EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
InChI: InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@]34[C@@H]2CC[C@@H]([C@H]3C=C4)C=O)(C)C
InChI: InChI=1S/C20H30O/c1-18(2)9-4-10-19(3)16(18)8-12-20-11-7-15(20)14(13-21)5-6-17(19)20/h7,11,13-17H,4-6,8-10,12H2,1-3H3/t14-,15-,16+,17-,19+,20+/m1/s1
SMILES: C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)O[C@@H](C)C(=O)NC2=CC(=C(C=C2)F)F
InChI: InChI=1S/C18H20F2N2O6/c1-9-5-16(23)12(13(9)8-22(26)27)7-17(24)28-10(2)18(25)21-11-3-4-14(19)15(20)6-11/h3-4,6,9-10,12-13H,5,7-8H2,1-2H3,(H,21,25)/t9-,10-,12+,13+/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]([C@H]1OC)CC(=C)C(=O)C[C@@H]3[C@]([C@H]2O)(C=CC3(C)C)C
InChI: InChI=1S/C21H32O3/c1-12-9-14-15(10-13(2)18(14)24-6)19(23)21(5)8-7-20(3,4)17(21)11-16(12)22/h7-8,13-15,17-19,23H,1,9-11H2,2-6H3/t13-,14+,15+,17+,18+,19+,21-/m1/s1
SMILES: COC1=C(C=C(C=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)C7=CC=CC=C7)O
InChI: InChI=1S/C33H21Cl2F5N2O6/c1-48-19-10-7-13(11-18(19)43)21-15-8-9-16-20(29(45)41(28(16)44)14-5-3-2-4-6-14)17(15)12-32(34)30(46)42(31(47)33(21,32)35)27-25(39)23(37)22(36)24(38)26(27)40/h2-8,10-11,16-17,20-21,43H,9,12H2,1H3/t16-,17+,20-,21-,32+,33-/m0/s1
SMILES: C[C@]1([C@@H](C(=O)N1CC2=CC=CC=C2)N3[C@H](COC3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C26H24N2O3/c1-26(21-15-9-4-10-16-21)23(24(29)27(26)17-19-11-5-2-6-12-19)28-22(18-31-25(28)30)20-13-7-3-8-14-20/h2-16,22-23H,17-18H2,1H3/t22-,23-,26-/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)OC)S(=O)(=O)C1)C(=O)N3CCC[C@H]3C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI: InChI=1S/C30H30N2O9S/c1-17(33)40-14-18-16-42(37,38)29-26(39-2)28(35)32(29)25(18)27(34)31-13-7-12-24(31)30(36)41-15-23-21-10-5-3-8-19(21)20-9-4-6-11-22(20)23/h3-6,8-11,23-24,26,29H,7,12-16H2,1-2H3/t24-,26-,29+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSCCN2C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C19H24N2O3S/c1-13-6-2-5-9-16(13)20-17(22)12-25-11-10-21-18(23)14-7-3-4-8-15(14)19(21)24/h3-4,7-8,13,16H,2,5-6,9-12H2,1H3,(H,20,22)/t13-,16-/m1/s1
SMILES: COC1=CC=C(C=C1)N[C@]23[C@@H](CCC4=CC=CC=C42)C(=O)CS3
InChI: InChI=1S/C19H19NO2S/c1-22-15-9-7-14(8-10-15)20-19-16-5-3-2-4-13(16)6-11-17(19)18(21)12-23-19/h2-5,7-10,17,20H,6,11-12H2,1H3/t17-,19+/m0/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@H]3[C@H](C2=O)ON=C3C(=O)C4=CC=CO4
InChI: InChI=1S/C17H12N2O5/c1-9-5-2-3-6-10(9)19-16(21)12-13(18-24-15(12)17(19)22)14(20)11-7-4-8-23-11/h2-8,12,15H,1H3/t12-,15-/m1/s1
SMILES: CN(C)C(=O)C=CC1=CC(=CC=C1)C(=O)O[C@@H]2CC(=C[C@@H]3[C@H]2OC(O3)(C4CC4)C5CC5)C(=O)N6CCC[C@@H]6C(=O)NCCO
InChI: InChI=1S/C33H41N3O8/c1-35(2)28(38)13-8-20-5-3-6-21(17-20)32(41)42-26-18-22(31(40)36-15-4-7-25(36)30(39)34-14-16-37)19-27-29(26)44-33(43-27,23-9-10-23)24-11-12-24/h3,5-6,8,13,17,19,23-27,29,37H,4,7,9-12,14-16,18H2,1-2H3,(H,34,39)/t25-,26-,27-,29+/m1/s1
SMILES: COC1=C(C=C(C=C1)CNC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)O3)OC
