EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4CCC(CC4)C(=O)NC5=CC(=C(C=C5)Cl)Cl
InChI: InChI=1S/C22H24Cl2N2O3/c23-16-8-5-14(10-17(16)24)25-20(27)11-3-6-15(7-4-11)26-21(28)18-12-1-2-13(9-12)19(18)22(26)29/h5,8,10-13,15,18-19H,1-4,6-7,9H2,(H,25,27)/t11?,12-,13+,15?,18-,19+
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@]1(CO)N)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/C19H39N5O11/c20-2-6-11(28)12(29)9(23)17(32-6)34-15-5(21)1-19(24,4-26)16(14(15)31)35-18-13(30)8(22)10(27)7(3-25)33-18/h5-18,25-31H,1-4,20-24H2/t5-,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16+,17+,18+,19-/m0/s1
SMILES: CC#CC(=O)[C@]12[C@]3([C@H](CCC([C@@H]3[C@H]4[C@@H]([C@]1(C)O)OC(=O)O4)(C)C)OC(O2)(C)C)C
InChI: InChI=1S/C22H30O7/c1-8-9-12(23)22-20(6)13(28-19(4,5)29-22)10-11-18(2,3)15(20)14-16(21(22,7)25)27-17(24)26-14/h13-16,25H,10-11H2,1-7H3/t13-,14-,15-,16-,20-,21-,22-/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)CO
InChI: InChI=1S/C34H36O6/c35-21-30-31(36-22-26-13-5-1-6-14-26)32(37-23-27-15-7-2-8-16-27)33(38-24-28-17-9-3-10-18-28)34(40-30)39-25-29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34-/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)C4=CC=CC(=C4)CNC(=O)C(Cl)(Cl)Cl)CN5CCC[C@H]5CN6CCCC6
InChI: InChI=1S/C37H44Cl3N3O4/c1-25-33(23-43-19-5-8-32(43)22-42-17-2-3-18-42)46-35(47-34(25)29-11-9-26(24-44)10-12-29)30-15-13-28(14-16-30)31-7-4-6-27(20-31)21-41-36(45)37(38,39)40/h4,6-7,9-16,20,25,32-35,44H,2-3,5,8,17-19,21-24H2,1H3,(H,41,45)/t25-,32+,33+,34+,35+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)COC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C)C(C)C
InChI: InChI=1S/C25H33NO4/c1-16(2)21-12-11-17(3)13-23(21)30-24(27)15-29-25(28)22-14-18(4)26(19(22)5)20-9-7-6-8-10-20/h6-10,14,16-17,21,23H,11-13,15H2,1-5H3/t17-,21+,23-/m0/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC(=CC=C1)C2=CC=C(C=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CSC5=NC(=C(O5)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C46H45N3O7S/c1-3-53-40(51)27-48-45(52)47-26-32-11-10-16-38(25-32)33-21-23-37(24-22-33)44-54-39(30(2)42(55-44)36-19-17-31(28-50)18-20-36)29-57-46-49-41(34-12-6-4-7-13-34)43(56-46)35-14-8-5-9-15-35/h4-25,30,39,42,44,50H,3,26-29H2,1-2H3,(H2,47,48,52)/t30-,39+,42+,44+/m1/s1
SMILES: CC(C)(C)C(=O)[C@@H]1[C@H](C([C@H]2[NH+]1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC(=CC=C4)F
InChI: InChI=1S/C25H22FN3O/c1-24(2,3)23(30)21-20(17-8-6-9-18(26)13-17)25(14-27,15-28)22-19-10-5-4-7-16(19)11-12-29(21)22/h4-13,20-22H,1-3H3/p+1/t20-,21+,22+/m1/s1
SMILES: CN(CCO)C(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H27N3O6S/c1-27(12-13-29)25(32)33-14-18-15-35-23-19(26)22(30)28(23)20(18)24(31)34-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,19,21,23,29H,12-15,26H2,1H3/t19-,23-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C19H15NO2/c21-18-16-13-5-6-14(9-13)17(16)19(22)20(18)15-8-7-11-3-1-2-4-12(11)10-15/h1-8,10,13-14,16-17H,9H2/t13-,14+,16-,17+
