EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CN(C=C1)C2=CC=C(C=C2)[C@H]3CN4CCC5=CC(=C(C=C5C4C[C@@H]3N)OC)OC
InChI: InChI=1S/C26H31N3O2/c1-17-8-10-28(15-17)20-6-4-18(5-7-20)22-16-29-11-9-19-12-25(30-2)26(31-3)13-21(19)24(29)14-23(22)27/h4-8,10,12-13,15,22-24H,9,11,14,16,27H2,1-3H3/t22-,23+,24?/m1/s1
SMILES: CC(=O)ON(C1=NC2=C(N1[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)N=CN=C2Cl)C(C)(C)C
InChI: InChI=1S/C34H64ClN5O6Si3/c1-22(41)44-40(31(2,3)4)30-38-24-27(35)36-21-37-28(24)39(30)29-26(46-49(18,19)34(11,12)13)25(45-48(16,17)33(8,9)10)23(43-29)20-42-47(14,15)32(5,6)7/h21,23,25-26,29H,20H2,1-19H3/t23-,25-,26-,29-/m1/s1
SMILES: CC1([C@@H]2C[C@H]1C3=CN=C(C=C3[C@H]2CCCCCC4[C@H]5C[C@H](C5(C)C)C6=CN=C(C=C46)C7=CC=CC=N7)C8=CC=CC=N8)C
InChI: InChI=1S/C39H44N4/c1-38(2)30-20-32(38)28-22-42-36(34-14-8-10-16-40-34)18-26(28)24(30)12-6-5-7-13-25-27-19-37(35-15-9-11-17-41-35)43-23-29(27)33-21-31(25)39(33,3)4/h8-11,14-19,22-25,30-33H,5-7,12-13,20-21H2,1-4H3/t24-,25?,30-,31-,32+,33+/m1/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NCCC2=CNC3=CC=CC=C32)C(=O)[O-]
InChI: InChI=1S/C18H20N2O3/c21-17(14-6-1-2-7-15(14)18(22)23)19-10-9-12-11-20-16-8-4-3-5-13(12)16/h1-5,8,11,14-15,20H,6-7,9-10H2,(H,19,21)(H,22,23)/p-1/t14-,15-/m1/s1
SMILES: COC1=CC(=CC(=C1[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)CC7=CC=CS7)OC)O
InChI: InChI=1S/C33H27Cl2FN2O7S/c1-44-23-12-18(39)13-24(45-2)26(23)27-20-9-10-21-25(29(41)37(28(21)40)15-19-4-3-11-46-19)22(20)14-32(34)30(42)38(31(43)33(27,32)35)17-7-5-16(36)6-8-17/h3-9,11-13,21-22,25,27,39H,10,14-15H2,1-2H3/t21-,22+,25-,27+,32+,33-/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)C/C=C/[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI: InChI=1S/C27H30OSi/c28-27-21-11-10-13-23(27)14-12-22-29(24-15-4-1-5-16-24,25-17-6-2-7-18-25)26-19-8-3-9-20-26/h1-9,12,15-20,22-23,27-28H,10-11,13-14,21H2/b22-12+/t23-,27+/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CCC)C(=O)OCC)OCC=C
InChI: InChI=1S/C53H78N4O11/c1-5-9-10-11-12-13-14-15-16-19-30-54-51(60)67-42-28-29-47-45(36-42)49-43(23-18-21-33-59)40(22-17-20-32-58)35-44-46(55-66-38-39-24-26-41(27-25-39)57(62)63)37-48(56(31-6-2)52(61)64-8-4)53(68-47,50(44)49)65-34-7-3/h7,24-29,35-36,40,43,48-50,58-59H,3,5-6,8-23,30-34,37-38H2,1-2,4H3,(H,54,60)/t40-,43+,48-,49+,50+,53+/m0/s1
SMILES: C[C@]12CC(C3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)O)O[N+](=O)[O-]
InChI: InChI=1S/C18H23NO5/c1-18-9-15(24-19(22)23)17-12-5-3-11(20)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13?,14?,15?,16-,17?,18-/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C20H24N2O3/c1-12-10-13(2)18(14(3)11-12)21-17(23)8-9-22-19(24)15-6-4-5-7-16(15)20(22)25/h4-5,10-11,15-16H,6-9H2,1-3H3,(H,21,23)/t15-,16+
SMILES: CC1=CC(=CC(=C1)N(CC(=O)NC2=NNC(=C2)C)C3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)C
InChI: InChI=1S/C19H23N5O3S2/c1-11-4-12(2)6-14(5-11)24(8-18(25)21-17-7-13(3)22-23-17)19-20-15-9-29(26,27)10-16(15)28-19/h4-7,15-16H,8-10H2,1-3H3,(H2,21,22,23,25)/t15-,16-/m0/s1
