EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC=C(C=C1)C2=NO[C@H]([C@@H]2[N+](=O)[O-])C3=CC=C(C=C3)Br
InChI: InChI=1S/C15H11BrN2O3/c16-12-8-6-11(7-9-12)15-14(18(19)20)13(17-21-15)10-4-2-1-3-5-10/h1-9,14-15H/t14-,15+/m1/s1
SMILES: C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/p-1/t15-,17+,18-,19-,20+,21-,23+,24-/m1/s1
SMILES: COCCNC(=O)NC(=O)COC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O
InChI: InChI=1S/C16H21N3O7/c1-25-7-6-17-16(24)18-12(20)9-26-13(21)8-19-14(22)10-4-2-3-5-11(10)15(19)23/h2-3,10-11H,4-9H2,1H3,(H2,17,18,20,24)/t10-,11-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=CC=C2OC3=CC=CC=C3
InChI: InChI=1S/C22H25NO4/c1-16-9-5-7-13-19(16)23-21(24)15-26-22(25)18-12-6-8-14-20(18)27-17-10-3-2-4-11-17/h2-4,6,8,10-12,14,16,19H,5,7,9,13,15H2,1H3,(H,23,24)/t16-,19+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)O)Cl
InChI: InChI=1S/C23H30ClN5O4Si/c1-23(2,3)34(4,5)32-11-15-16(24)18(30)22(33-15)29-13-27-17-19(25-12-26-20(17)29)28-21(31)14-9-7-6-8-10-14/h6-10,12-13,15-16,18,22,30H,11H2,1-5H3,(H,25,26,28,31)/t15-,16+,18-,22-/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCSC6=CC=CC=C6)OCC=C)CCCCO)CCCCO)C(=O)CC7=CC(=CC=C7)OC
InChI: InChI=1S/C54H65N3O10S/c1-4-26-56(51(60)33-39-14-13-16-42(32-39)63-3)50-36-48(55-66-37-38-20-22-41(23-21-38)57(61)62)46-34-40(15-9-11-27-58)45(19-10-12-28-59)52-47-35-43(64-30-31-68-44-17-7-6-8-18-44)24-25-49(47)67-54(50,53(46)52)65-29-5-2/h5-8,13-14,16-18,20-25,32,34-35,40,45,50,52-53,58-59H,2,4,9-12,15,19,26-31,33,36-37H2,1,3H3/t40-,45+,50-,52+,53+,54+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@H](CCC2=O)C(C)(C)C
InChI: InChI=1S/C16H22O3S/c1-11-5-7-12(8-6-11)20(18,19)15-13(16(2,3)4)9-10-14(15)17/h5-8,13,15H,9-10H2,1-4H3/t13-,15+/m0/s1
SMILES: CC(=O)N[C@]12[C@@H]([C@H]([C@H]3[C@H]([C@H]1OCC4=CC=CC=C4)O[C@H]([C@H]2OCC5=CC=CC=C5)O3)O)CC=C
InChI: InChI=1S/C27H31NO6/c1-3-10-20-21(30)22-23-24(31-15-18-11-6-4-7-12-18)27(20,28-17(2)29)25(26(33-22)34-23)32-16-19-13-8-5-9-14-19/h3-9,11-14,20-26,30H,1,10,15-16H2,2H3,(H,28,29)/t20-,21-,22+,23-,24-,25-,26-,27-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)OC3(O2)C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5Cl
InChI: InChI=1S/C21H20ClNO3/c22-16-9-3-1-7-14(16)13-23-17-10-4-2-8-15(17)21(20(23)24)25-18-11-5-6-12-19(18)26-21/h1-4,7-10,18-19H,5-6,11-13H2/t18-,19-/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Cl)C)C5=CC=C(C=C5)C(=O)OC)CCCO
InChI: InChI=1S/C34H33ClN2O8/c1-4-44-34-25(6-5-15-38)26(20-7-9-21(10-8-20)33(42)43-3)18-29(45-34)30(39)36-23-12-14-28(19(2)16-23)37-31(40)24-13-11-22(35)17-27(24)32(37)41/h7-14,16-18,25-26,34,38H,4-6,15H2,1-3H3,(H,36,39)/t25-,26+,34+/m0/s1
SMILES: CCOCC(=O)N(CCN1CCOCC1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C27H37N3O9/c1-3-37-16-22(33)30(6-5-29-7-10-38-11-8-29)20-14-19(27(35)28-4-9-31)23-18-12-17(15-32)13-21(36-2)25(18)39-26(23)24(20)34/h12-15,20,23-24,26,31,34H,3-11,16H2,1-2H3,(H,28,35)/t20-,23+,24+,26+/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C(=C6)I)O)OC)Cl)C7=C(C(=C(C(=C7F)F)F)F)F)Cl)(O)O
