(12-16-30)21-36-32(19-26-7-3-1-4-8-26)33(40)23-35(20-27-9-5-2-6-10-27)37(34(36)41)22-29-13-17-31(25-39)18-14-29/h1-18,32-33,38-40H,19-25H2/t32-,33-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C3=CC=CC=C3C(=O)[C@@H]1N2C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C23H27N3O6Si/c1-23(2,3)33(4,5)32-20-13-18-15-8-6-7-9-16(15)22(27)21(20)24(18)17-11-10-14(25(28)29)12-19(17)26(30)31/h6-12,18,20-21H,13H2,1-5H3/t18-,20-,21+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](C2=C(NC1=O)N(C(=O)N(C2=O)C)C)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H18ClN3O5/c1-4-27-17(25)13-11(9-5-7-10(19)8-6-9)12-14(20-15(13)23)21(2)18(26)22(3)16(12)24/h5-8,11,13H,4H2,1-3H3,(H,20,23)/t11-,13+/m1/s1
SMILES: C[C@@H]1CC(=C[C@H]([C@@H]1C[NH2+]CC[NH+]2CC[NH2+]CC2)C)C
InChI: InChI=1S/C16H31N3/c1-13-10-14(2)16(15(3)11-13)12-18-6-9-19-7-4-17-5-8-19/h10,14-18H,4-9,11-12H2,1-3H3/p+3/t14-,15-,16+/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CCC2[C@@]1(CCC3C2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)NCCN)C)O)C
InChI: InChI=1S/C27H48N2O3/c1-17(5-8-24(31)32-4)20-6-7-21-25-22(10-12-27(20,21)3)26(2)11-9-19(29-14-13-28)15-18(26)16-23(25)30/h17-23,25,29-30H,5-16,28H2,1-4H3/t17-,18-,19+,20-,21?,22?,23-,25?,26+,27-/m1/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@]1(CC(=O)[C@@H]3[C@@H]2CC[C@@]4([C@@]3(CCC(=O)C4)C)C)C)O
InChI: InChI=1S/C22H32O4/c1-13(23)22(26)10-7-16-15-6-8-19(2)11-14(24)5-9-20(19,3)18(15)17(25)12-21(16,22)4/h15-16,18,26H,5-12H2,1-4H3/t15-,16+,18+,19+,20-,21-,22+/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)C(C4=CC=CC=C4)Br)C
InChI: InChI=1S/C20H25BrO7/c1-19(2)23-10-12(26-19)14-15(16-18(25-14)28-20(3,4)27-16)24-17(22)13(21)11-8-6-5-7-9-11/h5-9,12-16,18H,10H2,1-4H3/t12-,13?,14-,15+,16-,18-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2C[C@H]3C[C@H]4C=C[C@@]3(C2)O4
InChI: InChI=1S/C18H29NO2/c1-12-4-5-15(16(20)8-12)17(2,3)19-10-13-9-14-6-7-18(13,11-19)21-14/h6-7,12-16,20H,4-5,8-11H2,1-3H3/t12-,13-,14-,15-,16-,18+/m1/s1
SMILES: COC1=CC2=C(C=C1)C(=O)N3CC[C@]45[C@H]3[C@H]2C[C@H](C4)OC5=O
InChI: InChI=1S/C17H17NO4/c1-21-9-2-3-11-12(6-9)13-7-10-8-17(16(20)22-10)4-5-18(14(13)17)15(11)19/h2-3,6,10,13-14H,4-5,7-8H2,1H3/t10-,13+,14-,17-/m1/s1
SMILES: C[C@]1([C@@](O[C@H]2[C@H](O1)[C@H]([C@@H]3[C@]([C@H]2OCO3)(CO)O)O[Si](C)(C)C(C)(C)C)(C)OC)OC
InChI: InChI=1S/C20H38O9Si/c1-17(2,3)30(8,9)29-14-12-13(15-20(22,10-21)16(14)26-11-25-15)28-19(5,24-7)18(4,23-6)27-12/h12-16,21-22H,10-11H2,1-9H3/t12-,13-,14+,15-,16+,18-,19-,20+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)[15NH]C2=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H40N2O5Si2/c1-20(2,3)29(7,8)26-14-16-15(28-30(9,10)21(4,5)6)13-18(27-16)23-12-11-17(24)22-19(23)25/h11-12,15-16,18H,13-14H2,1-10H3,(H,22,24,25)/t15-,16+,18+/m0/s1/i22+1
