EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1(OC[C@@]2([C@@H]([C@H]([C@H]([C@@H]2O1)OCC3=CC=CC=C3)O)NC(=O)N[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)O)C
InChI: InChI=1S/C51H58N2O11/c1-50(2)62-34-51(56)46(41(54)43(47(51)64-50)59-30-37-22-12-5-13-23-37)52-49(55)53-48-45(61-32-39-26-16-7-17-27-39)44(60-31-38-24-14-6-15-25-38)42(58-29-36-20-10-4-11-21-36)40(63-48)33-57-28-35-18-8-3-9-19-35/h3-27,40-48,54,56H,28-34H2,1-2H3,(H2,52,53,55)/t40-,41+,42-,43-,44+,45-,46-,47+,48+,51+/m1/s1
SMILES: CC1(OC2=C(O1)C=C3C(=C2)[C@H]([C@H]([C@H]4C3=NOC4)C(=O)OC)C5=CC(=C(C(=C5)OC)O)OC)C
InChI: InChI=1S/C24H25NO8/c1-24(2)32-15-8-12-13(9-16(15)33-24)21-14(10-31-25-21)20(23(27)30-5)19(12)11-6-17(28-3)22(26)18(7-11)29-4/h6-9,14,19-20,26H,10H2,1-5H3/t14-,19+,20-/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@@H]4C[C@H]4C(C)(C)C)C
InChI: InChI=1S/C18H29NO3S/c1-16(2,3)13-9-12(13)15(20)19-14-8-11-6-7-18(14,17(11,4)5)10-23(19,21)22/h11-14H,6-10H2,1-5H3/t11-,12-,13-,14-,18-/m1/s1
SMILES: C[C@@]12CCC[C@@H]3[C@@H]1N(C4=CC=CC=C24)C(=O)C(C3=O)(Cl)Cl
InChI: InChI=1S/C16H15Cl2NO2/c1-15-8-4-5-9-12(15)19(11-7-3-2-6-10(11)15)14(21)16(17,18)13(9)20/h2-3,6-7,9,12H,4-5,8H2,1H3/t9-,12+,15+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3([C@H]4N2N=CC5=CC=CC=C45)C(=O)C6=CC=CC=C6C3=O)C7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C32H20Cl2N2O3/c33-20-14-15-24(25(34)16-20)26-27(28(37)18-8-2-1-3-9-18)36-29(21-11-5-4-10-19(21)17-35-36)32(26)30(38)22-12-6-7-13-23(22)31(32)39/h1-17,26-27,29H/t26-,27+,29-/m0/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)F)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C33H44FO11P/c1-31(2,3)28(35)39-20-23-25(41-29(36)32(4,5)6)26(42-30(37)33(7,8)9)24(34)27(40-23)45-46(38,43-21-16-12-10-13-17-21)44-22-18-14-11-15-19-22/h10-19,23-27H,20H2,1-9H3/t23-,24-,25-,26-,27-/m1/s1
SMILES: C1CN([C@H]2[C@@H]1C(=O)[C@]2(CCCCl)Cl)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C17H19Cl2NO3/c18-9-4-8-17(19)14-13(15(17)21)7-10-20(14)16(22)23-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t13-,14+,17-/m1/s1
SMILES: C1[C@H]([C@H](OC2=C1C(=C(C=C2)Cl)Cl)C(F)(F)F)C(=O)O
InChI: InChI=1S/C11H7Cl2F3O3/c12-6-1-2-7-4(8(6)13)3-5(10(17)18)9(19-7)11(14,15)16/h1-2,5,9H,3H2,(H,17,18)/t5-,9+/m1/s1
SMILES: CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@@]6([C@]5([C@H]4C6)C=O)O)OC)O)OC)OC)O)COC
InChI: InChI=1S/C25H39NO8/c1-6-26-10-21(12-31-2)14(28)7-15(32-3)25-13-8-23(29)16(33-4)9-24(30,22(13,23)11-27)17(20(25)26)18(34-5)19(21)25/h11,13-20,28-30H,6-10,12H2,1-5H3/t13-,14-,15+,16+,17+,18+,19-,20?,21+,22-,23+,24+,25+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)F)C4=C(C(=CC=C4)Cl)Cl
InChI: InChI=1S/C18H14Cl2FN/c19-15-6-2-5-13(17(15)20)18-12-4-1-3-11(12)14-9-10(21)7-8-16(14)22-18/h1-3,5-9,11-12,18,22H,4H2/t11-,12-,18-/m0/s1
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N[C@@H]3CCCC[C@@H]3C
InChI: InChI=1S/C22H28N2O4S/c1-3-28-19-11-13-20(14-12-19)29(26,27)24-18-9-6-8-17(15-18)22(25)23-21-10-5-4-7-16(21)2/h6,8-9,11-16,21,24H,3-5,7,10H2,1-2H3,(H,23,25)/t16-,21+/m0/s1
