EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@H]([C@@]([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)O)O)C)COC(=O)C
InChI: InChI=1S/C30H48O5/c1-18(31)20-9-14-30(17-35-19(2)32)16-15-27(4)21(25(20)30)7-8-22-26(3)12-11-24(33)29(6,34)23(26)10-13-28(22,27)5/h20-25,33-34H,7-17H2,1-6H3/t20-,21+,22+,23+,24+,25+,26+,27+,28+,29-,30+/m0/s1
SMILES: CCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI: InChI=1S/C19H20N2O5/c1-2-11-3-5-12(6-4-11)15-7-13-9-21(19(24)20-18(13)26-15)17-8-14(23)16(10-22)25-17/h3-7,9,14,16-17,22-23H,2,8,10H2,1H3/t14-,16+,17+/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C#CC#CC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O
InChI: InChI=1S/C24H22N8O8/c33-5-13-17(35)19(37)23(39-13)31-9-29-15-11(25-7-27-21(15)31)3-1-2-4-12-16-22(28-8-26-12)32(10-30-16)24-20(38)18(36)14(6-34)40-24/h7-10,13-14,17-20,23-24,33-38H,5-6H2/t13-,14-,17-,18-,19-,20-,23-,24-/m1/s1
SMILES: CC(C1=C2[C@H](CCN3[C@@H]2[C@@H](C1=O)OC3=O)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O
InChI: InChI=1S/C27H31NO5Si/c1-17(29)21-22-20(15-16-28-23(22)25(24(21)30)32-26(28)31)33-34(27(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20,23,25,29H,15-16H2,1-4H3/t17?,20-,23-,25-/m0/s1
SMILES: C1[C@@H]2C[C@H]([C@H]1C=C2)C(=O)OCC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C16H17NO3/c18-15(17-13-4-2-1-3-5-13)10-20-16(19)14-9-11-6-7-12(14)8-11/h1-7,11-12,14H,8-10H2,(H,17,18)/t11-,12+,14-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC(=C4N5N=CN=N5)C=O)C)C
InChI: InChI=1S/C23H30N4O3/c1-14(29)30-17-6-8-22(2)16(11-17)4-5-18-19(22)7-9-23(3)20(18)10-15(12-28)21(23)27-25-13-24-26-27/h4,12-13,17-20H,5-11H2,1-3H3/t17-,18+,19-,20-,22-,23-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Br)O)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C38H27BrClFN4O7/c39-20-3-16-31(46)29(17-20)33-26-14-15-27-32(36(49)43(34(27)47)24-10-12-25(13-11-24)45(51)52)28(26)18-30-35(48)44(42-23-8-6-22(41)7-9-23)37(50)38(30,33)19-1-4-21(40)5-2-19/h1-14,16-17,27-28,30,32-33,42,46H,15,18H2/t27-,28+,30-,32-,33+,38+/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@@H]3[C@@H]([C@@H]2O1)OC(O3)(C)C)CNC(=O)C4=CC=C(O4)[N+](=O)[O-])C
InChI: InChI=1S/C17H22N2O9/c1-16(2)25-11-9(7-18-14(20)8-5-6-10(23-8)19(21)22)24-15-13(12(11)26-16)27-17(3,4)28-15/h5-6,9,11-13,15H,7H2,1-4H3,(H,18,20)/t9-,11+,12-,13-,15+/m1/s1
SMILES: [Li+].C[S+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[N+](=O)([O-])[O-]
InChI: InChI=1S/C15H22N6O5S.Li.NO3/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;;2-1(3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);;/q;+1;-1/t7-,8+,10+,11+,14+,27?;;/m0../s1
SMILES: CCCCCCC(=O)OC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O)OC
InChI: InChI=1S/C28H32O8/c1-4-5-6-7-8-24(29)36-27-22(31-2)11-17(12-23(27)32-3)25-19-13-21-20(34-15-35-21)10-16(19)9-18-14-33-28(30)26(18)25/h10-13,18,25-26H,4-9,14-15H2,1-3H3/t18-,25+,26-/m0/s1