SMILES: CNC(=O)C1=CC=C(C=C1)NC(=O)CN2CC[C@@H]3CCCC[C@H]3C2
InChI: InChI=1S/C19H27N3O2/c1-20-19(24)15-6-8-17(9-7-15)21-18(23)13-22-11-10-14-4-2-3-5-16(14)12-22/h6-9,14,16H,2-5,10-13H2,1H3,(H,20,24)(H,21,23)/t14-,16-/m0/s1
SMILES: CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@H]4C5)C)OC)C
InChI: InChI=1S/C24H40O/c1-6-15(2)18-7-8-19-17-13-21(25-5)24-14-16(24)9-12-23(24,4)20(17)10-11-22(18,19)3/h15-21H,6-14H2,1-5H3/t15-,16+,17+,18-,19+,20+,21-,22-,23-,24+/m1/s1
SMILES: CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(C4=C(C(=CC(=C4)C)Cl)NC3=O)N[C@H]2[C@@H](C)O
InChI: InChI=1S/C20H24ClN3O4/c1-5-9(3)24-17(26)13-14(18(24)27)20(23-15(13)10(4)25)11-6-8(2)7-12(21)16(11)22-19(20)28/h6-7,9-10,13-15,23,25H,5H2,1-4H3,(H,22,28)/t9-,10+,13-,14-,15-,20+/m0/s1
SMILES: CC1(OC(=O)C2([C@H]([C@@H](N3[C@H]2C4=CC=CC=C4C=N3)C(=O)C5=CC=C(C=C5)F)C6=CC=CO6)C(=O)O1)C
InChI: InChI=1S/C27H21FN2O6/c1-26(2)35-24(32)27(25(33)36-26)20(19-8-5-13-34-19)21(22(31)15-9-11-17(28)12-10-15)30-23(27)18-7-4-3-6-16(18)14-29-30/h3-14,20-21,23H,1-2H3/t20-,21+,23-/m0/s1
SMILES: C[C@@H]1CC([C@@H]([C@H]1/C=C/[C@H](CCC2=CC(=C(S2)C)Br)O)C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C23H33BrO4S/c1-15-13-22(26)20(7-5-3-4-6-8-23(27)28)19(15)12-10-17(25)9-11-18-14-21(24)16(2)29-18/h3,5,10,12,14-15,17,19-20,22,25-26H,4,6-9,11,13H2,1-2H3,(H,27,28)/b5-3-,12-10+/t15-,17+,19+,20-,22?/m1/s1
SMILES: CC(=O)NC1=C(C=C2[C@H]([C@@H](C(OC2=C1)(C)C)O)N3CCCC3=O)[N+](=O)[O-]
InChI: InChI=1S/C17H21N3O6/c1-9(21)18-11-8-13-10(7-12(11)20(24)25)15(16(23)17(2,3)26-13)19-6-4-5-14(19)22/h7-8,15-16,23H,4-6H2,1-3H3,(H,18,21)/t15-,16+/m1/s1
SMILES: C1CCN2CCC[C@H]([C@H]2C1)CN=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]
InChI: InChI=1S/C19H25N3O4/c23-22(24)17-8-15(19-16(9-17)12-25-13-26-19)11-20-10-14-4-3-7-21-6-2-1-5-18(14)21/h8-9,11,14,18H,1-7,10,12-13H2/t14-,18+/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C23H28N2O3/c1-15(16-7-3-2-4-8-16)24-21(26)17-11-13-18(14-12-17)25-22(27)19-9-5-6-10-20(19)23(25)28/h2-8,15,17-20H,9-14H2,1H3,(H,24,26)/t15-,17?,18?,19-,20+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)OCC(CN3CCCCC3)O)C
InChI: InChI=1S/C17H31NO7/c1-17(2)24-15-14(13(12(21)9-19)23-16(15)25-17)22-10-11(20)8-18-6-4-3-5-7-18/h11-16,19-21H,3-10H2,1-2H3/t11?,12-,13-,14+,15-,16-/m1/s1
SMILES: CCCC[C@@H]1CN2CC(C3=CC(=C(C=C3[C@H]2C[C@H]1N)OC)OC)(C)C.Cl
InChI: InChI=1S/C21H34N2O2.ClH/c1-6-7-8-14-12-23-13-21(2,3)16-10-20(25-5)19(24-4)9-15(16)18(23)11-17(14)22;/h9-10,14,17-18H,6-8,11-13,22H2,1-5H3;1H/t14-,17-,18-;/m1./s1
SMILES: CC[C@@]1(C2=CC=CC=C2N([C@@]13C=CC4=C(O3)C=CC5=CC=CC=C54)C)C
InChI: InChI=1S/C24H23NO/c1-4-23(2)20-11-7-8-12-21(20)25(3)24(23)16-15-19-18-10-6-5-9-17(18)13-14-22(19)26-24/h5-16H,4H2,1-3H3/t23-,24-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4=CSC(=N4)NCC5=CC=CC=C5)CC[C@@H]6[C@@]3(C=CC(=O)N6C)C
