EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C/C=C(/C)\C(=O)O[C@@H]1CCC2=CCC(=O)C(=C(C)C)[C@@]2([C@H]1C)C
InChI: InChI=1S/C20H28O3/c1-7-13(4)19(22)23-17-11-9-15-8-10-16(21)18(12(2)3)20(15,6)14(17)5/h7-8,14,17H,9-11H2,1-6H3/b13-7-/t14-,17+,20+/m0/s1
SMILES: CC1=C(N=C(S1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)C3=CC=CC=C3
InChI: InChI=1S/C18H18N2O3S/c1-11-15(12-7-3-2-4-8-12)19-18(24-11)20-16(21)13-9-5-6-10-14(13)17(22)23/h2-8,13-14H,9-10H2,1H3,(H,22,23)(H,19,20,21)/t13-,14+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=C4CCCCC4)[C@@H]2O)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C25H37NO2/c1-24-14-12-22(27)26(3)21(24)10-9-17-19(24)11-13-25(2)20(17)15-18(23(25)28)16-7-5-4-6-8-16/h12,14,17,19-21,23,28H,4-11,13,15H2,1-3H3/t17-,19+,20+,21-,23+,24-,25+/m1/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)COC3=CC=CC=C3OC
InChI: InChI=1S/C18H20N2O4/c1-12-9-14(12)15-8-7-13(24-15)10-19-20-18(21)11-23-17-6-4-3-5-16(17)22-2/h3-8,10,12,14H,9,11H2,1-2H3,(H,20,21)/b19-10-/t12-,14-/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2COC([C@@H]([C@H]2OCC3=CC=C(C=C3)OC)OC(=O)C4=CC=C(C=C4)OC)OC(=N)C(Cl)(Cl)Cl
InChI: InChI=1S/C31H32Cl3NO9/c1-37-22-10-4-19(5-11-22)16-40-25-18-42-29(44-30(35)31(32,33)34)27(43-28(36)21-8-14-24(39-3)15-9-21)26(25)41-17-20-6-12-23(38-2)13-7-20/h4-15,25-27,29,35H,16-18H2,1-3H3/t25-,26+,27-,29?/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@]4(CCC5=CC=CC=C5)O)C)C
InChI: InChI=1S/C29H42O3/c1-20(30)32-23-12-15-27(2)22(19-23)9-10-24-25(27)13-16-28(3)26(24)14-18-29(28,31)17-11-21-7-5-4-6-8-21/h4-8,22-26,31H,9-19H2,1-3H3/t22-,23+,24-,25+,26-,27+,28-,29-/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@]4(CC#N)O)C)O
InChI: InChI=1S/C21H31NO2/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h3,15-18,23-24H,4-11,13H2,1-2H3/t15-,16+,17-,18+,19-,20+,21-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@]13CCN([C@H]3[C@@H](CC2)O)S(=O)(=O)CC[Si](C)(C)C
InChI: InChI=1S/C18H33NO5SSi/c1-13(20)24-16-8-6-14-5-7-15(21)17-18(14,16)9-10-19(17)25(22,23)11-12-26(2,3)4/h14-17,21H,5-12H2,1-4H3/t14-,15-,16+,17+,18-/m1/s1
SMILES: CC[C@@]1([C@@H]2C[C@H]3C4=C(C[C@@H]([C@@H]2CO[C@@H]1OC)N3CC5=CC=CC=C5)C6=CC=CC=C6N4C)[Se]C7=CC=CC=C7
InChI: InChI=1S/C34H38N2O2Se/c1-4-34(39-24-15-9-6-10-16-24)28-20-31-32-26(25-17-11-12-18-29(25)35(32)2)19-30(27(28)22-38-33(34)37-3)36(31)21-23-13-7-5-8-14-23/h5-18,27-28,30-31,33H,4,19-22H2,1-3H3/t27-,28-,30+,31+,33+,34+/m1/s1
SMILES: C1CCN(CC1)C(=O)CN2C(=O)[C@H]3CC/C(=N\O)/C[C@H]3C2=O
InChI: InChI=1S/C15H21N3O4/c19-13(17-6-2-1-3-7-17)9-18-14(20)11-5-4-10(16-22)8-12(11)15(18)21/h11-12,22H,1-9H2/b16-10+/t11-,12+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C2=C(C(=CC(=C2)Br)Br)OC1=O)CC(=O)OC
InChI: InChI=1S/C15H14Br2O6/c1-3-22-14(19)12-8(6-11(18)21-2)9-4-7(16)5-10(17)13(9)23-15(12)20/h4-5,8,12H,3,6H2,1-2H3/t8-,12-/m0/s1
SMILES: CC(=O)NC1=NC(=C(C2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)F)N