InChI: InChI=1S/C33H21BCl2F5IN2O8/c1-52-18-8-11(7-17(42)27(18)45)20-14-5-6-15-19(29(47)43(28(15)46)13-4-2-3-12(9-13)34(50)51)16(14)10-32(35)30(48)44(31(49)33(20,32)36)26-24(40)22(38)21(37)23(39)25(26)41/h2-5,7-9,15-16,19-20,45,50-51H,6,10H2,1H3/t15-,16+,19-,20-,32+,33-/m0/s1
SMILES: COC1=C(C(=CC=C1)OC)OCCNC(=O)[C@H]2[C@@H](CC3=CC=CC=C3O2)C4=CC=CC=C4
InChI: InChI=1S/C26H27NO5/c1-29-22-13-8-14-23(30-2)25(22)31-16-15-27-26(28)24-20(18-9-4-3-5-10-18)17-19-11-6-7-12-21(19)32-24/h3-14,20,24H,15-17H2,1-2H3,(H,27,28)/t20-,24+/m0/s1
SMILES: CC(C)C[C@H]([C@H]1[C@@H]2C[C@H]([C@@H]1C(C)C)C=C2)O
InChI: InChI=1S/C15H26O/c1-9(2)7-13(16)15-12-6-5-11(8-12)14(15)10(3)4/h5-6,9-16H,7-8H2,1-4H3/t11-,12+,13-,14+,15-/m1/s1
SMILES: CC1=CC(=C(C=C1C)N2CCN(CC2)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C)C(C)N(C(C)C)C(=O)C
InChI: InChI=1S/C34H48F2N4O2/c1-21(2)40(25(6)41)24(5)28-16-22(3)23(4)17-32(28)37-12-14-38(15-13-37)33(42)30-20-39(34(7,8)9)19-29(30)27-11-10-26(35)18-31(27)36/h10-11,16-18,21,24,29-30H,12-15,19-20H2,1-9H3/t24?,29-,30+/m0/s1
SMILES: CC(C)[C@@H](C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O)NC(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C19H28N2O8/c1-10(2)13(21-19(27)28-9-11-6-4-3-5-7-11)17(25)20-14-16(24)15(23)12(8-22)29-18(14)26/h3-7,10,12-16,18,22-24,26H,8-9H2,1-2H3,(H,20,25)(H,21,27)/t12-,13+,14-,15-,16-,18?/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@](C[C@@H]4[C@@]3(CC=CC4)C)(C)O)C
InChI: InChI=1S/C28H48O/c1-19(2)10-9-11-20(3)22-13-14-23-25-24(15-17-27(22,23)5)26(4)16-8-7-12-21(26)18-28(25,6)29/h7-8,19-25,29H,9-18H2,1-6H3/t20-,21-,22-,23+,24+,25+,26+,27-,28-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](N2S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C20H16ClNO2S/c21-17-11-13-18(14-12-17)25(23,24)22-19(15-7-3-1-4-8-15)20(22)16-9-5-2-6-10-16/h1-14,19-20H/t19-,20-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C
InChI: InChI=1S/C22H25N3O2S/c1-14-7-3-6-10-18(14)23-20(26)13-28-22-24-19-12-16-9-5-4-8-15(16)11-17(19)21(27)25(22)2/h4-5,8-9,11-12,14,18H,3,6-7,10,13H2,1-2H3,(H,23,26)/t14-,18-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F
InChI: InChI=1S/C23H35FN4O2/c1-16-6-4-9-21(17(16)2)26-23(30)18(3)28-12-10-27(11-13-28)15-22(29)25-20-8-5-7-19(24)14-20/h5,7-8,14,16-18,21H,4,6,9-13,15H2,1-3H3,(H,25,29)(H,26,30)/t16-,17-,18-,21-/m1/s1
SMILES: COCO[C@]12[C@H](C3=C(C=C(C=C3OCC4=CC=CC=C4)C(=O)OC)N(O1)C[C@H]5[C@@H]2N5C(=O)OC)CO
InChI: InChI=1S/C25H28N2O9/c1-31-14-35-25-17(12-28)21-18(26(36-25)11-19-22(25)27(19)24(30)33-3)9-16(23(29)32-2)10-20(21)34-13-15-7-5-4-6-8-15/h4-10,17,19,22,28H,11-14H2,1-3H3/t17-,19-,22-,25+,27?/m0/s1
SMILES: CC1([C@H]2CC[C@H]([C@@H]1C2)CN([C@@H]3CC(=C[C@@H]([C@H]3O)OC4=CC=CC=C4I)C(=O)NCCO)C(=O)COC)C