InChI: InChI=1S/C29H37N3OS/c1-28-15-13-22-20(9-12-25-29(22,2)16-14-26(33)32(25)3)21(28)10-11-23(28)24-18-34-27(31-24)30-17-19-7-5-4-6-8-19/h4-8,14,16,18,20-23,25H,9-13,15,17H2,1-3H3,(H,30,31)/t20-,21-,22-,23+,25+,28-,29+/m0/s1
SMILES: C1=CC=C2C3[C@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=CC=C6Cl
InChI: InChI=1S/C24H16ClNO2/c25-17-11-5-6-12-18(17)26-23(27)21-19-13-7-1-2-8-14(13)20(22(21)24(26)28)16-10-4-3-9-15(16)19/h1-12,19-22H/t19?,20?,21-,22-/m0/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C=CC6=CC(=C(C=C6)O)OC)C7=CC=CC=C7)C8=CC(=CC=C8)Cl)(O)O
InChI: InChI=1S/C41H34BClN2O8/c1-53-35-19-23(14-18-34(35)46)13-17-32-29-15-16-30-36(39(49)44(37(30)47)27-11-5-9-25(20-27)42(51)52)31(29)22-33-38(48)45(28-12-6-10-26(43)21-28)40(50)41(32,33)24-7-3-2-4-8-24/h2-15,17-21,30-33,36,46,51-52H,16,22H2,1H3/t30-,31+,32-,33-,36-,41-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)F)F)CF
InChI: InChI=1S/C10H13F3O5/c1-4(14)16-8-6(3-11)18-10(13)7(12)9(8)17-5(2)15/h6-10H,3H2,1-2H3/t6-,7-,8-,9-,10-/m1/s1
SMILES: CCOCC(=O)N(CC1=CC=C(C=C1)F)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C26H29FN2O6/c1-2-34-15-22(31)29(14-16-7-9-17(27)10-8-16)20-13-19(26(33)28-11-12-30)23-18-5-3-4-6-21(18)35-25(23)24(20)32/h3-10,13,20,23-25,30,32H,2,11-12,14-15H2,1H3,(H,28,33)/t20-,23+,24+,25+/m1/s1
SMILES: CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@@](N(C1=O)C(=O)NCCN4CCOCC4)(C)C(=O)NCC5=CC=CC=C5)C(=O)N(C3=O)C6=CC=CC=C6
InChI: InChI=1S/C35H41N5O6/c1-3-25-26-14-15-27-28(32(43)39(30(27)41)24-12-8-5-9-13-24)29(26)35(2,33(44)37-22-23-10-6-4-7-11-23)40(31(25)42)34(45)36-16-17-38-18-20-46-21-19-38/h4-13,27-29H,3,14-22H2,1-2H3,(H,36,45)(H,37,44)/t27-,28-,29+,35+/m1/s1
SMILES: CCC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CNC(=O)C3C4=CC=CC=C4S(=O)(=O)C5=CC=CC=C35)O)F
InChI: InChI=1S/C25H24FN3O7S/c1-2-13-12-29(25(33)28-22(13)31)24-20(26)21(30)16(36-24)11-27-23(32)19-14-7-3-5-9-17(14)37(34,35)18-10-6-4-8-15(18)19/h3-10,12,16,19-21,24,30H,2,11H2,1H3,(H,27,32)(H,28,31,33)/t16-,20+,21-,24-/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@]34C)F)C
InChI: InChI=1S/C21H29FO2/c1-12(23)15-6-7-16-14-5-4-13-10-19(24)18(22)11-21(13,3)17(14)8-9-20(15,16)2/h10,14-18H,4-9,11H2,1-3H3/t14-,15+,16-,17-,18+,20+,21-/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)/C=C/[C@@H]4[C@@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)C
InChI: InChI=1S/C39H46O9/c1-38(2)45-34-30(44-37-36(35(34)46-38)47-39(3,4)48-37)21-20-29-32(41-23-27-16-10-6-11-17-27)33(42-24-28-18-12-7-13-19-28)31(43-29)25-40-22-26-14-8-5-9-15-26/h5-21,29-37H,22-25H2,1-4H3/b21-20+/t29-,30-,31-,32+,33-,34+,35+,36-,37-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)N(C)CC(=O)NC
