EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1CC2C3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCC#N)OC(=O)C5C(C5(C)C)(C)C)C)O)F)C
InChI: InChI=1S/C31H40FNO6/c1-17-14-21-20-9-8-18-15-19(34)10-11-28(18,6)30(20,32)22(35)16-29(21,7)31(17,25(37)38-13-12-33)39-24(36)23-26(2,3)27(23,4)5/h10-11,15,17,20-23,35H,8-9,13-14,16H2,1-7H3/t17-,20?,21?,22-,28-,29-,30-,31-/m0/s1
SMILES: CC1=NN=NN1C2=CC(=CC(=C2)C(F)(F)F)CO[C@H]3CCCN([C@H]3C4=CC=CC=C4)CC5=NNN=C5CN(C)C
InChI: InChI=1S/C27H32F3N9O/c1-18-31-35-36-39(18)22-13-19(12-21(14-22)27(28,29)30)17-40-25-10-7-11-38(26(25)20-8-5-4-6-9-20)16-24-23(15-37(2)3)32-34-33-24/h4-6,8-9,12-14,25-26H,7,10-11,15-17H2,1-3H3,(H,32,33,34)/t25-,26-/m0/s1
SMILES: CC(C)CN(C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)C5=NOC(=N5)C6=CC=CO6
InChI: InChI=1S/C33H38N4O9S/c1-21(2)18-37(47(40,41)24-12-10-23(11-13-24)30-35-31(46-36-30)28-9-6-15-42-28)19-27(38)26(17-22-7-4-3-5-8-22)34-33(39)45-29-20-44-32-25(29)14-16-43-32/h3-13,15,21,25-27,29,32,38H,14,16-20H2,1-2H3,(H,34,39)/t25-,26-,27-,29-,32+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2C(=C[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C#CC6=CC=CC=C6)C
InChI: InChI=1S/C42H54O2/c1-29(2)13-12-14-30(3)36-21-22-37-39-33(20-19-31-15-8-6-9-16-31)27-34-28-35(44-40(43)32-17-10-7-11-18-32)23-25-41(34,4)38(39)24-26-42(36,37)5/h6-11,15-18,27,29-30,34-39H,12-14,21-26,28H2,1-5H3/t30-,34+,35+,36+,37+,38-,39-,41+,42-/m1/s1
SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)[C@H]([C@H]4O)O)C9=CC=CC=C9)N3.C1=CC=NC=C1.C1=CC=NC=C1.O=[Os]=O
InChI: InChI=1S/C44H32N4O2.2C5H5N.2O.Os/c49-43-41-39(29-17-9-3-10-18-29)35-25-23-33(46-35)37(27-13-5-1-6-14-27)31-21-22-32(45-31)38(28-15-7-2-8-16-28)34-24-26-36(47-34)40(42(48-41)44(43)50)30-19-11-4-12-20-30;2*1-2-4-6-5-3-1;;;/h1-26,43-44,46-47,49-50H;2*1-5H;;;/t43-,44+;;;;;
SMILES: CCC(=O)N(CCC1=CC=CC=C1)C2=NC=NC3=C2N=CN3C4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C21H25N5O5/c1-2-15(28)25(9-8-13-6-4-3-5-7-13)19-16-20(23-11-22-19)26(12-24-16)21-18(30)17(29)14(10-27)31-21/h3-7,11-12,14,17-18,21,27,29-30H,2,8-10H2,1H3/t14-,17-,18-,21?/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)ONC2=N[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O
InChI: InChI=1S/C19H34N2O15/c1-32-18-14(31)11(28)16(7(4-24)34-18)36-21-17-12(29)10(27)15(5(2-22)20-17)35-19-13(30)9(26)8(25)6(3-23)33-19/h5-16,18-19,22-31H,2-4H2,1H3,(H,20,21)/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,18-,19+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(CCC2=CC(=CC=C2)F)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=C4C=C(C=C5OC)C=O)C(=O)NCCO)C(C)C
InChI: InChI=1S/C37H47FN2O8/c1-21(2)26-9-8-22(3)14-30(26)47-20-32(43)40(12-10-23-6-5-7-25(38)15-23)29-18-28(37(45)39-11-13-41)33-27-16-24(19-42)17-31(46-4)35(27)48-36(33)34(29)44/h5-7,15-19,21-22,26,29-30,33-34,36,41,44H,8-14,20H2,1-4H3,(H,39,45)/t22-,26+,29+,30-,33-,34-,36-/m0/s1
