EdisonScientific/glyph-datasets huggingface dataset:
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)F)C(=O)N(C5=O)C8=CC=C(C=C8)C=C
InChI: InChI=1S/C41H34FN3O5/c1-3-24-11-16-28(17-12-24)44-37(47)30-19-18-29-31(35(30)39(44)49)22-32-38(48)45(43-27-14-9-23(2)10-15-27)40(50)41(32,26-7-5-4-6-8-26)36(29)25-13-20-34(46)33(42)21-25/h3-18,20-21,30-32,35-36,43,46H,1,19,22H2,2H3/t30-,31+,32-,35-,36-,41+/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](NC(=O)N[C@@]2(C(F)(F)F)O)C3=CC=CC=C3OC
InChI: InChI=1S/C20H19F3N2O5/c1-29-12-9-7-11(8-10-12)17(26)15-16(13-5-3-4-6-14(13)30-2)24-18(27)25-19(15,28)20(21,22)23/h3-10,15-16,28H,1-2H3,(H2,24,25,27)/t15-,16+,19-/m1/s1
SMILES: CC1=C(C=CC=C1Cl)[C@H]2[C@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C27H17BrClNO5/c1-13-16(7-4-8-19(13)29)22-20-21(26(34)30(25(20)33)15-11-9-14(28)10-12-15)27(35-22)23(31)17-5-2-3-6-18(17)24(27)32/h2-12,20-22H,1H3/t20-,21-,22+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]5[C@H](C4)NC(=O)[C@@H]5Cl)C)C
InChI: InChI=1S/C29H48ClNO/c1-17(2)7-6-8-18(3)22-11-12-23-20-10-9-19-15-25-21(26(30)27(32)31-25)16-29(19,5)24(20)13-14-28(22,23)4/h17-26H,6-16H2,1-5H3,(H,31,32)/t18-,19+,20+,21-,22-,23+,24+,25+,26-,28-,29+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC2=CC(=C(C=C2)C(=O)CC3=CC4=CC=CC=C4C=N3)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C31H31NO12/c1-16(33)39-15-27-28(40-17(2)34)29(41-18(3)35)30(42-19(4)36)31(44-27)43-23-9-10-24(26(38)13-23)25(37)12-22-11-20-7-5-6-8-21(20)14-32-22/h5-11,13-14,27-31,38H,12,15H2,1-4H3/t27-,28-,29+,30+,31-/m1/s1
SMILES: CCCCCCCCCCCC[C@@H]1[C@H](OC(O1)(C)C)CC[C@H]([C@H]2CCC(=O)O2)OS(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C31H50O7S/c1-5-6-7-8-9-10-11-12-13-14-15-27-28(37-31(3,4)36-27)20-21-29(26-22-23-30(32)35-26)38-39(33,34)25-18-16-24(2)17-19-25/h16-19,26-29H,5-15,20-23H2,1-4H3/t26-,27-,28-,29-/m1/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCC(C)C)/C)[C@H](C)O
InChI: InChI=1S/C21H36O7/c1-11(2)9-27-18(23)7-12(3)6-16-20(25)19(24)15(10-26-16)8-17-21(28-17)13(4)14(5)22/h7,11,13-17,19-22,24-25H,6,8-10H2,1-5H3/b12-7+/t13-,14-,15-,16-,17-,19+,20-,21-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl
InChI: InChI=1S/C23H16Cl2N2O3/c24-14-10-12-15(13-11-14)26-22(28)19-20(17-8-4-5-9-18(17)25)27(30-21(19)23(26)29)16-6-2-1-3-7-16/h1-13,19-21H/t19-,20-,21+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C(=C5Br)Br)O)OC)C(=O)N(C4=O)N(C)C6=C(C=CC(=N6)C(F)(F)F)Cl