SMILES: C[C@@]1(CC[C@@]2(C(=O)C[C@H]1C2=O)C)C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C18H22O4/c1-17(12-6-5-11(21-3)9-14(12)22-4)7-8-18(2)15(19)10-13(17)16(18)20/h5-6,9,13H,7-8,10H2,1-4H3/t13-,17+,18+/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@@H]3CC[C@@]4([C@@H]([C@@H]3CC=C2C1)CC[C@@H]4C(=O)O)C)C
InChI: InChI=1S/C22H32O4/c1-13(23)26-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(24)25)22(17,3)11-9-18(16)21/h4,15-19H,5-12H2,1-3H3,(H,24,25)/t15-,16+,17-,18-,19-,21-,22-/m1/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=C\3/C(=O)N(C(=S)S3)CCCCC(=O)[O-]
InChI: InChI=1S/C17H19NO4S2/c1-10-8-12(10)13-6-5-11(22-13)9-14-16(21)18(17(23)24-14)7-3-2-4-15(19)20/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,19,20)/p-1/b14-9-/t10-,12+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@H](O2)[C@@H](C(=C)C#N)O)C
InChI: InChI=1S/C11H15NO4/c1-6(4-12)8(13)10-9(15-10)7-5-14-11(2,3)16-7/h7-10,13H,1,5H2,2-3H3/t7-,8-,9+,10-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)N(C)C
InChI: InChI=1S/C19H28N2O3/c1-13-8-5-6-11-17(13)20-18(22)14(2)24-19(23)15-9-7-10-16(12-15)21(3)4/h7,9-10,12-14,17H,5-6,8,11H2,1-4H3,(H,20,22)/t13-,14-,17-/m1/s1
SMILES: C[C@H]1CC[C@H](C[C@H]1OC(=O)C2=C(NC(=O)[C@@H]2CC(=O)O)C)C(C)C
InChI: InChI=1S/C18H27NO5/c1-9(2)12-6-5-10(3)14(7-12)24-18(23)16-11(4)19-17(22)13(16)8-15(20)21/h9-10,12-14H,5-8H2,1-4H3,(H,19,22)(H,20,21)/t10-,12+,13+,14+/m0/s1
SMILES: CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC[C@H]3[C@@H]2CCCC3
InChI: InChI=1S/C20H27N3O5/c1-21(2)18-10-9-15(23(26)27)12-16(18)20(25)28-13-19(24)22-11-5-7-14-6-3-4-8-17(14)22/h9-10,12,14,17H,3-8,11,13H2,1-2H3/t14-,17-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)N[C@H](C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)F
InChI: InChI=1S/C39H40FNO18/c1-10-5-17-23(30(48)20(10)36(52)41-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(42)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(40)12(3)57-39)59-38-32(50)29(47)19(43)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,42-43,46-51H,9H2,1-4H3,(H,41,52)(H,53,54)/t11-,12+,19-,25-,28+,29+,32-,33+,34+,35-,38+,39-/m1/s1
SMILES: C1CN2[C@@H]([C@H]1[NH3+])C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4F
InChI: InChI=1S/C18H16FN3O2/c19-13-4-2-1-3-11(13)10-5-6-15-12(9-10)18(24)22-8-7-14(20)16(22)17(23)21-15/h1-6,9,14,16H,7-8,20H2,(H,21,23)/p+1/t14-,16-/m0/s1
SMILES: CCC(C)C(C(=O)OCOC(=O)OC1=C(C=CC(=C1[C@@H]2C[C@@H]2NC(=O)NC3=NC=C(C=C3)Br)F)C(=O)CC)N
InChI: InChI=1S/C26H30BrFN4O7/c1-4-13(3)22(29)24(34)37-12-38-26(36)39-23-15(19(33)5-2)7-8-17(28)21(23)16-10-18(16)31-25(35)32-20-9-6-14(27)11-30-20/h6-9,11,13,16,18,22H,4-5,10,12,29H2,1-3H3,(H2,30,31,32,35)/t13?,16-,18+,22?/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3CC(=O)[C@H]3CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C38H46O3Si2/c1-37(2,3)42(31-19-11-7-12-20-31,32-21-13-8-14-22-32)40-28-30-27-36(39)35(30)29-41-43(38(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30,35H,27-29H2,1-6H3/t30-,35-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C[C@H]2[C@@H](C[C@H](O2)N3C=C(C(=O)NC3=O)I)O