InChI: InChI=1S/C19H31N3O5/c1-12-6-5-7-15(13(12)2)22-9-14(8-17(22)24)19(26)27-11-18(25)21(4)10-16(23)20-3/h12-15H,5-11H2,1-4H3,(H,20,23)/t12-,13-,14-,15-/m1/s1
SMILES: C1=CC=C2C(=C1)C(=C3[C@H]4[C@H](O4)[C@@H]5[C@H](C3=C2Br)O5)Br
InChI: InChI=1S/C14H8Br2O2/c15-9-5-3-1-2-4-6(5)10(16)8-7(9)11-13(17-11)14-12(8)18-14/h1-4,11-14H/t11-,12-,13-,14-/m0/s1
SMILES: CC(=O)N[C@](C)(C#N)[C@@H]1[C@H]2[C@@H]([C@H](O1)OC)OC(O2)(C)C
InChI: InChI=1S/C13H20N2O5/c1-7(16)15-13(4,6-14)10-8-9(11(17-5)18-10)20-12(2,3)19-8/h8-11H,1-5H3,(H,15,16)/t8-,9+,10+,11+,13-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2C=C(C[C@H]3[C@@H]2C(=O)OC3=O)O[Si](C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H34O14Si/c1-11(26)32-10-18-20(33-12(2)27)21(34-13(3)28)22(35-14(4)29)25(37-18)36-17-9-15(39-40(5,6)7)8-16-19(17)24(31)38-23(16)30/h9,16-22,25H,8,10H2,1-7H3/t16-,17+,18+,19-,20+,21-,22+,25+/m0/s1
SMILES: CC(C)C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCOC)[C@@]3([NH2+]1)C4=C(C=CC(=C4)F)NC3=O
InChI: InChI=1S/C20H24FN3O4/c1-10(2)8-14-15-16(18(26)24(17(15)25)6-7-28-3)20(23-14)12-9-11(21)4-5-13(12)22-19(20)27/h4-5,9-10,14-16,23H,6-8H2,1-3H3,(H,22,27)/p+1/t14-,15+,16-,20-/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)O)C)C)C)O)(C)O
InChI: InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)39(12)18-19(2)16-35(8,44)32(51-34-28(40)25(38-11)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
SMILES: C[C@@H]\1CC/C=C(/CC[C@H]2[C@@H](CC[C@@]2(/C=C1)C)C(C)(C)OC(=O)C)\C
InChI: InChI=1S/C22H36O2/c1-16-8-7-9-17(2)12-14-22(6)15-13-19(20(22)11-10-16)21(4,5)24-18(3)23/h8,12,14,17,19-20H,7,9-11,13,15H2,1-6H3/b14-12+,16-8+/t17-,19-,20+,22+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)NCC3=NN=C4N3C=CC=C4
InChI: InChI=1S/C20H27N5O2/c1-13-6-5-7-16(14(13)2)25-12-15(10-19(25)26)20(27)21-11-18-23-22-17-8-3-4-9-24(17)18/h3-4,8-9,13-16H,5-7,10-12H2,1-2H3,(H,21,27)/t13-,14-,15-,16+/m1/s1
SMILES: C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O
InChI: InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1
SMILES: CC1(OC[C@]2(O1)[C@H]([C@@H]([C@H](O2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C23H28O6/c1-22(2)27-16-23(29-22)21(26-15-18-11-7-4-8-12-18)20(19(13-24)28-23)25-14-17-9-5-3-6-10-17/h3-12,19-21,24H,13-16H2,1-2H3/t19-,20-,21+,23+/m1/s1
SMILES: CCOC(=O)C1=C(NC2=C([C@H]1C3=CC(=CC=C3)Cl)C(=O)[C@H]([C@H](C2)C)C(=O)OC)C
InChI: InChI=1S/C22H24ClNO5/c1-5-29-22(27)17-12(3)24-15-9-11(2)16(21(26)28-4)20(25)19(15)18(17)13-7-6-8-14(23)10-13/h6-8,10-11,16,18,24H,5,9H2,1-4H3/t11-,16-,18-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H](C[C@H](O1)OO)OC(=O)C)OC(=O)C
InChI: InChI=1S/C12H18O9/c1-6(13)17-5-10-12(19-8(3)15)9(18-7(2)14)4-11(20-10)21-16/h9-12,16H,4-5H2,1-3H3/t9-,10-,11-,12-/m1/s1
SMILES: C[C@@]12CCC[C@]34[C@@H]1[C@@]5(C[C@]67[C@H]3[C@H]([C@H](CC6C4N5C2)C(=C)[C@@H]7O)O)O