SMILES: C=C1[C@H]([C@@H](NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H15BrN2O2/c1-11-15(17(22)12-6-3-2-4-7-12)16(21-18(23)20-11)13-8-5-9-14(19)10-13/h2-10,15-16H,1H2,(H2,20,21,23)/t15-,16+/m1/s1
SMILES: C[C@H](/C=C/[C@@H](C)C(C)(C(=O)O)[Si](C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@H]4C5)C)OC)C
InChI: InChI=1S/C32H54O3Si/c1-20(10-11-21(2)31(5,28(33)34)36(7,8)9)24-12-13-25-23-18-27(35-6)32-19-22(32)14-17-30(32,4)26(23)15-16-29(24,25)3/h10-11,20-27H,12-19H2,1-9H3,(H,33,34)/b11-10+/t20-,21-,22+,23+,24-,25+,26+,27-,29-,30-,31?,32+/m1/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O
InChI: InChI=1S/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14+,15-,16-,18-,19-,20-,21-/m0/s1
SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N)O
InChI: InChI=1S/C35H49N5O18/c1-14(41)27(34(51)52)40-32(49)22(11-20-7-9-21(46)10-8-20)38-31(48)23(12-25(36)47)39-33(50)26(37)15(2)54-35-30(57-19(6)45)29(56-18(5)44)28(55-17(4)43)24(58-35)13-53-16(3)42/h7-10,14-15,22-24,26-30,35,41,46H,11-13,37H2,1-6H3,(H2,36,47)(H,38,48)(H,39,50)(H,40,49)(H,51,52)/t14-,15-,22+,23+,24-,26+,27+,28-,29+,30-,35-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)N[C@@H](C)CC(=O)NC2=CC=CC=C2OC
InChI: InChI=1S/C19H30N2O2/c1-13-8-7-10-16(15(13)3)20-14(2)12-19(22)21-17-9-5-6-11-18(17)23-4/h5-6,9,11,13-16,20H,7-8,10,12H2,1-4H3,(H,21,22)/t13-,14-,15-,16+/m0/s1
SMILES: CCC(C)CCCCCCCCCCC(=O)OCC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCC(C)CC
InChI: InChI=1S/C45H84O15/c1-5-31(3)23-19-15-11-7-9-13-17-21-25-36(47)55-28-33(58-37(48)26-22-18-14-10-8-12-16-20-24-32(4)6-2)29-56-44-43(54)41(52)39(50)35(60-44)30-57-45-42(53)40(51)38(49)34(27-46)59-45/h31-35,38-46,49-54H,5-30H2,1-4H3/t31?,32?,33?,34-,35-,38-,39-,40+,41+,42-,43-,44-,45-/m1/s1
SMILES: C/C(=N\NC(=O)C1=CC2=C(C=C1)OCO2)/[C@H]3C[C@@H]4CC[C@H]3C4
InChI: InChI=1S/C17H20N2O3/c1-10(14-7-11-2-3-12(14)6-11)18-19-17(20)13-4-5-15-16(8-13)22-9-21-15/h4-5,8,11-12,14H,2-3,6-7,9H2,1H3,(H,19,20)/b18-10+/t11-,12+,14-/m1/s1
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C17H18N2O3/c1-11(15(20)18-12-7-3-2-4-8-12)19-16(21)13-9-5-6-10-14(13)17(19)22/h2-8,11,13-14H,9-10H2,1H3,(H,18,20)/t11-,13+,14+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H](CCC=C)OC)OCC=C)C
InChI: InChI=1S/C16H26O5/c1-6-8-9-11(17-5)12-13(18-10-7-2)14-15(19-12)21-16(3,4)20-14/h6-7,11-15H,1-2,8-10H2,3-5H3/t11-,12+,13-,14+,15+/m0/s1
SMILES: C[C@@H]1CCC=C2[C@@]1([C@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH2+]CCC4=CC(=C(C=C4)O)O)O)C
InChI: InChI=1S/C23H31NO5/c1-13-4-3-5-15-11-19-20(21(27)23(13,15)2)16(22(28)29-19)12-24-9-8-14-6-7-17(25)18(26)10-14/h5-7,10,13,16,19-21,24-27H,3-4,8-9,11-12H2,1-2H3/p+1/t13-,16+,19-,20-,21+,23-/m1/s1
SMILES: C1C[C@H]([C@H](C1)N)C(=O)NC2=CC(=CC3=C2NC4=C3C=CN=C4)Cl