InChI: InChI=1S/C31H23Br2ClF3N3O6/c1-11-8-18(41)23-16(26(11)42)9-14-12(21(23)15-10-19(46-3)27(43)25(33)24(15)32)4-5-13-22(14)30(45)40(29(13)44)39(2)28-17(34)6-7-20(38-28)31(35,36)37/h4,6-8,10,13-14,21-22,43H,5,9H2,1-3H3/t13-,14+,21+,22-/m0/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NC2=CC(=C(C=C2)Cl)C(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C15H14ClNO5/c16-12-6-5-8(7-11(12)15(21)22)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10H,3-4H2,(H,17,18)(H,19,20)(H,21,22)/p-2/t9-,10-/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)OS(=O)(=O)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Na+]
InChI: InChI=1S/C21H22O14S2.Na/c1-30-21-18(34-20(23)14-10-6-3-7-11-14)17(33-19(22)13-8-4-2-5-9-13)16(35-37(27,28)29)15(32-21)12-31-36(24,25)26;/h2-11,15-18,21H,12H2,1H3,(H,24,25,26)(H,27,28,29);/q;+1/t15-,16-,17+,18-,21-;/m1./s1
SMILES: C[C@@H](C(=O)NC1CC1)OC(=O)[C@H]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3
InChI: InChI=1S/C20H24N2O3S/c1-12(18(23)21-13-10-11-13)25-20(24)15-7-3-2-6-14(15)19-22-16-8-4-5-9-17(16)26-19/h4-5,8-9,12-15H,2-3,6-7,10-11H2,1H3,(H,21,23)/t12-,14-,15-/m0/s1
SMILES: C[C@H]1C(=O)N([C@@H](C(=O)N2[C@@H](CCCN2)C(=O)N[C@@H](C(=O)O[C@H]([C@@H](C(=O)N3[C@H](CCCN3)C(=O)N1O)[NH3+])C(C)C)[C@H](C)O)CC(C)C)C.[Cl-]
InChI: InChI=1S/C30H52N8O9.ClH/c1-15(2)14-21-27(42)36-19(10-8-12-32-36)25(40)34-23(18(6)39)30(45)47-24(16(3)4)22(31)29(44)37-20(11-9-13-33-37)28(43)38(46)17(5)26(41)35(21)7;/h15-24,32-33,39,46H,8-14,31H2,1-7H3,(H,34,40);1H/t17-,18-,19-,20+,21+,22-,23+,24-;/m0./s1
SMILES: CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=C5C(=N4)N=C(O5)N(C)C)C(F)(F)F)O)O
InChI: InChI=1S/C21H21ClF3N9O5/c1-26-17(37)13-10(35)11(36)18(38-13)34-6-28-9-14(30-19(22)32-16(9)34)27-5-7-4-8(21(23,24)25)12-15(29-7)31-20(39-12)33(2)3/h4,6,10-11,13,18,35-36H,5H2,1-3H3,(H,26,37)(H,27,30,32)/t10-,11+,13-,18+/m0/s1
SMILES: CC(C)[C@@H]1C[C@@H]2[C@@]3(C[C@H]1[C@@H]([C@]2(CC3O)C)O)C
InChI: InChI=1S/C15H26O2/c1-8(2)9-5-11-14(3)6-10(9)13(17)15(11,4)7-12(14)16/h8-13,16-17H,5-7H2,1-4H3/t9-,10+,11+,12?,13-,14-,15-/m0/s1
SMILES: CO[C@@H]1CN(CC[C@@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCNC3=C(C=CC=N3)Cl
InChI: InChI=1S/C22H29Cl2N5O3/c1-31-19-12-17(25)16(24)11-14(19)22(30)28-18-6-10-29(13-20(18)32-2)9-4-8-27-21-15(23)5-3-7-26-21/h3,5,7,11-12,18,20H,4,6,8-10,13,25H2,1-2H3,(H,26,27)(H,28,30)/t18-,20+/m0/s1
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)OC)(C(=O)OC)O)C(=O)C)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O
InChI: InChI=1S/C38H52O13/c1-10-22(2)20-23(3)16-17-29(41)49-33-31(42)36(19-18-24(4)30(48-27(7)40)25(5)21-28-14-12-11-13-15-28)50-32(26(6)39)37(45,34(43)46-8)38(33,51-36)35(44)47-9/h11-17,22-23,25,30-33,42,45H,4,10,18-21H2,1-3,5-9H3/b17-16+/t22-,23+,25+,30+,31+,32+,33+,36-,37+,38-/m0/s1