InChI: InChI=1S/C17H19NO6/c1-22-10-4-3-9(7-13(10)23-2)8-18-16(19)14-11-5-6-12(24-11)15(14)17(20)21/h3-7,11-12,14-15H,8H2,1-2H3,(H,18,19)(H,20,21)/t11-,12+,14+,15+/m1/s1
SMILES: CCCSS[C@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)N)CO)O
InChI: InChI=1S/C13H20N6O3S2/c1-2-3-23-24-9-8(21)6(4-20)22-12(9)19-5-16-7-10(14)17-13(15)18-11(7)19/h5-6,8-9,12,20-21H,2-4H2,1H3,(H4,14,15,17,18)/t6-,8-,9+,12-/m1/s1
SMILES: C[C@@H]1[C@H]2[C@@H](OC=C([C@]2([C@@H]([C@@H]1O)O)O)C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O
InChI: InChI=1S/C17H26O12/c1-5-8-15(29-16-12(22)11(21)10(20)7(3-18)28-16)27-4-6(14(24)26-2)17(8,25)13(23)9(5)19/h4-5,7-13,15-16,18-23,25H,3H2,1-2H3/t5-,7?,8+,9-,10?,11?,12?,13-,15+,16?,17+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCC(C(=O)NCCO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H40N2O14/c1-18(38)44-17-28-29(47-19(2)39)30(48-20(3)40)31(49-21(4)41)33(50-28)45-16-27(32(42)35-13-14-37)36-34(43)46-15-26-24-11-7-5-9-22(24)23-10-6-8-12-25(23)26/h5-12,26-31,33,37H,13-17H2,1-4H3,(H,35,42)(H,36,43)/t27?,28-,29+,30+,31-,33-/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@@H]([C@H](N(C(=O)N2CCCCCO)CC3=CC=C(C=C3)CO)CC4=CC=CC=C4)O)O
InChI: InChI=1S/C32H40N2O5/c35-19-9-3-8-18-33-28(20-24-10-4-1-5-11-24)30(37)31(38)29(21-25-12-6-2-7-13-25)34(32(33)39)22-26-14-16-27(23-36)17-15-26/h1-2,4-7,10-17,28-31,35-38H,3,8-9,18-23H2/t28-,29-,30+,31-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=CC=C3)C(F)(F)F)OC(=O)C4=CC(=CC=C4)C(F)(F)F)OC(=O)C5=CC(=CC=C5)C(F)(F)F
InChI: InChI=1S/C34H23F9N2O9/c1-16-14-45(31(50)44-26(16)46)27-25(54-30(49)19-7-4-10-22(13-19)34(41,42)43)24(53-29(48)18-6-3-9-21(12-18)33(38,39)40)23(52-27)15-51-28(47)17-5-2-8-20(11-17)32(35,36)37/h2-14,23-25,27H,15H2,1H3,(H,44,46,50)/t23-,24-,25-,27-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=C(C6=CC=CC=C56)O)C(=O)NC4=O
InChI: InChI=1S/C27H21NO5/c1-12-10-21(30)24-19(25(12)31)11-18-16(6-7-17-23(18)27(33)28-26(17)32)22(24)15-8-9-20(29)14-5-3-2-4-13(14)15/h2-6,8-10,17-18,22-23,29H,7,11H2,1H3,(H,28,32,33)/t17-,18+,22-,23-/m0/s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@@H](C(=C)NC(=S)N2)C(=O)OCCOC
InChI: InChI=1S/C17H22N2O4S/c1-4-22-13-7-5-12(6-8-13)15-14(11(2)18-17(24)19-15)16(20)23-10-9-21-3/h5-8,14-15H,2,4,9-10H2,1,3H3,(H2,18,19,24)/t14-,15-/m1/s1
SMILES: CC1=CC(=CC=C1)CN(C[C@H]2CC[C@H]3CN[C@@H](C[C@H]3C2)C(=O)O)CC4=CC(=O)NO4
InChI: InChI=1S/C23H31N3O4/c1-15-3-2-4-16(7-15)12-26(14-20-10-22(27)25-30-20)13-17-5-6-18-11-24-21(23(28)29)9-19(18)8-17/h2-4,7,10,17-19,21,24H,5-6,8-9,11-14H2,1H3,(H,25,27)(H,28,29)/t17-,18-,19+,21-/m0/s1
SMILES: COCCOCO[C@H]1[C@H](NC(=O)N([C@@H]([C@@H]1OCOCCOC)CC2=CC=CC=C2)CC3CC3)CC4=CC=CC=C4
InChI: InChI=1S/C31H44N2O7/c1-35-15-17-37-22-39-29-27(19-24-9-5-3-6-10-24)32-31(34)33(21-26-13-14-26)28(20-25-11-7-4-8-12-25)30(29)40-23-38-18-16-36-2/h3-12,26-30H,13-23H2,1-2H3,(H,32,34)/t27-,28-,29+,30+/m1/s1
SMILES: CCN(C)N1[C@@H]2[C@H](C([C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O[C@@H]([C@]2(OC1=O)C)C)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCCCC4=CC=NC=C4)C)N)C