InChI: InChI=1S/C17H17ClN4O/c18-9-6-12-10-4-5-20-8-15(10)21-16(12)14(7-9)22-17(23)11-2-1-3-13(11)19/h4-8,11,13,21H,1-3,19H2,(H,22,23)/t11-,13+/m1/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.O.O.O.OP(=O)(O)O.OP(=O)(O)O
InChI: InChI=1S/2C18H21NO3.2H3O4P.3H2O/c2*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;2*1-5(2,3)4;;;/h2*3-6,11-13,17,20H,7-9H2,1-2H3;2*(H3,1,2,3,4);3*1H2/t2*11-,12+,13-,17-,18-;;;;;/m00...../s1
SMILES: CC1=CC(=CC=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC=CC(=C4C)C
InChI: InChI=1S/C20H22N2O3S/c1-13-6-4-8-16(10-13)21-18-11-26(24,25)12-19(18)22(20(21)23)17-9-5-7-14(2)15(17)3/h4-10,18-19H,11-12H2,1-3H3/t18-,19-/m1/s1
SMILES: CCCCCC(=O)NC1=NC2=C(S1)C[C@H]3[C@]([C@@H]2CC(=O)N[C@H](C)C4=CC=CC=C4)(CC[C@H]([C@@]3(C)CO)O)C
InChI: InChI=1S/C30H43N3O4S/c1-5-6-8-13-25(36)32-28-33-27-21(16-26(37)31-19(2)20-11-9-7-10-12-20)29(3)15-14-24(35)30(4,18-34)23(29)17-22(27)38-28/h7,9-12,19,21,23-24,34-35H,5-6,8,13-18H2,1-4H3,(H,31,37)(H,32,33,36)/t19-,21-,23+,24-,29+,30+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)N(C2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@H]([C@H](O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)O)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C38H29N5O8/c44-30-31(51-38(48)27-19-11-4-12-20-27)28(21-49-37(47)26-17-9-3-10-18-26)50-36(30)42-23-41-29-32(42)39-22-40-33(29)43(34(45)24-13-5-1-6-14-24)35(46)25-15-7-2-8-16-25/h1-20,22-23,28,30-31,36,44H,21H2/t28-,30-,31+,36-/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)N=C[C@@H]2[C@@H](O2)COCC3=CC=C(C=C3)Br
InChI: InChI=1S/C19H20BrNO2/c1-14(16-5-3-2-4-6-16)21-11-18-19(23-18)13-22-12-15-7-9-17(20)10-8-15/h2-11,14,18-19H,12-13H2,1H3/t14-,18+,19-/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=C(C(=CC=C6)Cl)Cl
InChI: InChI=1S/C27H17Cl2NO6/c1-35-14-11-9-13(10-12-14)30-25(33)19-20(26(30)34)27(23(31)15-5-2-3-6-16(15)24(27)32)36-22(19)17-7-4-8-18(28)21(17)29/h2-12,19-20,22H,1H3/t19-,20+,22+/m1/s1
SMILES: CCCCCC#CC1=C(N=NN1[C@@H]2C[C@@H](C[C@H]2O)CO)C(=O)N
InChI: InChI=1S/C16H24N4O3/c1-2-3-4-5-6-7-12-15(16(17)23)18-19-20(12)13-8-11(10-21)9-14(13)22/h11,13-14,21-22H,2-5,8-10H2,1H3,(H2,17,23)/t11-,13+,14+/m0/s1
SMILES: C[C@@H]1[C@H]([C@]2([C@H]3[C@H]4[C@@]1([C@@H]5C=C(C(=O)[C@]5([C@@H]([C@@]6([C@H]4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)/C=C/C8=CC=CC=C8
InChI: InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3/b16-15+/t21-,24-,26+,28-,29+,30-,31-,32+,33-,34+,35-,36?/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@H]2C(=O)O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C15H16N2O5/c18-14(16-10-3-5-11(6-4-10)17(21)22)12-8-1-2-9(7-8)13(12)15(19)20/h3-6,8-9,12-13H,1-2,7H2,(H,16,18)(H,19,20)/t8-,9+,12-,13+/m1/s1
SMILES: CC1(O[C@@H]([C@@H](O1)[C@H](CNCC=C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)CO)C
InChI: InChI=1S/C28H41NO4Si/c1-7-18-29-19-22(26-25(20-30)32-28(5,6)33-26)21-31-34(27(2,3)4,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h7-17,22,25-26,29-30H,1,18-21H2,2-6H3/t22-,25-,26+/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])SC5=NC6=CC=CC=C6S5