InChI: InChI=1S/C31H58FN5O5Si3/c1-19(38)35-27-22-23(21(32)26(33)36-27)37(18-34-22)28-25(42-45(15,16)31(8,9)10)24(41-44(13,14)30(5,6)7)20(40-28)17-39-43(11,12)29(2,3)4/h18,20,24-25,28H,17H2,1-16H3,(H3,33,35,36,38)/t20-,24-,25-,28-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C
InChI: InChI=1S/C33H27Cl2F3N6O6/c1-3-50-24-6-4-5-20(26(24)45)25-19-11-12-42-30(48)41(2)31(49)44(42)23(19)14-21-28(46)43(29(47)32(21,25)16-7-9-18(34)10-8-16)40-27-22(35)13-17(15-39-27)33(36,37)38/h4-11,13,15,21,23,25,45H,3,12,14H2,1-2H3,(H,39,40)/t21-,23+,25+,32+/m0/s1
SMILES: COC1=CC=C(C=C1)CN2[C@H]([C@H]([C@@H](C2=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C33H33NO4/c1-36-29-19-17-26(18-20-29)22-34-30(21-25-11-5-2-6-12-25)31(37-23-27-13-7-3-8-14-27)32(33(34)35)38-24-28-15-9-4-10-16-28/h2-20,30-32H,21-24H2,1H3/t30-,31+,32-/m0/s1
SMILES: COCC1=C(C=CC(=C1)[C@H]2[C@H]3CCCC=C3[C@@H](C(=N)C2(C#N)C#N)C#N)OC
InChI: InChI=1S/C22H22N4O2/c1-27-11-15-9-14(7-8-19(15)28-2)20-17-6-4-3-5-16(17)18(10-23)21(26)22(20,12-24)13-25/h5,7-9,17-18,20,26H,3-4,6,11H2,1-2H3/t17-,18-,20-/m0/s1
SMILES: C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)O)OC(=O)CN4CCOCC4)(C)C)O)C)O)C=C.Cl
InChI: InChI=1S/C26H41NO8.ClH/c1-7-23(4)14-17(29)26(32)24(5)16(28)8-9-22(2,3)20(24)19(21(31)25(26,6)35-23)34-18(30)15-27-10-12-33-13-11-27;/h7,16,19-21,28,31-32H,1,8-15H2,2-6H3;1H/t16-,19-,20-,21-,23-,24-,25+,26-;/m0./s1
SMILES: C/C=C/C1=CN(C2=NC=NC(=C12)/N=C(\C)/N(C)C)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C18H25N5O3/c1-5-6-12-8-23(15-7-13(25)14(9-24)26-15)18-16(12)17(19-10-20-18)21-11(2)22(3)4/h5-6,8,10,13-15,24-25H,7,9H2,1-4H3/b6-5+,21-11+/t13-,14+,15+/m0/s1
SMILES: CC(=O)[C@]1(CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2C=C(C4=C[C@@H](CC[C@]34C)O)Cl)C)OC(=O)C
InChI: InChI=1S/C23H31ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,15-18,27H,5-10H2,1-4H3/t15-,16+,17+,18-,21-,22+,23+/m1/s1
SMILES: COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CC[C@]4(CCCC[C@@H]4C3)O
InChI: InChI=1S/C21H25NO5/c1-26-16-5-6-17-14(11-20(24)27-18(17)12-16)10-19(23)22-9-8-21(25)7-3-2-4-15(21)13-22/h5-6,11-12,15,25H,2-4,7-10,13H2,1H3/t15-,21+/m1/s1
SMILES: C[C@@H](C#CC#CC(C)(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C29H40O2/c1-20(10-7-8-16-28(3,4)5)25-14-15-26-22(11-9-17-29(25,26)6)12-13-23-18-24(30)19-27(31)21(23)2/h12-13,20,24-27,30-31H,2,9,11,14-15,17-19H2,1,3-6H3/b22-12+,23-13-/t20-,24+,25+,26-,27-,29+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](OC2O)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C18H32O15/c1-4-7(21)10(24)12(26)17(29-4)33-15-14(9(23)6(3-20)30-16(15)28)32-18-13(27)11(25)8(22)5(2-19)31-18/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9-,10+,11-,12-,13+,14-,15+,16?,17-,18+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H](N(O1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N4C(=CC(=N4)C)C