InChI: InChI=1S/C16H17IN2O6S/c1-9-2-4-10(5-3-9)26(23,24)8-13-12(20)6-14(25-13)19-7-11(17)15(21)18-16(19)22/h2-5,7,12-14,20H,6,8H2,1H3,(H,18,21,22)/t12-,13+,14+/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N
InChI: InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CCCOC(=O)CBr)O)CCC4=C3C=CC(=C4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H45BrO4Si/c1-27(2,3)35(5,6)34-21-9-11-22-20(18-21)8-10-24-23(22)12-15-28(4)25(24)13-16-29(28,32)14-7-17-33-26(31)19-30/h9,11,18,23-25,32H,7-8,10,12-17,19H2,1-6H3/t23-,24-,25+,28+,29+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CN[C@@H](C)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C18H27ClN2O/c1-12-5-4-6-17(13(12)2)21-18(22)11-20-14(3)15-7-9-16(19)10-8-15/h7-10,12-14,17,20H,4-6,11H2,1-3H3,(H,21,22)/t12-,13+,14-,17+/m0/s1
SMILES: C[C@H]1[C@H]2C[C@@H](C1(C)C)[C@@H](C2=O)S(=O)(=O)N3CCCCC3
InChI: InChI=1S/C15H25NO3S/c1-10-11-9-12(15(10,2)3)14(13(11)17)20(18,19)16-7-5-4-6-8-16/h10-12,14H,4-9H2,1-3H3/t10-,11+,12+,14-/m0/s1
SMILES: CC1=CC=CC=C1CNC(=O)C2(CCCC2)NC(=O)[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](COC5=CC=CC=C45)O)O
InChI: InChI=1S/C35H41N3O6/c1-23-11-5-6-14-25(23)21-36-34(43)35(17-9-10-18-35)38-33(42)28(39)20-26(19-24-12-3-2-4-13-24)32(41)37-31-27-15-7-8-16-30(27)44-22-29(31)40/h2-8,11-16,26,28-29,31,39-40H,9-10,17-22H2,1H3,(H,36,43)(H,37,41)(H,38,42)/t26-,28+,29-,31+/m1/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O
InChI: InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)24-16-25(30)26-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h7-8,17-21,23-24,29H,9-16H2,1-6H3/b8-7+/t18-,19+,20-,21-,23-,24+,27-,28+/m0/s1
SMILES: C[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)N(C2=O)N)F)O[Si](C)(C)C
InChI: InChI=1S/C15H28FN3O5Si2/c1-25(2,3)22-9-12-11(24-26(4,5)6)7-13(23-12)18-8-10(16)14(20)19(17)15(18)21/h8,11-13H,7,9,17H2,1-6H3/t11-,12+,13+/m0/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)NCC2=CC=CC3=CC=CC=C32)C(=O)C4=CC(=NC=C4)Cl
InChI: InChI=1S/C26H28ClN3O2/c1-2-18-17-30(26(32)21-10-12-28-24(27)14-21)13-11-20(18)15-25(31)29-16-22-8-5-7-19-6-3-4-9-23(19)22/h3-10,12,14,18,20H,2,11,13,15-17H2,1H3,(H,29,31)/t18-,20-/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)COC3=CC=CC=C3)S(=O)C1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C31H28N2O8S/c1-20(34)39-17-23-19-42(38)30-26(32-25(35)18-40-24-15-9-4-10-16-24)29(36)33(30)27(23)31(37)41-28(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,26,28,30H,17-19H2,1H3,(H,32,35)/t26-,30-,42?/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N(C)C2CCCCC2)C3=COC4=CC=CC=C4C3=O)CCCO
InChI: InChI=1S/C27H35NO6/c1-3-32-27-19(13-9-15-29)21(22-17-33-23-14-8-7-12-20(23)25(22)30)16-24(34-27)26(31)28(2)18-10-5-4-6-11-18/h7-8,12,14,16-19,21,27,29H,3-6,9-11,13,15H2,1-2H3/t19-,21-,27+/m1/s1