InChI: InChI=1S/C29H22N4O7S3/c34-23(15-39-19-6-2-1-3-7-19)31-24-26(35)32-25(28(36)40-14-17-10-12-18(13-11-17)33(37)38)22(16-41-27(24)32)43-29-30-20-8-4-5-9-21(20)42-29/h1-13,24,27H,14-16H2,(H,31,34)/t24-,27-/m1/s1
SMILES: COC1=CC=C(C=C1)O[C@H]2[C@H](N(C2=O)CCC3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C25H22FNO5/c1-29-19-7-9-20(10-8-19)32-24-23(17-4-11-21-22(14-17)31-15-30-21)27(25(24)28)13-12-16-2-5-18(26)6-3-16/h2-11,14,23-24H,12-13,15H2,1H3/t23-,24+/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)NC(=O)[C@H](C)OC(=O)C)CSCCO
InChI: InChI=1S/C26H33NO7S/c1-16-23(15-35-13-12-28)33-26(34-24(16)20-6-4-19(14-29)5-7-20)21-8-10-22(11-9-21)27-25(31)17(2)32-18(3)30/h4-11,16-17,23-24,26,28-29H,12-15H2,1-3H3,(H,27,31)/t16-,17+,23+,24+,26+/m1/s1
SMILES: CCCN(CCC1=CC=CC=C1)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C(F)(F)F
InChI: InChI=1S/C20H24F3N3O5/c1-2-9-26(10-8-12-6-4-3-5-7-12)17(27)16-15(25-19(30)20(21,22)23)13(24)11-14(31-16)18(28)29/h3-7,11,13,15-16H,2,8-10,24H2,1H3,(H,25,30)(H,28,29)/t13-,15+,16+/m0/s1
SMILES: C1CC(C(C1)O)NC2=C3C(=NC(=N2)N4C=C(C=N4)C(=O)N)N(C=N3)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C19H24N8O6/c20-15(32)8-4-22-27(5-8)19-24-16(23-9-2-1-3-10(9)29)12-17(25-19)26(7-21-12)18-14(31)13(30)11(6-28)33-18/h4-5,7,9-11,13-14,18,28-31H,1-3,6H2,(H2,20,32)(H,23,24,25)/t9?,10?,11-,13-,14-,18-/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=CC=CC=C4F
InChI: InChI=1S/C22H21FN2O3S/c23-16-9-3-4-10-17(16)24-20(26)13-28-22(27)15-8-2-1-7-14(15)21-25-18-11-5-6-12-19(18)29-21/h3-6,9-12,14-15H,1-2,7-8,13H2,(H,24,26)/t14-,15-/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C(=CC=C4)F)O)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)NC6=O
InChI: InChI=1S/C26H14Cl2F6N2O5/c27-25-6-10-7(4-5-8-12(10)22(39)35-21(8)38)13(9-2-1-3-11(29)20(9)37)26(25,28)24(41)36(23(25)40)19-17(33)15(31)14(30)16(32)18(19)34/h1-4,8,10,12-13,37H,5-6H2,(H,35,38,39)/t8-,10+,12-,13+,25+,26-/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2C4CCCCO4)[C@@H](C=C5[C@@]3(CC[C@@H](C5)C6CCCCO6)C)O
InChI: InChI=1S/C29H46O3/c1-28-13-11-19(25-7-3-5-15-31-25)17-20(28)18-24(30)27-22-10-9-21(26-8-4-6-16-32-26)29(22,2)14-12-23(27)28/h18-19,21-27,30H,3-17H2,1-2H3/t19-,21+,22?,23?,24+,25?,26?,27?,28-,29+/m0/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)C(C4C(=O)O)C(=O)O)C
InChI: InChI=1S/C25H32O6/c1-13(26)15-4-5-16-22(15,2)8-7-17-23(3)9-6-14(27)12-24(23)10-11-25(16,17)19(21(30)31)18(24)20(28)29/h7,10-11,14-16,18-19,27H,4-6,8-9,12H2,1-3H3,(H,28,29)(H,30,31)/t14-,15+,16+,18?,19?,22+,23+,24-,25-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N
InChI: InChI=1S/C14H17N3O2/c1-10-4-2-3-5-13(10)16-14-7-6-12(17(18)19)8-11(14)9-15/h6-8,10,13,16H,2-5H2,1H3/t10-,13+/m1/s1
SMILES: CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1[C@H]([C@H]([C@H](CCC2=CC=CC=C2)O)O)SC3=CC=CC=C3)O)O