InChI: InChI=1S/C22H23N3O2/c1-15-14-16(2)24(23-15)22(26)20-17(3)27-25(19-12-8-5-9-13-19)21(20)18-10-6-4-7-11-18/h4-14,17,20-21H,1-3H3/t17-,20-,21+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCCCCCCCBr)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C42H43BrO10/c43-27-17-3-1-2-4-18-28-48-42-37(53-41(47)33-25-15-8-16-26-33)36(52-40(46)32-23-13-7-14-24-32)35(51-39(45)31-21-11-6-12-22-31)34(50-42)29-49-38(44)30-19-9-5-10-20-30/h5-16,19-26,34-37,42H,1-4,17-18,27-29H2/t34-,35-,36+,37-,42-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@]1(CC(=C[C@H]2[C@@H]1OC3(O2)CCCCC3)C(=O)OC)C#C/C=C\C#C[Si](C)(C)C
InChI: InChI=1S/C29H44O5Si2/c1-27(2,3)36(8,9)34-28(17-13-10-11-16-20-35(5,6)7)22-23(26(30)31-4)21-24-25(28)33-29(32-24)18-14-12-15-19-29/h10-11,21,24-25H,12,14-15,18-19,22H2,1-9H3/b11-10-/t24-,25-,28+/m0/s1
SMILES: C[C@]12CCC[C@H]1[C@@H]([C@@]2(C)O)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C26H36O2Si/c1-24(2,3)29(20-13-8-6-9-14-20,21-15-10-7-11-16-21)28-19-23-22-17-12-18-25(22,4)26(23,5)27/h6-11,13-16,22-23,27H,12,17-19H2,1-5H3/t22-,23-,25-,26+/m0/s1
SMILES: C[C@@H]1CC=C2[C@H]([C@@]1(C)CC(CC3=CC(=O)OC3O)O)CCC[C@@]2(C)CCCC(=C)C
InChI: InChI=1S/C26H40O4/c1-17(2)8-6-12-25(4)13-7-9-22-21(25)11-10-18(3)26(22,5)16-20(27)14-19-15-23(28)30-24(19)29/h11,15,18,20,22,24,27,29H,1,6-10,12-14,16H2,2-5H3/t18-,20?,22-,24?,25-,26+/m1/s1
SMILES: CC1[C@@H]2C(C[C@@]([C@]34[C@H](O3)[C@H]5[C@@](C4C2OC1=O)(O5)C)(C)O)OC(=O)C
InChI: InChI=1S/C17H22O7/c1-6-9-8(21-7(2)18)5-15(3,20)17-11(10(9)22-14(6)19)16(4)12(23-16)13(17)24-17/h6,8-13,20H,5H2,1-4H3/t6?,8?,9-,10?,11?,12+,13-,15-,16-,17+/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@]([C@H]1CC[C@H]([C@H]2CC(=O)NCC4=CC=C(C=C4)OC)O)(CO[C@H](O3)CNC(=O)C5CCCC5)C
InChI: InChI=1S/C31H46N2O6/c1-30-15-14-26-31(2,19-38-28(39-26)18-33-29(36)21-6-4-5-7-21)25(30)13-12-24(34)23(30)16-27(35)32-17-20-8-10-22(37-3)11-9-20/h8-11,21,23-26,28,34H,4-7,12-19H2,1-3H3,(H,32,35)(H,33,36)/t23-,24-,25+,26-,28-,30+,31+/m1/s1
SMILES: CC(C)C[C@]1([C@H](C(C(=O)C(C1=O)(C)C)(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O
InChI: InChI=1S/C27H38O13/c1-11(2)9-27(37)23(36)25(3,4)22(35)26(5,6)24(27)40-21-19(33)18(32)17(31)15(39-21)10-38-20(34)12-7-13(28)16(30)14(29)8-12/h7-8,11,15,17-19,21,24,28-33,37H,9-10H2,1-6H3/t15-,17-,18+,19-,21+,24+,27+/m1/s1
SMILES: CC1CC2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3(C(C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C
InChI: InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12?,15-,16?,17?,19-,20-,21?,22-/m0/s1
SMILES: CC(C)[C@H](C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)NC(CC(F)F)C(=O)C(=O)NC3CC3)C(C)(C)C)NC(=O)C4=NC=CN=C4
InChI: InChI=1S/C32H45F2N7O6/c1-16(2)23(39-27(43)21-14-35-11-12-36-21)28(44)40-26(32(3,4)5)31(47)41-15-17-7-6-8-19(17)24(41)29(45)38-20(13-22(33)34)25(42)30(46)37-18-9-10-18/h11-12,14,16-20,22-24,26H,6-10,13,15H2,1-5H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t17-,19-,20?,23+,24-,26+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3N=CN(C4=O)CCCCCOP(=O)(O)O)COP(=O)(O)O)C