SMILES: COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](C[C@@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)(C(=O)CO)O)C(=C3C2=O)O)O
InChI: InChI=1S/C27H26O15/c1-40-10-4-2-3-8-13(10)19(32)16-15(17(8)30)18(31)9-5-27(39,12(29)7-28)6-11(14(9)20(16)33)41-26-23(36)21(34)22(35)24(42-26)25(37)38/h2-4,11,21-24,26,28,31,33-36,39H,5-7H2,1H3,(H,37,38)/t11-,21-,22-,23+,24-,26-,27-/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)[N+](=O)[O-]
InChI: InChI=1S/C27H20N2O6/c1-2-35-26(32)15-11-13-16(14-12-15)28-24(30)22-21-17-7-3-5-9-19(17)27(29(33)34,23(22)25(28)31)20-10-6-4-8-18(20)21/h3-14,21-23H,2H2,1H3/t21?,22-,23-,27?/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C(=CC=C5)OC)O)C(=O)N(C4=O)C(=O)N)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C29H25ClFN3O7/c1-29-17(25(37)33(27(29)39)12-6-9-19(31)18(30)10-12)11-16-13(22(29)15-4-3-5-20(41-2)23(15)35)7-8-14-21(16)26(38)34(24(14)36)28(32)40/h3-7,9-10,14,16-17,21-22,35H,8,11H2,1-2H3,(H2,32,40)/t14-,16+,17-,21-,22+,29+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1C[C@@H]3C4(C2[C@@H](C(=O)[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)O3)O
InChI: InChI=1S/C23H30O7/c1-20-5-3-13(24)8-12(20)9-15-23(30-15)18(20)17(26)19(27)21(2)14(4-6-22(21,23)28)11-7-16(25)29-10-11/h7,12-15,17-18,24,26,28H,3-6,8-10H2,1-2H3/t12-,13-,14+,15+,17-,18?,20-,21-,22+,23?/m0/s1
SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)OC
InChI: InChI=1S/C20H24O9/c1-8-4-10-5-11(27-3)6-12(15(10)17(24)14(8)9(2)22)28-20-19(26)18(25)16(23)13(7-21)29-20/h4-6,13,16,18-21,23-26H,7H2,1-3H3/t13-,16-,18-,19-,20-/m1/s1
SMILES: CCC[C@H](C)[C@H]1[C@@H](O1)[C@@H]([C@@H](C)CC(=C)CC=C)OC(=O)/C=C(\C)/I
InChI: InChI=1S/C20H31IO3/c1-7-9-13(3)11-15(5)19(23-17(22)12-16(6)21)20-18(24-20)14(4)10-8-2/h7,12,14-15,18-20H,1,3,8-11H2,2,4-6H3/b16-12+/t14-,15-,18-,19+,20+/m0/s1
SMILES: CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)CC(C)C
InChI: InChI=1S/C27H38N2O9/c1-7-8-10-19-23(38-21(31)13-15(2)3)17(5)37-27(34)22(16(4)36-26(19)33)29-25(32)18-11-9-12-20(28-14-30)24(18)35-6/h9,11-12,14-17,19,22-23H,7-8,10,13H2,1-6H3,(H,28,30)(H,29,32)/t16-,17+,19-,22+,23+/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@@H](C(OCO3)O[N+](=O)[O-])O[C@@H]2O1)C
InChI: InChI=1S/C9H13NO8/c1-9(2)16-6-4-5(15-8(6)17-9)7(14-3-13-4)18-10(11)12/h4-8H,3H2,1-2H3/t4-,5-,6+,7?,8+/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Br)C
InChI: InChI=1S/C25H21BrN2O3/c1-15-11-12-20(16(2)13-15)27-24(29)21-22(17-7-6-8-18(26)14-17)28(31-23(21)25(27)30)19-9-4-3-5-10-19/h3-14,21-23H,1-2H3/t21-,22-,23+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@H]2COC(=S)O2)O)(C(=O)OC)OC)O
InChI: InChI=1S/C14H21NO9S/c1-6(16)15-9-7(17)4-14(21-3,12(19)20-2)24-11(9)10(18)8-5-22-13(25)23-8/h7-11,17-18H,4-5H2,1-3H3,(H,15,16)/t7-,8+,9+,10+,11+,14-/m0/s1