SMILES: CCOC(=O)C1=CN=C2C(=C1N[C@H]3CCCC[C@@H]3C)C=CC(=C2Cl)Cl
InChI: InChI=1S/C19H22Cl2N2O2/c1-3-25-19(24)13-10-22-18-12(8-9-14(20)16(18)21)17(13)23-15-7-5-4-6-11(15)2/h8-11,15H,3-7H2,1-2H3,(H,22,23)/t11-,15-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[C@@H](C)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(C)C
InChI: InChI=1S/C21H28BrNO5/c1-12(2)16-7-5-13(3)9-19(16)28-20(24)10-14(4)21(25)15-6-8-17(22)18(11-15)23(26)27/h6,8,11-14,16,19H,5,7,9-10H2,1-4H3/t13-,14-,16+,19-/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@@H]3C6=CC=C(C=C6)F
InChI: InChI=1S/C27H18FNO6/c1-34-17-12-10-16(11-13-17)29-25(32)20-21(26(29)33)27(35-22(20)14-6-8-15(28)9-7-14)23(30)18-4-2-3-5-19(18)24(27)31/h2-13,20-22H,1H3/t20-,21-,22+/m0/s1
SMILES: CC(=CC[C@@H]1[C@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NC(=O)CCl)OC)C
InChI: InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18-,19+/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC=CC(=C6)[N+](=O)[O-])CCCCO)CCCCO)SC7=CC8=CC=CC=C8C=C7
InChI: InChI=1S/C50H52N2O8S/c1-2-27-57-50-47(61-41-23-21-35-15-6-7-16-36(35)28-41)32-45(51-58-33-34-13-4-3-5-14-34)43-29-37(17-8-10-25-53)42(20-9-11-26-54)48(49(43)50)44-31-40(22-24-46(44)60-50)59-39-19-12-18-38(30-39)52(55)56/h2-7,12-16,18-19,21-24,28-31,37,42,47-49,53-54H,1,8-11,17,20,25-27,32-33H2/t37-,42+,47-,48+,49+,50+/m0/s1
SMILES: CCN(C)C(=O)N[C@@H]1CC[C@]2(CCN([C@H]2C1)CC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C27H37N3O3/c1-5-29(2)26(31)28-22-13-14-27(21-11-12-23(32-3)24(17-21)33-4)15-16-30(25(27)18-22)19-20-9-7-6-8-10-20/h6-12,17,22,25H,5,13-16,18-19H2,1-4H3,(H,28,31)/t22-,25+,27+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H17NO7S/c1-6-10(19-7(2)15)11(20-8(3)16)12(21-9(4)17)13(18-6)14-5-22/h6,10-13H,1-4H3/t6-,10-,11+,12+,13+/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)N
InChI: InChI=1S/C18H33NO15/c19-1-4-14(9(24)11(26)16(29)30-4)33-18-13(28)10(25)15(6(3-21)32-18)34-17-12(27)8(23)7(22)5(2-20)31-17/h4-18,20-29H,1-3,19H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3([C@H]4N2C5=C(C=C4)C=C(C=C5)Br)C(=O)C6=CC=CC=C6C3=O)C7=CC=C(C=C7)F
InChI: InChI=1S/C33H21BrFNO3/c34-22-13-16-26-21(18-22)12-17-27-33(31(38)24-8-4-5-9-25(24)32(33)39)28(19-10-14-23(35)15-11-19)29(36(26)27)30(37)20-6-2-1-3-7-20/h1-18,27-29H/t27-,28-,29+/m0/s1
SMILES: C[C@@H]1C=C(CC[C@@H]1[C@@H]2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)CCC=C(C)C
InChI: InChI=1S/C24H30N4OS/c1-15(2)8-7-9-17-12-13-18(16(3)14-17)22-25-20-11-6-5-10-19(20)21-23(29-22)26-24(30-4)28-27-21/h5-6,8,10-11,14,16,18,22,25H,7,9,12-13H2,1-4H3/t16-,18+,22-/m1/s1
SMILES: C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.Cl
InChI: InChI=1S/C21H39N7O12.ClH/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);1H/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;/m0./s1
SMILES: C1C[C@@H]2[C@@]3([C@H]([C@]4(N2C1)C5=CC=CC=C5NC4=O)C(=O)C6=CC(=CC=C6)[N+](=O)[O-])C7=CC=CC=C7NC3=O