InChI: InChI=1S/C18H28N4O12P2/c1-18(2)33-13-11(8-31-36(27,28)29)32-17(14(13)34-18)22-10-19-12-15(22)20-9-21(16(12)23)6-4-3-5-7-30-35(24,25)26/h9-11,13-14,17H,3-8H2,1-2H3,(H2,24,25,26)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(C)[C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC(=C(C=C5)OC)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C50H72N2O9/c1-6-9-10-11-12-13-14-15-16-23-47(56)52(4)46-34-43(51-59-8-3)41-32-36(21-17-19-28-53)40(22-18-20-29-54)48-42-33-39(60-38-24-26-44(57-5)37(31-38)35-55)25-27-45(42)61-50(46,49(41)48)58-30-7-2/h7,24-27,31-33,35-36,40,46,48-49,53-54H,2,6,8-23,28-30,34H2,1,3-5H3/t36-,40+,46-,48+,49+,50+/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CC6=C(O5)N=CC=C6
InChI: InChI=1S/C38H47N5O5/c1-38(2,3)41-36(47)32-24-42(23-30-20-27-13-9-15-39-37(27)48-30)16-17-43(32)22-29(44)19-28(18-25-10-5-4-6-11-25)35(46)40-34-31-14-8-7-12-26(31)21-33(34)45/h4-15,20,28-29,32-34,44-45H,16-19,21-24H2,1-3H3,(H,40,46)(H,41,47)/t28-,29+,32+,33-,34+/m1/s1
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C23H23N5O4/c29-11-17-19(30)20(31)23(32-17)28-13-27-18-21(25-12-26-22(18)28)24-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,12-13,17,19-20,23,29-31H,10-11H2,(H,24,25,26)/t17-,19-,20-,23-/m1/s1
SMILES: C[C@]12CCCC([C@@H]1C(=O)C=C([C@@H]2/C=C/C3=COC=C3)CO)(C)C
InChI: InChI=1S/C20H26O3/c1-19(2)8-4-9-20(3)16(6-5-14-7-10-23-13-14)15(12-21)11-17(22)18(19)20/h5-7,10-11,13,16,18,21H,4,8-9,12H2,1-3H3/b6-5+/t16-,18-,20+/m0/s1
SMILES: CC1(O[C@@H]([C@@H]([C@@H](O1)[C@H](C(=O)N[C@H]2CC[C@H](CNC2=O)OC(=O)C3CCCCCC3)OC)O)/C=C/C(C)(C)C)C
InChI: InChI=1S/C29H48N2O8/c1-28(2,3)16-15-21-22(32)23(39-29(4,5)38-21)24(36-6)26(34)31-20-14-13-19(17-30-25(20)33)37-27(35)18-11-9-7-8-10-12-18/h15-16,18-24,32H,7-14,17H2,1-6H3,(H,30,33)(H,31,34)/b16-15+/t19-,20+,21-,22+,23-,24-/m1/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@@H]3CN4CCN(CC4)CC5=CC=CC=C5
InChI: InChI=1S/C26H36N2O2/c1-19-7-6-10-26(2)16-24-21(15-23(19)26)22(25(29)30-24)18-28-13-11-27(12-14-28)17-20-8-4-3-5-9-20/h3-5,8-9,21-22,24H,6-7,10-18H2,1-2H3/t21-,22-,24-,26-/m1/s1
SMILES: CCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)O
InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4+/t16-,17-,18+,19-/m1/s1
SMILES: CN1C(=NN=C1SCC(=O)N2CCC[C@@H]3[C@@H]2CCCC3)C4=CC=CC=C4OC
InChI: InChI=1S/C21H28N4O2S/c1-24-20(16-10-4-6-12-18(16)27-2)22-23-21(24)28-14-19(26)25-13-7-9-15-8-3-5-11-17(15)25/h4,6,10,12,15,17H,3,5,7-9,11,13-14H2,1-2H3/t15-,17+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C(=O)NCCCCCCCCCCC(=O)OC)C(=C)CN)C
InChI: InChI=1S/C44H74N2O5/c1-30(29-45)32-20-25-44(39(49)46-28-16-14-12-10-9-11-13-15-17-37(48)50-8)27-26-42(6)33(38(32)44)18-19-35-41(5)23-22-36(51-31(2)47)40(3,4)34(41)21-24-43(35,42)7/h32-36,38H,1,9-29,45H2,2-8H3,(H,46,49)/t32-,33+,34-,35+,36-,38+,41-,42+,43+,44-/m0/s1
SMILES: C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H23N3O5S/c25-20-11-12-27(24(30)26-20)21-13-18(14-31-22(28)16-7-3-1-4-8-16)19(33-21)15-32-23(29)17-9-5-2-6-10-17/h1-12,18-19,21H,13-15H2,(H2,25,26,30)/t18-,19-,21-/m1/s1