SMILES: C1CC[C@@H]2C[NH+](CC[C@H]2C1)CC(=O)NC3=C(C=C(C=N3)Cl)Cl
InChI: InChI=1S/C16H21Cl2N3O/c17-13-7-14(18)16(19-8-13)20-15(22)10-21-6-5-11-3-1-2-4-12(11)9-21/h7-8,11-12H,1-6,9-10H2,(H,19,20,22)/p+1/t11-,12-/m1/s1
SMILES: CC1(COC(N1C(=O)OC[C@H]2CCCC[C@H]2[C@H](C(=O)OC)OC(=O)N3C(COC3(C)C)(C)C)(C)C)C
InChI: InChI=1S/C26H44N2O8/c1-23(2)15-34-25(5,6)27(23)21(30)33-14-17-12-10-11-13-18(17)19(20(29)32-9)36-22(31)28-24(3,4)16-35-26(28,7)8/h17-19H,10-16H2,1-9H3/t17-,18-,19-/m1/s1
SMILES: C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C21H27NO5S/c1-11(2)27-21(26)17-15-9-8-12(3)10-16(15)28-19(17)22-18(23)13-6-4-5-7-14(13)20(24)25/h4-5,11-14H,6-10H2,1-3H3,(H,22,23)(H,24,25)/p-1/t12-,13+,14-/m0/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3CN4CCC(=CC4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C26H32ClNO2/c1-17-4-3-11-26(2)15-24-21(14-23(17)26)22(25(29)30-24)16-28-12-9-19(10-13-28)18-5-7-20(27)8-6-18/h5-9,21-24H,1,3-4,10-16H2,2H3/t21-,22+,23-,24-,26-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H]3[C@H]([C@H](C(=O)O3)OC)OC(O2)(C)C)C
InChI: InChI=1S/C14H22O7/c1-13(2)17-6-7(19-13)8-9-10(21-14(3,4)20-8)11(16-5)12(15)18-9/h7-11H,6H2,1-5H3/t7-,8-,9-,10-,11-/m1/s1
SMILES: COC1=CC=CC(=C1)N2C(=S)N(N=N2)[C@@H]3CC(=O)[C@H]4OC[C@@H]3O4
InChI: InChI=1S/C14H14N4O4S/c1-20-9-4-2-3-8(5-9)17-14(23)18(16-15-17)10-6-11(19)13-21-7-12(10)22-13/h2-5,10,12-13H,6-7H2,1H3/t10-,12+,13+/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)C(=NN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C19H19ClN2/c20-15-10-12-16(13-11-15)22-18-9-5-4-8-17(18)19(21-22)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18H,4-5,8-9H2/t17-,18+/m0/s1
SMILES: COC(=O)C1(CCCC1)NP(=O)(OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)/C=C/Br)O)OC4=CC=C(C=C4)F
InChI: InChI=1S/C24H28BrFN3O9P/c1-35-22(32)24(9-2-3-10-24)28-39(34,38-17-6-4-16(26)5-7-17)36-14-19-18(30)12-20(37-19)29-13-15(8-11-25)21(31)27-23(29)33/h4-8,11,13,18-20,30H,2-3,9-10,12,14H2,1H3,(H,28,34)(H,27,31,33)/b11-8+/t18-,19+,20+,39?/m0/s1
SMILES: CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)C(=O)CO
InChI: InChI=1S/C27H37ClO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C
InChI: InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h11,20-24,26-33,36-39H,7-10,12-19H2,1-6H3/t21-,22-,23+,24+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)C(=O)C3=NC4=CC=CC=C4C=C3
InChI: InChI=1S/C19H22N2O/c22-19(18-10-9-15-6-3-4-8-17(15)20-18)21-12-11-14-5-1-2-7-16(14)13-21/h3-4,6,8-10,14,16H,1-2,5,7,11-13H2/t14-,16+/m0/s1
SMILES: C/C=C/[C@H]1[C@H](N(C(=O)O1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H19NO2/c1-2-9-17-18(16-12-7-4-8-13-16)20(19(21)22-17)14-15-10-5-3-6-11-15/h2-13,17-18H,14H2,1H3/b9-2+/t17-,18+/m0/s1
SMILES: C[C@](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=C(C=C2)O)O)O)O)([C@@H](CO)O)O