SMILES: CN(C[C@]1(C[C@H]1CN2CCC(CC2)C3=NN=C(O3)CC4=CC=CC=C4)C5=CC=C(C=C5)Cl)C(=O)C6=CC=CO6
InChI: InChI=1S/C31H33ClN4O3/c1-35(30(37)27-8-5-17-38-27)21-31(24-9-11-26(32)12-10-24)19-25(31)20-36-15-13-23(14-16-36)29-34-33-28(39-29)18-22-6-3-2-4-7-22/h2-12,17,23,25H,13-16,18-21H2,1H3/t25-,31+/m0/s1
SMILES: C=CCN(CC=C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CCCC[C@H]2C(=O)O
InChI: InChI=1S/C20H26N2O5S/c1-3-13-22(14-4-2)28(26,27)16-11-9-15(10-12-16)21-19(23)17-7-5-6-8-18(17)20(24)25/h3-4,9-12,17-18H,1-2,5-8,13-14H2,(H,21,23)(H,24,25)/t17-,18+/m0/s1
SMILES: C=C[C@H]1CC(C[C@@H]1C/C=C/COC2CCCCO2)(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C28H34O6S2/c1-2-23-21-28(35(29,30)25-14-5-3-6-15-25,36(31,32)26-16-7-4-8-17-26)22-24(23)13-9-11-19-33-27-18-10-12-20-34-27/h2-9,11,14-17,23-24,27H,1,10,12-13,18-22H2/b11-9+/t23-,24-,27?/m0/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)OCC=C)CSC5=CC=CC=[N+]5[O-]
InChI: InChI=1S/C35H36N2O6S/c1-3-19-41-35(39)36-21-26-7-6-8-30(20-26)27-14-16-29(17-15-27)34-42-31(23-44-32-9-4-5-18-37(32)40)24(2)33(43-34)28-12-10-25(22-38)11-13-28/h3-18,20,24,31,33-34,38H,1,19,21-23H2,2H3,(H,36,39)/t24-,31+,33+,34+/m0/s1
SMILES: CCC[C@H]1[C@H](O1)C(=O)[C@]2(C[C@H]3CC[C@@]2(C3(C)C)C)O
InChI: InChI=1S/C16H26O3/c1-5-6-11-12(19-11)13(17)16(18)9-10-7-8-15(16,4)14(10,2)3/h10-12,18H,5-9H2,1-4H3/t10-,11+,12+,15-,16+/m1/s1
SMILES: COC1=CC(=C(C=C1)O)[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)C6CCN(CC6)CC7=CC=CC=C7
InChI: InChI=1S/C34H34BrCl2N3O6/c1-46-21-7-10-26(41)24(15-21)28-22-8-9-23-27(25(22)16-33(36)31(44)39(18-35)32(45)34(28,33)37)30(43)40(29(23)42)20-11-13-38(14-12-20)17-19-5-3-2-4-6-19/h2-8,10,15,20,23,25,27-28,41H,9,11-14,16-18H2,1H3/t23-,25+,27-,28+,33+,34-/m0/s1
SMILES: C1C[C@@H]([C@@H](NC1)C2=CC=CC=C2)NCC3=C(C=CC(=C3)Cl)OCC(F)(F)F
InChI: InChI=1S/C20H22ClF3N2O/c21-16-8-9-18(27-13-20(22,23)24)15(11-16)12-26-17-7-4-10-25-19(17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,17,19,25-26H,4,7,10,12-13H2/t17-,19-/m0/s1
SMILES: CC1=C(N(C(=C1C#N)NC(=O)CN2CC[C@H]3CCCC[C@H]3C2)CC4=CC=CO4)C
InChI: InChI=1S/C23H30N4O2/c1-16-17(2)27(14-20-8-5-11-29-20)23(21(16)12-24)25-22(28)15-26-10-9-18-6-3-4-7-19(18)13-26/h5,8,11,18-19H,3-4,6-7,9-10,13-15H2,1-2H3,(H,25,28)/t18-,19+/m1/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@@]4([C@@H]([C@H]2O1)ON([C@@H]4C(=O)O3)CC5=CC=C(C=C5)I)C(=O)N(C)[C@H](CC6=CC=CC=C6)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C46H64IN3O10/c1-7-9-14-24-45(25-15-10-8-2)58-37-35-27-46(39(42(54)56-35)50(60-40(46)38(37)59-45)28-31-18-20-32(47)21-19-31)43(55)49(6)34(26-30-16-12-11-13-17-30)41(53)48-33(29-51)22-23-36(52)57-44(3,4)5/h11-13,16-21,33-35,37-40,51H,7-10,14-15,22-29H2,1-6H3,(H,48,53)/t33-,34+,35+,37-,38-,39+,40+,46+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)S[C@H]2[C@@H](O[C@H]3[C@@H]2OC(O3)(C)C)[C@H]4COC(O4)(C)C)OC(=O)C