InChI: InChI=1S/C32H44O6S/c1-22(2)38-29(36)18-12-4-3-11-17-25-27(34)21-28(35)30(25)32(39-24-15-9-6-10-16-24)31(37)26(33)20-19-23-13-7-5-8-14-23/h3,5-11,13-16,22,25-28,30-35,37H,4,12,17-21H2,1-2H3/b11-3-/t25-,26-,27-,28+,30+,31-,32+/m0/s1
SMILES: CC1(O[C@@H]2CO[C@H]([C@@H]2O1)/[N+](=C/C3=CC=CC=C3)/[O-])C
InChI: InChI=1S/C14H17NO4/c1-14(2)18-11-9-17-13(12(11)19-14)15(16)8-10-6-4-3-5-7-10/h3-8,11-13H,9H2,1-2H3/b15-8-/t11-,12-,13-/m1/s1
SMILES: CC1([C@H]2[C@@H]1C(=[N+](N=C2C3=CC=CS3)C(=C=[N-])C#N)C4=CC=CS4)C
InChI: InChI=1S/C18H14N4S2/c1-18(2)14-15(18)17(13-6-4-8-24-13)22(11(9-19)10-20)21-16(14)12-5-3-7-23-12/h3-8,14-15H,1-2H3/t14-,15+/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)NC4=O)O
InChI: InChI=1S/C33H27ClN2O6/c1-42-20-10-11-22(26(37)15-20)28-21-12-13-23-27(30(39)35-29(23)38)24(21)16-25-31(40)36(19-9-5-8-18(34)14-19)32(41)33(25,28)17-6-3-2-4-7-17/h2-12,14-15,23-25,27-28,37H,13,16H2,1H3,(H,35,38,39)/t23-,24+,25-,27-,28+,33+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N[C@H](C)C2=CC=CC=C2)C(C)C
InChI: InChI=1S/C19H29NO2/c1-13(2)17-11-10-14(3)12-18(17)22-19(21)20-15(4)16-8-6-5-7-9-16/h5-9,13-15,17-18H,10-12H2,1-4H3,(H,20,21)/t14-,15-,17+,18-/m1/s1
SMILES: CCOC(=O)[C@@]1([C@@H](N(C2=CC=CC=C21)CC3=CC=CC=C3)CC4(OCCO4)C)CC#N
InChI: InChI=1S/C25H28N2O4/c1-3-29-23(28)25(13-14-26)20-11-7-8-12-21(20)27(18-19-9-5-4-6-10-19)22(25)17-24(2)30-15-16-31-24/h4-12,22H,3,13,15-18H2,1-2H3/t22-,25-/m0/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3(CC3)CC4=CC=CC=C4)OC5=NC=CC6=CC=CC=C65)NC(=O)COC
InChI: InChI=1S/C39H47N5O8S/c1-6-27-22-39(27,36(48)43-53(49,50)38(17-18-38)21-25-12-8-7-9-13-25)42-33(46)30-20-28(52-34-29-15-11-10-14-26(29)16-19-40-34)23-44(30)35(47)32(37(2,3)4)41-31(45)24-51-5/h6-16,19,27-28,30,32H,1,17-18,20-24H2,2-5H3,(H,41,45)(H,42,46)(H,43,48)/t27-,28-,30+,32-,39-/m1/s1
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O
InChI: InChI=1S/C16H16N2O3S/c1-9-6-7-12-13(8-9)22-16(17-12)18-14(19)10-4-2-3-5-11(10)15(20)21/h2-3,6-8,10-11H,4-5H2,1H3,(H,20,21)(H,17,18,19)/t10-,11-/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2(CS[C@@H]1[C@@H]2OC(=O)C)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H21NO5S/c1-11(20)23-14-8-9-18(10-25-15(14)16(18)24-12(2)21)19-17(22)13-6-4-3-5-7-13/h3-7,14-16H,8-10H2,1-2H3,(H,19,22)/t14-,15+,16+,18-/m1/s1
SMILES: CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCC)OCCCCCCCCCCCC)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C48H88O9/c1-4-7-10-13-16-19-22-24-27-30-33-53-41-36-40(39-56-48-46(52)45(51)44(50)43(38-49)57-48)37-42(54-34-31-28-25-23-20-17-14-11-8-5-2)47(41)55-35-32-29-26-21-18-15-12-9-6-3/h36-37,43-46,48-52H,4-35,38-39H2,1-3H3/t43-,44+,45+,46-,48-/m1/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(=O)C)O)NCC6=CC=NC=C6)O