InChI: InChI=1S/C40H66FN5O9/c1-13-45(12)46-32-25(4)30(42)23(2)22-38(7,51-20-14-15-28-16-18-43-19-17-28)34(54-35-31(47)29(44(10)11)21-24(3)52-35)26(5)33(48)39(8,41)36(49)53-27(6)40(32,9)55-37(46)50/h16-19,23-27,29-32,34-35,47H,13-15,20-22,42H2,1-12H3/t23-,24-,25+,26+,27-,29+,30?,31-,32-,34-,35+,38+,39?,40-/m1/s1
SMILES: C[C@]1(C=C(C=C([C@@H]1C(=O)C(C)(C)C)C(C)(C)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C28H34O/c1-26(2,3)23-18-21(20-14-10-8-11-15-20)19-28(7,22-16-12-9-13-17-22)24(23)25(29)27(4,5)6/h8-19,24H,1-7H3/t24-,28+/m1/s1
SMILES: CC(=O)C1=CC2=C(C=C1)N[C@H]([C@H]3[C@H]2C=CC3)C4=C(C(=CC=C4)OC)OC
InChI: InChI=1S/C22H23NO3/c1-13(24)14-10-11-19-18(12-14)15-6-4-7-16(15)21(23-19)17-8-5-9-20(25-2)22(17)26-3/h4-6,8-12,15-16,21,23H,7H2,1-3H3/t15-,16-,21-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C18H22Cl2N2O4/c1-11-4-2-3-5-15(11)22-16(23)10-26-17(24)9-21-18(25)13-7-6-12(19)8-14(13)20/h6-8,11,15H,2-5,9-10H2,1H3,(H,21,25)(H,22,23)/t11-,15-/m0/s1
SMILES: CC(=O)C[C@@H]([C@H]1[C@H](C(=O)N1C)OC2=CC=C(C=C2)OC)O
InChI: InChI=1S/C15H19NO5/c1-9(17)8-12(18)13-14(15(19)16(13)2)21-11-6-4-10(20-3)5-7-11/h4-7,12-14,18H,8H2,1-3H3/t12-,13-,14+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](N(C(=O)N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI: InChI=1S/C27H20Cl2N2O/c28-21-11-15-23(16-12-21)30-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)31(27(30)32)24-17-13-22(29)14-18-24/h1-18,25-26H/t25-,26+
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC=C(O5)CO)C6=CC=C(C=C6)OC)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C34H31Cl2N3O7/c1-3-38-30(41)22-11-10-21-23(28(22)32(38)43)15-24-31(42)39(37-26-12-6-18(35)14-25(26)36)33(44)34(24,17-4-7-19(45-2)8-5-17)29(21)27-13-9-20(16-40)46-27/h4-10,12-14,22-24,28-29,37,40H,3,11,15-16H2,1-2H3/t22-,23+,24-,28-,29+,34+/m0/s1
SMILES: C1CCC(CC1)N2C[C@H]3[C@H](NN[C@]3(C2=O)O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C17H22N4O4/c22-16-17(23)14(10-20(16)12-6-2-1-3-7-12)15(18-19-17)11-5-4-8-13(9-11)21(24)25/h4-5,8-9,12,14-15,18-19,23H,1-3,6-7,10H2/t14-,15+,17-/m0/s1
SMILES: CCOC(=O)C1=CN2[C@@H](C=C1)[C@@H]([C@@H]([C@@H]2C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C(=C(C#N)C#N)C5CC5
InChI: InChI=1S/C31H27N3O3/c1-2-37-31(36)23-15-16-25-28(26(21-13-14-21)24(17-32)18-33)27(20-9-5-3-6-10-20)29(34(25)19-23)30(35)22-11-7-4-8-12-22/h3-12,15-16,19,21,25,27-29H,2,13-14H2,1H3/t25-,27-,28+,29+/m0/s1
SMILES: C1=CC=C2C(=C1)C(=CN2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C13H15NO4/c15-6-10-11(16)12(17)13(18-10)8-5-14-9-4-2-1-3-7(8)9/h1-5,10-17H,6H2/t10-,11-,12-,13+/m1/s1
SMILES: C[C@H]1CC2=CC(=C(C=C2[C@H]([C@@H]1C)C3=CC(=C(C=C3)O)OC)O)O
InChI: InChI=1S/C19H22O4/c1-10-6-13-7-16(21)17(22)9-14(13)19(11(10)2)12-4-5-15(20)18(8-12)23-3/h4-5,7-11,19-22H,6H2,1-3H3/t10-,11+,19+/m0/s1
SMILES: C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@H]2C(=O)NC4=CC=C(C=C4)OC5=CC6=CC=CC=C6C=C5)C(=O)O3