InChI: InChI=1S/C28H39IN2O6/c1-28(2)19-9-8-17(20(28)14-19)15-31(25(33)16-36-3)22-12-18(27(35)30-10-11-32)13-24(26(22)34)37-23-7-5-4-6-21(23)29/h4-7,13,17,19-20,22,24,26,32,34H,8-12,14-16H2,1-3H3,(H,30,35)/t17-,19-,20-,22+,24-,26-/m0/s1
SMILES: C1CCC2=C(CC1)C(=C(C2)N3C(=O)[C@H]4CC=C(C[C@H]4C3=O)Cl)C#N
InChI: InChI=1S/C19H19ClN2O2/c20-12-6-7-14-15(9-12)19(24)22(18(14)23)17-8-11-4-2-1-3-5-13(11)16(17)10-21/h6,14-15H,1-5,7-9H2/t14-,15+/m0/s1
SMILES: C[C@H](C[C@H]1C[C@](C(=O)O1)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C27H40O5/c1-16(12-21-15-27(4,31)25(30)32-21)22-9-10-23-18(6-5-11-26(22,23)3)7-8-19-13-20(28)14-24(29)17(19)2/h7-8,16,20-24,28-29,31H,2,5-6,9-15H2,1,3-4H3/b18-7+,19-8-/t16-,20-,21+,22-,23+,24+,26-,27+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O)O)NC(=O)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C31H46Cl3NO7Si2/c1-29(2,3)43(7,8)42-27-24(35-28(38)39-20-31(32,33)34)26(37)25(36)23(41-27)19-40-44(30(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-27,36-37H,19-20H2,1-8H3,(H,35,38)/t23-,24-,25-,26-,27+/m1/s1
SMILES: C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC(=C(C=C6)O)O)O)O)O)O
InChI: InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
SMILES: C1C=C2[C@H](CS1)[C@@H](C(C(=N)[C@@H]2C#N)(C#N)C#N)C3=CC(=CC=C3)OCC(=O)N
InChI: InChI=1S/C20H17N5O2S/c21-7-15-14-4-5-28-9-16(14)18(20(10-22,11-23)19(15)25)12-2-1-3-13(6-12)27-8-17(24)26/h1-4,6,15-16,18,25H,5,8-9H2,(H2,24,26)/t15-,16+,18+/m1/s1
SMILES: C[C@@H]([C@@]1(CC[C@]2([C@@]1([C@@H](C[C@H]3[C@]2(CC=C4[C@@]3(CC[C@@H](C4)O)C)O)OC(=O)C5=CC=CC=C5)C)O)O)OC(=O)/C=C/C6=CC=CC=C6
InChI: InChI=1S/C37H44O8/c1-24(44-31(39)15-14-25-10-6-4-7-11-25)35(41)20-21-37(43)34(35,3)30(45-32(40)26-12-8-5-9-13-26)23-29-33(2)18-17-28(38)22-27(33)16-19-36(29,37)42/h4-16,24,28-30,38,41-43H,17-23H2,1-3H3/b15-14+/t24-,28-,29+,30+,33-,34+,35+,36-,37+/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)[C@@H]4CCCN4C(=O)C(F)(F)F)CSC5=CC=C(C=C5)NC(=O)C
InChI: InChI=1S/C34H36F3N3O6S/c1-20-29(19-47-27-14-12-25(13-15-27)38-21(2)42)45-32(46-30(20)23-10-8-22(18-41)9-11-23)24-5-3-6-26(17-24)39-31(43)28-7-4-16-40(28)33(44)34(35,36)37/h3,5-6,8-15,17,20,28-30,32,41H,4,7,16,18-19H2,1-2H3,(H,38,42)(H,39,43)/t20-,28-,29+,30+,32+/m0/s1
SMILES: CC1(C[C@H]2[C@H](N(NC2=CO1)C(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=C(C=C4)OC)C
InChI: InChI=1S/C23H25N3O6/c1-23(2)12-17-18(13-32-23)24-25(21(17)14-5-8-16(30-3)9-6-14)22(27)15-7-10-20(31-4)19(11-15)26(28)29/h5-11,13,17,21,24H,12H2,1-4H3/t17-,21-/m1/s1
SMILES: CC(CC=C(C)C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)O)O
InChI: InChI=1S/C17H26O4/c1-10(2)4-5-11(3)14(18)7-6-12-13-8-17(20)21-16(13)9-15(12)19/h4,6-7,11-16,18-19H,5,8-9H2,1-3H3/b7-6+/t11?,12-,13-,14-,15-,16+/m1/s1
SMILES: CCOC1=CC=CC(=C1)N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC(=C(C=C5OC)OC)OC