InChI: InChI=1S/C32H47NO17S/c1-14(34)33-22-19(43-16(3)36)11-32(29(39)40-10,49-25(22)23(45-18(5)38)20(44-17(4)37)12-41-15(2)35)51-27-24(21-13-42-30(6,7)47-21)46-28-26(27)48-31(8,9)50-28/h19-28H,11-13H2,1-10H3,(H,33,34)/t19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,32-/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]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=C(C=C6)O)OC)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C43H35NO7/c1-24(45)25-13-15-28(16-14-25)44-41(49)32-20-19-30-34(38(32)42(44)50)22-35-40(48)33(26-9-5-3-6-10-26)23-37(47)43(35,27-11-7-4-8-12-27)39(30)31-18-17-29(46)21-36(31)51-2/h3-19,21,23,32,34-35,38-39,46H,20,22H2,1-2H3/t32-,34+,35-,38-,39+,43-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=CC(=C5)OC(F)(F)F)O)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O
InChI: InChI=1S/C31H22F3NO8/c1-13-9-23(37)26-21(27(13)38)12-19-17(24(26)20-11-16(5-8-22(20)36)43-31(32,33)34)6-7-18-25(19)29(40)35(28(18)39)15-4-2-3-14(10-15)30(41)42/h2-6,8-11,18-19,24-25,36H,7,12H2,1H3,(H,41,42)/t18-,19+,24+,25-/m0/s1
SMILES: CC1=C2C(=O)/C(=C\3/[C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)/OC(=O)C
InChI: InChI=1S/C44H57NO16/c1-21(2)17-27(45-40(53)61-41(7,8)9)34(49)39(52)58-29-19-44(54)37(59-38(51)26-15-13-12-14-16-26)33-31(36(57-24(5)47)35(50)32(22(29)3)42(44,10)11)28(56-23(4)46)18-30-43(33,20-55-30)60-25(6)48/h12-16,21,27-30,33-34,37,49,54H,17-20H2,1-11H3,(H,45,53)/b36-31+/t27-,28-,29-,30+,33+,34+,37-,43-,44+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)Br)OC(=O)C3=CC=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C38H35BrO9/c1-22-5-13-26(14-6-22)35(40)44-21-30-31(46-36(41)27-15-7-23(2)8-16-27)32(47-37(42)28-17-9-24(3)10-18-28)33(34(39)45-30)48-38(43)29-19-11-25(4)12-20-29/h5-20,30-34H,21H2,1-4H3/t30-,31-,32+,33-,34+/m1/s1
SMILES: CC1=CC(=NO1)NC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C24H19N3O4/c1-12-10-17(26-31-12)25-18(28)11-27-23(29)21-19-13-6-2-3-7-14(13)20(22(21)24(27)30)16-9-5-4-8-15(16)19/h2-10,19-22H,11H2,1H3,(H,25,26,28)/t19?,20?,21-,22+
SMILES: CCCCC[C@@H](C)[C@H]1CC[C@]2([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C
InChI: InChI=1S/C34H60/c1-9-10-11-13-24(2)25-16-21-31(5)26(25)17-22-33(7)28(31)14-15-29-32(6)20-12-19-30(3,4)27(32)18-23-34(29,33)8/h24-29H,9-23H2,1-8H3/t24-,25-,26-,27+,28-,29-,31+,32+,33-,34-/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OC
InChI: InChI=1S/C33H52O4/c1-20(2)22-12-17-33(28(35)36-9)19-18-31(7)23(27(22)33)10-11-25-30(6)15-14-26(37-21(3)34)29(4,5)24(30)13-16-32(25,31)8/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27?,30-,31+,32+,33-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)OC[C@@H](CO)O)C[As](=S)(C)C
InChI: InChI=1S/C14H25AsO8S/c1-8(17)21-12-11(5-15(3,4)24)23-14(13(12)22-9(2)18)20-7-10(19)6-16/h10-14,16,19H,5-7H2,1-4H3/t10-,11-,12-,13-,14-/m1/s1
SMILES: C[C@@]12CC[C@@](C1(C)C)([C@@H](C2=O)Br)C(=O)N3CCCCC3
InChI: InChI=1S/C16H24BrNO2/c1-14(2)15(3)7-8-16(14,11(17)12(15)19)13(20)18-9-5-4-6-10-18/h11H,4-10H2,1-3H3/t11-,15+,16-/m1/s1