InChI: InChI=1S/C28H22N4O5/c33-23(16-7-5-8-17(15-16)32(36)37)24-27(18-9-1-3-11-20(18)29-25(27)34)22-13-6-14-31(22)28(24)19-10-2-4-12-21(19)30-26(28)35/h1-5,7-12,15,22,24H,6,13-14H2,(H,29,34)(H,30,35)/t22-,24-,27-,28-/m1/s1
SMILES: CCCN1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C27H25N5/c1-2-13-32-14-12-22-23(15-28)26(31)27(17-29,18-30)25(24(22)16-32)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-12,23-25,31H,2,13-14,16H2,1H3/t23?,24-,25+/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@H]3[C@@H]([C@H]([C@@H]([C@H]2OCC4=CC=CC=C4)OCC=C)OCC=C)OC5(O3)CCCCC5
InChI: InChI=1S/C33H42O7/c1-4-20-35-27-28(37-22-24-12-8-6-9-13-24)30(38-23-25-14-16-26(34-3)17-15-25)32-31(29(27)36-21-5-2)39-33(40-32)18-10-7-11-19-33/h4-6,8-9,12-17,27-32H,1-2,7,10-11,18-23H2,3H3/t27-,28-,29+,30+,31-,32+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C
InChI: InChI=1S/C15H21N3O2S/c1-10-5-3-4-6-13(10)16-15(21)17-14-9-12(18(19)20)8-7-11(14)2/h7-10,13H,3-6H2,1-2H3,(H2,16,17,21)/t10-,13-/m1/s1
SMILES: CC1=CC[C@@](C[C@@H]1O)(C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C16H28O7/c1-8(2)16(5-4-9(3)10(18)6-16)23-15-14(21)13(20)12(19)11(7-17)22-15/h4,8,10-15,17-21H,5-7H2,1-3H3/t10-,11+,12+,13-,14+,15-,16+/m0/s1
SMILES: CC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@H]2S1)C3=CC(=C(C=C3)OC)Cl
InChI: InChI=1S/C14H15ClN2O4S2/c1-8(18)16-14-17(9-3-4-12(21-2)10(15)5-9)11-6-23(19,20)7-13(11)22-14/h3-5,11,13H,6-7H2,1-2H3/t11-,13+/m0/s1
SMILES: CC(C)[C@@]1(CC[C@@]2([C@H]1[C@@H]3[C@H]2CCC34OCCO4)CI)OC(=S)SC
InChI: InChI=1S/C18H27IO3S2/c1-11(2)17(22-15(23)24-3)7-6-16(10-19)12-4-5-18(13(12)14(16)17)20-8-9-21-18/h11-14H,4-10H2,1-3H3/t12-,13+,14-,16-,17-/m1/s1
SMILES: CC1([C@@H]2CC[C@]1([C@H](C2)NC(=O)[C@H](CCS(=O)(=O)C)NC(=O)CC3=CN=CN3)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C
InChI: InChI=1S/C33H47N5O6S2/c1-31(2)24-9-12-33(31,21-46(43,44)38-15-13-32(14-16-38)11-8-23-6-4-5-7-26(23)32)28(18-24)37-30(40)27(10-17-45(3,41)42)36-29(39)19-25-20-34-22-35-25/h4-7,20,22,24,27-28H,8-19,21H2,1-3H3,(H,34,35)(H,36,39)(H,37,40)/t24-,27+,28+,33-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)C(=O)CCl)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C28H23ClO8/c29-16-21(30)23-25(37-28(33)20-14-8-3-9-15-20)24(36-27(32)19-12-6-2-7-13-19)22(35-23)17-34-26(31)18-10-4-1-5-11-18/h1-15,22-25H,16-17H2/t22-,23+,24-,25+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@]23[C@@H](C2(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N(C3=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C29H20ClNO2/c30-23-16-18-24(19-17-23)31-26(32)25-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)29(25,27(31)33)22-14-8-3-9-15-22/h1-19,25H/t25-,29+/m1/s1
SMILES: CCOP(=O)(OCC)O[C@H]1C[C@H]([C@@H]([C@@H]1O)O)OC(=O)C
InChI: InChI=1S/C11H21O8P/c1-4-16-20(15,17-5-2)19-9-6-8(18-7(3)12)10(13)11(9)14/h8-11,13-14H,4-6H2,1-3H3/t8-,9+,10+,11-/m1/s1
SMILES: CC(=O)NC1=CC=CC(=C1)C(=O)N2CC[C@@]3(CCCC[C@@H]3[C@H]2C4=CC=CC=C4OC)O