InChI: InChI=1S/C28H28N2O7/c1-5-36-19-13-9-12-18(14-19)29-27(31)24-25(20-15-22(34-3)23(35-4)16-21(20)33-2)30(37-26(24)28(29)32)17-10-7-6-8-11-17/h6-16,24-26H,5H2,1-4H3/t24-,25+,26+/m0/s1
SMILES: CC1=NC(=O)[C@H](NC1=O)[C@@H]2[C@@H]([C@@H]([C@@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C31H26N2O9/c1-18-27(34)33-23(28(35)32-18)25-26(42-31(38)21-15-9-4-10-16-21)24(41-30(37)20-13-7-3-8-14-20)22(40-25)17-39-29(36)19-11-5-2-6-12-19/h2-16,22-26H,17H2,1H3,(H,33,34)/t22-,23+,24+,25+,26+/m0/s1
SMILES: CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H38O8S/c1-22(2)43-33-32(41-25(5)37)31(40-24(4)36)30(39-23(3)35)29(42-33)21-38-34(26-15-9-6-10-16-26,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,22,29-33H,21H2,1-5H3/t29-,30+,31+,32-,33+/m1/s1
SMILES: COC(=O)[C@@H]1[C@H](C[C@H]2N(C1=O)[C@@H](CO2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H21NO4/c1-25-21(24)19-16(14-8-4-2-5-9-14)12-18-22(20(19)23)17(13-26-18)15-10-6-3-7-11-15/h2-11,16-19H,12-13H2,1H3/t16-,17+,18+,19-/m1/s1
SMILES: C1C[C@H]([C@@H](C1)C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC(=CC=C5)C(=O)NC6=CC=CC=C6OC7=CC=CC=C7
InChI: InChI=1S/C40H34N2O3/c43-39(41-35-24-10-11-25-36(35)44-33-21-8-3-9-22-33)32-20-12-14-28(27-32)26-31-19-13-23-34(31)40-42-37(29-15-4-1-5-16-29)38(45-40)30-17-6-2-7-18-30/h1-12,14-18,20-22,24-25,27,31,34H,13,19,23,26H2,(H,41,43)/t31-,34+/m0/s1
SMILES: CC[C@H]1[C@@H]2CCC[C@@H](N2C(=O)OCC3=CC=CC=C3)CC(=O)N1N=O
InChI: InChI=1S/C18H23N3O4/c1-2-15-16-10-6-9-14(11-17(22)21(15)19-24)20(16)18(23)25-12-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3/t14-,15+,16+/m1/s1
SMILES: COCCOCN1N=CC(=C1)/C=C/CN2C(=O)N([C@@H]([C@@H]([C@H]([C@H]2CC3=CC=CC=C3)O)O)CC4=CC=CC=C4)C/C=C/C5=CN(N=C5)COCCOC
InChI: InChI=1S/C39H50N6O7/c1-49-19-21-51-29-42-27-33(25-40-42)15-9-17-44-35(23-31-11-5-3-6-12-31)37(46)38(47)36(24-32-13-7-4-8-14-32)45(39(44)48)18-10-16-34-26-41-43(28-34)30-52-22-20-50-2/h3-16,25-28,35-38,46-47H,17-24,29-30H2,1-2H3/b15-9+,16-10+/t35-,36-,37+,38+/m1/s1
SMILES: CC(C)[C@@H]1CC(=O)C[C@H]2[C@@H]1C(=O)C3=CC=CC=C3S2
InChI: InChI=1S/C16H18O2S/c1-9(2)12-7-10(17)8-14-15(12)16(18)11-5-3-4-6-13(11)19-14/h3-6,9,12,14-15H,7-8H2,1-2H3/t12-,14-,15+/m0/s1
SMILES: CN([C@H]1[C@@H](CCC2=CC=CC=C12)N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CN(C3=CC=CC=C32)C
InChI: InChI=1S/C21H28N2O3/c1-13-8-7-10-18(14(13)2)22-20(24)15(3)26-21(25)17-12-23(4)19-11-6-5-9-16(17)19/h5-6,9,11-15,18H,7-8,10H2,1-4H3,(H,22,24)/t13-,14-,15-,18+/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3C([C@@H]1CCC2C(=O)O)CCC4=CC(=O)C=C[C@]34C)O
InChI: InChI=1S/C20H26O4/c1-19-8-7-12(21)9-11(19)3-4-13-14-5-6-15(18(23)24)20(14,2)10-16(22)17(13)19/h7-9,13-17,22H,3-6,10H2,1-2H3,(H,23,24)/t13?,14-,15?,16-,17+,19-,20-/m0/s1
SMILES: C[C@@H]1[C@H](N([C@H]([C@@H](C1O)C)C2=CC=CC=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C20H25NO/c1-14-18(16-10-6-4-7-11-16)21(3)19(15(2)20(14)22)17-12-8-5-9-13-17/h4-15,18-20,22H,1-3H3/t14-,15+,18+,19-,20?