SMILES: CCOC(=O)N1[C@H]([C@@H](N=C1N[C@@H](CC2=CC=CC=C2)CCl)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C27H28ClN3O2/c1-2-33-27(32)31-25(22-16-10-5-11-17-22)24(21-14-8-4-9-15-21)30-26(31)29-23(19-28)18-20-12-6-3-7-13-20/h3-17,23-25H,2,18-19H2,1H3,(H,29,30)/t23-,24-,25-/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CCOCCO)[C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC(=C(C=C5)C)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C53H80N2O10/c1-6-8-9-10-11-12-13-14-15-20-32-62-52(59)55(27-33-61-34-30-58)49-38-47(54-60-5)45-36-41(21-16-18-28-56)44(22-17-19-29-57)50-46-37-43(64-42-24-23-39(3)40(4)35-42)25-26-48(46)65-53(49,51(45)50)63-31-7-2/h7,23-26,35-37,41,44,49-51,56-58H,2,6,8-22,27-34,38H2,1,3-5H3/t41-,44+,49-,50+,51+,53+/m0/s1
SMILES: CC[C@@H]1[C@@H](N(C2=C(C1=O)C(=O)CC(C2)(C)C)C3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI: InChI=1S/C26H29NO3/c1-5-20-24(17-9-7-6-8-10-17)27(18-11-13-19(30-4)14-12-18)21-15-26(2,3)16-22(28)23(21)25(20)29/h6-14,20,24H,5,15-16H2,1-4H3/t20-,24+/m1/s1
SMILES: COCC1=CN(N=N1)C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)N4CCC(CC4)C(=O)N
InChI: InChI=1S/C19H30N6O3/c1-28-12-15-9-25(22-21-15)10-16-8-14-4-7-24(16)11-17(14)19(27)23-5-2-13(3-6-23)18(20)26/h9,13-14,16-17H,2-8,10-12H2,1H3,(H2,20,26)/t14-,16-,17+/m1/s1
SMILES: CC(C)[C@@]1(CC[C@H](C1)N[C@@H]2CCOC[C@H]2C(F)(F)F)C(=O)N3CCC4=C(C3)C=C(C=N4)C(F)(F)F
InChI: InChI=1S/C24H31F6N3O2/c1-14(2)22(6-3-17(10-22)32-20-5-8-35-13-18(20)24(28,29)30)21(34)33-7-4-19-15(12-33)9-16(11-31-19)23(25,26)27/h9,11,14,17-18,20,32H,3-8,10,12-13H2,1-2H3/t17-,18-,20-,22+/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@](C2(C)C)(CC1=O)O)O)OC(=O)CC(C4=CC=CC=C4)[N+](C)(C)C)C)O)OC(=O)C.[I-]
InChI: InChI=1S/C34H48NO8.HI/c1-19-24(37)18-34(41)30(39)28-20(2)25(43-26(38)17-23(35(7,8)9)22-13-11-10-12-14-22)15-16-33(28,6)31(40)29(42-21(3)36)27(19)32(34,4)5;/h10-14,23,25,28-31,39-41H,2,15-18H2,1,3-9H3;1H/q+1;/p-1/t23?,25-,28-,29+,30-,31-,33+,34+;/m0./s1
SMILES: C[C@H]1CC[C@@H](O[C@@H]1[C@@H]2[C@H](CC[C@@H](O2)[C@H]3[C@H](C(CCO3)O)C)C)[C@H]4[C@H](C(CCO4)O)C
InChI: InChI=1S/C24H42O6/c1-13-5-7-19(23-15(3)17(25)9-11-27-23)29-21(13)22-14(2)6-8-20(30-22)24-16(4)18(26)10-12-28-24/h13-26H,5-12H2,1-4H3/t13-,14-,15-,16-,17?,18?,19+,20+,21-,22-,23+,24+/m0/s1
SMILES: CCC(=O)[C@@H]1[C@H]2CC[C@H](N2CCCN(CCSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)NCCSC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C[C@@H]1C9=CC=C(C=C9)F
InChI: InChI=1S/C63H66FN3O2S2/c1-2-59(68)61-57(48-34-36-55(64)37-35-48)46-56-38-39-58(61)67(56)42-21-41-66(43-45-71-63(52-28-15-6-16-29-52,53-30-17-7-18-31-53)54-32-19-8-20-33-54)47-60(69)65-40-44-70-62(49-22-9-3-10-23-49,50-24-11-4-12-25-50)51-26-13-5-14-27-51/h3-20,22-37,56-58,61H,2,21,38-47H2,1H3,(H,65,69)/t56-,57+,58+,61-/m0/s1
SMILES: CCCCCN(CC(=O)NC1=NOC=C1)C(=O)[C@@H]2C[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C20H25N3O3/c1-2-3-7-11-23(14-19(24)21-18-10-12-26-22-18)20(25)17-13-16(17)15-8-5-4-6-9-15/h4-6,8-10,12,16-17H,2-3,7,11,13-14H2,1H3,(H,21,22,24)/t16-,17+/m0/s1
SMILES: CCC[C@]1([C@]2([C@@]1(C([NH+]=C2N)(OCC)OCC)C#N)C#N)C3=CC=CC=C3