InChI: InChI=1S/C20H27NO3/c1-9-10-6-11-14-18-5-3-4-17(2)8-21(14)20(24,16(17)18)7-19(11,15(9)23)13(18)12(10)22/h10-16,22-24H,1,3-8H2,2H3/t10-,11?,12+,13+,14?,15+,16-,17+,18+,19-,20-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5)CN7C=NC8=CC=CC=C87
InChI: InChI=1S/C37H42N4O4/c1-23-33(20-41-22-38-31-4-2-3-5-32(31)41)44-35(45-34(23)28-8-6-24(21-42)7-9-28)29-10-12-30(13-11-29)39-36(43)40-37-17-25-14-26(18-37)16-27(15-25)19-37/h2-13,22-23,25-27,33-35,42H,14-21H2,1H3,(H2,39,40,43)/t23-,25?,26?,27?,33+,34+,35+,37?/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)S(=O)(=O)C3=C(C(=CC=C3)Cl)Cl
InChI: InChI=1S/C15H19Cl2NO2S/c16-13-6-3-7-14(15(13)17)21(19,20)18-9-8-11-4-1-2-5-12(11)10-18/h3,6-7,11-12H,1-2,4-5,8-10H2/t11-,12-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CCC(=O)OC4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C22H19NO4/c24-18(27-17-8-7-13-3-1-2-4-14(13)12-17)9-10-23-21(25)19-15-5-6-16(11-15)20(19)22(23)26/h1-8,12,15-16,19-20H,9-11H2/t15-,16+,19-,20+
SMILES: C[C@@H](C(=O)OCC1=CC=C(C=C1)C2=CC=CC=C2)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C24H25NO4/c1-16(25-22(26)20-9-5-6-10-21(20)23(25)27)24(28)29-15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-4,7-8,11-14,16,20-21H,5-6,9-10,15H2,1H3/t16-,20-,21+/m0/s1
SMILES: C[C@@]12CC=C3[C@]4([C@@]1(O2)CO[C@H](O[C@H]4CCC3(C)C)C5=CC=CC=C5)C
InChI: InChI=1S/C22H28O3/c1-19(2)12-11-17-21(4)16(19)10-13-20(3)22(21,25-20)14-23-18(24-17)15-8-6-5-7-9-15/h5-10,17-18H,11-14H2,1-4H3/t17-,18+,20+,21+,22+/m0/s1
SMILES: CC(=CC(=O)N(CC1=COC=C1)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO)C
InChI: InChI=1S/C27H31IN2O8/c1-16(2)8-24(33)30(13-17-4-7-37-15-17)21-11-19(27(35)29-5-6-31)12-22(25(21)34)38-26-20(28)9-18(14-32)10-23(26)36-3/h4,7-10,12,14-15,21-22,25,31,34H,5-6,11,13H2,1-3H3,(H,29,35)/t21-,22+,25+/m1/s1
SMILES: C1C[C@H](NC1)C(=O)NCCSCC2=C(C=CN=C2)SC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\O)/C5=C(SC(=N5)N)Cl)SC3)C(=O)O
InChI: InChI=1S/C25H27ClN8O6S4/c26-19-15(32-25(27)44-19)16(33-40)21(36)31-17-22(37)34-18(24(38)39)14(10-42-23(17)34)43-13-3-5-28-8-11(13)9-41-7-6-30-20(35)12-2-1-4-29-12/h3,5,8,12,17,23,29,40H,1-2,4,6-7,9-10H2,(H2,27,32)(H,30,35)(H,31,36)(H,38,39)/b33-16-/t12-,17+,23+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC=CC=C2OC
InChI: InChI=1S/C20H28N2O5/c1-13-8-4-6-10-16(13)22-19(24)14(2)27-18(23)12-21-20(25)15-9-5-7-11-17(15)26-3/h5,7,9,11,13-14,16H,4,6,8,10,12H2,1-3H3,(H,21,25)(H,22,24)/t13-,14+,16-/m0/s1
SMILES: CC(=O)[C@@H]1[C@@H](C(=C(C[C@@]1(C)O)NC2=CC=C(C=C2)OC)C(=O)C)C3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C24H26N2O6/c1-14(27)21-20(25-17-8-10-19(32-4)11-9-17)13-24(3,29)23(15(2)28)22(21)16-6-5-7-18(12-16)26(30)31/h5-12,22-23,25,29H,13H2,1-4H3/t22-,23-,24-/m1/s1
SMILES: C(COC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(C(=O)O)C(=O)O