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)CC=O)OCC4=CC=CC=C4
InChI: InChI=1S/C23H26O6/c1-25-23-21(26-14-16-8-4-2-5-9-16)18(12-13-24)20-19(28-23)15-27-22(29-20)17-10-6-3-7-11-17/h2-11,13,18-23H,12,14-15H2,1H3/t18-,19+,20-,21+,22+,23-/m0/s1
SMILES: COC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC(=CC=C5)Br
InChI: InChI=1S/C22H17BrN2O4/c1-29-22(28)19-17-16(18-15-8-3-2-5-12(15)9-10-24(18)19)20(26)25(21(17)27)14-7-4-6-13(23)11-14/h2-11,16-19H,1H3/t16-,17+,18+,19-/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)C4=NC5=CC=CC=C5N=C4)CN(C)[C@H](C)C6=CC7=CC=CC=C7C=C6
InChI: InChI=1S/C41H40N4O4/c1-26-38(24-45(3)27(2)31-20-19-29-9-4-5-10-32(29)21-31)48-41(49-39(26)30-17-15-28(25-46)16-18-30)33-11-8-12-34(22-33)43-40(47)37-23-42-35-13-6-7-14-36(35)44-37/h4-23,26-27,38-39,41,46H,24-25H2,1-3H3,(H,43,47)/t26-,27+,38+,39+,41+/m0/s1
SMILES: CC1=CC2=C(C=C1)N[S@@](=O)[C@@H]3[C@@H]2[C@@H]4CC[C@H]3C4
InChI: InChI=1S/C14H17NOS/c1-8-2-5-12-11(6-8)13-9-3-4-10(7-9)14(13)17(16)15-12/h2,5-6,9-10,13-15H,3-4,7H2,1H3/t9-,10+,13-,14+,17+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)CSC6=CC=CC=C6C(=O)O
InChI: InChI=1S/C40H38N2O7S/c1-26-35(25-50-36-10-6-5-9-34(36)38(44)45)48-39(49-37(26)29-15-13-28(24-43)14-16-29)30-17-11-27(12-18-30)23-41-40(46)42-31-19-21-33(22-20-31)47-32-7-3-2-4-8-32/h2-22,26,35,37,39,43H,23-25H2,1H3,(H,44,45)(H2,41,42,46)/t26-,35+,37+,39+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC[C@H]([C@H]2CC(=O)NCC3=CC=CC=C3OC)O)(C)CO)OC(=O)NC4CCCCC4
InChI: InChI=1S/C30H46N2O6/c1-29-16-15-26(38-28(36)32-21-10-5-4-6-11-21)30(2,19-33)25(29)14-13-23(34)22(29)17-27(35)31-18-20-9-7-8-12-24(20)37-3/h7-9,12,21-23,25-26,33-34H,4-6,10-11,13-19H2,1-3H3,(H,31,35)(H,32,36)/t22-,23-,25+,26-,29+,30+/m1/s1
SMILES: C1CC[C@@]23[C@H](C1)[C@@H](C4=C([NH+]2CCO3)CCCC4)C5=CC=CC=C5
InChI: InChI=1S/C21H27NO/c1-2-8-16(9-3-1)20-17-10-4-5-12-19(17)22-14-15-23-21(22)13-7-6-11-18(20)21/h1-3,8-9,18,20H,4-7,10-15H2/p+1/t18-,20-,21-/m1/s1
SMILES: CCC[C@@H]1[C@H](N[C@H]([C@H]([C@]1(CCC)O)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C24H33NO/c1-4-12-21-23(20-15-10-7-11-16-20)25-22(19-13-8-6-9-14-19)18(3)24(21,26)17-5-2/h6-11,13-16,18,21-23,25-26H,4-5,12,17H2,1-3H3/t18-,21-,22-,23-,24+/m1/s1
SMILES: CCCO[C@@H]1[C@@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@@H]3COC(O3)(C)C
InChI: InChI=1S/C15H26O6/c1-6-7-16-11-10(9-8-17-14(2,3)19-9)18-13-12(11)20-15(4,5)21-13/h9-13H,6-8H2,1-5H3/t9-,10-,11+,12+,13+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N(C)CC(=O)N3CCOCC3
InChI: InChI=1S/C18H28N4O5/c1-13-5-3-4-6-18(13)16(25)22(17(26)19-18)12-14(23)20(2)11-15(24)21-7-9-27-10-8-21/h13H,3-12H2,1-2H3,(H,19,26)/t13-,18-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/N=C6CC(N(C(C6)(C)C)[O])(C)C)/C)O)N)O