InChI: InChI=1S/C20H24N4O2/c1-4-12-17(15-10-8-7-9-11-15)18(13-21)16(23)24-20(25-5-2,26-6-3)19(17,18)14-22/h7-11H,4-6,12H2,1-3H3,(H2,23,24)/p+1/t17-,18+,19-/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@@H](CC(=O)C3=CC4=C(C=C23)OCO4)C(=O)OC)OC
InChI: InChI=1S/C21H20O7/c1-24-16-5-4-11(6-17(16)25-2)20-13-9-19-18(27-10-28-19)8-12(13)15(22)7-14(20)21(23)26-3/h4-6,8-9,14,20H,7,10H2,1-3H3/t14-,20-/m1/s1
SMILES: C1C[C@H](OC1)COC(=O)[C@@H]2CC=CC[C@H]2C(=O)NCC3=CC=CC=C3
InChI: InChI=1S/C20H25NO4/c22-19(21-13-15-7-2-1-3-8-15)17-10-4-5-11-18(17)20(23)25-14-16-9-6-12-24-16/h1-5,7-8,16-18H,6,9-14H2,(H,21,22)/t16-,17+,18+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)C#N
InChI: InChI=1S/C19H24N2O3/c1-12-5-4-6-17(13(12)2)21-18(22)14(3)24-19(23)16-9-7-15(11-20)8-10-16/h7-10,12-14,17H,4-6H2,1-3H3,(H,21,22)/t12-,13+,14+,17-/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@@H](C2=O)C(N4[C@H]3C5=CC=CC=C5C=N4)(C#N)C#N
InChI: InChI=1S/C22H15N5O2/c23-12-22(13-24)18-17(19-16-9-5-4-8-15(16)10-25-27(19)22)20(28)26(21(18)29)11-14-6-2-1-3-7-14/h1-10,17-19H,11H2/t17-,18-,19-/m0/s1
SMILES: C[C@H]1[C@H]2C(=C(C1=O)C[C@@H](C)CNC(=O)C)C[C@@H]3[C@@]2(CC[C@@H]4[C@@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C29H43NO3/c1-16(15-30-18(3)31)12-23-22-14-25-21-7-6-19-13-20(32)8-10-28(19,4)24(21)9-11-29(25,5)26(22)17(2)27(23)33/h6,16-17,20-21,24-26,32H,7-15H2,1-5H3,(H,30,31)/t16-,17+,20+,21+,24-,25+,26+,28+,29+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC[C@H]3[C@H](C/C=C\C[C@@H](O3)[C@@H](CO)O)OCC4=CC=CC=C4
InChI: InChI=1S/C34H44O5Si/c1-34(2,3)40(28-17-9-5-10-18-28,29-19-11-6-12-20-29)38-24-23-33-32(37-26-27-15-7-4-8-16-27)22-14-13-21-31(39-33)30(36)25-35/h4-20,30-33,35-36H,21-26H2,1-3H3/b14-13-/t30-,31-,32+,33+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H]1[C@@H]2C[C@H]2[C@@H]3C[C@H]3[C@@H]4C[C@H]4[C@@H]5C[C@H]5/C=C/C=C/CO
InChI: InChI=1S/C27H44O2Si/c1-27(2,3)30(4,5)29-16-18-12-20(18)22-14-24(22)26-15-25(26)23-13-21(23)19-11-17(19)9-7-6-8-10-28/h6-9,17-26,28H,10-16H2,1-5H3/b8-6+,9-7+/t17-,18+,19-,20-,21+,22+,23-,24-,25+,26+/m1/s1
SMILES: CCC1=CC=CC(=C1NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C
InChI: InChI=1S/C20H26N2O3/c1-3-14-8-6-7-13(2)18(14)21-17(23)11-12-22-19(24)15-9-4-5-10-16(15)20(22)25/h6-8,15-16H,3-5,9-12H2,1-2H3,(H,21,23)/t15-,16-/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)NC(=O)NCC4=CC=CC=C4)CN(C)[C@@H](C)C5=CC=CC=C5
InChI: InChI=1S/C36H41N3O4/c1-25-33(23-39(3)26(2)29-13-8-5-9-14-29)42-35(43-34(25)30-19-17-28(24-40)18-20-30)31-15-10-16-32(21-31)38-36(41)37-22-27-11-6-4-7-12-27/h4-21,25-26,33-35,40H,22-24H2,1-3H3,(H2,37,38,41)/t25-,26-,33+,34+,35+/m0/s1
SMILES: C[C@@]1([C@@H](N2[C@H](S1)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C=C\C5=NC=CS5
InChI: InChI=1S/C25H22N2O3S2/c1-25(13-12-19-26-14-15-31-19)23(27-20(28)16-21(27)32-25)24(29)30-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21-23H,16H2,1H3/b13-12-/t21-,23+,25+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCC6=CC(=CC=C6)C#N