InChI: InChI=1S/C25H21NO4/c27-24(22-16-12-20-21(13-16)30-25(28)23(20)22)26-17-6-9-18(10-7-17)29-19-8-5-14-3-1-2-4-15(14)11-19/h1-11,16,20-23H,12-13H2,(H,26,27)/t16-,20+,21-,22+,23+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)CNC(=O)CCC(=O)O)CN(C)CC=C
InChI: InChI=1S/C34H40N2O6/c1-4-18-36(3)21-30-23(2)33(27-10-8-24(22-37)9-11-27)42-34(41-30)28-14-12-26(13-15-28)29-7-5-6-25(19-29)20-35-31(38)16-17-32(39)40/h4-15,19,23,30,33-34,37H,1,16-18,20-22H2,2-3H3,(H,35,38)(H,39,40)/t23-,30+,33+,34+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2C(=O)[C@@]3(CCCC4=CC=CC=C43)NC2=O
InChI: InChI=1S/C21H27N3O3/c1-14-7-2-5-11-17(14)22-18(25)13-24-19(26)21(23-20(24)27)12-6-9-15-8-3-4-10-16(15)21/h3-4,8,10,14,17H,2,5-7,9,11-13H2,1H3,(H,22,25)(H,23,27)/t14-,17-,21-/m0/s1
SMILES: CCCCC[C@H]1CC[C@H](C[C@@H]1C)C2=CC=C(C=C2)C3=NC=C(C=C3)CC
InChI: InChI=1S/C25H35N/c1-4-6-7-8-21-10-15-24(17-19(21)3)22-11-13-23(14-12-22)25-16-9-20(5-2)18-26-25/h9,11-14,16,18-19,21,24H,4-8,10,15,17H2,1-3H3/t19-,21-,24+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=O)C4=C([C@H](CC[C@]34C)O)O
InChI: InChI=1S/C19H28O4/c1-18-7-5-12-10(11(18)3-4-15(18)22)9-14(21)16-17(23)13(20)6-8-19(12,16)2/h10-13,15,20,22-23H,3-9H2,1-2H3/t10-,11-,12-,13-,15-,18-,19+/m0/s1
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OC)N)O)O)O
InChI: InChI=1S/C30H52N9O21P3S/c1-30(2,24(45)27(46)34-5-4-16(40)33-6-7-64-10-17(41)35-8-14-20(42)21(43)18(31)29(54-3)58-14)11-56-63(52,53)60-62(50,51)55-9-15-23(59-61(47,48)49)22(44)28(57-15)39-13-38-19-25(32)36-12-37-26(19)39/h12-15,18,20-24,28-29,42-45H,4-11,31H2,1-3H3,(H,33,40)(H,34,46)(H,35,41)(H,50,51)(H,52,53)(H2,32,36,37)(H2,47,48,49)/t14-,15-,18-,20-,21-,22-,23-,24+,28-,29+/m1/s1
SMILES: CC1=CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3CN(C)CC4=CC=CC=C4)C
InChI: InChI=1S/C23H29NO2/c1-16-8-7-11-23(2)13-21-18(12-20(16)23)19(22(25)26-21)15-24(3)14-17-9-5-4-6-10-17/h4-6,8-10,12,18-19,21H,7,11,13-15H2,1-3H3/t18-,19+,21-,23-/m1/s1
SMILES: CCOC(=O)/C(=C/C[C@@H]1[C@@H]([C@H](CC=C1C)C(C)C)C(OC)OC)/C
InChI: InChI=1S/C20H34O4/c1-8-24-19(21)15(5)10-12-17-14(4)9-11-16(13(2)3)18(17)20(22-6)23-7/h9-10,13,16-18,20H,8,11-12H2,1-7H3/b15-10+/t16-,17+,18-/m1/s1
SMILES: CC(C)C(=O)N(CC12CC3CC(C1)CC(C3)C2)[C@@H]4C=C([C@H]5[C@@H]([C@H]4O)OC6=CC=CC=C56)C(=O)NCCO
InChI: InChI=1S/C30H40N2O5/c1-17(2)29(36)32(16-30-13-18-9-19(14-30)11-20(10-18)15-30)23-12-22(28(35)31-7-8-33)25-21-5-3-4-6-24(21)37-27(25)26(23)34/h3-6,12,17-20,23,25-27,33-34H,7-11,13-16H2,1-2H3,(H,31,35)/t18?,19?,20?,23-,25+,26+,27+,30?/m1/s1
SMILES: C[C@H]1C=C([C@H]2[C@@H]([C@@]1(CO[C@H]2C3=CN=CC=C3)CO)C)C
InChI: InChI=1S/C17H23NO2/c1-11-7-12(2)17(9-19)10-20-16(15(11)13(17)3)14-5-4-6-18-8-14/h4-8,12-13,15-16,19H,9-10H2,1-3H3/t12-,13-,15-,16-,17+/m0/s1
SMILES: CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CC=C2C(F)(F)F)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C40H39F3N2O7/c1-2-49-38(46)32-33(29-20-12-13-21-30(29)40(41,42)43)44-39(47)45-34(32)36-37(51-24-28-18-10-5-11-19-28)35(50-23-27-16-8-4-9-17-27)31(52-36)25-48-22-26-14-6-3-7-15-26/h3-21,31,33,35-37H,2,22-25H2,1H3,(H2,44,45,47)/t31-,33-,35-,36+,37-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl)C(C)C