InChI: InChI=1S/C18H26O11/c1-18(26,12(21)6-19)8-28-17-15(24)14(23)13(22)11(29-17)7-27-16(25)9-2-4-10(20)5-3-9/h2-5,11-15,17,19-24,26H,6-8H2,1H3/t11-,12-,13-,14+,15-,17-,18+/m1/s1
SMILES: CCOC(=O)C1=CC=CC=C1N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C31H25NO4/c1-2-36-31(35)21-15-9-10-16-24(21)32-29(33)27-22-17-18-23(28(27)30(32)34)26(22)25(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-18,22-23,27-28H,2H2,1H3/t22-,23+,27-,28+
SMILES: CCN1C=C(C=CC1=O)C2=N[C@H]([C@@](N2)(C3=CC=C(C=C3)Cl)C4=CC(=NC=C4)F)C
InChI: InChI=1S/C22H20ClFN4O/c1-3-28-13-15(4-9-20(28)29)21-26-14(2)22(27-21,16-5-7-18(23)8-6-16)17-10-11-25-19(24)12-17/h4-14H,3H2,1-2H3,(H,26,27)/t14-,22+/m0/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)C=O
InChI: InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,13,15-16,18-21,23-24,31H,5-6,9-12H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C23H29NO6/c1-16(26)24-20-22(29-15-18-11-7-4-8-12-18)21(19(13-25)30-23(20)27-2)28-14-17-9-5-3-6-10-17/h3-12,19-23,25H,13-15H2,1-2H3,(H,24,26)/t19-,20-,21-,22-,23+/m1/s1
SMILES: CC[C@H](C)[C@@H](C(=O)N1CC[C@@H]([C@@H]1C#N)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI: InChI=1S/C26H29N3O4/c1-3-16(2)24(25(31)29-13-12-23(30)22(29)14-27)28-26(32)33-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21-24,30H,3,12-13,15H2,1-2H3,(H,28,32)/t16-,22-,23-,24-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)C)O
InChI: InChI=1S/C18H25NO4/c1-11-7-8-16(20)14(9-11)18(22)23-10-17(21)19-15-6-4-5-12(2)13(15)3/h7-9,12-13,15,20H,4-6,10H2,1-3H3,(H,19,21)/t12-,13+,15+/m0/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=N)C(Cl)(Cl)Cl)OS(=O)(=O)C(F)(F)F)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C25H25Cl3F3NO8S2/c1-2-41-22-20(39-21(33)16-11-7-4-8-12-16)19(36-13-15-9-5-3-6-10-15)18(40-42(34,35)25(29,30)31)17(38-22)14-37-23(32)24(26,27)28/h3-12,17-20,22,32H,2,13-14H2,1H3/t17-,18-,19+,20-,22+/m1/s1
SMILES: C[C@H]\1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C/C1=N\NC(=O)C4=CC=CC=C4O
InChI: InChI=1S/C19H24N2O2/c1-11-8-15-12-6-7-13(9-12)16(15)10-17(11)20-21-19(23)14-4-2-3-5-18(14)22/h2-5,11-13,15-16,22H,6-10H2,1H3,(H,21,23)/b20-17+/t11-,12+,13-,15+,16-/m0/s1
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC=CC=C5C=COCCO)OC(O4)(C6CC6)C7CC7)O
InChI: InChI=1S/C33H43N3O11/c1-18(39)24(29(40)34-11-12-37)35-31(42)32-16-23-25-26(46-33(45-25,21-6-7-21)22-8-9-22)28(32)47-36(27(32)30(41)44-23)17-20-5-3-2-4-19(20)10-14-43-15-13-38/h2-5,10,14,18,21-28,37-39H,6-9,11-13,15-17H2,1H3,(H,34,40)(H,35,42)/t18-,23+,24+,25-,26-,27-,28+,32-/m0/s1
SMILES: CC1=CC(=O)N2[C@H]3[C@H]4[C@@H]([C@H](O3)CN5C2=C1N=N5)OC(O4)(C)C
InChI: InChI=1S/C14H16N4O4/c1-6-4-8(19)18-12-9(6)15-16-17(12)5-7-10-11(13(18)20-7)22-14(2,3)21-10/h4,7,10-11,13H,5H2,1-3H3/t7-,10-,11-,13-/m1/s1
SMILES: C/C=C/[C@]12CC[C@@H](CC1=CCC3C2CC[C@]4(C3CC[C@@H]4O)C)O