SMILES: CCCCNP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O[C@H]4C[C@@H](O[C@@H]4COP(=S)(O)O[C@H]5C[C@@H](O[C@@H]5CO)N6C=CC(=NC6=O)N)N7C=C(C(=O)NC7=O)C
InChI: InChI=1S/C33H47N11O14P2S/c1-3-4-6-39-59(50,52-13-22-18(46)8-25(55-22)44-16-38-28-29(35)36-15-37-30(28)44)57-20-10-27(43-11-17(2)31(47)41-33(43)49)56-23(20)14-53-60(51,61)58-19-9-26(54-21(19)12-45)42-7-5-24(34)40-32(42)48/h5,7,11,15-16,18-23,25-27,45-46H,3-4,6,8-10,12-14H2,1-2H3,(H,39,50)(H,51,61)(H2,34,40,48)(H2,35,36,37)(H,41,47,49)/t18-,19-,20-,21+,22+,23+,25+,26+,27+,59?,60?/m0/s1
SMILES: C[C@H]1[C@@H]([C@@H]([C@@H](C=C1C)C=C(C)C)C(=O)O)C(=O)OCCN(C)C
InChI: InChI=1S/C18H29NO4/c1-11(2)9-14-10-12(3)13(4)15(16(14)17(20)21)18(22)23-8-7-19(5)6/h9-10,13-16H,7-8H2,1-6H3,(H,20,21)/t13-,14-,15+,16-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H](N3[C@H](C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C28H21N3O/c1-19-11-13-21(14-12-19)25-26(27(32)22-8-3-2-4-9-22)31-23-10-6-5-7-20(23)15-16-24(31)28(25,17-29)18-30/h2-16,24-26H,1H3/t24-,25+,26-/m0/s1
SMILES: C1C[C@H]2C[C@H]1[C@H]3[C@H]2SC4=C([C@H]3C5=CC=C(C=C5)O)SC(=O)N4
InChI: InChI=1S/C17H17NO2S2/c19-11-5-3-8(4-6-11)12-13-9-1-2-10(7-9)14(13)21-16-15(12)22-17(20)18-16/h3-6,9-10,12-14,19H,1-2,7H2,(H,18,20)/t9-,10-,12-,13+,14-/m0/s1
SMILES: COC1=C(C=CC(=C1)C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C14H16O9/c1-21-8-4-6(5-15)2-3-7(8)22-14-11(18)9(16)10(17)12(23-14)13(19)20/h2-5,9-12,14,16-18H,1H3,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1
SMILES: CC1=CC(=C(C=C1)NC(=S)N/N=C\2/C[C@H]3[C@@H]2CC=C3)C
InChI: InChI=1S/C16H19N3S/c1-10-6-7-14(11(2)8-10)17-16(20)19-18-15-9-12-4-3-5-13(12)15/h3-4,6-8,12-13H,5,9H2,1-2H3,(H2,17,19,20)/b18-15-/t12-,13-/m0/s1
SMILES: C1CC=C2[C@@H](C1)[C@@H]([C@@](C(=C2C#N)N)(C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N
InChI: InChI=1S/C19H15N5O2/c20-9-16-14-3-1-2-4-15(14)17(10-21)19(11-22,18(16)23)12-5-7-13(8-6-12)24(25)26/h3,5-8,15,17H,1-2,4,23H2/t15-,17+,19-/m1/s1
SMILES: C1[C@@H]2C[C@@H]([C@H]1C=C2)C[NH2+]C(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H23N/c1-3-7-17(8-4-1)21(18-9-5-2-6-10-18)22-15-20-14-16-11-12-19(20)13-16/h1-12,16,19-22H,13-15H2/p+1/t16-,19+,20-/m1/s1
SMILES: C[C@@H]1C[C@]2([C@@H](C[C@H]1C(=O)OC)C3OCCO3)C(=CC(=O)O2)OC
InChI: InChI=1S/C16H22O7/c1-9-8-16(12(19-2)7-13(17)23-16)11(15-21-4-5-22-15)6-10(9)14(18)20-3/h7,9-11,15H,4-6,8H2,1-3H3/t9-,10-,11+,16+/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@H]3CCCO3)C(=O)NC(C)C)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC(=CC=C5)C(F)(F)F)C
InChI: InChI=1S/C39H51F3N2O5/c1-25(2)43-36(47)44(23-31-11-7-19-49-31)24-38(48)18-16-34-32-15-13-27(20-30(45)14-12-26(3)8-6-17-37(34,38)4)21-33(32)35(46)28-9-5-10-29(22-28)39(40,41)42/h5,8-10,13,15,21-22,25,30-31,34,45,48H,6-7,11-12,14,16-20,23-24H2,1-4H3,(H,43,47)/t30-,31+,34-,37-,38+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)N)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C34H32N2O4S/c1-22-29(21-41-34-36-30(24-9-4-2-5-10-24)32(40-34)25-11-6-3-7-12-25)38-33(27-13-8-14-28(35)19-27)39-31(22)26-17-15-23(20-37)16-18-26/h2-19,22,29,31,33,37H,20-21,35H2,1H3/t22-,29+,31+,33+/m0/s1