SMILES: C[C@]12COC3=C([C@H]1OC4=CC(=C(C=C24)O)OCC5=CC=CC=C5)C=CC(=C3)OC
InChI: InChI=1S/C24H22O5/c1-24-14-28-20-10-16(26-2)8-9-17(20)23(24)29-21-12-22(19(25)11-18(21)24)27-13-15-6-4-3-5-7-15/h3-12,23,25H,13-14H2,1-2H3/t23-,24-/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC5=C(C=C4)OCO5)C(=O)C6CCCO6)C(=O)NCCO)CO
InChI: InChI=1S/C30H34N2O10/c1-38-24-11-17(14-34)9-18-25-19(29(36)31-6-7-33)12-20(26(35)28(25)42-27(18)24)32(30(37)22-3-2-8-39-22)13-16-4-5-21-23(10-16)41-15-40-21/h4-5,9-12,20,22,25-26,28,33-35H,2-3,6-8,13-15H2,1H3,(H,31,36)/t20-,22?,25+,26+,28+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl
InChI: InChI=1S/C18H18ClN3O7/c19-13-6-5-10(22(27)28)7-14(13)20-15(23)9-29-16(24)8-21-17(25)11-3-1-2-4-12(11)18(21)26/h5-7,11-12H,1-4,8-9H2,(H,20,23)/t11-,12-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NC3=CC=CC=C3N2
InChI: InChI=1S/C17H23N3OS/c1-11-7-3-4-8-13(11)18-16(21)12(2)22-17-19-14-9-5-6-10-15(14)20-17/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,18,21)(H,19,20)/t11-,12+,13+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](C(=NO2)C(Cl)(Cl)Cl)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C17H12Cl3NO2/c18-17(19,20)16-13(14(22)11-7-3-1-4-8-11)15(23-21-16)12-9-5-2-6-10-12/h1-10,13,15H/t13-,15-/m1/s1
SMILES: C[C@]12[C@](C3=CC=CC=C3O1)(C(C(O2)(C#N)C#N)(C#N)C#N)C4=CC=CC=C4
InChI: InChI=1S/C21H12N4O2/c1-18-21(15-7-3-2-4-8-15,16-9-5-6-10-17(16)26-18)19(11-22,12-23)20(13-24,14-25)27-18/h2-10H,1H3/t18-,21-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C5=CC=CC=C5)[C@@H]1C6=C(C=C(C=C6)OC)O)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C32H26ClFN4O6/c1-32-22(28(40)36(29(32)41)18-8-11-24(34)23(33)14-18)16-25-20(27(32)21-10-9-19(44-2)15-26(21)39)12-13-35-30(42)37(31(43)38(25)35)17-6-4-3-5-7-17/h3-12,14-15,22,25,27,39H,13,16H2,1-2H3/t22-,25+,27+,32+/m0/s1
SMILES: CCCCC(=O)O[C@@]1(CCC2[C@@]1(C[C@@H](C3C2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)CO
InChI: InChI=1S/C26H36O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h9,11,13,18-20,23,27,29H,4-8,10,12,14-15H2,1-3H3/t18?,19?,20-,23?,24-,25-,26-/m0/s1
SMILES: CC1=CC=CC=C1[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=CC=C5
InChI: InChI=1S/C24H20N2O3/c1-16-10-8-9-15-19(16)21-20-22(29-26(21)18-13-6-3-7-14-18)24(28)25(23(20)27)17-11-4-2-5-12-17/h2-15,20-22H,1H3/t20-,21+,22-/m0/s1
SMILES: C[C@@H]1[C@H](CN1C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C23H20Cl2FNO3S/c1-15-22(30-31(28,29)21-12-10-20(26)11-13-21)14-27(15)23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-13,15,22-23H,14H2,1H3/t15-,22+/m1/s1