InChI: InChI=1S/C18H23Cl2NO4/c1-10(2)13-5-4-11(3)6-15(13)25-16(22)9-24-18(23)12-7-14(19)17(20)21-8-12/h7-8,10-11,13,15H,4-6,9H2,1-3H3/t11-,13+,15+/m0/s1
SMILES: C1CN2[C@@H]([C@@H]3[C@@H](N2C1)C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)F
InChI: InChI=1S/C20H17ClFN3O2/c21-13-3-1-4-15(11-13)25-19(26)16-17(12-5-7-14(22)8-6-12)23-9-2-10-24(23)18(16)20(25)27/h1,3-8,11,16-18H,2,9-10H2/t16-,17-,18-/m1/s1
SMILES: C1C[C@]2(CCN([C@H]2C[C@H]1NC(=S)NCC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6.Cl
InChI: InChI=1S/C30H33N3O2S.ClH/c36-29(31-19-22-7-3-1-4-8-22)32-25-13-14-30(24-11-12-26-27(17-24)35-21-34-26)15-16-33(28(30)18-25)20-23-9-5-2-6-10-23;/h1-12,17,25,28H,13-16,18-21H2,(H2,31,32,36);1H/t25-,28-,30-;/m0./s1
SMILES: C1C=C2[C@@H](CN1CC3=CC=CC=C3)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C4=CC=CC=C4Cl
InChI: InChI=1S/C25H20ClN5/c26-22-9-5-4-8-19(22)23-21-14-31(13-17-6-2-1-3-7-17)11-10-18(21)20(12-27)24(30)25(23,15-28)16-29/h1-10,21,23H,11,13-14,30H2/t21-,23+/m1/s1
SMILES: C[C@@H]1CC(=O)C=C([C@@]12OC3=C(S2(=O)=O)C=C(C=C3)OC)OC
InChI: InChI=1S/C15H16O6S/c1-9-6-10(16)7-14(20-3)15(9)21-12-5-4-11(19-2)8-13(12)22(15,17)18/h4-5,7-9H,6H2,1-3H3/t9-,15-/m1/s1
SMILES: C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)CC(/C=C/C=C/C=C/C(=O)O)OC)(C)C)OC)OCO2)O)OC)C
InChI: InChI=1S/C31H47NO11/c1-18-16-31(39-8,43-20(3)19(18)2)26(35)28(36)32-29-25-24(40-17-41-29)27(38-7)30(4,5)22(42-25)15-21(37-6)13-11-9-10-12-14-23(33)34/h9-14,19-22,24-27,29,35H,1,15-17H2,2-8H3,(H,32,36)(H,33,34)/b10-9+,13-11+,14-12+/t19-,20-,21?,22-,24+,25+,26-,27-,29+,31-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)CCl)OC(=O)CCl)OC(=O)CCl)OC(=O)CCl)OC(=O)CCl
InChI: InChI=1S/C16H17Cl5O11/c17-1-8(22)27-6-7-13(29-9(23)2-18)14(30-10(24)3-19)15(31-11(25)4-20)16(28-7)32-12(26)5-21/h7,13-16H,1-6H2/t7-,13-,14+,15-,16-/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@]4(CCC[C@@]3([C@H]1CC[C@]([C@H]2CC5=C(C=CC(=C5)O)O)(C)O)COC4=O)C
InChI: InChI=1S/C26H36O5/c1-23-11-7-20-24(2)9-4-10-26(20,15-31-22(24)29)19(23)8-12-25(3,30)21(23)14-16-13-17(27)5-6-18(16)28/h5-6,13,19-21,27-28,30H,4,7-12,14-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,26-/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)C1=C2[C@H](CC(=C1)C[Si](C)(C)C)[C@H]3CO[C@@H]([C@H]2O)O3
InChI: InChI=1S/C14H21O3Si.3C4H9.Sn/c1-18(2,3)8-9-4-5-10-11(6-9)12-7-16-14(17-12)13(10)15;3*1-3-4-2;/h4,11-15H,6-8H2,1-3H3;3*1,3-4H2,2H3;/t11-,12+,13-,14+;;;;/m0..../s1
SMILES: C[C@@]12CCC(=O)C=C1CC[C@H]3[C@H]2CC[C@]4([C@H]3CC[C@]4(C(=O)COC(=O)CCC(=O)NCC5=CC=C(C=C5)C(=O)[O-])O)C
InChI: InChI=1S/C33H41NO8/c1-31-14-11-23(35)17-22(31)7-8-24-25(31)12-15-32(2)26(24)13-16-33(32,41)27(36)19-42-29(38)10-9-28(37)34-18-20-3-5-21(6-4-20)30(39)40/h3-6,17,24-26,41H,7-16,18-19H2,1-2H3,(H,34,37)(H,39,40)/p-1/t24-,25+,26-,31+,32-,33+/m0/s1