InChI: InChI=1S/C21H32O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h3-4,10,15-19,22-23H,5-9,11-13H2,1-2H3/b10-3+/t15-,16?,17?,18?,19-,20-,21-/m0/s1
SMILES: C[C@@H]1C[C@H]1C2=CC=C(O2)/C=N\NC3=CC=C(C=C3)C(=O)O
InChI: InChI=1S/C16H16N2O3/c1-10-8-14(10)15-7-6-13(21-15)9-17-18-12-4-2-11(3-5-12)16(19)20/h2-7,9-10,14,18H,8H2,1H3,(H,19,20)/b17-9-/t10-,14-/m1/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)Cl
InChI: InChI=1S/C19H19ClN2O5/c1-11-6-7-12(8-15(11)20)21-16(23)10-27-17(24)9-22-18(25)13-4-2-3-5-14(13)19(22)26/h2-3,6-8,13-14H,4-5,9-10H2,1H3,(H,21,23)/t13-,14-/m1/s1
SMILES: CC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(C)O
InChI: InChI=1S/C19H30O11/c1-9(10(2)20)7-26-19-18(29-14(6)24)17(28-13(5)23)16(27-12(4)22)15(30-19)8-25-11(3)21/h9-10,15-20H,7-8H2,1-6H3/t9?,10?,15-,16-,17+,18-,19-/m1/s1
SMILES: C1C[C@@H]([C@H]([C@@H](C1)O)[NH3+])[NH3+].[Cl-].[Cl-]
InChI: InChI=1S/C6H14N2O.2ClH/c7-4-2-1-3-5(9)6(4)8;;/h4-6,9H,1-3,7-8H2;2*1H/t4-,5+,6+;;/m0../s1
SMILES: CCOC(=O)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)F)N=O
InChI: InChI=1S/C14H11FN4O5/c1-2-24-14(22)10-9-11(19(16-10)17-23)13(21)18(12(9)20)8-5-3-7(15)4-6-8/h3-6,9,11H,2H2,1H3/t9-,11+/m1/s1
SMILES: CC(=O)[C@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C22H15Cl2N3O/c1-13(28)21-20(15-6-8-16(23)17(24)10-15)22(11-25,12-26)19-9-7-14-4-2-3-5-18(14)27(19)21/h2-10,19-21H,1H3/t19-,20-,21+/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)C4=CC=CC(=C4)CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CN7[C@@H]8CCCC[C@@H]8CC[C@@H]7C(=O)NC(C)(C)C
InChI: InChI=1S/C52H62N4O8/c1-33-45(30-55-43-19-9-8-15-37(43)24-25-44(55)48(59)54-52(2,3)4)63-50(64-47(33)38-22-20-34(31-57)21-23-38)41-18-11-17-40(27-41)39-16-10-14-36(26-39)29-56-46(58)28-42(49(56)60)53-51(61)62-32-35-12-6-5-7-13-35/h5-7,10-14,16-18,20-23,26-27,33,37,42-45,47,50,57H,8-9,15,19,24-25,28-32H2,1-4H3,(H,53,61)(H,54,59)/t33-,37-,42?,43-,44-,45+,47+,50+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CCCOC4CCCCO4)O)CCC5=C3C=CC(=C5)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H52O4Si/c1-30(2,3)37(5,6)36-24-12-14-25-23(22-24)11-13-27-26(25)15-18-31(4)28(27)16-19-32(31,33)17-9-21-35-29-10-7-8-20-34-29/h12,14,22,26-29,33H,7-11,13,15-21H2,1-6H3/t26-,27-,28+,29?,31+,32+/m1/s1
SMILES: C[C@H]1[C@@H]([C@@](C[C@H]([C@@]2(C(CC[C@@]13C2C(=O)CC3)C)C)OC(=O)CC(=O)C45CCN(C4)CC5)(C)C=C)O
InChI: InChI=1S/C29H43NO5/c1-6-26(4)16-22(35-23(33)15-21(32)28-11-13-30(17-28)14-12-28)27(5)18(2)7-9-29(19(3)25(26)34)10-8-20(31)24(27)29/h6,18-19,22,24-25,34H,1,7-17H2,2-5H3/t18?,19-,22+,24?,25-,26-,27-,29-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)OC
InChI: InChI=1S/C20H30N2O6S/c1-13-8-6-11-18(14(13)2)21-19(23)15(3)28-20(24)16-9-7-10-17(12-16)29(25,26)22(4)27-5/h7,9-10,12-15,18H,6,8,11H2,1-5H3,(H,21,23)/t13-,14-,15-,18-/m1/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]1NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCN=C(N)N)CC(=O)O)O)O