SMILES: CC1(O[C@H]2[C@H]([C@H](O[C@@H]([C@H]2O1)OC)CO)N(C)C(=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C19H27NO7/c1-19(2)26-15-14(13(10-21)25-17(23-4)16(15)27-19)20(3)18(22)24-11-12-8-6-5-7-9-12/h5-9,13-17,21H,10-11H2,1-4H3/t13-,14+,15+,16+,17+/m1/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@@H]2C3=CC=CO3)(CC4=CC=C(C=C4)O)C(=O)OCC
InChI: InChI=1S/C22H24N2O6/c1-3-24-19(26)16-17(20(24)27)22(21(28)29-4-2,12-13-7-9-14(25)10-8-13)23-18(16)15-6-5-11-30-15/h5-11,16-18,23,25H,3-4,12H2,1-2H3/t16-,17-,18+,22+/m0/s1
SMILES: CC1=C(C2=C(C=C1)[C@]3([C@H]4[C@@H]([C@@H]([NH2+]3)CC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5)C(=O)N2)C
InChI: InChI=1S/C24H24N4O4/c1-12-8-9-15-20(13(12)2)26-23(32)24(15)19-18(16(27-24)10-17(25)29)21(30)28(22(19)31)11-14-6-4-3-5-7-14/h3-9,16,18-19,27H,10-11H2,1-2H3,(H2,25,29)(H,26,32)/p+1/t16-,18+,19-,24-/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)CNS(=O)(=O)C4=CC=CC=C4)CN5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C36H40N4O7S/c1-26-34(24-38-19-21-39(22-20-38)31-15-17-32(18-16-31)40(42)43)46-36(47-35(26)29-11-9-28(25-41)10-12-29)30-13-7-27(8-14-30)23-37-48(44,45)33-5-3-2-4-6-33/h2-18,26,34-37,41H,19-25H2,1H3/t26-,34+,35+,36+/m1/s1
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2[C@@H]([C@@H]([C@@H](O[C@H]2O)CO)O)O)/C)/C
InChI: InChI=1S/C26H39NO6/c1-16(11-12-19-18(3)10-7-13-26(19,4)5)8-6-9-17(2)14-21(29)27-22-24(31)23(30)20(15-28)33-25(22)32/h6,8-9,11-12,14,20,22-25,28,30-32H,7,10,13,15H2,1-5H3,(H,27,29)/b9-6+,12-11+,16-8+,17-14+/t20-,22?,23+,24-,25+/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)NC(=S)N[C@H]2[C@H](CC3=CC=CC=C23)O
InChI: InChI=1S/C18H18N2O3S/c1-23-17(22)11-6-8-13(9-7-11)19-18(24)20-16-14-5-3-2-4-12(14)10-15(16)21/h2-9,15-16,21H,10H2,1H3,(H2,19,20,24)/t15-,16+/m0/s1
SMILES: C1CSC(=N1)S[C@H]2[C@@H]([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)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C37H31NO9S2/c39-32(24-13-5-1-6-14-24)43-23-28-29(45-33(40)25-15-7-2-8-16-25)30(46-34(41)26-17-9-3-10-18-26)31(36(44-28)49-37-38-21-22-48-37)47-35(42)27-19-11-4-12-20-27/h1-20,28-31,36H,21-23H2/t28-,29-,30+,31-,36+/m1/s1
SMILES: CCCNC1=NC2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC4CCCC4
InChI: InChI=1S/C18H28N6O4/c1-2-7-19-18-23-12-15(22-10-5-3-4-6-10)20-9-21-16(12)24(18)17-14(27)13(26)11(8-25)28-17/h9-11,13-14,17,25-27H,2-8H2,1H3,(H,19,23)(H,20,21,22)/t11-,13-,14-,17-/m1/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@@H](C3=CC=CC=C3C(=O)N2C4CCCC4)C(=O)[O-]