InChI: InChI=1S/C25H30N2O4/c1-17(28)26-19-9-7-8-18(16-19)24(29)27-15-14-25(30)13-6-5-11-21(25)23(27)20-10-3-4-12-22(20)31-2/h3-4,7-10,12,16,21,23,30H,5-6,11,13-15H2,1-2H3,(H,26,28)/t21-,23-,25-/m1/s1
SMILES: C[C@]12CC[C@H](/C(=C/C[C@@H]3[C@@H]([C@H]1O)OC(=O)C3=C)/C2)OO
InChI: InChI=1S/C15H20O5/c1-8-10-4-3-9-7-15(2,6-5-11(9)20-18)13(16)12(10)19-14(8)17/h3,10-13,16,18H,1,4-7H2,2H3/b9-3+/t10-,11+,12-,13+,15+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@]([C@@H]3[C@H](O2)OC(O3)(C)C)(CCC=C)O)C
InChI: InChI=1S/C16H26O6/c1-6-7-8-16(17)11(10-9-18-14(2,3)20-10)19-13-12(16)21-15(4,5)22-13/h6,10-13,17H,1,7-9H2,2-5H3/t10-,11-,12+,13-,16-/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)NC(=O)COC2=CC3=CC=CC=C3C=C2)NC(=O)COC4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C30H30N2O4/c33-29(19-35-25-15-13-21-7-1-3-9-23(21)17-25)31-27-11-5-6-12-28(27)32-30(34)20-36-26-16-14-22-8-2-4-10-24(22)18-26/h1-4,7-10,13-18,27-28H,5-6,11-12,19-20H2,(H,31,33)(H,32,34)/t27-,28-/m1/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=C[C@]([C@@H]3C2=O)(O4)CO)C
InChI: InChI=1S/C17H17NO4/c1-9-3-4-11(10(2)7-9)18-15(20)13-12-5-6-17(8-19,22-12)14(13)16(18)21/h3-7,12-14,19H,8H2,1-2H3/t12-,13-,14-,17-/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](OCCO2)OC(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C20H20O6/c1-13-3-7-15(8-4-13)17(21)25-19-20(24-12-11-23-19)26-18(22)16-9-5-14(2)6-10-16/h3-10,19-20H,11-12H2,1-2H3/t19-,20-/m1/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)O
InChI: InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14,16-18,24H,4-12H2,1-3H3/t14-,16+,17-,18-,19-,20-,21-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[C@@H]([C@@H]1O[Si](C)(C)C(C)(C)C)CI)CC#N
InChI: InChI=1S/C19H38INO3Si2/c1-18(2,3)25(7,8)23-16-14(11-12-21)22-15(13-20)17(16)24-26(9,10)19(4,5)6/h14-17H,11,13H2,1-10H3/t14-,15-,16+,17+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)C)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)N9CCOCC9)O
InChI: InChI=1S/C45H44N4O7/c1-3-56-38-25-28(11-20-37(38)50)40-33-18-19-34-39(43(53)48(41(34)51)32-16-14-31(15-17-32)47-21-23-55-24-22-47)35(33)26-36-42(52)49(46-30-12-9-27(2)10-13-30)44(54)45(36,40)29-7-5-4-6-8-29/h4-18,20,25,34-36,39-40,46,50H,3,19,21-24,26H2,1-2H3/t34-,35+,36-,39-,40-,45+/m0/s1
SMILES: CC(=O)OCC(=O)C1(CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CCC2C1)CCC4=O)C)C)OC(=O)C
InChI: InChI=1S/C25H36O6/c1-15(26)30-14-22(29)25(31-16(2)27)12-11-23(3)17(13-25)5-6-18-19-7-8-21(28)24(19,4)10-9-20(18)23/h17-20H,5-14H2,1-4H3/t17?,18-,19-,20-,23-,24-,25?/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C23H21NO4/c1-13-5-7-14(8-6-13)23(27)28-18-4-2-3-17(12-18)24-21(25)19-15-9-10-16(11-15)20(19)22(24)26/h2-8,12,15-16,19-20H,9-11H2,1H3/t15-,16-,19-,20-/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N4CCCN4[C@@H]3C2=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C21H20FN3O2/c1-13-3-9-16(10-4-13)25-20(26)17-18(14-5-7-15(22)8-6-14)23-11-2-12-24(23)19(17)21(25)27/h3-10,17-19H,2,11-12H2,1H3/t17-,18+,19-/m0/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(C(=C5)I)O)OC)C(=O)N(C4=O)CCCC(=O)O