InChI: InChI=1S/C18H29N7O8/c19-18(20)21-3-1-2-8-16(32)22-6-11(26)23-10(5-12(27)28)17(33)25-9-4-7(15(31)24-8)13(29)14(9)30/h7-10,13-14,29-30H,1-6H2,(H,22,32)(H,23,26)(H,24,31)(H,25,33)(H,27,28)(H4,19,20,21)/t7-,8+,9+,10+,13-,14-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
InChI: InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H](C[C@@H](O2)N3C=NC4=C(N=C(N=C43)F)N)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C22H38FN5O4Si2/c1-12(2)33(13(3)4)29-10-17-16(31-34(32-33,14(5)6)15(7)8)9-18(30-17)28-11-25-19-20(24)26-22(23)27-21(19)28/h11-18H,9-10H2,1-8H3,(H2,24,26,27)/t16-,17+,18+/m0/s1
SMILES: CCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)[C@H](C)C4=CC=C(C=C4)OC)O2
InChI: InChI=1S/C21H25NO5/c1-4-11-26-20(24)17-16-9-10-21(27-16)12-22(19(23)18(17)21)13(2)14-5-7-15(25-3)8-6-14/h5-10,13,16-18H,4,11-12H2,1-3H3/t13-,16-,17-,18+,21-/m1/s1
SMILES: COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C24H25N3O6S/c1-33-21-9-5-4-8-20(21)26-34(31,32)17-12-10-16(11-13-17)25-22(28)14-15-27-23(29)18-6-2-3-7-19(18)24(27)30/h2-5,8-13,18-19,26H,6-7,14-15H2,1H3,(H,25,28)/t18-,19-/m0/s1
SMILES: C1[C@H]([C@@H]([C@H](O1)CCO)O)N2C=NC3=C(N=CN=C32)N
InChI: InChI=1S/C11H15N5O3/c12-10-8-11(14-4-13-10)16(5-15-8)6-3-19-7(1-2-17)9(6)18/h4-7,9,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,9+/m1/s1
SMILES: CS(=O)(=O)O.C1CC1CN2CC[C@@]34CC(=O)CC[C@]3([C@@H]2CC5=C4C=C(C=C5)O)O
InChI: InChI=1S/C20H25NO3.CH4O3S/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13;1-5(2,3)4/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2;1H3,(H,2,3,4)/t18-,19-,20+;/m0./s1
SMILES: C[C@@H]1C[C@H]2C[C@@H]([C@H]3[C@@]2(CC(=C)[C@@H]3CCNC(=O)OC(C)(C)C)[C@@H](C1)OCOC)OCOC
InChI: InChI=1S/C25H43NO6/c1-16-10-18-12-20(30-14-28-6)22-19(8-9-26-23(27)32-24(3,4)5)17(2)13-25(18,22)21(11-16)31-15-29-7/h16,18-22H,2,8-15H2,1,3-7H3,(H,26,27)/t16-,18+,19+,20+,21-,22+,25-/m1/s1
SMILES: C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
InChI: InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1
SMILES: CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N[C@@H]3CCC[C@@H]([C@H]3C)C
InChI: InChI=1S/C22H28ClNO4/c1-4-6-15-9-22(26)28-19-11-20(17(23)10-16(15)19)27-12-21(25)24-18-8-5-7-13(2)14(18)3/h9-11,13-14,18H,4-8,12H2,1-3H3,(H,24,25)/t13-,14+,18+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC2=C3C4=C(CCCC4)SC3=NC=N2
InChI: InChI=1S/C19H25N3O2S/c1-12-6-2-4-8-14(12)22-16(23)10-24-18-17-13-7-3-5-9-15(13)25-19(17)21-11-20-18/h11-12,14H,2-10H2,1H3,(H,22,23)/t12-,14+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NSC6=CC=CC=C65
InChI: InChI=1S/C24H30N4O2S/c29-23-20-16-7-8-17(15-16)21(20)24(30)28(23)10-4-3-9-26-11-13-27(14-12-26)22-18-5-1-2-6-19(18)31-25-22/h1-2,5-6,16-17,20-21H,3-4,7-15H2/t16-,17+,20+,21-
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3C[C@@H]([C@@H]([C@H](O3)[C@@H](CO)O)O)O