SMILES: C[C@H]1[C@H](C(=O)[C@@H]([C@@]23[C@@]1(C[C@@H]([C@@]2(CC3)C)Br)C)C)Br
InChI: InChI=1S/C15H22Br2O/c1-8-11(17)12(18)9(2)15-6-5-13(15,3)10(16)7-14(8,15)4/h8-11H,5-7H2,1-4H3/t8-,9-,10-,11+,13-,14+,15+/m0/s1
SMILES: COC1=CC=C(C=C1)C2=NOC(=N2)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C19H19N3O4/c1-25-13-8-6-12(7-9-13)17-20-16(26-21-17)10-11-22-18(23)14-4-2-3-5-15(14)19(22)24/h2-3,6-9,14-15H,4-5,10-11H2,1H3/t14-,15+
SMILES: CC[C@@]1(CC[C@@]2([C@H]3CC[C@@]4([C@@H]([C@@H]3CC[C@]2(C1)C)CC[C@@H]4O)C)C)O
InChI: InChI=1S/C22H38O2/c1-5-22(24)13-12-21(4)17-9-11-20(3)16(6-7-18(20)23)15(17)8-10-19(21,2)14-22/h15-18,23-24H,5-14H2,1-4H3/t15-,16+,17-,18-,19-,20+,21+,22-/m0/s1
SMILES: C1C[C@@]23[C@@H]4[C@@H]5C[C@@H]6[C@@H]4[C@](O2)(CCCOCCOCCOCCOCCOC1)[C@@H]7[C@H]6[C@H]5[C@H]37
InChI: InChI=1S/C25H38O6/c1-3-24-20-16-15-17-19-18(16)22(24)23(19)25(31-24,21(17)20)4-2-6-27-8-10-29-12-14-30-13-11-28-9-7-26-5-1/h16-23H,1-15H2/t16-,17+,18+,19-,20-,21+,22+,23-,24+,25-
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCC(CN4CCNCC4)O)C5=CC=CC=C5)C
InChI: InChI=1S/C31H38N2O4/c1-31(2)30(23-7-5-4-6-8-23)29(27-14-13-26(35-3)19-28(27)37-31)22-9-11-25(12-10-22)36-21-24(34)20-33-17-15-32-16-18-33/h4-14,19,24,29-30,32,34H,15-18,20-21H2,1-3H3/t24?,29-,30+/m1/s1
SMILES: CC1(CC(=O)[C@@H]2[C@H](C3=C(NC2=C1)N(C(=O)N(C3=O)C)C)C4=CC=C(C=C4)C(=O)O)C
InChI: InChI=1S/C22H23N3O5/c1-22(2)9-13-16(14(26)10-22)15(11-5-7-12(8-6-11)20(28)29)17-18(23-13)24(3)21(30)25(4)19(17)27/h5-9,15-16,23H,10H2,1-4H3,(H,28,29)/t15-,16-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)O)C
InChI: InChI=1S/C12H20O6/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6-10,13H,5H2,1-4H3/t6-,7-,8+,9-,10-/m1/s1
SMILES: C1CS[C@]2(O1)[C@@]3([C@H]([C@@]3(C(=[NH+]2)N)C#N)C4=CC(=CC=C4)OC5=CC=CC=C5)C#N
InChI: InChI=1S/C21H16N4O2S/c22-12-19-17(20(19,13-23)21(25-18(19)24)26-9-10-28-21)14-5-4-8-16(11-14)27-15-6-2-1-3-7-15/h1-8,11,17H,9-10H2,(H2,24,25)/p+1/t17-,19+,20+,21+/m0/s1
SMILES: COC(=O)[C@]1([C@@H]2[C@H]([C@@H](N1)C3=CC=CC=C3Cl)C(=O)N(C2=O)CC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C28H25ClN2O4/c1-35-27(34)28(16-18-10-4-2-5-11-18)23-22(24(30-28)20-14-8-9-15-21(20)29)25(32)31(26(23)33)17-19-12-6-3-7-13-19/h2-15,22-24,30H,16-17H2,1H3/t22-,23-,24+,28-/m1/s1
SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC=C(C=C3)F
InChI: InChI=1S/C28H37FN2O4/c1-4-6-16-30(17-7-5-2)25(32)19-31-18-24(20-8-12-22(29)13-9-20)26(28(33)34)27(31)21-10-14-23(35-3)15-11-21/h8-15,24,26-27H,4-7,16-19H2,1-3H3,(H,33,34)/t24-,26-,27+/m1/s1
SMILES: CCOC(=O)[C@@H]1CN(C[C@H]1[NH2+][C@H](C)C2=CC=CC=C2)C(=O)OC(C)(C)C.[Cl-]
InChI: InChI=1S/C20H30N2O4.ClH/c1-6-25-18(23)16-12-22(19(24)26-20(3,4)5)13-17(16)21-14(2)15-10-8-7-9-11-15;/h7-11,14,16-17,21H,6,12-13H2,1-5H3;1H/t14-,16-,17-;/m1./s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3CC[C@]4([C@@H]3[C@@H]2[C@@H](N4C=O)C5=CC=CC=C5)C(=O)OC