InChI: InChI=1S/C28H26INO8/c1-12-8-19(31)24-17(25(12)34)11-16-14(22(24)13-9-18(29)26(35)20(10-13)38-2)5-6-15-23(16)28(37)30(27(15)36)7-3-4-21(32)33/h5,8-10,15-16,22-23,35H,3-4,6-7,11H2,1-2H3,(H,32,33)/t15-,16+,22-,23-/m0/s1
SMILES: CCOC(=O)C[C@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C27H42O4/c1-6-30-25(29)15-17(2)22-9-10-23-21-8-7-19-16-20(31-18(3)28)11-13-26(19,4)24(21)12-14-27(22,23)5/h7,17,20-24H,6,8-16H2,1-5H3/t17-,20-,21+,22+,23-,24+,26-,27+/m0/s1
SMILES: CC1=CC=C(C=C1)CC2=CC=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C20H24O6/c1-12-6-8-13(9-7-12)10-14-4-2-3-5-15(14)25-20-19(24)18(23)17(22)16(11-21)26-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
SMILES: COC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)O[C@H]3CCOC3)C4=CN=CO4.C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
InChI: InChI=1S/C23H24N4O6.C8H12N4O5/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18;9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28);2-5,8,13-15H,1H2,(H2,9,16)/t18-;3-,4-,5-,8-/m01/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7
InChI: InChI=1S/C38H30BrCl2N3O8/c1-50-28-15-19(16-29(51-2)31(28)45)7-14-25-22-12-13-23-30(24(22)17-37(40)35(48)43(18-39)36(49)38(25,37)41)34(47)44(33(23)46)21-10-8-20(9-11-21)32-42-26-5-3-4-6-27(26)52-32/h3-12,14-16,23-25,30,45H,13,17-18H2,1-2H3/t23-,24+,25-,30-,37+,38-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C=CC[C@@H]4O)C)O)F
InChI: InChI=1S/C20H27FO3/c1-18-11-17(24)20(21)15(14(18)4-3-5-16(18)23)7-6-12-10-13(22)8-9-19(12,20)2/h3-4,10,14-17,23-24H,5-9,11H2,1-2H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](S[C@H]([C@@H]2O1)N3C=NC4=C(N=C(N=C43)Cl)N)CO)C
InChI: InChI=1S/C13H16ClN5O3S/c1-13(2)21-7-5(3-20)23-11(8(7)22-13)19-4-16-6-9(15)17-12(14)18-10(6)19/h4-5,7-8,11,20H,3H2,1-2H3,(H2,15,17,18)/t5-,7-,8-,11-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]2C[C@H](N1CC3=CC=CC=C3)C=C2
InChI: InChI=1S/C20H31NOSi/c1-20(2,3)23(4,5)22-15-19-17-11-12-18(13-17)21(19)14-16-9-7-6-8-10-16/h6-12,17-19H,13-15H2,1-5H3/t17-,18+,19+/m0/s1
SMILES: CC(=C)[C@@H]1[C@H]2[C@@H]3[C@]4([C@@]([C@@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C
InChI: InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10-,13+,14+,15+/m1/s1
SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1C[C@@H]([C@@]3([C@@H]2C(=O)C4=C(O3)C=C(OC4=O)C5=CN=C(C=C5)Cl)C)O[Si](C)(C)C)(C)CO[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C34H52ClNO7Si3/c1-32-16-15-25(42-45(7,8)9)33(2,20-39-44(4,5)6)24(32)18-26(43-46(10,11)12)34(3)30(32)29(37)28-23(41-34)17-22(40-31(28)38)21-13-14-27(35)36-19-21/h13-14,17,19,24-26,30H,15-16,18,20H2,1-12H3/t24-,25+,26+,30-,32+,33+,34-/m1/s1