InChI: InChI=1S/C33H34N2O10/c1-15-28(37)20(35-14-17-7-9-34-10-8-17)11-23(44-15)45-22-13-33(42,16(2)36)12-19-25(22)32(41)27-26(30(19)39)29(38)18-5-4-6-21(43-3)24(18)31(27)40/h4-10,15,20,22-23,28,35,37,39,41-42H,11-14H2,1-3H3/t15-,20-,22-,23-,28+,33-/m0/s1
SMILES: CCOC1([C@@]2([C@H]([C@@]2(C(=N1)N)C#N)C3=C(C(=CC=C3)Cl)Cl)C#N)OCC
InChI: InChI=1S/C17H16Cl2N4O2/c1-3-24-17(25-4-2)16(9-21)13(15(16,8-20)14(22)23-17)10-6-5-7-11(18)12(10)19/h5-7,13H,3-4H2,1-2H3,(H2,22,23)/t13-,15+,16+/m0/s1
SMILES: C1=CC(=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br
InChI: InChI=1S/C12H15BrO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC=C(O2)Br
InChI: InChI=1S/C17H22BrNO4/c1-11-5-3-4-6-14(11)19-17(21)12(2)22-16(20)10-8-13-7-9-15(18)23-13/h7-12,14H,3-6H2,1-2H3,(H,19,21)/b10-8+/t11-,12+,14+/m0/s1
SMILES: CC(C)C1=NN=C(S1)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C16H22N4O3S/c1-9(2)13-18-19-16(24-13)17-12(21)7-8-20-14(22)10-5-3-4-6-11(10)15(20)23/h9-11H,3-8H2,1-2H3,(H,17,19,21)/t10-,11-/m0/s1
SMILES: C[C@]12CCCC[C@]13O[C@H]([C@H](C2=O)O3)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C18H20O3/c1-17-11-5-6-12-18(17)20-14(15(21-18)16(17)19)10-9-13-7-3-2-4-8-13/h2-4,7-10,14-15H,5-6,11-12H2,1H3/b10-9+/t14-,15+,17+,18+/m0/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OCC4=CC(=CC=C4)CBr)OCC5=CC=CC=C5
InChI: InChI=1S/C30H33BrO5S/c1-2-37-30-28(33-18-21-10-5-3-6-11-21)27(32-19-23-13-9-12-22(16-23)17-31)26-25(35-30)20-34-29(36-26)24-14-7-4-8-15-24/h3-16,25-30H,2,17-20H2,1H3/t25-,26-,27+,28-,29-,30+/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)N2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C21H31N3O2/c1-16-7-9-19(10-8-16)22-20(25)14-23(2)15-21(26)24-12-11-17-5-3-4-6-18(17)13-24/h7-10,17-18H,3-6,11-15H2,1-2H3,(H,22,25)/t17-,18+/m0/s1
SMILES: C1CC(=O)[C@H]2[C@@H](C3=C(NC2=C1)NN(C3=O)C4=CC=CC=C4)C5=C(C=CC=C5Cl)Cl
InChI: InChI=1S/C22H17Cl2N3O2/c23-13-8-4-9-14(24)17(13)19-18-15(10-5-11-16(18)28)25-21-20(19)22(29)27(26-21)12-6-2-1-3-7-12/h1-4,6-10,18-19,25-26H,5,11H2/t18-,19-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CN=CC=C5
InChI: InChI=1S/C26H18N4O/c27-16-26(17-28)22-13-12-18-7-4-5-11-21(18)30(22)24(23(26)20-10-6-14-29-15-20)25(31)19-8-2-1-3-9-19/h1-15,22-24H/t22-,23+,24-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]
InChI: InChI=1S/C21H29N3O5/c1-14-7-3-4-8-17(14)22-20(25)15(2)29-21(26)16-9-10-18(19(13-16)24(27)28)23-11-5-6-12-23/h9-10,13-15,17H,3-8,11-12H2,1-2H3,(H,22,25)/t14-,15-,17+/m1/s1
SMILES: CCOC(=O)C1=C(SC=C1)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C16H17NO5S/c1-2-22-16(21)10-5-6-23-14(10)17-13(18)11-8-3-4-9(7-8)12(11)15(19)20/h3-6,8-9,11-12H,2,7H2,1H3,(H,17,18)(H,19,20)/t8-,9+,11-,12+/m1/s1
SMILES: CC(=O)C1(CCN(CC1)C[C@@H]2C[C@]2(C3=CC=C(C=C3)Cl)C(=O)N(C)CC4=CC=C(C=C4)F)C5=CC=CC=C5
InChI: InChI=1S/C32H34ClFN2O2/c1-23(37)31(25-6-4-3-5-7-25)16-18-36(19-17-31)22-27-20-32(27,26-10-12-28(33)13-11-26)30(38)35(2)21-24-8-14-29(34)15-9-24/h3-15,27H,16-22H2,1-2H3/t27-,32+/m0/s1