InChI: InChI=1S/C24H34O6Si/c1-24(2,3)31(18-10-6-4-7-11-18,19-12-8-5-9-13-19)29-16-17-14-20(26)22(28)23(30-17)21(27)15-25/h4-13,17,20-23,25-28H,14-16H2,1-3H3/t17-,20-,21+,22-,23+/m0/s1
SMILES: C/C/1=C\[C@@H](CC2=C[C@H]([C@@H]([C@H](C/C(=C/CC1)/C)OC(=O)C)C(C)C)OC2=O)O
InChI: InChI=1S/C22H32O5/c1-13(2)21-19(26-16(5)23)10-15(4)8-6-7-14(3)9-18(24)11-17-12-20(21)27-22(17)25/h8-9,12-13,18-21,24H,6-7,10-11H2,1-5H3/b14-9+,15-8+/t18-,19-,20+,21+/m0/s1
SMILES: CCNC(=O)NCC1=CC=C(C=C1)C2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CSC4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C30H34N2O6S/c1-3-31-30(36)32-16-20-4-10-24(11-5-20)29-37-26(18-39-25-14-12-23(13-15-25)28(34)35)19(2)27(38-29)22-8-6-21(17-33)7-9-22/h4-15,19,26-27,29,33H,3,16-18H2,1-2H3,(H,34,35)(H2,31,32,36)/t19-,26+,27+,29?/m0/s1
SMILES: C[C@@]12[C@@H]3C[C@H]([C@@]1([C@@H]4[C@H]2[C@@H]5C[C@H]4C6=C(C7=CC8=CC=CC=C8C=C7C(=C56)OC)OC)C)[C@@H]9[C@H]3[C@@]1(C(=C([C@]9(C1(OC)OC)Cl)Cl)Cl)Cl
InChI: InChI=1S/C37H36Cl4O4/c1-33-21-14-22(28-27(21)35(40)31(38)32(39)36(28,41)37(35,44-5)45-6)34(33,2)26-20-13-19(25(26)33)23-24(20)30(43-4)18-12-16-10-8-7-9-15(16)11-17(18)29(23)42-3/h7-12,19-22,25-28H,13-14H2,1-6H3/t19-,20+,21-,22+,25-,26+,27+,28-,33+,34-,35+,36-
SMILES: CCN1C=C(C(=N1)C(=O)N2[C@H]([C@H]3CCC/C(=C\C4=CC=CS4)/C3=N2)C5=CC=CS5)Cl
InChI: InChI=1S/C22H21ClN4OS2/c1-2-26-13-17(23)20(24-26)22(28)27-21(18-9-5-11-30-18)16-8-3-6-14(19(16)25-27)12-15-7-4-10-29-15/h4-5,7,9-13,16,21H,2-3,6,8H2,1H3/b14-12+/t16-,21+/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)C2=CC=CC=C2)O[S@](=O)C3=CC=CC=C3
InChI: InChI=1S/C18H20O2S/c19-21(16-11-5-2-6-12-16)20-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18+,21+/m1/s1
SMILES: C1CC[C@H]([C@@H](CC1)OC(=O)C2=CC(=C(C(=C2)O)C(=O)C3=C(C=CC=C3O)C(=O)O)O)NC(=O)C4=CC=C(C=C4)O
InChI: InChI=1S/C29H27NO10/c31-17-11-9-15(10-12-17)27(36)30-19-6-2-1-3-8-23(19)40-29(39)16-13-21(33)25(22(34)14-16)26(35)24-18(28(37)38)5-4-7-20(24)32/h4-5,7,9-14,19,23,31-34H,1-3,6,8H2,(H,30,36)(H,37,38)/t19-,23-/m1/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@H]4CCCN4C5([C@H]3C2=O)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C24H19N3O6/c1-12-8-9-13(27(32)33)11-17(12)26-22(30)18-16-7-4-10-25(16)24(19(18)23(26)31)20(28)14-5-2-3-6-15(14)21(24)29/h2-3,5-6,8-9,11,16,18-19H,4,7,10H2,1H3/t16-,18+,19-/m1/s1
SMILES: C1=CC2=[N+](C=C1CCC(=O)O)C3=NC=NC(=C3NC2=O)NC4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C18H19N5O7/c24-6-10-13(27)14(28)18(30-10)22-15-12-16(20-7-19-15)23-5-8(2-4-11(25)26)1-3-9(23)17(29)21-12/h1,3,5,7,10,13-14,18,24,27-28H,2,4,6H2,(H2,25,26,29)/p+1/t10-,13-,14-,18?/m1/s1
SMILES: CC=C1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5OC(=O)C)N3[C@@H]1O)C6=CC=CC=C6N4
InChI: InChI=1S/C21H24N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-20,22,25H,8-9H2,1-2H3/t12-,15-,16-,17?,18-,19+,20+,21+/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)C4=CN=CC=C4)CN(CC=C)C5CCCC5