InChI: InChI=1S/C11H18O10/c12-3-5-6(13)7(14)8(15)11(21-5)20-2-1-4(9(16)17)10(18)19/h4-8,11-15H,1-3H2,(H,16,17)(H,18,19)/t5-,6+,7+,8-,11?/m1/s1
SMILES: CCO[C@]1([C@H]2[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)N2[C@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)OC(=O)C)COCC5=CC=CC=C5
InChI: InChI=1S/C36H39NO10/c1-5-43-36(22-42-21-26-15-9-6-10-16-26)33-31(32(45-24(3)39)34(36)46-25(4)40)47-35(41)37(33)29(27-17-11-7-12-18-27)30(44-23(2)38)28-19-13-8-14-20-28/h6-20,29-34H,5,21-22H2,1-4H3/t29-,30+,31-,32-,33-,34-,36+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=C/C(=N/O)/CC[C@H]35
InChI: InChI=1S/C27H35NO3/c1-27-16-15-22-21-11-9-20(28-30)17-19(21)8-10-23(22)24(27)12-13-25(27)31-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25,30H,7-16H2,1H3/b28-20+/t21-,22+,23+,24-,25-,27-/m0/s1
SMILES: CCCOC1=CC=CC=C1NC(=O)O[C@@H]2[C@H](C3CCC2CC3)N(C)C.Cl
InChI: InChI=1S/C20H30N2O3.ClH/c1-4-13-24-17-8-6-5-7-16(17)21-20(23)25-19-15-11-9-14(10-12-15)18(19)22(2)3;/h5-8,14-15,18-19H,4,9-13H2,1-3H3,(H,21,23);1H/t14?,15?,18-,19-;/m0./s1
SMILES: CCCCCCCCCCCCCCCCOC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC
InChI: InChI=1S/C46H76O20/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-55-25-36(54-9)26-58-45-43(62-34(7)52)42(61-33(6)51)40(38(64-45)28-57-30(3)48)66-46-44(63-35(8)53)41(60-32(5)50)39(59-31(4)49)37(65-46)27-56-29(2)47/h36-46H,10-28H2,1-9H3/t36-,37-,38-,39+,40-,41+,42+,43-,44-,45-,46+/m1/s1
SMILES: C1CC2=CC=CC=C2C3=NN([C@@H]([C@@H]31)C4=CC=C(C=C4)F)C(=O)C5=CC=CO5
InChI: InChI=1S/C22H17FN2O2/c23-16-10-7-15(8-11-16)21-18-12-9-14-4-1-2-5-17(14)20(18)24-25(21)22(26)19-6-3-13-27-19/h1-8,10-11,13,18,21H,9,12H2/t18-,21-/m1/s1
SMILES: COC1=C(C=C(C=C1)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])OC
InChI: InChI=1S/C16H21NO5/c1-21-13-8-7-10(9-14(13)22-2)17-15(18)11-5-3-4-6-12(11)16(19)20/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20)/p-1/t11-,12+/m0/s1
SMILES: CC[C@@H]1[C@@]2(C([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@H]([C@H](C[C@H](O3)C)NCC=C)O)(C)OC)C)C)N(C(=O)O2)CCN(C)CC4=CN=CC=C4)C
InChI: InChI=1S/C41H63FN4O10/c1-12-16-44-29-20-25(4)53-36(32(29)48)55-35-27(6)34(49)40(8,42)37(50)54-30(13-2)41(9)33(26(5)31(47)24(3)21-39(35,7)52-11)46(38(51)56-41)19-18-45(10)23-28-15-14-17-43-22-28/h12,14-15,17,22,24-27,29-30,32-33,35-36,44,48H,1,13,16,18-21,23H2,2-11H3/t24-,25-,26+,27-,29+,30-,32+,33?,35-,36+,39-,40+,41-/m1/s1
SMILES: CCCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CS5
InChI: InChI=1S/C24H22N2O4S/c1-2-14-29-18-12-10-16(11-13-18)25-23(27)20-21(19-9-6-15-31-19)26(30-22(20)24(25)28)17-7-4-3-5-8-17/h3-13,15,20-22H,2,14H2,1H3/t20-,21-,22-/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@H]2[C@@H](COC(O2)C3=CC=CC=C3)O[C@H]1OC)O