InChI: InChI=1S/C24H26N2O5S/c1-16-8-10-19(11-9-16)32(29,30)26-14-18-12-13-24(23(28)31-2)20(18)22(26)21(25(24)15-27)17-6-4-3-5-7-17/h3-11,15,18,20-22H,12-14H2,1-2H3/t18-,20-,21-,22+,24-/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@H]([C@@H]1OCC3=CC=C(C=C3)OC)C=C[C@H]([C@H]2C=C)C[C@H]4C[C@H](O[C@H](O4)C5=CC=C(C=C5)OC)CC(=O)C=C
InChI: InChI=1S/C36H44O6/c1-6-27(37)20-31-21-30(41-36(42-31)25-10-15-29(39-5)16-11-25)19-26-12-17-33-34(32(26)7-2)18-23(3)35(33)40-22-24-8-13-28(38-4)14-9-24/h6-17,23,26,30-36H,1-2,18-22H2,3-5H3/t23-,26+,30+,31-,32-,33-,34+,35-,36+/m1/s1
SMILES: C1=CC(=CC(=C1)F)[C@]2([C@@](C(C2(F)F)(F)F)(C3=CC(=CC=C3)F)F)F
InChI: InChI=1S/C16H8F8/c17-11-5-1-3-9(7-11)13(19)14(20,16(23,24)15(13,21)22)10-4-2-6-12(18)8-10/h1-8H/t13-,14-/m1/s1
SMILES: C[C@H]([C@@H]1[C@@H](N(C1=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3)[Si](C)(C)C4=CC=CC=C4
InChI: InChI=1S/C26H29NO2Si/c1-19(30(3,4)23-13-9-6-10-14-23)24-25(20-11-7-5-8-12-20)27(26(24)28)21-15-17-22(29-2)18-16-21/h5-19,24-25H,1-4H3/t19-,24-,25+/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)N(N=N3)CC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C21H21N5O3/c1-13(2)14-8-10-16(11-9-14)26-20(28)18-19(21(26)29)25(24-23-18)12-17(27)22-15-6-4-3-5-7-15/h3-11,13,18-19H,12H2,1-2H3,(H,22,27)/t18-,19+/m0/s1
SMILES: COC1=CC2=C(C=C1)C3=CC[C@@H]4[C@H]([C@@H]3CC2)C5[C@@H]6C[C@H](C5C4=O)C=C6
InChI: InChI=1S/C23H24O2/c1-25-15-5-7-16-12(11-15)4-6-18-17(16)8-9-19-22(18)20-13-2-3-14(10-13)21(20)23(19)24/h2-3,5,7-8,11,13-14,18-22H,4,6,9-10H2,1H3/t13-,14+,18+,19+,20?,21?,22-/m0/s1
SMILES: C1[C@]23C=C[C@@H](O2)[C@@H]([C@H]3C(=O)N1C4=CC=CC5=CC=CC=C54)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C26H21NO4/c28-24-23-22(25(29)30-15-17-7-2-1-3-8-17)21-13-14-26(23,31-21)16-27(24)20-12-6-10-18-9-4-5-11-19(18)20/h1-14,21-23H,15-16H2/t21-,22+,23+,26+/m1/s1
SMILES: CCC1=CC=C(C=C1)[C@H]2[C@H](C(=C)NC(=O)N2)C(=O)NC3=CC=CC=C3C(F)(F)F
InChI: InChI=1S/C21H20F3N3O2/c1-3-13-8-10-14(11-9-13)18-17(12(2)25-20(29)27-18)19(28)26-16-7-5-4-6-15(16)21(22,23)24/h4-11,17-18H,2-3H2,1H3,(H,26,28)(H2,25,27,29)/t17-,18-/m0/s1
SMILES: C1C=CC[C@@H]([C@H]1C(=O)NC2=C(C=CC(=C2)C(=O)O)NCC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C22H22N2O5/c25-20(16-8-4-5-9-17(16)22(28)29)24-19-12-15(21(26)27)10-11-18(19)23-13-14-6-2-1-3-7-14/h1-7,10-12,16-17,23H,8-9,13H2,(H,24,25)(H,26,27)(H,28,29)/t16-,17-/m0/s1
SMILES: CC(=O)O[C@]1(CCCC[C@@]12[C@@H]3[C@H](C(O2)O)OC(O3)(C)C)C=O
InChI: InChI=1S/C15H22O7/c1-9(17)19-14(8-16)6-4-5-7-15(14)11-10(12(18)22-15)20-13(2,3)21-11/h8,10-12,18H,4-7H2,1-3H3/t10-,11+,12?,14-,15-/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@H]3C(=NC4=C2C(=O)N(C(=O)N4C)C)C5=CC=CC=C5C3=O
InChI: InChI=1S/C24H21N3O4/c1-4-31-14-11-9-13(10-12-14)17-18-20(15-7-5-6-8-16(15)21(18)28)25-22-19(17)23(29)27(3)24(30)26(22)2/h5-12,17-18H,4H2,1-3H3/t17-,18+/m1/s1
SMILES: C1[C@H](C[C@@H]([C@H]1CO)O)N2C=C(C(=O)NC2=O)/C=C/Br
InChI: InChI=1S/C12H15BrN2O4/c13-2-1-7-5-15(12(19)14-11(7)18)9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H,14,18,19)/b2-1+/t8-,9-,10+/m1/s1