SMILES: C[C@]12[C@@H]([C@]3(C(=O)O[C@@]1(C3(C)C)CCC=C2I)OC)SC4=CC=CC=C4
InChI: InChI=1S/C20H23IO3S/c1-17(2)19-12-8-11-14(21)18(19,3)15(20(17,23-4)16(22)24-19)25-13-9-6-5-7-10-13/h5-7,9-11,15H,8,12H2,1-4H3/t15-,18-,19+,20+/m0/s1
SMILES: COC1=CC=CC(=C1OC)[C@@H]2[C@@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)[N+](=O)[O-]
InChI: InChI=1S/C20H20N2O4/c1-25-18-8-4-7-15(20(18)26-2)19-14-6-3-5-13(14)16-11-12(22(23)24)9-10-17(16)21-19/h3-5,7-11,13-14,19,21H,6H2,1-2H3/t13-,14-,19+/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=CC(=C6)Br)O)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl)(O)O
InChI: InChI=1S/C38H27BBrCl2F3N4O7/c40-20-6-11-29(50)26(14-20)31-23-9-10-24-30(35(53)48(33(24)51)22-3-1-2-19(13-22)39(55)56)25(23)15-27-34(52)49(36(54)37(27,31)17-4-7-21(41)8-5-17)47-32-28(42)12-18(16-46-32)38(43,44)45/h1-9,11-14,16,24-25,27,30-31,50,55-56H,10,15H2,(H,46,47)/t24-,25+,27-,30-,31+,37+/m0/s1
SMILES: CC1=CC(=CC=C1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O
InChI: InChI=1S/C14H19NO6/c1-7-3-2-4-8(5-7)13(19)15-10-12(18)11(17)9(6-16)21-14(10)20/h2-5,9-12,14,16-18,20H,6H2,1H3,(H,15,19)/t9-,10-,11-,12-,14+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](C=C[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C21H33N5O3Si/c1-20(2,3)30(6,7)27-10-13-8-9-14(17-16(13)28-21(4,5)29-17)26-12-25-15-18(22)23-11-24-19(15)26/h8-9,11-14,16-17H,10H2,1-7H3,(H2,22,23,24)/t13-,14-,16-,17+/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4
InChI: InChI=1S/C21H24N4O4/c1-15-5-2-3-10-21(15)19(27)24(20(28)23-21)13-18(26)29-14-16-6-8-17(9-7-16)25-12-4-11-22-25/h4,6-9,11-12,15H,2-3,5,10,13-14H2,1H3,(H,23,28)/t15-,21+/m1/s1
SMILES: C[C@@H]1CC2([C@]3([C@@H](O1)O[C@@H]4C[C@@H]5C[C@H]6[C@]7(O6)[C@@H]([C@]5(C[C@H]4O3)C)[C@@H](C(=O)[C@]8([C@@]7(CC[C@@H]8C9=CC(=O)OC9)O)C)O)O)N=CCS2
InChI: InChI=1S/C31H39NO10S/c1-14-11-29(32-6-7-43-29)31(37)25(39-14)40-18-9-16-10-20-30(42-20)23(26(16,2)12-19(18)41-31)22(34)24(35)27(3)17(4-5-28(27,30)36)15-8-21(33)38-13-15/h6,8,14,16-20,22-23,25,34,36-37H,4-5,7,9-13H2,1-3H3/t14-,16-,17-,18-,19-,20+,22+,23-,25+,26+,27+,28-,29?,30+,31-/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Br
InChI: InChI=1S/C24H19BrN2O3/c1-15-7-5-12-19(13-15)26-23(28)20-21(16-8-6-9-17(25)14-16)27(30-22(20)24(26)29)18-10-3-2-4-11-18/h2-14,20-22H,1H3/t20-,21-,22+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)CN5CCC[C@H]5COC
InChI: InChI=1S/C31H38N2O6S/c1-22-29(19-33-17-7-10-27(33)21-37-2)38-31(39-30(22)24-15-13-23(20-34)14-16-24)25-8-6-9-26(18-25)32-40(35,36)28-11-4-3-5-12-28/h3-6,8-9,11-16,18,22,27,29-32,34H,7,10,17,19-21H2,1-2H3/t22-,27+,29+,30+,31+/m1/s1
SMILES: CC(C)N1C(=O)N(CC12CC3CCC(C2)N3C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)C(=O)C6CCCC6)C7CCOCC7
InChI: InChI=1S/C34H50N4O3/c1-24(2)38-33(40)37(28-14-16-41-17-15-28)23-34(38)18-29-12-13-30(19-34)36(29)21-27-20-35(32(39)26-10-6-7-11-26)22-31(27)25-8-4-3-5-9-25/h3-5,8-9,24,26-31H,6-7,10-23H2,1-2H3/t27-,29?,30?,31-,34?/m1/s1