InChI: InChI=1S/C36H45N4O10/c1-16-29(41)21(37)11-24(49-16)50-23-15-36(46,17(2)38-39-18-12-34(3,4)40(47)35(5,6)13-18)14-20-26(23)33(45)28-27(31(20)43)30(42)19-9-8-10-22(48-7)25(19)32(28)44/h8-10,16,21,23-24,29,41,43,45-46H,11-15,37H2,1-7H3/b38-17+/t16-,21-,23+,24-,29+,36+/m1/s1
SMILES: CCCN(C)C[C@@]1(CC[C@@H]2[C@@]1(CCC=C(CC[C@@H](CC3=CC(=C2C=C3)C(=O)C4CCCCC4)O)C)C)O
InChI: InChI=1S/C33H51NO3/c1-5-20-34(4)23-33(37)19-17-30-28-16-14-25(22-29(28)31(36)26-11-7-6-8-12-26)21-27(35)15-13-24(2)10-9-18-32(30,33)3/h10,14,16,22,26-27,30,35,37H,5-9,11-13,15,17-21,23H2,1-4H3/t27-,30-,32-,33+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1[C@H]([C@H]2[Te]C3=CC=CC=C3)SC4=CC=CC=C4
InChI: InChI=1S/C19H20STe/c1-3-7-16(8-4-1)20-18-14-11-12-15(13-14)19(18)21-17-9-5-2-6-10-17/h1-10,14-15,18-19H,11-13H2/t14-,15+,18+,19-/m0/s1
SMILES: C1C(=O)O[C@H]2[C@]13[C@H](N4C=CC(=O)N=C4O3)O[C@@H]2COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C30H24N2O6/c33-24-16-17-32-27-29(38-28(32)31-24)18-25(34)37-26(29)23(36-27)19-35-30(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23,26-27H,18-19H2/t23-,26-,27-,29+/m1/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)(CCCC=C)C=O
InChI: InChI=1S/C25H32N2O6S/c1-3-4-5-11-24(16-29)13-18-14-26-23(30)33-21(15-28)25(26)20(18)10-12-27(22(24)25)34(31,32)19-8-6-17(2)7-9-19/h3,6-9,16,18,20-22,28H,1,4-5,10-15H2,2H3/t18-,20-,21+,22-,24-,25+/m0/s1
SMILES: C/C(=C/C(=O)OC)/N[C@H]1[C@H](N(C1=O)C2=CC=CC=C2)/C=C/C3=CC=CC=C3OC
InChI: InChI=1S/C23H24N2O4/c1-16(15-21(26)29-3)24-22-19(14-13-17-9-7-8-12-20(17)28-2)25(23(22)27)18-10-5-4-6-11-18/h4-15,19,22,24H,1-3H3/b14-13+,16-15-/t19-,22+/m1/s1
SMILES: C[C@H](CCC(=O)C(C)(C)O)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)CO)O)C
InChI: InChI=1S/C28H42O4/c1-18(8-13-26(31)27(3,4)32)24-11-12-25-20(7-6-14-28(24,25)5)9-10-21-15-23(30)16-22(17-29)19(21)2/h9-11,18,22-23,25,29-30,32H,2,6-8,12-17H2,1,3-5H3/b20-9+,21-10-/t18-,22-,23-,25+,28-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C18H23N3O6/c1-12-5-2-3-8-15(12)20-16(22)11-27-17(23)10-19-18(24)13-6-4-7-14(9-13)21(25)26/h4,6-7,9,12,15H,2-3,5,8,10-11H2,1H3,(H,19,24)(H,20,22)/t12-,15-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]2C13C=C[C@H]3[C@H]2C(=O)OC
InChI: InChI=1S/C17H28O3Si/c1-16(2,3)21(5,6)20-13-8-7-11-14(15(18)19-4)12-9-10-17(11,12)13/h9-14H,7-8H2,1-6H3/t11-,12-,13+,14-,17?/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)CN2C=[N+](C3=CC=CC=C32)C)C(C)C
InChI: InChI=1S/C20H29N2O2/c1-14(2)16-10-9-15(3)11-19(16)24-20(23)12-22-13-21(4)17-7-5-6-8-18(17)22/h5-8,13-16,19H,9-12H2,1-4H3/q+1/t15-,16-,19-/m1/s1
SMILES: C[C@H]1[C@H](C2=CC3=C(C4=C2[C@]5(CO4)/C(=C/C(=O)OC)/[C@@H]([C@]1(O[C@]5(C(=O)OC)O)C)OC(=O)C)OCO3)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C31H30O13/c1-15-23(43-27(34)17-9-7-6-8-10-17)18-11-20-24(41-14-40-20)25-22(18)30(13-39-25)19(12-21(33)37-4)26(42-16(2)32)29(15,3)44-31(30,36)28(35)38-5/h6-12,15,23,26,36H,13-14H2,1-5H3/b19-12+/t15-,23+,26-,29-,30-,31-/m0/s1