SMILES: C1CN(CCN1CCCOC2=CC=C(C=C2)C(=O)[C@@H]3C[C@@H]3C4=CC=CC=C4)C(=O)CCN
InChI: InChI=1S/C26H33N3O3/c27-12-11-25(30)29-16-14-28(15-17-29)13-4-18-32-22-9-7-21(8-10-22)26(31)24-19-23(24)20-5-2-1-3-6-20/h1-3,5-10,23-24H,4,11-19,27H2/t23-,24-/m1/s1
SMILES: CCC[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=C(C=C3)N(C)C)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C20H27N3O4/c1-6-11-20(19(26)27-5)15-14(17(24)23(4)18(15)25)16(21-20)12-7-9-13(10-8-12)22(2)3/h7-10,14-16,21H,6,11H2,1-5H3/t14-,15+,16-,20-/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)COC(=O)C(C)(C)C)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI: InChI=1S/C16H23N5O6/c1-9-6-20(12-5-10(18-19-17)11(7-22)27-12)15(25)21(13(9)23)8-26-14(24)16(2,3)4/h6,10-12,22H,5,7-8H2,1-4H3/t10-,11+,12+/m0/s1
SMILES: C1[C@H]([C@H](OCO1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CS3
InChI: InChI=1S/C15H13NO6S/c17-15(13-2-1-7-23-13)22-12-8-20-9-21-14(12)10-3-5-11(6-4-10)16(18)19/h1-7,12,14H,8-9H2/t12-,14-/m1/s1
SMILES: CN(C)[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@H]3[C@H](OC4=CC=C(C=C4)/C=C\NC(=O)[C@@H](NC3=O)CC5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C42H45N5O5/c1-46(2)36(28-31-15-8-4-9-16-31)42(51)47-26-12-19-35(47)40(49)45-37-38(32-17-10-5-11-18-32)52-33-22-20-29(21-23-33)24-25-43-39(48)34(44-41(37)50)27-30-13-6-3-7-14-30/h3-11,13-18,20-25,34-38H,12,19,26-28H2,1-2H3,(H,43,48)(H,44,50)(H,45,49)/b25-24-/t34-,35-,36-,37-,38+/m0/s1
SMILES: C[C@@H]1C[C@H](OC2(O1)C[C@@H]3CCCCCCC[C@@H](C3)[C@H]2O)C
InChI: InChI=1S/C18H32O3/c1-13-10-14(2)21-18(20-13)12-15-8-6-4-3-5-7-9-16(11-15)17(18)19/h13-17,19H,3-12H2,1-2H3/t13-,14-,15-,16+,17-/m1/s1
SMILES: CC1=C(C(=CC=C1)C)N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C25H22N2O3/c1-16-10-9-11-17(2)21(16)26-24(28)20-22(18-12-5-3-6-13-18)27(30-23(20)25(26)29)19-14-7-4-8-15-19/h3-15,20,22-23H,1-2H3/t20-,22+,23+/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=CC4=C(C(=C3)Cl)OCCO4
InChI: InChI=1S/C18H21ClN2O4/c1-11-4-2-3-5-18(11)16(22)21(17(23)20-18)10-12-8-13(19)15-14(9-12)24-6-7-25-15/h8-9,11H,2-7,10H2,1H3,(H,20,23)/t11-,18+/m0/s1
SMILES: C[C@@H]1C[C@H]1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC
InChI: InChI=1S/C19H26N2O6S/c1-13-10-15(13)19(23)27-12-18(22)20-16-11-14(6-7-17(16)26-2)28(24,25)21-8-4-3-5-9-21/h6-7,11,13,15H,3-5,8-10,12H2,1-2H3,(H,20,22)/t13-,15-/m1/s1
SMILES: CC(=O)O[C@H]1C=C(C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C)I
InChI: InChI=1S/C13H21IO4Si/c1-8(15)17-10-7-9(14)11(16)12(10)18-19(5,6)13(2,3)4/h7,10,12H,1-6H3/t10-,12+/m0/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=CC=C(C6=CC=CC=C56)O)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C30H26BrNO5/c1-30(2,3)32-28(36)18-9-8-17-19(25(18)29(32)37)12-20-26(23(34)13-21(31)27(20)35)24(17)16-10-11-22(33)15-7-5-4-6-14(15)16/h4-8,10-11,13,18-19,24-25,33H,9,12H2,1-3H3/t18-,19+,24-,25-/m0/s1
SMILES: C[C@@H]1[C@H]2C3=C(C=CC(=C3)[N+](=O)[O-])O[C@@]1(N(C(=S)N2)C4=CC(=CC=C4)Cl)C