SMILES: CC[C@@H]1C(C(C2CC[C@@H]3[C@@H]4C2=C1CN([C@@]4(COC3OCC5=C(C=C(C=C5)F)C(F)(F)F)C)C(=O)OC(C)(C)C)COC)COC
InChI: InChI=1S/C34H47F4NO6/c1-8-21-24-14-39(31(40)45-32(2,3)4)33(5)18-44-30(43-15-19-9-10-20(35)13-27(19)34(36,37)38)23-12-11-22(28(24)29(23)33)26(17-42-7)25(21)16-41-6/h9-10,13,21-23,25-26,29-30H,8,11-12,14-18H2,1-7H3/t21-,22?,23+,25?,26?,29+,30?,33+/m0/s1
SMILES: C[C@@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC=O)C)C
InChI: InChI=1S/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18-20,22-26H,6-8,10-17H2,1-5H3/t20-,22-,23-,24+,25+,26-,27-,28+/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)N
InChI: InChI=1S/C35H50N4O3/c1-35(2,3)38-34(42)30-19-24-13-7-8-15-26(24)21-39(30)22-28(36)18-27(17-23-11-5-4-6-12-23)33(41)37-32-29-16-10-9-14-25(29)20-31(32)40/h4-6,9-12,14,16,24,26-28,30-32,40H,7-8,13,15,17-22,36H2,1-3H3,(H,37,41)(H,38,42)/t24-,26+,27+,28-,30-,31+,32-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Br)O)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=CC(=C8)C(=O)O
InChI: InChI=1S/C39H28BrClFN3O7/c40-21-6-15-31(46)29(17-21)33-26-13-14-27-32(36(49)44(34(27)47)25-3-1-2-19(16-25)37(50)51)28(26)18-30-35(48)45(43-24-11-9-23(42)10-12-24)38(52)39(30,33)20-4-7-22(41)8-5-20/h1-13,15-17,27-28,30,32-33,43,46H,14,18H2,(H,50,51)/t27-,28+,30-,32-,33+,39+/m0/s1
SMILES: C[C@@H]1C=C[C@@H]2CCCC[C@H]2[C@@H]1C(=O)N3[C@@H](COC3=O)CC4=CC=CC=C4
InChI: InChI=1S/C22H27NO3/c1-15-11-12-17-9-5-6-10-19(17)20(15)21(24)23-18(14-26-22(23)25)13-16-7-3-2-4-8-16/h2-4,7-8,11-12,15,17-20H,5-6,9-10,13-14H2,1H3/t15-,17+,18-,19-,20-/m1/s1
SMILES: CN1CCN2[C@@H](C1)C[C@H]3[C@H]2C4=C(CC5=CC=CC=C35)C=CC(=C4)F
InChI: InChI=1S/C21H23FN2/c1-23-8-9-24-17(13-23)12-20-18-5-3-2-4-14(18)10-15-6-7-16(22)11-19(15)21(20)24/h2-7,11,17,20-21H,8-10,12-13H2,1H3/t17-,20-,21-/m1/s1
SMILES: COC(=O)CCC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C17H29NO13/c1-28-9(22)3-2-8(21)18-16-13(26)12(25)15(7(5-20)29-16)31-17-14(27)11(24)10(23)6(4-19)30-17/h6-7,10-17,19-20,23-27H,2-5H2,1H3,(H,18,21)/t6-,7-,10+,11+,12-,13-,14-,15-,16-,17+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C)[C@@H]1C5=CC=CC(=C5O)CC=C)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C29H28N4O5/c1-4-9-17-10-8-13-20(24(17)34)23-19-14-15-31-27(37)30(3)28(38)33(31)22(19)16-21-25(35)32(26(36)29(21,23)2)18-11-6-5-7-12-18/h4-8,10-14,21-23,34H,1,9,15-16H2,2-3H3/t21-,22+,23+,29+/m0/s1
SMILES: C1[C@H]([C@@H]([C@@H](C=C1C(=O)N[C@H](CC#N)C(=O)N)NC(=O)CC[NH3+])O)O
InChI: InChI=1S/C14H21N5O5/c15-3-1-8(13(17)23)19-14(24)7-5-9(12(22)10(20)6-7)18-11(21)2-4-16/h5,8-10,12,20,22H,1-2,4,6,16H2,(H2,17,23)(H,18,21)(H,19,24)/p+1/t8-,9-,10-,12-/m1/s1
SMILES: C[C@]12C[C@@]3(C4CC1(C4(C(O2)O3)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI: InChI=1S/C16H24O10/c1-13-4-15(22)7-2-16(13,14(7,5-18)12(25-13)26-15)24-11-10(21)9(20)8(19)6(3-17)23-11/h6-12,17-22H,2-5H2,1H3/t6-,7?,8-,9+,10-,11+,12?,13+,14?,15-,16?/m1/s1