InChI: InChI=1S/C33H39N3O4/c1-3-19-36(29-8-4-5-9-29)21-30-23(2)31(25-12-10-24(22-37)11-13-25)40-33(39-30)26-14-16-28(17-15-26)35-32(38)27-7-6-18-34-20-27/h3,6-7,10-18,20,23,29-31,33,37H,1,4-5,8-9,19,21-22H2,2H3,(H,35,38)/t23-,30+,31+,33+/m1/s1
SMILES: CCCCNC1=NC2=C(N=CN=C2N1[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C14H22N6O4/c1-2-3-4-16-14-19-8-11(15)17-6-18-12(8)20(14)13-10(23)9(22)7(5-21)24-13/h6-7,9-10,13,21-23H,2-5H2,1H3,(H,16,19)(H2,15,17,18)/t7-,9+,10-,13-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]2C(=O)[C@H]3[C@@H]4C(=O)O[C@H]5[C@@]4(O[C@@]3([C@H]5C)[C@H]([C@]26C(=C[C@]1(O6)C)C)C)C
InChI: InChI=1S/C23H28O7/c1-7-27-18(25)14-12-16(24)13-15-19(26)28-17-10(3)23(13,30-21(15,17)6)11(4)22(12)9(2)8-20(14,5)29-22/h8,10-15,17H,7H2,1-6H3/t10-,11-,12-,13+,14-,15+,17+,20+,21+,22+,23-/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H](C(NC(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)NCCCC4=NC(=NO4)C5=CC=NC=C5)C
InChI: InChI=1S/C41H63N7O11/c1-12-29-41(8)33(48(39(53)58-41)43-17-13-14-30-45-35(46-59-30)27-15-18-42-19-16-27)26(6)44-36(51)22(2)21-40(7,54-11)34(24(4)31(49)25(5)37(52)56-29)57-38-32(50)28(47(9)10)20-23(3)55-38/h15-16,18-19,22-26,28-29,32-34,38,43,50H,12-14,17,20-21H2,1-11H3,(H,44,51)/t22-,23-,24+,25-,26?,28+,29-,32-,33-,34-,38+,40+,41-/m1/s1
SMILES: CCCCC[C@H]1CC(=O)CC(=C[C@H]1[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H42O2Si2/c1-10-11-12-13-17-14-18(22)15-19(16-20(17)24(5,6)7)23-25(8,9)21(2,3)4/h16-17,20H,10-15H2,1-9H3/t17-,20+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC(=C3)C(=O)C)C(=O)OC
InChI: InChI=1S/C27H27N3O5S/c1-15(2)17-8-10-18(11-9-17)23-21(13-28)26(30-25(33)24(23)27(34)35-4)36-14-22(32)29-20-7-5-6-19(12-20)16(3)31/h5-12,15,23-24H,14H2,1-4H3,(H,29,32)(H,30,33)/t23-,24-/m0/s1
SMILES: C/C=C(\C)/C(=O)N[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC=C4[C@@H]3CC=C2C1=O)C(C)N(C)C)C)C
InChI: InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,12,18-20,22,24H,9,11,13-16H2,1-7H3,(H,29,32)/b17-8+/t18?,19-,20+,22-,24-,27+,28+/m0/s1
SMILES: CC(=O)N1C=CN([C@@H]([C@H]1C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54)C(=O)C
InChI: InChI=1S/C24H22N4O2/c1-15(29)27-11-12-28(16(2)30)24(20-14-26-22-10-6-4-8-18(20)22)23(27)19-13-25-21-9-5-3-7-17(19)21/h3-14,23-26H,1-2H3/t23-,24-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl
InChI: InChI=1S/C18H24ClNO5S/c1-11-6-4-5-7-16(11)20-17(21)12(2)25-18(22)14-10-13(26(3,23)24)8-9-15(14)19/h8-12,16H,4-7H2,1-3H3,(H,20,21)/t11-,12-,16+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC[C@@](O3)(C)CO)(CC[C@@H]4[C@@]2(COC(O4)(C)C)C)C
InChI: InChI=1S/C22H38O4/c1-15-7-8-16-20(5)14-24-18(2,3)25-17(20)9-10-21(16,6)22(15)12-11-19(4,13-23)26-22/h15-17,23H,7-14H2,1-6H3/t15-,16+,17-,19+,20-,21+,22-/m1/s1