SMILES: C1=CC(=CC=C1CNC(=O)C2=CN(N=C2)C3=NC(=C4C(=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N)Cl
InChI: InChI=1S/C21H21ClN8O5/c22-12-3-1-10(2-4-12)5-24-19(34)11-6-26-30(7-11)21-27-17(23)14-18(28-21)29(9-25-14)20-16(33)15(32)13(8-31)35-20/h1-4,6-7,9,13,15-16,20,31-33H,5,8H2,(H,24,34)(H2,23,27,28)/t13-,15-,16-,20-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C18H24N2O3/c1-12-5-3-4-6-15(12)19-16-11-17(21)20(18(16)22)13-7-9-14(23-2)10-8-13/h7-10,12,15-16,19H,3-6,11H2,1-2H3/t12-,15-,16-/m1/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)C)O)C)C(=O)N(C5=O)CCCC(=O)O
InChI: InChI=1S/C39H39N3O7/c1-21-11-13-26(14-12-21)40-42-36(47)30-20-29-27(15-16-28-32(29)37(48)41(35(28)46)17-7-10-31(43)44)33(24-18-22(2)34(45)23(3)19-24)39(30,38(42)49)25-8-5-4-6-9-25/h4-6,8-9,11-15,18-19,28-30,32-33,40,45H,7,10,16-17,20H2,1-3H3,(H,43,44)/t28-,29+,30-,32-,33-,39+/m0/s1
SMILES: CN1[C@H]2C[C@H]([C@@H]([C@H]1C[C@@H]2O)C(=O)OC)C3=CC=C(C=C3)F
InChI: InChI=1S/C16H20FNO3/c1-18-12-7-11(9-3-5-10(17)6-4-9)15(16(20)21-2)13(18)8-14(12)19/h3-6,11-15,19H,7-8H2,1-2H3/t11-,12-,13+,14-,15-/m0/s1
SMILES: CCCN(C[C@@]1(CC[C@@H]2[C@@]1(CCC=C(CC[C@@H](CC3=CC(=C2C=C3)C(=O)C4=CC=C(O4)C5=C(C=CC(=C5)C(F)(F)F)Cl)O)C)C)O)S(=O)(=O)C
InChI: InChI=1S/C38H45ClF3NO6S/c1-5-19-43(50(4,47)48)23-37(46)18-16-31-28-12-9-25(20-27(44)11-8-24(2)7-6-17-36(31,37)3)21-29(28)35(45)34-15-14-33(49-34)30-22-26(38(40,41)42)10-13-32(30)39/h7,9-10,12-15,21-22,27,31,44,46H,5-6,8,11,16-20,23H2,1-4H3/t27-,31-,36-,37+/m0/s1
SMILES: CCOC1=NC(=O)N(C=C1)[C@H]2C=C[C@H]([C@@H]2CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C
InChI: InChI=1S/C45H54N2O4Si2/c1-8-49-42-31-32-47(43(48)46-42)41-30-29-35(33-50-52(44(2,3)4,36-21-13-9-14-22-36)37-23-15-10-16-24-37)40(41)34-51-53(45(5,6)7,38-25-17-11-18-26-38)39-27-19-12-20-28-39/h9-32,35,40-41H,8,33-34H2,1-7H3/t35-,40-,41-/m0/s1
SMILES: C1[C@@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@H]([C@H]([C@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O)O)C5=CC=C(C=C5)O
InChI: InChI=1S/C30H28O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-12,22,24,27-33,36-38H,13-14H2/b10-3+/t22-,24-,27+,28+,29+,30-/m1/s1
SMILES: C1CSCCN1[C@@H]2CO[C@@H]([C@@H]3[C@H]2O3)OCC4=CC=CC=C4
InChI: InChI=1S/C16H21NO3S/c1-2-4-12(5-3-1)10-18-16-15-14(20-15)13(11-19-16)17-6-8-21-9-7-17/h1-5,13-16H,6-11H2/t13-,14+,15+,16+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O[C@H]1[C@@H]([C@H](CO)O)OCC2=CC=CC=C2)CI
InChI: InChI=1S/C21H35IO5Si/c1-21(2,3)28(4,5)27-18-11-16(12-22)26-20(18)19(17(24)13-23)25-14-15-9-7-6-8-10-15/h6-10,16-20,23-24H,11-14H2,1-5H3/t16-,17-,18-,19+,20+/m0/s1
SMILES: CC1=C([C@]2(CC[C@H]3[C@@H]([C@H]2C1)CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C)C(=O)C
InChI: InChI=1S/C24H34O3/c1-14-12-21-19-7-6-17-13-18(27-16(3)26)8-10-23(17,4)20(19)9-11-24(21,5)22(14)15(2)25/h6,18-21H,7-13H2,1-5H3/t18-,19+,20+,21-,23+,24+/m1/s1