InChI: InChI=1S/C18H16ClN3O3S/c1-10-16-14-9-13(22(23)24)6-7-15(14)25-18(10,2)21(17(26)20-16)12-5-3-4-11(19)8-12/h3-10,16H,1-2H3,(H,20,26)/t10-,16+,18+/m1/s1
SMILES: CCOC(=O)C1=C(C(=O)[C@@H]2[C@H]1[C@H]3[C@H](C[C@@H]2O3)O)C4=CC=CC=C4
InChI: InChI=1S/C18H18O5/c1-2-22-18(21)15-12(9-6-4-3-5-7-9)16(20)13-11-8-10(19)17(23-11)14(13)15/h3-7,10-11,13-14,17,19H,2,8H2,1H3/t10-,11-,13-,14+,17+/m0/s1
SMILES: COC1=CC=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)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)NC9=CC=CC=C9)O
InChI: InChI=1S/C45H36ClFN4O6/c1-57-37-9-5-8-36(52)39(37)40-32-22-23-33-38(43(55)50(41(33)53)31-20-18-29(19-21-31)48-28-6-3-2-4-7-28)34(32)24-35-42(54)51(49-30-16-14-27(47)15-17-30)44(56)45(35,40)25-10-12-26(46)13-11-25/h2-22,33-35,38,40,48-49,52H,23-24H2,1H3/t33-,34+,35-,38-,40+,45+/m0/s1
SMILES: CCN(CC)C(=S)OC[C@@H]1[C@H](C[C@H](O1)CC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C25H31NO4S/c1-3-26(4-2)25(31)29-18-24-23(28-17-19-11-7-5-8-12-19)16-21(30-24)15-22(27)20-13-9-6-10-14-20/h5-14,21,23-24H,3-4,15-18H2,1-2H3/t21-,23+,24-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OC3=NO[N+](=C3S(=O)(=O)C4=CC=CC=C4)[O-]
InChI: InChI=1S/C18H18N4O9S/c1-10-8-21(18(25)19-15(10)24)14-7-12(13(9-23)29-14)30-16-17(22(26)31-20-16)32(27,28)11-5-3-2-4-6-11/h2-6,8,12-14,23H,7,9H2,1H3,(H,19,24,25)/t12-,13+,14+/m0/s1
SMILES: C[C@H](CC[C@H](C(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C45H86O3Si3/c1-32(2)40(47-50(17,18)43(8,9)10)28-23-33(3)38-26-27-39-35(22-21-29-45(38,39)14)24-25-36-30-37(46-49(15,16)42(5,6)7)31-41(34(36)4)48-51(19,20)44(11,12)13/h24-25,32-33,37-41H,4,21-23,26-31H2,1-3,5-20H3/b35-24+,36-25-/t33-,37-,38-,39+,40-,41+,45-/m1/s1
SMILES: C[C@H](/C=C/C(=O)C1CC1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C39H66O3Si2/c1-27(16-23-35(40)30-18-19-30)33-21-22-34-29(15-14-24-39(33,34)9)17-20-31-25-32(41-43(10,11)37(3,4)5)26-36(28(31)2)42-44(12,13)38(6,7)8/h16-17,20,23,27,30,32-34,36H,2,14-15,18-19,21-22,24-26H2,1,3-13H3/b23-16+,29-17+,31-20-/t27-,32-,33-,34+,36+,39-/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@H]1O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(=O)OC2=CC=CC=C2
InChI: InChI=1S/C21H40O3Si4/c1-17-16-19(21(22)23-18-14-12-11-13-15-18)20(17)24-28(25(2,3)4,26(5,6)7)27(8,9)10/h11-15,17,19-20H,16H2,1-10H3/t17-,19+,20+/m1/s1
SMILES: C[C@H]1CCC[C@H]1OC(=O)C2=C(NC(=O)N[C@@H]2C3=CC=C(C=C3)Cl)C
InChI: InChI=1S/C18H21ClN2O3/c1-10-4-3-5-14(10)24-17(22)15-11(2)20-18(23)21-16(15)12-6-8-13(19)9-7-12/h6-10,14,16H,3-5H2,1-2H3,(H2,20,21,23)/t10-,14+,16+/m0/s1
SMILES: C1=CC(=C[N+](=C1)C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3C([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C=O
InChI: InChI=1S/C21H26N6O14P2/c22-18-13-19(24-8-23-18)27(9-25-13)21-17(32)15(30)12(40-21)7-38-43(35,36)41-42(33,34)37-6-11-14(29)16(31)20(39-11)26-3-1-2-10(4-26)5-28/h1-5,8-9,11-12,14-17,20-21,29-32H,6-7H2,(H3-,22,23,24,33,34,35,36)/p+1/t11-,12-,14-,15?,16-,17-,20?,21-/m1/s1