SMILES: CC(=O)[C@@]12CC(=C(C[C@@H]1C(=O)N(C3=CC=CC=C23)C)OC)OC
InChI: InChI=1S/C18H21NO4/c1-11(20)18-10-16(23-4)15(22-3)9-13(18)17(21)19(2)14-8-6-5-7-12(14)18/h5-8,13H,9-10H2,1-4H3/t13-,18-/m1/s1
SMILES: CCCCCCCO[C@@H]1[C@@H]2[C@H](O[C@@H]1C(CN3CCOCC3)OC(=O)NS(=O)(=O)C4=CC=C(C=C4)C)OC(O2)(C)C.Cl
InChI: InChI=1S/C28H44N2O9S.ClH/c1-5-6-7-8-9-16-35-24-23(37-26-25(24)38-28(3,4)39-26)22(19-30-14-17-34-18-15-30)36-27(31)29-40(32,33)21-12-10-20(2)11-13-21;/h10-13,22-26H,5-9,14-19H2,1-4H3,(H,29,31);1H/t22?,23-,24+,25-,26-;/m1./s1
SMILES: CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
InChI: InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2)N=C[C]4[CH][CH][CH][CH]4)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C25H30NO/c1-25-12-11-22-21-10-8-20(27-2)13-18(21)7-9-23(22)24(25)14-19(15-25)26-16-17-5-3-4-6-17/h3-6,8,10,13,16,19,22-24H,7,9,11-12,14-15H2,1-2H3/t19-,22-,23-,24+,25-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](CC1=O)C(C)(C)Cl)C(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C17H21ClO3/c1-11-14(19)9-13(17(2,3)18)15(11)16(20)21-10-12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3/t11-,13+,15+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=C(C=C6)OC(F)(F)F)S(=O)(=O)C)O)C(=C5)C(=O)C7=CC=CC=C7)O)C
InChI: InChI=1S/C38H44F3NO6S/c1-33-16-13-27(43)21-35(33)19-20-37(29(22-35)32(44)26-7-5-4-6-8-26)30(33)14-17-34(2)31(37)15-18-36(34,45)24-42(49(3,46)47)23-25-9-11-28(12-10-25)48-38(39,40)41/h4-12,19-20,22,27,30-31,43,45H,13-18,21,23-24H2,1-3H3/t27?,30-,31-,33-,34+,35+,36-,37-/m1/s1
SMILES: CC(C)OC(=O)[C@@H]1[C@H]([C@@H]([C@](CC1=O)(C)O)C(=O)OC(C)C)C2=CC(=CC=C2)O
InChI: InChI=1S/C21H28O7/c1-11(2)27-19(24)17-15(23)10-21(5,26)18(20(25)28-12(3)4)16(17)13-7-6-8-14(22)9-13/h6-9,11-12,16-18,22,26H,10H2,1-5H3/t16-,17+,18-,21-/m1/s1
SMILES: CC(=O)O[C@]1(CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)C
InChI: InChI=1S/C22H34O3/c1-14(23)25-22(4)12-9-19-17-6-5-15-13-16(24)7-10-20(15,2)18(17)8-11-21(19,22)3/h15,17-19H,5-13H2,1-4H3/t15-,17+,18-,19+,20-,21-,22-/m0/s1
SMILES: C[C@@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)[C@H]([C@@]3([C@H](O3)CCOCC4=CC=CC=C4)C)O
InChI: InChI=1S/C32H42O4Si/c1-25(30(33)32(5)29(36-32)21-22-34-24-26-15-9-6-10-16-26)23-35-37(31(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,25,29-30,33H,21-24H2,1-5H3/t25-,29+,30+,32-/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)C2CCC(CC2)N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)Cl
InChI: InChI=1S/C23H27ClN2O3/c1-12-2-7-16(11-18(12)24)25-21(27)13-5-8-17(9-6-13)26-22(28)19-14-3-4-15(10-14)20(19)23(26)29/h2,7,11,13-15,17,19-20H,3-6,8-10H2,1H3,(H,25,27)/t13?,14-,15+,17?,19-,20+
SMILES: C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2[C@H]3[C@@H](O3)C(=O)OC4=CC=CC=C4
InChI: InChI=1S/C29H32O3/c30-29(31-25-20-11-6-12-21-25)28-27(32-28)26-22-14-13-19-24(26)18-10-4-2-1-3-7-15-23-16-8-5-9-17-23/h5-6,8-9,11-14,16-17,19-22,27-28H,1-4,7,10,15,18H2/t27-,28+/m0/s1