SMILES: CO[C@H]1C(=O)[C@@]2([C@H]3C[C@@H]([C@@H]2[C@H](O1)COC(=O)C4=CC=CC=C4)C=C3)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C26H24O7/c1-30-25-22(27)26(33-24(29)17-10-6-3-7-11-17)19-13-12-18(14-19)21(26)20(32-25)15-31-23(28)16-8-4-2-5-9-16/h2-13,18-21,25H,14-15H2,1H3/t18-,19+,20+,21+,25+,26-/m0/s1
SMILES: COC(=O)[C@@H]1[C@@H]2C3=CC=CC=C3C=NN2C(=C1C(=O)OC)C(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H17ClN2O5/c1-29-21(27)16-17(22(28)30-2)19(20(26)12-7-9-14(23)10-8-12)25-18(16)15-6-4-3-5-13(15)11-24-25/h3-11,16,18H,1-2H3/t16-,18-/m0/s1
SMILES: CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=C(C=C2)C3=CC=CO3)O)O)O
InChI: InChI=1S/C30H40O6/c1-21(2)36-30(34)10-6-4-3-5-8-25-26(28(33)20-27(25)32)18-17-24(31)16-13-22-11-14-23(15-12-22)29-9-7-19-35-29/h3,5,7,9,11-12,14-15,17-19,21,24-28,31-33H,4,6,8,10,13,16,20H2,1-2H3/b5-3-,18-17+/t24-,25+,26+,27-,28+/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)C)O)C)O)C)C=NN5C6=CC=C(C=C6)F)C
InChI: InChI=1S/C30H35FN2O3/c1-16-10-22-24-11-17(2)30(36,18(3)34)29(24,5)14-26(35)27(22)28(4)13-19-15-32-33(25(19)12-23(16)28)21-8-6-20(31)7-9-21/h6-10,12,15,17,22,24,26-27,35-36H,11,13-14H2,1-5H3/t17-,22+,24+,26+,27-,28+,29+,30+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O[C@H]2C=CO[C@H]3[C@H]2O[C@@H](OC3)C4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C41H42O10/c1-43-41-38(47-26-30-18-10-4-11-19-30)36(46-25-29-16-8-3-9-17-29)35(45-24-28-14-6-2-7-15-28)37(51-41)39(42)49-32-22-23-44-33-27-48-40(50-34(32)33)31-20-12-5-13-21-31/h2-23,32-38,40-41H,24-27H2,1H3/t32-,33+,34-,35+,36-,37-,38+,40+,41-/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@H](O2)/C=C/C=C/C(=N\OCC(=O)N3CCCCC3)/CC4=C(C(=CC(=C4Cl)O)O)C(=O)O1
InChI: InChI=1S/C25H29ClN2O7/c1-15-11-21-20(35-21)8-4-3-7-16(27-33-14-22(31)28-9-5-2-6-10-28)12-17-23(25(32)34-15)18(29)13-19(30)24(17)26/h3-4,7-8,13,15,20-21,29-30H,2,5-6,9-12,14H2,1H3/b7-3+,8-4+,27-16+/t15-,20-,21-/m1/s1
SMILES: C[C@H]1CC(=C[C@@H]([C@@H]1[C@@H]2OC[C@@H](O2)C[NH+]3CCCC3)C)C
InChI: InChI=1S/C17H29NO2/c1-12-8-13(2)16(14(3)9-12)17-19-11-15(20-17)10-18-6-4-5-7-18/h8,13-17H,4-7,9-11H2,1-3H3/p+1/t13-,14-,15-,16-,17+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C17H29N3O5Si/c1-11-9-20(16(23)19-15(11)22)14-7-12(13(24-14)8-18-10-21)25-26(5,6)17(2,3)4/h9-10,12-14H,7-8H2,1-6H3,(H,18,21)(H,19,22,23)/t12-,13+,14+/m0/s1
SMILES: CC1=C(C=C(C=C1)SCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)C
InChI: InChI=1S/C14H18ClNO3S2/c1-9-3-4-11(5-10(9)2)20-6-14(17)16-13-8-21(18,19)7-12(13)15/h3-5,12-13H,6-8H2,1-2H3,(H,16,17)/t12-,13+/m1/s1
SMILES: C1COCCN1CCCNC(=O)[C@@H]2CC3=CC=CC=C3[C@@H]2C(Cl)Cl
InChI: InChI=1S/C18H24Cl2N2O2/c19-17(20)16-14-5-2-1-4-13(14)12-15(16)18(23)21-6-3-7-22-8-10-24-11-9-22/h1-2,4-5,15-17H,3,6-12H2,(H,21,23)/t15-,16+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@H](C2)C3=CC(=C(N=C3)N(C)C)C4=CC=CC=C4
InChI: InChI=1S/C24H31N3O2/c1-24(2,3)29-23(28)27-18-11-12-21(27)19(14-18)17-13-20(16-9-7-6-8-10-16)22(25-15-17)26(4)5/h6-10,13,15,18-19,21H,11-12,14H2,1-5H3/t18-,19+,21+/m0/s1