InChI: InChI=1S/C29H26N2O7/c1-34-23-7-17(8-24(35-2)28(23)32)25-18-9-21-22(38-14-37-21)10-19(18)27(20-13-36-29(33)26(20)25)31-12-16-5-3-4-15(6-16)11-30/h3-10,20,25-27,31-32H,12-14H2,1-2H3/t20?,25-,26+,27-/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4
InChI: InChI=1S/C20H27ClN2O3S/c21-18-8-7-16(13-19(18)27(25,26)23-10-3-4-11-23)20(24)22-12-9-15-5-1-2-6-17(15)14-22/h7-8,13,15,17H,1-6,9-12,14H2/t15-,17-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2C=C(N3C4=CC=CC=C4C5=C3[C@H]2CCC5)C6=CC=CC=C6
InChI: InChI=1S/C28H25NO/c1-30-21-16-14-19(15-17-21)25-18-27(20-8-3-2-4-9-20)29-26-13-6-5-10-22(26)23-11-7-12-24(25)28(23)29/h2-6,8-10,13-18,24-25H,7,11-12H2,1H3/t24-,25+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2CC(=O)[C@H]3[C@@H](NC4=CC=CC=C4NC3=C2)C5=CC=CC=C5OC
InChI: InChI=1S/C27H26N2O3/c1-31-19-13-11-17(12-14-19)18-15-23-26(24(30)16-18)27(20-7-3-6-10-25(20)32-2)29-22-9-5-4-8-21(22)28-23/h3-15,18,26-29H,16H2,1-2H3/t18-,26+,27+/m1/s1
SMILES: CN1CN([C@@H]([C@H](C1=O)O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H18N2O3/c1-19-12-20(17(22)14-10-6-3-7-11-14)15(16(21)18(19)23)13-8-4-2-5-9-13/h2-11,15-16,21H,12H2,1H3/t15-,16-/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CC[C@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C21H29N5O/c1-15(2)16-7-9-18(10-8-16)21-22-24-26(23-21)14-20(27)25-12-11-17-5-3-4-6-19(17)13-25/h7-10,15,17,19H,3-6,11-14H2,1-2H3/t17-,19-/m1/s1
SMILES: C[C@@]12CC[C@](C1(C)C)([C@@H](C2=O)Br)C(=O)NC3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C19H24BrNO4/c1-17(2)18(3)8-9-19(17,14(20)15(18)22)16(23)21-12-7-6-11(24-4)10-13(12)25-5/h6-7,10,14H,8-9H2,1-5H3,(H,21,23)/t14-,18+,19+/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C36H40O7/c1-37-31-20-18-30(19-21-31)22-39-26-32-33(40-23-27-12-6-3-7-13-27)34(41-24-28-14-8-4-9-15-28)35(36(38-2)43-32)42-25-29-16-10-5-11-17-29/h3-21,32-36H,22-26H2,1-2H3/t32-,33-,34+,35+,36+/m1/s1
SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C19H19N3O7/c1-11-5-4-8-14(22(27)28)17(11)20-15(23)10-29-16(24)9-21-18(25)12-6-2-3-7-13(12)19(21)26/h2-5,8,12-13H,6-7,9-10H2,1H3,(H,20,23)/t12-,13-/m1/s1
SMILES: C/C/1=C\[C@H]([C@H]([C@@H](C/C(=C/CC1)/C)OCC(=O)C2=CC=C(C=C2)O)C(C)C)O
InChI: InChI=1S/C23H32O4/c1-15(2)23-20(25)12-16(3)6-5-7-17(4)13-22(23)27-14-21(26)18-8-10-19(24)11-9-18/h7-12,15,20,22-25H,5-6,13-14H2,1-4H3/b16-12+,17-7+/t20-,22-,23-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=CC=C3Cl)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H15ClN2O2/c19-16-9-3-8-15-13-6-2-7-14(13)17(20-18(15)16)11-4-1-5-12(10-11)21(22)23/h1-6,8-10,13-14,17,20H,7H2/t13-,14+,17+/m1/s1
SMILES: CCC1(C(=O)N(C(=O)N1)CC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC
InChI: InChI=1S/C19H31N3O5/c1-5-19(6-2)17(25)22(18(26)21-19)11-15(23)27-13(4)16(24)20-14-10-8-7-9-12(14)3/h12-14H,5-11H2,1-4H3,(H,20,24)(H,21,26)/t12-,13+,14-/m0/s1
SMILES: C[C@H]1[C@@H]2CC3=C(C(=O)O[C@H]3C[C@]2(C[C@H](C1=O)Br)C)C
InChI: InChI=1S/C15H19BrO3/c1-7-9-4-10-8(2)13(17)11(16)5-15(10,3)6-12(9)19-14(7)18/h8,10-12H,4-6H2,1-3H3/t8-,10-,11+,12-,15+/m0/s1