SMILES: C[C@@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2C[C@@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C
InChI: InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19-,20?,21+,22?,23?,24-,25+,26+,27-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3
InChI: InChI=1S/C20H30N2O5S/c1-15-5-3-4-6-19(15)21-20(23)16(2)27-17-7-9-18(10-8-17)28(24,25)22-11-13-26-14-12-22/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,21,23)/t15-,16-,19-/m1/s1
SMILES: C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=O)C4)(C)C
InChI: InChI=1S/C19H30O/c1-17(2)8-4-9-18(3)15(17)7-10-19-11-13(14(20)12-19)5-6-16(18)19/h13,15-16H,4-12H2,1-3H3/t13-,15-,16+,18-,19+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=CC=C3Cl)C4=C(C(=CC=C4)Cl)Cl
InChI: InChI=1S/C18H14Cl3N/c19-14-8-3-7-13(16(14)21)17-11-5-1-4-10(11)12-6-2-9-15(20)18(12)22-17/h1-4,6-11,17,22H,5H2/t10-,11-,17-/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)NC(=O)C)CSC4=NC=CC=N4
InChI: InChI=1S/C25H27N3O4S/c1-16-22(15-33-25-26-12-3-13-27-25)31-24(20-8-10-21(11-9-20)28-17(2)30)32-23(16)19-6-4-18(14-29)5-7-19/h3-13,16,22-24,29H,14-15H2,1-2H3,(H,28,30)/t16-,22+,23+,24+/m1/s1
SMILES: C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O)/CO
InChI: InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11+,12+,15+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)N2CCN(CC2)C3=CC=CC=C3Cl)C(=O)[O-]
InChI: InChI=1S/C18H23ClN2O3/c19-15-7-3-4-8-16(15)20-9-11-21(12-10-20)17(22)13-5-1-2-6-14(13)18(23)24/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,23,24)/p-1/t13-,14-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34OC(=O)C(F)(F)F
InChI: InChI=1S/C20H21F3O4/c1-18-8-7-15-13(14(18)4-5-16(18)25)3-2-11-10-12(24)6-9-19(11,15)27-17(26)20(21,22)23/h6,9-10,13-15H,2-5,7-8H2,1H3/t13-,14-,15-,18-,19+/m0/s1
SMILES: CC(=O)O[C@@H]1CC2[C@H](CC[C@]2([C@]3(C1[C@]4(CC[C@@H](C(C4CC3)(C)C)O)C)C)C)C5(CC[C@H](O5)C(C)(C)O)C
InChI: InChI=1S/C32H54O5/c1-19(33)36-22-18-21-20(32(9)17-13-25(37-32)28(4,5)35)10-15-30(21,7)31(8)16-11-23-27(2,3)24(34)12-14-29(23,6)26(22)31/h20-26,34-35H,10-18H2,1-9H3/t20-,21?,22+,23?,24-,25-,26?,29-,30+,31+,32?/m0/s1
SMILES: CC(C)(C)[C@H]1CC=C2[C@H](C1)[C@@H]([C@@](C(=N)C2C#N)(C#N)C3=CC=CC=C3)C#N
InChI: InChI=1S/C23H24N4/c1-22(2,3)16-9-10-17-18(11-16)20(13-25)23(14-26,21(27)19(17)12-24)15-7-5-4-6-8-15/h4-8,10,16,18-20,27H,9,11H2,1-3H3/t16-,18-,19?,20-,23+/m0/s1
SMILES: CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2C3=CC=C(C=C3)C)(C)C(=O)OC
InChI: InChI=1S/C18H22N2O4/c1-5-20-15(21)12-13(16(20)22)18(3,17(23)24-4)19-14(12)11-8-6-10(2)7-9-11/h6-9,12-14,19H,5H2,1-4H3/p+1/t12-,13+,14-,18-/m1/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@@H]3CN(C)C