SMILES: COC1=CC=CC(=C1)N2C(=O)[C@@H]3[C@H](C2=O)NN=C3C(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H14N4O6/c1-29-13-4-2-3-12(9-13)22-18(25)14-15(20-21-16(14)19(22)26)17(24)10-5-7-11(8-6-10)23(27)28/h2-9,14,16,21H,1H3/t14-,16+/m0/s1
SMILES: CCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OC7=CC8=CC=CC=C8C=C7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C54H59FN2O8/c1-3-30-62-54-50(57(53(60)61-4-2)35-37-20-23-42(55)24-21-37)34-48(56-63-36-38-14-6-5-7-15-38)46-32-41(18-10-12-28-58)45(19-11-13-29-59)51(52(46)54)47-33-44(26-27-49(47)65-54)64-43-25-22-39-16-8-9-17-40(39)31-43/h3,5-9,14-17,20-27,31-33,41,45,50-52,58-59H,1,4,10-13,18-19,28-30,34-36H2,2H3/t41-,45+,50-,51+,52+,54+/m0/s1
SMILES: CCCCCCCCCCCCP(=O)(C[C@H]1[C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C39H55O6P/c1-2-3-4-5-6-7-8-9-10-20-27-46(40,41)32-37-39(44-30-35-25-18-13-19-26-35)38(43-29-34-23-16-12-17-24-34)36(45-37)31-42-28-33-21-14-11-15-22-33/h11-19,21-26,36-39H,2-10,20,27-32H2,1H3,(H,40,41)/t36-,37+,38-,39-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C([C@@H]([C@]4(CC(=C3)COC(=O)CC5=CC(=C(C=C5)O)OC)O)O)C)O)OC(=O)C)OC(=O)CC6=CC=CC=C6
InChI: InChI=1S/C39H46O11/c1-21-14-30-37(45,34(21)44)19-26(20-48-31(42)18-25-12-13-28(41)29(16-25)47-6)15-27-33-36(4,5)39(33,50-23(3)40)35(22(2)38(27,30)46)49-32(43)17-24-10-8-7-9-11-24/h7-16,22,27,30,33-35,41,44-46H,17-20H2,1-6H3/t22-,27+,30-,33-,34+,35-,37-,38-,39-/m1/s1
SMILES: CC1=CC=C(S1)[C@H]2[C@H](C(=C)NC3=NC=NN23)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C19H18N4O2S/c1-12-8-9-15(26-12)17-16(13(2)22-19-20-11-21-23(17)19)18(24)25-10-14-6-4-3-5-7-14/h3-9,11,16-17H,2,10H2,1H3,(H,20,21,22)/t16-,17-/m0/s1
SMILES: CC(C)CN1C[C@H]2CC(C[C@H]2C1)COC3=C(C=C4C(=C3)N=CN=C4NC5=C(C(=C(C=C5)Cl)Cl)F)OC
InChI: InChI=1S/C27H31Cl2FN4O2/c1-15(2)10-34-11-17-6-16(7-18(17)12-34)13-36-24-9-22-19(8-23(24)35-3)27(32-14-31-22)33-21-5-4-20(28)25(29)26(21)30/h4-5,8-9,14-18H,6-7,10-13H2,1-3H3,(H,31,32,33)/t16?,17-,18+
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)[123I])C(=O)OC4=CC=CC=C4
InChI: InChI=1S/C21H22INO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3/t16-,18+,19+,20-/m0/s1/i22-4
SMILES: C1CCC2=C(C1)C[C@@H]3CCC[C@@H]2[C@@H]3N=CC4=CC=CC=C4O
InChI: InChI=1S/C20H25NO/c22-19-11-4-2-7-16(19)13-21-20-15-8-5-10-18(20)17-9-3-1-6-14(17)12-15/h2,4,7,11,13,15,18,20,22H,1,3,5-6,8-10,12H2/t15-,18-,20+/m0/s1
SMILES: C1C[C@H]2[C@@H]([C@@H]1C=C2C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C25H23P/c1-4-10-19(11-5-1)24-18-20-16-17-23(24)25(20)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18,20,23,25H,16-17H2/t20-,23+,25+/m0/s1
SMILES: CCCCCC/C=C/[C@@H]1[C@H](C(=O)CC1N2C=C(N=C2)CC(C(=O)O)N)C/C=C\CCCC(=O)O
InChI: InChI=1S/C26H39N3O5/c1-2-3-4-5-6-9-12-20-21(13-10-7-8-11-14-25(31)32)24(30)16-23(20)29-17-19(28-18-29)15-22(27)26(33)34/h7,9-10,12,17-18,20-23H,2-6,8,11,13-16,27H2,1H3,(H,31,32)(H,33,34)/b10-7-,12-9+/t20-,21-,22?,23?/m1/s1