SMILES: CO[C@@H]1C(=O)C(=C(SC)SC)[C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3
InChI: InChI=1S/C17H20O5S2/c1-19-16-13(18)12(17(23-2)24-3)14-11(21-16)9-20-15(22-14)10-7-5-4-6-8-10/h4-8,11,14-16H,9H2,1-3H3/t11-,14-,15-,16+/m1/s1
SMILES: C[C@@]12[C@@H]3C[C@H]([C@@H]1C(=O)N(C2=O)C4=CC=CC(=C4)C(F)(F)F)C=C3
InChI: InChI=1S/C17H14F3NO2/c1-16-10-6-5-9(7-10)13(16)14(22)21(15(16)23)12-4-2-3-11(8-12)17(18,19)20/h2-6,8-10,13H,7H2,1H3/t9-,10+,13-,16-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]([C@@H]([C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N2C=NC3=C2N=CN=C3Cl
InChI: InChI=1S/C28H53ClN4O3Si3/c1-26(2,3)37(10,11)34-20-16-19(33-18-32-21-24(29)30-17-31-25(21)33)22(35-38(12,13)27(4,5)6)23(20)36-39(14,15)28(7,8)9/h17-20,22-23H,16H2,1-15H3/t19-,20+,22+,23-/m1/s1
SMILES: CC(=O)S[C@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C
InChI: InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19-,21+,22-,23-,24+/m0/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC=CC=C5C=COCCO)C(=O)NCC6=CC(=CC=C6)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C48H67N3O12/c1-6-8-12-22-47(23-13-9-7-2)61-39-37-28-48(45(57)49-29-32-15-14-18-34(27-32)43(55)50-36(31-53)19-20-38(54)60-46(3,4)5)41(44(56)59-37)51(63-42(48)40(39)62-47)30-35-17-11-10-16-33(35)21-25-58-26-24-52/h10-11,14-18,21,25,27,36-37,39-42,52-53H,6-9,12-13,19-20,22-24,26,28-31H2,1-5H3,(H,49,57)(H,50,55)/t36-,37+,39-,40-,41-,42+,48-/m0/s1
SMILES: C1C[C@@H]2[C@H]([C@]3(C1)OCC4=C(O3)C=CC(=C4)Br)OC(=O)O2
InChI: InChI=1S/C14H13BrO5/c15-9-3-4-10-8(6-9)7-17-14(20-10)5-1-2-11-12(14)19-13(16)18-11/h3-4,6,11-12H,1-2,5,7H2/t11-,12-,14-/m1/s1
SMILES: CC1=CC=C(C=C1)OCC(=O)NNC(=O)[C@H]2[C@H]3C[C@@H]([C@@]2(C)C(=O)[O-])C=C3
InChI: InChI=1S/C19H22N2O5/c1-11-3-7-14(8-4-11)26-10-15(22)20-21-17(23)16-12-5-6-13(9-12)19(16,2)18(24)25/h3-8,12-13,16H,9-10H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/p-1/t12-,13+,16-,19-/m1/s1
SMILES: C=CC[C@H]1[C@@H]2CS[C@H](N2C(=O)N1CC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H22N2OS/c1-2-9-18-19-15-25-20(17-12-7-4-8-13-17)23(19)21(24)22(18)14-16-10-5-3-6-11-16/h2-8,10-13,18-20H,1,9,14-15H2/t18-,19-,20-/m0/s1
SMILES: COC1=CC=C(C=C1)CN2[C@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)[C@@H]4CCCO4
InChI: InChI=1S/C18H22N2O5S2/c1-24-13-6-4-12(5-7-13)9-20-14-10-27(22,23)11-16(14)26-18(20)19-17(21)15-3-2-8-25-15/h4-7,14-16H,2-3,8-11H2,1H3/t14-,15-,16-/m0/s1
SMILES: C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC=C(C=C1)F)N2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H23FN2O5/c1-11(23-18(25)15-5-3-4-6-16(15)19(23)26)20(27)28-12(2)17(24)22-14-9-7-13(21)8-10-14/h7-12,15-16H,3-6H2,1-2H3,(H,22,24)/t11-,12+,15-,16-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=C(C=C(C=C4)Cl)O
InChI: InChI=1S/C15H12ClNO3/c16-9-3-4-10(11(18)6-9)17-14(19)12-7-1-2-8(5-7)13(12)15(17)20/h1-4,6-8,12-13,18H,5H2/t7-,8+,12-,13+
SMILES: COC(=O)C1([C@H]2[C@H](C(=O)N(C2=O)C3=CC=CC=C3)ON1)C(=O)OC
InChI: InChI=1S/C15H14N2O7/c1-22-13(20)15(14(21)23-2)9-10(24-16-15)12(19)17(11(9)18)8-6-4-3-5-7-8/h3-7,9-10,16H,1-2H3/t9-,10+/m0/s1