InChI: InChI=1S/C17H27NO2/c1-11-6-5-7-17(2)9-15-12(8-14(11)17)13(10-18(3)4)16(19)20-15/h12-15H,1,5-10H2,2-4H3/t12-,13+,14-,15+,17+/m0/s1
SMILES: COC1=C(C(=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)C7=CC=C(C=C7)Br)Br)O
InChI: InChI=1S/C33H23Br2Cl2FN2O6/c1-46-24-13-15(12-23(35)27(24)41)26-20-10-11-21-25(29(43)39(28(21)42)18-6-2-16(34)3-7-18)22(20)14-32(36)30(44)40(31(45)33(26,32)37)19-8-4-17(38)5-9-19/h2-10,12-13,21-22,25-26,41H,11,14H2,1H3/t21-,22+,25-,26-,32+,33-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)C=C)C6=C(C=CC(=C6)OC)O
InChI: InChI=1S/C32H27NO6/c1-4-17-5-7-18(8-6-17)33-31(37)21-11-10-20-22(28(21)32(33)38)15-24-26(35)13-16(2)30(36)29(24)27(20)23-14-19(39-3)9-12-25(23)34/h4-10,12-14,21-22,27-28,34H,1,11,15H2,2-3H3/t21-,22+,27+,28-/m0/s1
SMILES: CC(C)[C@H]1C[C@H]([C@@]([C@H](C1)O)(C)O)NC(=O)C(Cl)(Cl)Cl
InChI: InChI=1S/C12H20Cl3NO3/c1-6(2)7-4-8(11(3,19)9(17)5-7)16-10(18)12(13,14)15/h6-9,17,19H,4-5H2,1-3H3,(H,16,18)/t7-,8+,9-,11+/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=COC8=C(C7)C=C(C=C8)O)C(=O)N(C5=O)C9=CC=CC(=C9)C(=O)O
InChI: InChI=1S/C43H35N3O8/c1-23-10-12-28(13-11-23)44-46-39(49)34-21-33-31(15-16-32-36(33)40(50)45(38(32)48)29-9-5-6-24(19-29)41(51)52)37(43(34,42(46)53)27-7-3-2-4-8-27)26-18-25-20-30(47)14-17-35(25)54-22-26/h2-15,17,19-20,22,32-34,36-37,44,47H,16,18,21H2,1H3,(H,51,52)/t32-,33+,34-,36-,37-,43+/m0/s1
SMILES: CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)N3C[C@H]([C@H](C3)F)CNC(=O)C)C4CC4
InChI: InChI=1S/C21H24F2N4O4/c1-3-31-21(30)15-9-27(13-4-5-13)19-14(18(15)29)6-16(22)20(25-19)26-8-12(17(23)10-26)7-24-11(2)28/h6,9,12-13,17H,3-5,7-8,10H2,1-2H3,(H,24,28)/t12-,17+/m1/s1
SMILES: CC(C)(C1=CC2=C(O1)C=CN=C2)N3CCN([C@@H](C3)C(=O)NCC4=CC=CC=C4)C[C@H](C[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H]6[C@@H](COC7=CC=CC=C67)O)O
InChI: InChI=1S/C43H49N5O6/c1-43(2,39-23-32-25-44-18-17-37(32)54-39)48-20-19-47(35(27-48)42(52)45-24-30-13-7-4-8-14-30)26-33(49)22-31(21-29-11-5-3-6-12-29)41(51)46-40-34-15-9-10-16-38(34)53-28-36(40)50/h3-18,23,25,31,33,35-36,40,49-50H,19-22,24,26-28H2,1-2H3,(H,45,52)(H,46,51)/t31-,33+,35+,36-,40+/m1/s1
SMILES: CC(=O)OC1=C(C=C(C=C1)C(=O)COC2=C(C=C(C=C2)/C=C/C(=O)OC[C@H]3[C@@H]([C@H]([C@@H](O3)OC)O)O)OC)OC
InChI: InChI=1S/C27H30O12/c1-15(28)38-20-9-7-17(12-22(20)34-3)18(29)13-36-19-8-5-16(11-21(19)33-2)6-10-24(30)37-14-23-25(31)26(32)27(35-4)39-23/h5-12,23,25-27,31-32H,13-14H2,1-4H3/b10-6+/t23-,25-,26+,27+/m0/s1
SMILES: CC1([C@@H]([C@@H](CC1=O)SC2=CC3=CC=CC=C3C=C2)OC(=O)C(C)(C)C)C
InChI: InChI=1S/C22H26O3S/c1-21(2,3)20(24)25-19-17(13-18(23)22(19,4)5)26-16-11-10-14-8-6-7-9-15(14)12-16/h6-12,17,19H,13H2,1-5H3/t17-,19-/m1/s1
SMILES: C[C@]12CC[C@@H]([C@](C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4C[C@](CC5=O)(C)C(=O)O)C)C)C)(C)CO)O
InChI: InChI=1S/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21+,22-,25-,26+,27-,28+,29+,30+/m0/s1