SMILES: C[C@]12C=C[C@H]([C@H]3[C@@H]1C(=O)OC3)[C@@H]([C@@H]2O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C17H28O4Si/c1-16(2,3)22(5,6)21-13-10-7-8-17(4,14(13)18)12-11(10)9-20-15(12)19/h7-8,10-14,18H,9H2,1-6H3/t10-,11+,12-,13+,14+,17+/m1/s1
SMILES: CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC3=NC=CC(=N3)C4=CC(=CC=C4)F
InChI: InChI=1S/C18H19FN4O3/c1-10(24)21-14-8-25-17-15(9-26-16(14)17)23-18-20-6-5-13(22-18)11-3-2-4-12(19)7-11/h2-7,14-17H,8-9H2,1H3,(H,21,24)(H,20,22,23)/t14-,15-,16+,17+/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)CO
InChI: InChI=1S/C31H48N2O6SSi/c1-8-9-10-16-30(21-34)18-23-19-32-28(35)39-26(20-38-41(6,7)29(3,4)5)31(32)25(23)15-17-33(27(30)31)40(36,37)24-13-11-22(2)12-14-24/h8,11-14,23,25-27,34H,1,9-10,15-21H2,2-7H3/t23-,25+,26+,27-,30-,31+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)[O-])C3=CC4=C(C=C3)OC5=C4C=CC(=C5)C[N+]6=CC=CC=C6N)O
InChI: InChI=1S/C27H23N3O5/c1-14(31)24-20-12-18(25(27(33)34)30(20)26(24)32)16-6-8-21-19(11-16)17-7-5-15(10-22(17)35-21)13-29-9-3-2-4-23(29)28/h2-11,14,20,24,28,31H,12-13H2,1H3,(H,33,34)/t14-,20-,24-/m1/s1
SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3CN(CC[C@@H]3NC(=S)C(=O)NC4=NC=C(C=C4)F)C(=O)OC
InChI: InChI=1S/C22H26FN7O4S2/c1-29-7-5-14-16(11-29)36-21(27-14)19(32)25-15-10-30(22(33)34-2)8-6-13(15)26-20(35)18(31)28-17-4-3-12(23)9-24-17/h3-4,9,13,15H,5-8,10-11H2,1-2H3,(H,25,32)(H,26,35)(H,24,28,31)/t13-,15+/m0/s1
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2[C@H]([C@@H]([C@H]5[C@@H]4O5)O)O
InChI: InChI=1S/C18H14O3/c19-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)17-18(21-17)16(15)20/h1-8,15-20H/t15-,16+,17-,18+/m1/s1
SMILES: CCCOC(=O)[C@H]1C[C@@H]([C@@]2([C@@H]1[C@@H]3CCC4=C([C@H]3CC2)C=CC(=C4)O)C)O
InChI: InChI=1S/C22H30O4/c1-3-10-26-21(25)18-12-19(24)22(2)9-8-16-15-7-5-14(23)11-13(15)4-6-17(16)20(18)22/h5,7,11,16-20,23-24H,3-4,6,8-10,12H2,1-2H3/t16-,17-,18+,19+,20-,22-/m1/s1
SMILES: CC(C)(C)C(C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=N2)[C@@H](CC(CC3=CC=CC=C3)NC(=O)OC4CO[C@@H]5[C@H]4CCO5)O)NC(=O)OC
InChI: InChI=1S/C38H48N4O8/c1-38(2,3)33(42-36(45)47-4)34(44)41-30(21-25-13-15-26(16-14-25)29-12-8-9-18-39-29)31(43)22-27(20-24-10-6-5-7-11-24)40-37(46)50-32-23-49-35-28(32)17-19-48-35/h5-16,18,27-28,30-33,35,43H,17,19-23H2,1-4H3,(H,40,46)(H,41,44)(H,42,45)/t27?,28-,30?,31+,32?,33?,35+/m0/s1
SMILES: CCOC(=O)OC/C=C/[C@H](C)[C@@H]1[C@H](C(=O)N1)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H35NO5Si/c1-9-23-18(22)24-12-10-11-13(2)16-15(17(21)20-16)14(3)25-26(7,8)19(4,5)6/h10-11,13-16H,9,12H2,1-8H3,(H,20,21)/b11-10+/t13-,14+,15+,16+/m0/s1
SMILES: C1CN2[C@@H]([C@H]1NC(=O)CCC(=O)[O-])C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CO4
InChI: InChI=1S/C20H19N3O6/c24-16(5-6-17(25)26)21-14-7-8-23-18(14)19(27)22-13-4-3-11(10-12(13)20(23)28)15-2-1-9-29-15/h1-4,9-10,14,18H,5-8H2,(H,21,24)(H,22,27)(H,25,26)/p-1/t14-,18-/m0/s1