InChI: InChI=1S/C22H23NO4/c1-27-18-13-7-6-12-17(18)20-19(22(25)26)15-10-4-5-11-16(15)21(24)23(20)14-8-2-3-9-14/h4-7,10-14,19-20H,2-3,8-9H2,1H3,(H,25,26)/p-1/t19-,20+/m1/s1
SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC
InChI: InChI=1S/C37H58O12/c1-32(31(46)47-6)11-13-37(30(44)45)14-12-35(4)19(20(37)15-32)7-8-24-33(2)16-21(40)28(34(3,18-39)23(33)9-10-36(24,35)5)49-29-27(43)26(42)25(41)22(17-38)48-29/h7,20-29,38-43H,8-18H2,1-6H3,(H,44,45)/t20?,21?,22-,23?,24?,25-,26+,27-,28?,29+,32?,33?,34?,35?,36?,37?/m1/s1
SMILES: C[C@H]1CC2C(CC[C@H]3[C@@]2(CC[C@H](C3)O)C)C4[C@]1([C@H](CC4)C(C)CCC(=O)NCCNCCNCCN)C
InChI: InChI=1S/C31H58N4O2/c1-21(5-10-29(37)35-18-17-34-16-15-33-14-13-32)26-8-9-27-25-7-6-23-20-24(36)11-12-30(23,3)28(25)19-22(2)31(26,27)4/h21-28,33-34,36H,5-20,32H2,1-4H3,(H,35,37)/t21?,22-,23+,24+,25?,26+,27?,28?,30-,31+/m0/s1
SMILES: CC(CCC/C(=C/CC1=CC=CC=C1)/C)C[C@@]2(C[C@@]3([C@@](CC(=O)O3)(OO2)O)C)C
InChI: InChI=1S/C24H34O5/c1-18(13-14-20-11-6-5-7-12-20)9-8-10-19(2)15-22(3)17-23(4)24(26,29-28-22)16-21(25)27-23/h5-7,11-13,19,26H,8-10,14-17H2,1-4H3/b18-13+/t19?,22-,23-,24-/m1/s1
SMILES: CO[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)O)N3C4=C(C=CC=C4Cl)C5=C6C(=C7C8=C(C(=CC=C8)Cl)NC7=C53)C(=O)N(C6=O)COCC9=CC=CC=C9)COCC1=CC=CC=C1
InChI: InChI=1S/C49H41Cl2N3O8/c1-58-45-35(26-59-23-28-13-5-2-6-14-28)62-49(44(55)46(45)61-25-30-17-9-4-10-18-30)54-42-32(20-12-22-34(42)51)37-39-38(36-31-19-11-21-33(50)40(31)52-41(36)43(37)54)47(56)53(48(39)57)27-60-24-29-15-7-3-8-16-29/h2-22,35,44-46,49,52,55H,23-27H2,1H3/t35-,44-,45-,46-,49-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H](OC(O2)(C)C)[C@@H]3C[C@H]3[N+](=O)[O-])C
InChI: InChI=1S/C13H21NO6/c1-12(2)17-6-9(18-12)11-10(19-13(3,4)20-11)7-5-8(7)14(15)16/h7-11H,5-6H2,1-4H3/t7-,8-,9-,10-,11-/m1/s1
SMILES: CCOC(=O)[C@@H]1C[C@@]2(C3=C(C(=CC(=C3)Br)C)NC2=O)N4[C@H]1CCC4
InChI: InChI=1S/C18H21BrN2O3/c1-3-24-16(22)12-9-18(21-6-4-5-14(12)21)13-8-11(19)7-10(2)15(13)20-17(18)23/h7-8,12,14H,3-6,9H2,1-2H3,(H,20,23)/t12-,14+,18+/m1/s1
SMILES: CCCCCCC1(OCCO1)CCCCCC/C=C/CC[C@@H]2[C@@](CN=C(O2)C(Cl)(Cl)Cl)(CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O
InChI: InChI=1S/C41H60Cl3NO5Si/c1-5-6-7-21-28-40(47-30-31-48-40)29-22-13-11-9-8-10-12-20-27-36-39(46,32-45-37(50-36)41(42,43)44)33-49-51(38(2,3)4,34-23-16-14-17-24-34)35-25-18-15-19-26-35/h10,12,14-19,23-26,36,46H,5-9,11,13,20-22,27-33H2,1-4H3/b12-10+/t36-,39-/m1/s1
SMILES: C[C@@]1([C@H]2CCCC2=C(C3=CC=CC=C31)OC)C4=NC(CO4)(C)C