SMILES: C[C@@H]1C=CC[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC(=C4)C
InChI: InChI=1S/C22H21NO3/c1-14-5-3-7-18(13-14)26-17-11-9-16(10-12-17)23-21(24)19-8-4-6-15(2)20(19)22(23)25/h3-7,9-13,15,19-20H,8H2,1-2H3/t15-,19+,20+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]
InChI: InChI=1S/C14H21N3O4S/c1-10-5-3-4-6-12(10)16-13-8-7-11(22(20,21)15-2)9-14(13)17(18)19/h7-10,12,15-16H,3-6H2,1-2H3/t10-,12-/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F
InChI: InChI=1S/C21H30FN3O3S/c22-19-7-3-4-8-20(19)29(27,28)25-13-11-24(12-14-25)21(26)16-23-10-9-17-5-1-2-6-18(17)15-23/h3-4,7-8,17-18H,1-2,5-6,9-16H2/t17-,18+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl
InChI: InChI=1S/C16H19ClN2O3/c17-14-10-12(19(21)22)7-8-13(14)16(20)18-9-3-5-11-4-1-2-6-15(11)18/h7-8,10-11,15H,1-6,9H2/t11-,15+/m0/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC(=O)C4=CC(=O)CC[C@@]34C)C
InChI: InChI=1S/C21H28O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17H,4-9,11H2,1-3H3/t14-,15-,16+,17-,20-,21+/m1/s1
SMILES: C[C@@H]1CC2C(C2(C)CO)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4O)C)O)O)CO
InChI: InChI=1S/C20H28O6/c1-9-6-19-10(2)4-13-14(18(13,3)8-22)12(17(19)25)5-11(7-21)16(24)20(19,26)15(9)23/h5-6,10,12-16,21-24,26H,4,7-8H2,1-3H3/t10-,12+,13?,14?,15+,16-,18?,19+,20-/m1/s1
SMILES: CN1C=CC=C1C(=O)N2CC[C@@H]([C@H]2C(=O)N3CCC[C@@H]3C(=O)OC)NC(=O)NCC=C
InChI: InChI=1S/C21H29N5O5/c1-4-10-22-21(30)23-14-9-13-26(18(27)15-7-5-11-24(15)2)17(14)19(28)25-12-6-8-16(25)20(29)31-3/h4-5,7,11,14,16-17H,1,6,8-10,12-13H2,2-3H3,(H2,22,23,30)/t14-,16+,17-/m0/s1
SMILES: CC1=CC=C(C=C1)CC(=O)N(C)C(C2=CC3=CC=CC=C3C=C2)NC(=O)[C@@H]4CCCC[C@@H]4NC(=O)C5=CNC6=CC=CC=C65
InChI: InChI=1S/C37H38N4O3/c1-24-15-17-25(18-16-24)21-34(42)41(2)35(28-20-19-26-9-3-4-10-27(26)22-28)40-36(43)30-12-6-8-14-33(30)39-37(44)31-23-38-32-13-7-5-11-29(31)32/h3-5,7,9-11,13,15-20,22-23,30,33,35,38H,6,8,12,14,21H2,1-2H3,(H,39,44)(H,40,43)/t30-,33+,35?/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)OCC(=O)NC3=CC=CC=C3I
InChI: InChI=1S/C17H20INO3/c18-14-3-1-2-4-15(14)19-16(20)10-22-17(21)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10H2,(H,19,20)/t11-,12+,13+/m0/s1
SMILES: CCOC(=O)CCNC(=O)C1=CC2=C([C@@H]3CC(=CC[C@H]3C(O2)(C)C)C)C(=C1)OC(=O)C
InChI: InChI=1S/C24H31NO6/c1-6-29-21(27)9-10-25-23(28)16-12-19(30-15(3)26)22-17-11-14(2)7-8-18(17)24(4,5)31-20(22)13-16/h7,12-13,17-18H,6,8-11H2,1-5H3,(H,25,28)/t17-,18-/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)[C@H]2[C@H]3[C@@H]4CCCC[C@]4(NC2=O)OC5=CC=CC=C35
InChI: InChI=1S/C23H24N2O3/c1-14-8-2-4-11-17(14)24-21(26)20-19-15-9-3-5-12-18(15)28-23(25-22(20)27)13-7-6-10-16(19)23/h2-5,8-9,11-12,16,19-20H,6-7,10,13H2,1H3,(H,24,26)(H,25,27)/t16-,19+,20+,23-/m0/s1
SMILES: CC1=C2C(=C(C=C1)[N+](=O)[O-])[C@@H]3C=CC[C@@H]3[C@H](N2)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C21H20N2O4/c1-12-6-11-17(23(25)26)18-15-4-3-5-16(15)20(22-19(12)18)13-7-9-14(10-8-13)21(24)27-2/h3-4,6-11,15-16,20,22H,5H2,1-2H3/t15-,16+,20-/m1/s1