SMILES: C[C@H]1[C@H](O[C@@H](O[C@@H]1C(C)C)C2=CC=C(C=C2)OC)CC(=O)[C@@H](C)[C@@H]([C@H](C)COCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C36H56O6Si/c1-24(2)33-27(5)32(40-35(41-33)29-17-19-30(38-9)20-18-29)21-31(37)26(4)34(42-43(10,11)36(6,7)8)25(3)22-39-23-28-15-13-12-14-16-28/h12-20,24-27,32-35H,21-23H2,1-11H3/t25-,26-,27+,32-,33-,34-,35+/m1/s1
SMILES: C=C1[C@@H]2C[C@H](C1=C(Cl)Cl)[C@@H]3[C@H]2[C@H](C=CS3=O)C4=CC=CC=C4
InChI: InChI=1S/C18H16Cl2OS/c1-10-13-9-14(15(10)18(19)20)17-16(13)12(7-8-22(17)21)11-5-3-2-4-6-11/h2-8,12-14,16-17H,1,9H2/t12-,13+,14-,16+,17-,22?/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N2CCN(CC2)C3=CC=C(C=C3)F
InChI: InChI=1S/C20H30FN3O/c1-15-5-3-4-6-19(15)22-20(25)16(2)23-11-13-24(14-12-23)18-9-7-17(21)8-10-18/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,22,25)/t15-,16+,19-/m0/s1
SMILES: CCCCCCCC(=O)N(CC1=CC=C(C=C1)C)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C33H43IN2O7/c1-4-5-6-7-8-9-30(39)36(20-23-12-10-22(2)11-13-23)27-18-25(33(41)35-14-15-37)19-28(31(27)40)43-32-26(34)16-24(21-38)17-29(32)42-3/h10-13,16-17,19,21,27-28,31,37,40H,4-9,14-15,18,20H2,1-3H3,(H,35,41)/t27-,28+,31+/m1/s1
SMILES: C[C@H]1COC/C(=C\C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/F)/Cl
InChI: InChI=1S/C24H34ClFN2O5S/c1-13-10-33-11-16(25)6-7-19(18(26)8-17-12-34-15(3)27-17)28-21(30)9-20(29)24(4,5)23(32)14(2)22(13)31/h6,8,12-14,19-20,22,29,31H,7,9-11H2,1-5H3,(H,28,30)/b16-6+,18-8-/t13-,14+,19-,20-,22-/m0/s1
SMILES: CCCS[C@H]1[C@@H](C2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C(C#N)C#N
InChI: InChI=1S/C50H38N6S/c1-2-29-57-50-47(36(30-51)31-52)48-45(34-19-11-5-12-20-34)41-27-25-39(54-41)43(32-15-7-3-8-16-32)37-23-24-38(53-37)44(33-17-9-4-10-18-33)40-26-28-42(55-40)46(49(50)56-48)35-21-13-6-14-22-35/h3-28,36,47,50,54-55H,2,29H2,1H3/t47-,50+/m1/s1
SMILES: CC1=C(O[C@H]2[C@H]1C=C3C(=C(C(=O)OC3=C2)C4=CC=CC=C4)C)/C(=N\O)/C5=CC=CC=C5
InChI: InChI=1S/C26H21NO4/c1-15-19-13-20-16(2)25(24(27-29)18-11-7-4-8-12-18)30-21(20)14-22(19)31-26(28)23(15)17-9-5-3-6-10-17/h3-14,20-21,29H,1-2H3/b27-24-/t20-,21+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H](C(O1)SC)N=[N+]=[N-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C11H17N3O5S/c1-5-9(18-6(2)15)10(19-7(3)16)8(13-14-12)11(17-5)20-4/h5,8-11H,1-4H3/t5-,8-,9+,10-,11?/m0/s1
SMILES: C[C@@H]1CO[C@]2(O1)[C@@]3([C@@]([C@@]3(C(=N2)N)C#N)(C)C4=C(C=CC(=C4)OC)OC)C#N
InChI: InChI=1S/C19H20N4O4/c1-11-8-26-19(27-11)18(10-21)16(2,17(18,9-20)15(22)23-19)13-7-12(24-3)5-6-14(13)25-4/h5-7,11H,8H2,1-4H3,(H2,22,23)/t11-,16+,17+,18-,19+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)NC(=O)C2=CC(=C(N=C2)OCCCCC(=O)N)C3=CC=C(C=C3)Cl)O
InChI: InChI=1S/C23H28ClN3O4/c24-17-10-8-15(9-11-17)18-13-16(22(30)27-19-5-1-2-6-20(19)28)14-26-23(18)31-12-4-3-7-21(25)29/h8-11,13-14,19-20,28H,1-7,12H2,(H2,25,29)(H,27,30)/t19-,20-/m1/s1
SMILES: C#CC[C@]1([C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)CO)O