SMILES: C[C@]12[C@@H]3CCC([C@@H]1[C@H]4[C@@H](C(=O)[C@H]2[C@@H](O3)OC)OC(O4)(C)C)(C)C
InChI: InChI=1S/C18H28O5/c1-16(2)8-7-9-18(5)10(15(20-6)21-9)11(19)12-13(14(16)18)23-17(3,4)22-12/h9-10,12-15H,7-8H2,1-6H3/t9-,10-,12+,13+,14-,15+,18+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=C(C=C7)O)C(=O)N(C5=O)C8=CC=C(C=C8)C=C
InChI: InChI=1S/C41H35N3O5/c1-3-25-11-17-29(18-12-25)43-37(46)32-22-21-31-33(35(32)39(43)48)23-34-38(47)44(42-28-15-9-24(2)10-16-28)40(49)41(34,27-7-5-4-6-8-27)36(31)26-13-19-30(45)20-14-26/h3-21,32-36,42,45H,1,22-23H2,2H3/t32-,33+,34-,35-,36-,41+/m0/s1
SMILES: COC1=CC=CC=C1NC(=O)[C@@H]2[C@H](NC(=O)NC2=C)C3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C20H18F3N3O3/c1-11-16(18(27)25-14-5-3-4-6-15(14)29-2)17(26-19(28)24-11)12-7-9-13(10-8-12)20(21,22)23/h3-10,16-17H,1H2,2H3,(H,25,27)(H2,24,26,28)/t16-,17+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2NC(=S)NC3=CC=C(C=C3)SC(F)F
InChI: InChI=1S/C15H18F2N2S2/c16-14(17)21-12-5-3-11(4-6-12)18-15(20)19-13-8-9-1-2-10(13)7-9/h3-6,9-10,13-14H,1-2,7-8H2,(H2,18,19,20)/t9-,10+,13+/m0/s1
SMILES: CC(C)[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H](C1=O)C3(C4=CC=CC=C4C2C5=CC=CC=C53)Br
InChI: InChI=1S/C23H20BrNO4/c1-11(2)19(22(28)29)25-20(26)17-16-12-7-3-5-9-14(12)23(24,18(17)21(25)27)15-10-6-4-8-13(15)16/h3-11,16-19H,1-2H3,(H,28,29)/t16?,17-,18-,19-,23?/m0/s1
SMILES: CC1[C@@H](C[C@H]2[C@@]3(CCCC([C@H]3CC[C@@]2([C@H]1CC/C(=C\CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)/C)C)(C)C)C)O
InChI: InChI=1S/C41H62O2Si/c1-30(24-28-43-44(38(3,4)5,32-17-12-10-13-18-32)33-19-14-11-15-20-33)21-22-34-31(2)35(42)29-37-40(34,8)27-23-36-39(6,7)25-16-26-41(36,37)9/h10-15,17-20,24,31,34-37,42H,16,21-23,25-29H2,1-9H3/b30-24-/t31?,34-,35+,36+,37+,40+,41+/m0/s1
SMILES: CC(C)CC=C[C@H](C1=CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@H]4O)C)C)C(=O)[O-]
InChI: InChI=1S/C27H42O3/c1-17(2)6-5-7-20(25(29)30)18-12-14-26(3)19(16-18)8-9-21-22-10-11-24(28)27(22,4)15-13-23(21)26/h5,7,12,17,19-24,28H,6,8-11,13-16H2,1-4H3,(H,29,30)/p-1/t19-,20+,21-,22+,23-,24-,26-,27-/m0/s1
SMILES: C[C@@H]([C@H]1CN2CC[C@@]34[C@@H]2[C@@H]([C@@H]1C(=C3NC5=CC=CC=C45)C(=O)OC)[Se]C6=CC=CC=C6)OC(=O)C
InChI: InChI=1S/C28H30N2O4Se/c1-16(34-17(2)31)19-15-30-14-13-28-20-11-7-8-12-21(20)29-25(28)23(27(32)33-3)22(19)24(26(28)30)35-18-9-5-4-6-10-18/h4-12,16,19,22,24,26,29H,13-15H2,1-3H3/t16-,19+,22-,24+,26-,28-/m0/s1
SMILES: CC(C)[C@@H](C(=O)C1=CC=CC=C1O)NC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CC4)C(=O)C(=O)N)C3(C)C)C(C)(C)C
InChI: InChI=1S/C33H47N5O7/c1-16(2)23(25(40)18-10-8-9-11-21(18)39)36-31(45)37-27(32(3,4)5)30(44)38-15-19-22(33(19,6)7)24(38)29(43)35-20(14-17-12-13-17)26(41)28(34)42/h8-11,16-17,19-20,22-24,27,39H,12-15H2,1-7H3,(H2,34,42)(H,35,43)(H2,36,37,45)/t19-,20?,22-,23-,24-,27+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H](C(O2)F)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C34H35FO5/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-34H,21-25H2/t30-,31-,32+,33-,34?/m1/s1