InChI: InChI=1S/C16H20O7/c1-9(17)21-14-12(18)13-11(22-16(14)19-2)8-20-15(23-13)10-6-4-3-5-7-10/h3-7,11-16,18H,8H2,1-2H3/t11-,12+,13-,14+,15?,16-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)O
InChI: InChI=1S/C19H24O7/c1-4-25-17(22)15-13(21)10-19(3,24)16(18(23)26-5-2)14(15)11-6-8-12(20)9-7-11/h6-9,14-16,20,24H,4-5,10H2,1-3H3/t14-,15+,16-,19+/m1/s1
SMILES: C[C@]12C[C@H]([C@H]1CC(=N2)C3=CC=C(C=C3)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H31NO2Si/c1-19(2,3)24(6,7)23-18-13-20(4)16(18)12-17(21-20)14-8-10-15(22-5)11-9-14/h8-11,16,18H,12-13H2,1-7H3/t16-,18-,20+/m1/s1
SMILES: CN(C)[C@@]12CC(=O)[C@@]3([C@H]1CCCC3)C(=C2/C=C/C#CC4CC4)C5CC5
InChI: InChI=1S/C23H29NO/c1-24(2)23-15-20(25)22(14-6-5-9-19(22)23)21(17-12-13-17)18(23)8-4-3-7-16-10-11-16/h4,8,16-17,19H,5-6,9-15H2,1-2H3/b8-4+/t19-,22-,23-/m1/s1
SMILES: CCC(C(C)C)OC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)O
InChI: InChI=1S/C28H38F2O7/c1-7-21(14(2)3)36-24(35)37-28(23(33)34)15(4)10-17-18-12-20(29)19-11-16(31)8-9-25(19,5)27(18,30)22(32)13-26(17,28)6/h8-9,11,14-15,17-18,20-22,32H,7,10,12-13H2,1-6H3,(H,33,34)/t15-,17+,18+,20+,21?,22+,25+,26+,27+,28+/m1/s1
SMILES: C[C@@H]1CCCCN1C(=O)[C@@H](CC2=CC=CC=C2)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H30N2O3/c1-16-9-7-8-14-24(16)23(28)20(15-17-10-3-2-4-11-17)25-21(26)18-12-5-6-13-19(18)22(25)27/h2-4,10-11,16,18-20H,5-9,12-15H2,1H3/t16-,18-,19+,20-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)OC(F)(F)F
InChI: InChI=1S/C18H22F3NO4/c1-11-4-3-5-15(12(11)2)22-16(23)10-25-17(24)13-6-8-14(9-7-13)26-18(19,20)21/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,22,23)/t11-,12+,15-/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)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)/CO
InChI: InChI=1S/C27H41NO6S/c1-16-8-7-9-20(14-29)10-11-22(17(2)12-21-15-35-19(4)28-21)34-24(31)13-23(30)27(5,6)26(33)18(3)25(16)32/h10,12,15-16,18,22-23,25,29-30,32H,7-9,11,13-14H2,1-6H3/b17-12+,20-10+/t16-,18+,22-,23-,25-/m0/s1
SMILES: CC(=O)O[C@]1(CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=CC(=O)CC[C@]34C)C)C#N
InChI: InChI=1S/C22H29NO3/c1-14(24)26-22(13-23)11-8-19-17-5-4-15-12-16(25)6-9-20(15,2)18(17)7-10-21(19,22)3/h12,17-19H,4-11H2,1-3H3/t17-,18+,19+,20-,21-,22+/m0/s1
SMILES: C[Si](C)(C)CCOCOC[C@@H]1[C@@H]2C[C@@H]3[C@H]([C@H]1COCC4=CC=CC=C4)[C@](C2=C)(CC(=O)O3)O[Si](C)(C)C
InChI: InChI=1S/C29H46O6Si2/c1-21-23-15-26-28(29(21,16-27(30)34-26)35-37(5,6)7)25(19-32-17-22-11-9-8-10-12-22)24(23)18-33-20-31-13-14-36(2,3)4/h8-12,23-26,28H,1,13-20H2,2-7H3/t23-,24-,25+,26-,28+,29-/m1/s1
SMILES: CC(C)(C)[Si]1(OC[C@@H]2[C@@H](O1)COC(O2)C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C19H30O4Si/c1-18(2,3)24(19(4,5)6)21-13-15-16(23-24)12-20-17(22-15)14-10-8-7-9-11-14/h7-11,15-17H,12-13H2,1-6H3/t15-,16+,17?/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)NCCCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H40N2O6Si/c1-9-27-20(26)17-16(29-17)19(25)23-15(13-14(2)3)18(24)22-11-10-12-28-30(7,8)21(4,5)6/h14-17H,9-13H2,1-8H3,(H,22,24)(H,23,25)/t15-,16-,17-/m0/s1