InChI: InChI=1S/C12H14N2O6/c1-2-4-12(19)7(6-15)20-10(9(12)17)14-5-3-8(16)13-11(14)18/h1,3,5,7,9-10,15,17,19H,4,6H2,(H,13,16,18)/t7-,9+,10-,12-/m1/s1
SMILES: CCCC(=C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C
InChI: InChI=1S/C23H34O/c1-4-5-15(2)21-10-11-22-20-8-6-16-14-17(24)7-9-18(16)19(20)12-13-23(21,22)3/h14,18-22H,2,4-13H2,1,3H3/t18-,19+,20+,21+,22-,23+/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)CNS(=O)(=O)C3=CC=CC=C3C#N
InChI: InChI=1S/C18H23N3O3S/c19-11-15-6-3-4-8-17(15)25(23,24)20-12-18(22)21-10-9-14-5-1-2-7-16(14)13-21/h3-4,6,8,14,16,20H,1-2,5,7,9-10,12-13H2/t14-,16+/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OCOC)OC(=O)/C=C/C4=CC=CC=C4)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H48O10/c1-21-28(47-30(41)16-15-26-13-11-10-12-14-26)17-18-37(8)32(21)33(43-20-42-9)27-19-29(44-23(3)38)22(2)31(36(27,6)7)34(45-24(4)39)35(37)46-25(5)40/h10-16,27-29,32-35H,1,17-20H2,2-9H3/b16-15+/t27-,28-,29-,32-,33+,34+,35-,37+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@@H]5[C@H]([C@H]4C6=C(C=CC(=C6)OC)O)C(=O)N(C5=O)C7=CC=C(C=C7)C(=O)C
InChI: InChI=1S/C37H32N2O8/c1-18(40)20-4-8-22(9-5-20)38-34(43)26-14-13-25-27(32(26)36(38)45)17-29-33(31(25)28-16-24(47-3)12-15-30(28)42)37(46)39(35(29)44)23-10-6-21(7-11-23)19(2)41/h4-13,15-16,26-27,29,31-33,42H,14,17H2,1-3H3/t26-,27+,29+,31+,32-,33+/m0/s1
SMILES: CC(C)CN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C26H29ClN2O/c1-19(2)16-29(26(30)25-15-24(25)21-9-4-3-5-10-21)18-23-12-7-13-28(23)17-20-8-6-11-22(27)14-20/h3-14,19,24-25H,15-18H2,1-2H3/t24-,25+/m0/s1
SMILES: C1C[C@H]2[C@@H](C1)[C@@H]3[C@H]4[C@H](C[C@@H]5[C@H]4[C@H]2NC5=O)C(=N3)C#N
InChI: InChI=1S/C15H17N3O/c16-5-10-8-4-9-12-11(8)13(17-10)6-2-1-3-7(6)14(12)18-15(9)19/h6-9,11-14H,1-4H2,(H,18,19)/t6-,7+,8-,9-,11+,12-,13-,14+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@H]2N(CCS2)C(=O)[C@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C21H23NO3S/c1-24-15-8-9-19(25-2)18(12-15)21-22(10-11-26-21)20(23)17-13-16(17)14-6-4-3-5-7-14/h3-9,12,16-17,21H,10-11,13H2,1-2H3/t16-,17-,21-/m0/s1
SMILES: CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-]
InChI: InChI=1S/C22H24N2O4/c1-14-7-6-8-15(13-14)23-21(26)18-11-4-5-12-19(18)24-20(25)16-9-2-3-10-17(16)22(27)28/h4-8,11-13,16-17H,2-3,9-10H2,1H3,(H,23,26)(H,24,25)(H,27,28)/p-1/t16-,17-/m1/s1
SMILES: CC(C)OC(=O)[C@H]1[C@@H](OC(O1)CC2=CC=CC=C2Br)C(=O)OC(C)C
InChI: InChI=1S/C18H23BrO6/c1-10(2)22-17(20)15-16(18(21)23-11(3)4)25-14(24-15)9-12-7-5-6-8-13(12)19/h5-8,10-11,14-16H,9H2,1-4H3/t15-,16-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)O
InChI: InChI=1S/C18H25NO4/c1-11-5-4-6-16(12(11)2)19-17(21)13(3)23-18(22)14-7-9-15(20)10-8-14/h7-13,16,20H,4-6H2,1-3H3,(H,19,21)/t11-,12-,13-,16+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C(=N2)NCCCCCN)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C15H25N7O4/c16-4-2-1-3-5-18-15-21-9-12(17)19-7-20-13(9)22(15)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6,16H2,(H,18,21)(H2,17,19,20)/t8-,10+,11-,14-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCNC(=O)N)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCCCCCC8