InChI: InChI=1S/C20H25NO2/c1-19(2)12-23-18(21-19)20(3)15-10-6-5-8-13(15)17(22-4)14-9-7-11-16(14)20/h5-6,8,10,16H,7,9,11-12H2,1-4H3/t16-,20+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N4CCN(CC4)C5=C(C=C6C(=C5)N(C=C(C6=O)C(=O)[O-])C7CC7)F)C(=O)[O-])[C@@H](C)O.[Na+].[Na+]
InChI: InChI=1S/C32H36FN5O8S.2Na/c1-14-25-24(15(2)39)30(42)38(25)26(32(45)46)28(14)47-17-9-21(34-12-17)29(41)36-7-5-35(6-8-36)23-11-22-18(10-20(23)33)27(40)19(31(43)44)13-37(22)16-3-4-16;;/h10-11,13-17,21,24-25,34,39H,3-9,12H2,1-2H3,(H,43,44)(H,45,46);;/q;2*+1/p-2/t14-,15-,17+,21+,24-,25-;;/m1../s1
SMILES: CC(=O)NC1=CC(=CC=C1)NC(=O)[C@H]2[C@@H](C3CCC2CC3)C(=O)[O-]
InChI: InChI=1S/C18H22N2O4/c1-10(21)19-13-3-2-4-14(9-13)20-17(22)15-11-5-7-12(8-6-11)16(15)18(23)24/h2-4,9,11-12,15-16H,5-8H2,1H3,(H,19,21)(H,20,22)(H,23,24)/p-1/t11?,12?,15-,16-/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCCNCCCCN)NC(=O)[C@H]2[C@@H](O2)C(=O)O
InChI: InChI=1S/C20H30N4O5/c21-9-4-5-10-22-11-6-12-23-18(25)15(13-14-7-2-1-3-8-14)24-19(26)16-17(29-16)20(27)28/h1-3,7-8,15-17,22H,4-6,9-13,21H2,(H,23,25)(H,24,26)(H,27,28)/t15-,16+,17+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@@H]([C@@H]2O1)[C@@H](COS(=O)(=O)C)OS(=O)(=O)C)COCC3=CC=CC=C3)C
InChI: InChI=1S/C19H28O10S2/c1-19(2)27-17-14(11-24-10-13-8-6-5-7-9-13)26-16(18(17)28-19)15(29-31(4,22)23)12-25-30(3,20)21/h5-9,14-18H,10-12H2,1-4H3/t14-,15-,16-,17-,18+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C
InChI: InChI=1S/C24H27N3O2S/c1-16-11-13-18(14-12-16)27-23(29)19-8-4-6-10-21(19)26-24(27)30-15-22(28)25-20-9-5-3-7-17(20)2/h4,6,8,10-14,17,20H,3,5,7,9,15H2,1-2H3,(H,25,28)/t17-,20-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)N[C@@H](CC5=CN=CN5)C(=O)O)C)C
InChI: InChI=1S/C37H57N3O5/c1-23(2)7-6-8-24(3)29-11-12-30-28-10-9-25-19-27(15-17-36(25,4)31(28)16-18-37(29,30)5)45-34(42)14-13-33(41)40-32(35(43)44)20-26-21-38-22-39-26/h9,21-24,27-32H,6-8,10-20H2,1-5H3,(H,38,39)(H,40,41)(H,43,44)/t24-,27+,28?,29-,30+,31+,32+,36+,37-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)CCC5=CC=CC=C5)C)C
InChI: InChI=1S/C36H56O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-13,25-26,28-33H,9-11,14-24H2,1-5H3/t26-,28+,29+,30+,31-,32+,33+,35+,36-/m1/s1
SMILES: CCCC(=O)C1=C([C@H]([C@H](CC1=O)C[C@@H](C)SCC)C(=O)OCC)O
InChI: InChI=1S/C18H28O5S/c1-5-8-13(19)16-14(20)10-12(9-11(4)24-7-3)15(17(16)21)18(22)23-6-2/h11-12,15,21H,5-10H2,1-4H3/t11-,12+,15+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C22H31N3O5/c1-15-6-5-7-18(16(15)2)23-21(26)14-30-22(27)17-10-12-24(13-11-17)19-8-3-4-9-20(19)25(28)29/h3-4,8-9,15-18H,5-7,10-14H2,1-2H3,(H,23,26)/t15-,16+,18-/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=CC=CC=C6Cl