SMILES: CC1([C@H](N2[C@H]([S@@]1=O)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OC)C
InChI: InChI=1S/C17H20N2O6S/c1-17(2)13(16(22)24-3)19-14(21)12(15(19)26(17)23)18-11(20)9-25-10-7-5-4-6-8-10/h4-8,12-13,15H,9H2,1-3H3,(H,18,20)/t12-,13-,15-,26+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)(C)F)C)O[C@@H]3C[C@@H](C[C@@H]([C@H]3O)N(C)C)C)(C)OCC=C)C)C)NC(=O)O2)C
InChI: InChI=1S/C34H55FN2O9/c1-12-14-43-32(7)17-19(4)25(38)20(5)27-34(9,46-31(42)36-27)24(13-2)45-30(41)33(8,35)28(40)21(6)29(32)44-23-16-18(3)15-22(26(23)39)37(10)11/h12,18-24,26-27,29,39H,1,13-17H2,2-11H3,(H,36,42)/t18-,19-,20+,21+,22+,23-,24-,26-,27-,29-,32+,33?,34-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC
InChI: InChI=1S/C20H25N3O5S/c1-11-6-3-4-9-20(11)18(26)23(19(27)22-20)10-14(24)21-16-15(17(25)28-2)12-7-5-8-13(12)29-16/h11H,3-10H2,1-2H3,(H,21,24)(H,22,27)/t11-,20+/m1/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=C4Cl
InChI: InChI=1S/C16H14ClNO2/c17-11-3-1-2-4-12(11)18-15(19)13-9-5-6-10(8-7-9)14(13)16(18)20/h1-6,9-10,13-14H,7-8H2/t9-,10+,13-,14+
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(N=C3)C4=CN=C(N=C4N)N)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C33H34N6O4/c34-31-26(16-36-33(35)38-31)27-17-39(22-37-27)32-30(42-20-25-14-8-3-9-15-25)29(41-19-24-12-6-2-7-13-24)28(43-32)21-40-18-23-10-4-1-5-11-23/h1-17,22,28-30,32H,18-21H2,(H4,34,35,36,38)/t28-,29-,30-,32-/m1/s1
SMILES: C/C(=C\C1=CC(=C(C=C1)O[C@H]2C[C@@H]([C@H](O2)/C(=N\OC3CCOC4=CC=CC=C34)/C)O)O)/C(=O)N[C@@H]5[C@@H]([C@H]([C@@H]6[C@H]([C@@H]5O)OCO6)O)O
InChI: InChI=1S/C32H38N2O12/c1-15(32(40)33-25-26(37)28(39)31-30(27(25)38)42-14-43-31)11-17-7-8-23(19(35)12-17)44-24-13-20(36)29(45-24)16(2)34-46-22-9-10-41-21-6-4-3-5-18(21)22/h3-8,11-12,20,22,24-31,35-39H,9-10,13-14H2,1-2H3,(H,33,40)/b15-11+,34-16-/t20-,22?,24+,25+,26-,27+,28+,29+,30-,31+/m0/s1
SMILES: COC1=CC=CC(=C1)NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C34CC4
InChI: InChI=1S/C18H19NO4/c1-23-11-4-2-3-10(9-11)19-16(20)14-12-5-6-13(15(14)17(21)22)18(12)7-8-18/h2-6,9,12-15H,7-8H2,1H3,(H,19,20)(H,21,22)/t12-,13+,14+,15-/m1/s1
SMILES: CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4
InChI: InChI=1S/C22H26N2O3S/c1-28(26,27)24(15-16-7-3-2-4-8-16)21-10-6-5-9-19(21)22(25)23-20-14-17-11-12-18(20)13-17/h2-10,17-18,20H,11-15H2,1H3,(H,23,25)/t17-,18-,20+/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CCC(=C)[C@H]3CO[Si](C)(C)C(C)(C)C)C)(C)C
InChI: InChI=1S/C26H48OSi/c1-19-12-13-22-25(7,20(19)18-27-28(9,10)23(2,3)4)17-14-21-24(5,6)15-11-16-26(21,22)8/h20-22H,1,11-18H2,2-10H3/t20-,21+,22+,25+,26+/m1/s1