InChI: InChI=1S/C50H53N5O10/c1-62-30-31-64-49(61)54-38-24-23-33(16-15-25-52-48(51)60)32-37(38)50(47(54)59)40(45(57)53-26-13-3-2-4-14-27-53)42-46(58)65-43(35-19-9-6-10-20-35)41(34-17-7-5-8-18-34)55(42)44(50)36-21-11-12-22-39(36)63-29-28-56/h5-12,17-24,32,40-44,56H,2-4,13-14,25-31H2,1H3,(H3,51,52,60)/t40-,41-,42-,43+,44+,50-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3
InChI: InChI=1S/C20H28N2O4S/c1-14-5-2-3-6-16(14)21-18(23)13-26-20(25)15-8-10-22(11-9-15)19(24)17-7-4-12-27-17/h4,7,12,14-16H,2-3,5-6,8-11,13H2,1H3,(H,21,23)/t14-,16-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H]([C@@H](O1)N2C=NC(=C2CC#N)C(=O)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H42N4O4Si2/c1-22(2,3)32(7,8)29-14-16-13-18(31-33(9,10)23(4,5)6)21(30-16)27-15-26-19(20(25)28)17(27)11-12-24/h15-16,18,21H,11,13-14H2,1-10H3,(H2,25,28)/t16-,18+,21+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H]3C=CC[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=CC=C5)OCC6=CC=CC=C6)C
InChI: InChI=1S/C28H29NO6/c1-28(2)34-24-23(32-16-17-10-5-3-6-11-17)22(33-27(24)35-28)19-14-9-15-20-21(19)26(31)29(25(20)30)18-12-7-4-8-13-18/h3-14,19-24,27H,15-16H2,1-2H3/t19-,20+,21-,22-,23+,24-,27-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@]1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl
InChI: InChI=1S/C16H20ClN3O/c1-12-2-5-14(8-13-3-6-15(17)7-4-13)16(12,21)9-20-11-18-10-19-20/h3-4,6-7,10-12,14,21H,2,5,8-9H2,1H3/t12-,14-,16+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C3=C(C(=O)N(C=N3)[C@H]4CO[C@H]([C@H]4O)CO)N=C2Br)COP(=O)(NC5=CC=CC=C5)NC6=CC=CC=C6
InChI: InChI=1S/C31H34BrN6O11P/c1-17(40)47-26-23(15-46-50(44,35-19-9-5-3-6-10-19)36-20-11-7-4-8-12-20)49-30(27(26)48-18(2)41)38-28-24(34-31(38)32)29(43)37(16-33-28)21-14-45-22(13-39)25(21)42/h3-12,16,21-23,25-27,30,39,42H,13-15H2,1-2H3,(H2,35,36,44)/t21-,22-,23+,25-,26+,27+,30+/m0/s1
SMILES: CN(C)C(=O)C[C@@H]1C=CC[C@@H]2[C@]1(C[C@H](N2C(=O)OCC3=CC=CC=C3)C(=O)OC)O[Si](C)(C)C
InChI: InChI=1S/C25H36N2O6Si/c1-26(2)22(28)15-19-13-10-14-21-25(19,33-34(4,5)6)16-20(23(29)31-3)27(21)24(30)32-17-18-11-8-7-9-12-18/h7-13,19-21H,14-17H2,1-6H3/t19-,20-,21+,25+/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)NC)NCC4=CC(=CC=C4)I)C(=O)NC)O)O
InChI: InChI=1S/C20H24IN7O4/c1-20(31)14(29)13(17(30)22-2)32-18(20)28-9-25-12-15(26-19(23-3)27-16(12)28)24-8-10-5-4-6-11(21)7-10/h4-7,9,13-14,18,29,31H,8H2,1-3H3,(H,22,30)(H2,23,24,26,27)/t13-,14+,18+,20+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(OCC=C)OC(C6=CC(=CC(=C6)OC)OC)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C50H51N2O12P/c1-7-26-61-65(64-47(46(53)34-14-10-8-11-15-34)35-27-41(58-5)29-42(28-35)59-6)63-43-30-45(52-31-33(2)48(54)51-49(52)55)62-44(43)32-60-50(36-16-12-9-13-17-36,37-18-22-39(56-3)23-19-37)38-20-24-40(57-4)25-21-38/h7-25,27-29,31,43-45,47H,1,26,30,32H2,2-6H3,(H,51,54,55)/t43-,44+,45+,47?,65?/m0/s1