SMILES: CC/C=C/[C@]12[C@H]3CCN1[C@@H]4C[C@H]2O[C@]35[C@@H]4[C@@H](/C(=C/6\C(=C(C(=O)O6)C)OC)/O5)C
InChI: InChI=1S/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13+,14+,15+,16+,21+,22+/m0/s1
SMILES: C[C@H]1[C@H]([Si](C=C1C2=CC=CC=C2)(C(C)(C)C)C(C)(C)C)C
InChI: InChI=1S/C20H32Si/c1-15-16(2)21(19(3,4)5,20(6,7)8)14-18(15)17-12-10-9-11-13-17/h9-16H,1-8H3/t15-,16+/m0/s1
SMILES: C/C=C/1\[C@@H]2C/C=C(\[C@H]3CC[C@@H]([C@H]3CC2=CC1=O)O[Si](C)(C)C(C)(C)C)/C
InChI: InChI=1S/C23H36O2Si/c1-8-17-19-10-9-15(2)18-11-12-22(25-26(6,7)23(3,4)5)20(18)13-16(19)14-21(17)24/h8-9,14,18-20,22H,10-13H2,1-7H3/b15-9-,17-8+/t18-,19-,20+,22+/m1/s1
SMILES: C[C@]12CC[C@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)(C)C)N
InChI: InChI=1S/C31H51NO2/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24H,10-19,32H2,1-8H3/t21-,22-,23+,24+,28-,29+,30+,31-/m0/s1
SMILES: CCOC(=O)[C@@]1([C@H]2C[C@@H]([C@H]1OC(=O)OCC)[C@H]3[C@@H]2O3)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C20H23NO7/c1-3-25-18(23)20(21-17(22)11-8-6-5-7-9-11)13-10-12(14-15(13)27-14)16(20)28-19(24)26-4-2/h5-9,12-16H,3-4,10H2,1-2H3,(H,21,22)/t12-,13+,14+,15-,16-,20+/m1/s1
SMILES: COC(=O)[C@H]1[C@H]2C=C[C@@H]([C@@H]1[N+](=O)[O-])O2
InChI: InChI=1S/C8H9NO5/c1-13-8(10)6-4-2-3-5(14-4)7(6)9(11)12/h2-7H,1H3/t4-,5+,6+,7+/m1/s1
SMILES: CCN1C(=CC(=N1)CC2=CC=CC=C2)C3CCN(CC3)C[C@H]4CC(C[C@@H]4C5=CC=CC=C5)C(CC6CC6)C(=O)O
InChI: InChI=1S/C35H45N3O2/c1-2-38-34(23-31(36-38)19-25-9-5-3-6-10-25)28-15-17-37(18-16-28)24-30-21-29(33(35(39)40)20-26-13-14-26)22-32(30)27-11-7-4-8-12-27/h3-12,23,26,28-30,32-33H,2,13-22,24H2,1H3,(H,39,40)/t29?,30-,32-,33?/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C(C)C
InChI: InChI=1S/C22H29O4P/c1-17(2)21-15-14-18(3)16-22(21)26-27(23,24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22-/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)NN=C3C(=O)OC
InChI: InChI=1S/C15H15N3O5/c1-3-23-9-6-4-8(5-7-9)18-13(19)10-11(14(18)20)16-17-12(10)15(21)22-2/h4-7,10-11,16H,3H2,1-2H3/t10-,11-/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=CC(=C8)N=C(N)N
InChI: InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24+,26+,27-/m1/s1
SMILES: C/C=C\1/CN2CC[C@@]34[C@H]2C[C@H]1C=C3N(C5=CC=CC=C45)C=O
InChI: InChI=1S/C19H20N2O/c1-2-13-11-20-8-7-19-15-5-3-4-6-16(15)21(12-22)18(19)10-14(13)9-17(19)20/h2-6,10,12,14,17H,7-9,11H2,1H3/b13-2-/t14-,17+,19+/m0/s1
SMILES: CC(C)C[C@@H]1[C@H](CCCOC2=CC=C(CC[C@H](NC1=O)C(=O)OC)C=C2)C(=O)NOCC3=CC=CC=C3
InChI: InChI=1S/C29H38N2O6/c1-20(2)18-25-24(28(33)31-37-19-22-8-5-4-6-9-22)10-7-17-36-23-14-11-21(12-15-23)13-16-26(29(34)35-3)30-27(25)32/h4-6,8-9,11-12,14-15,20,24-26H,7,10,13,16-19H2,1-3H3,(H,30,32)(H,31,33)/t24-,25+,26-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1N(CC2=CC=CC=C2F)S(=O)(=O)C3=CC(=C(C=C3)N4C=NN=N4)C
InChI: InChI=1S/C22H26FN5O2S/c1-16-7-3-6-10-22(16)28(14-18-8-4-5-9-20(18)23)31(29,30)19-11-12-21(17(2)13-19)27-15-24-25-26-27/h4-5,8-9,11-13,15-16,22H,3,6-7,10,14H2,1-2H3/t16-,22-/m1/s1