InChI: InChI=1S/C27H18ClNO6/c1-34-15-12-10-14(11-13-15)29-25(32)20-21(26(29)33)27(35-22(20)18-8-4-5-9-19(18)28)23(30)16-6-2-3-7-17(16)24(27)31/h2-13,20-22H,1H3/t20-,21-,22-/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4
InChI: InChI=1S/C21H24N2O2S/c24-20(19-9-4-12-26-19)22-18-8-3-7-16(13-18)21(25)23-11-10-15-5-1-2-6-17(15)14-23/h3-4,7-9,12-13,15,17H,1-2,5-6,10-11,14H2,(H,22,24)/t15-,17+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@]45[C@@]3(CC(C(=O)[C@H]4O5)S(=O)(=O)C6=CC=CC=C6)C
InChI: InChI=1S/C25H32O5S/c1-23-12-11-18-16(17(23)8-9-20(23)26)10-13-25-22(30-25)21(27)19(14-24(18,25)2)31(28,29)15-6-4-3-5-7-15/h3-7,16-20,22,26H,8-14H2,1-2H3/t16-,17-,18-,19?,20-,22+,23-,24+,25+/m0/s1
SMILES: C1=CC2[C@H]3[C@H](C1[C@@H]4[C@@H]2C(=O)N(C4=O)CCO)C(=O)N(C3=O)CCO
InChI: InChI=1S/C16H18N2O6/c19-5-3-17-13(21)9-7-1-2-8(11(9)15(17)23)12-10(7)14(22)18(4-6-20)16(12)24/h1-2,7-12,19-20H,3-6H2/t7?,8?,9-,10+,11-,12+
SMILES: CCOC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC=CC=C4Cl
InChI: InChI=1S/C19H19ClN2O4S/c1-2-26-14-9-7-13(8-10-14)21-17-11-27(24,25)12-18(17)22(19(21)23)16-6-4-3-5-15(16)20/h3-10,17-18H,2,11-12H2,1H3/t17-,18-/m1/s1
SMILES: C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)OC(=O)C(C)(C)OC)O)(C)C)O)C)O)C=C
InChI: InChI=1S/C25H40O8/c1-10-22(6)13-15(27)25(30)23(7)14(26)11-12-20(2,3)17(23)16(28)18(24(25,8)33-22)32-19(29)21(4,5)31-9/h10,14,16-18,26,28,30H,1,11-13H2,2-9H3/t14-,16-,17-,18-,22-,23-,24+,25-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)N[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3
InChI: InChI=1S/C18H24N2O2/c1-12-7-6-10-15(13(12)2)19-16-11-17(21)20(18(16)22)14-8-4-3-5-9-14/h3-5,8-9,12-13,15-16,19H,6-7,10-11H2,1-2H3/t12-,13+,15+,16-/m1/s1
SMILES: CC(=O)NC1=CC=C(C=C1)[C@@H]2[C@H](O2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C17H15NO3/c1-11(19)18-14-9-7-13(8-10-14)16-17(21-16)15(20)12-5-3-2-4-6-12/h2-10,16-17H,1H3,(H,18,19)/t16-,17-/m1/s1
SMILES: C[C@@]12CCC3C(=C1CC(O[C@H]2C4=COC=C4)O)C[C@H]5[C@H](C([C@@H]([C@@]3(C5=O)C)CC(=O)OC)(C)C)O
InChI: InChI=1S/C27H36O7/c1-25(2)19(12-20(28)32-5)27(4)17-6-8-26(3)18(15(17)10-16(22(25)30)23(27)31)11-21(29)34-24(26)14-7-9-33-13-14/h7,9,13,16-17,19,21-22,24,29-30H,6,8,10-12H2,1-5H3/t16-,17?,19-,21?,22+,24-,26+,27+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1CN3N=C(C4=C(S3(=O)=O)C=C(C=C4)CC[N+]56CC[N+](CC5)(CC6)CCCO)C7=CC=CC=C7)C(=O)[O-])[C@@H](C)O.[Cl-]
InChI: InChI=1S/C35H44N5O7S.ClH/c1-23-28(33(35(44)45)38-32(23)30(24(2)42)34(38)43)22-37-36-31(26-7-4-3-5-8-26)27-10-9-25(21-29(27)48(37,46)47)11-13-40-17-14-39(15-18-40,16-19-40)12-6-20-41;/h3-5,7-10,21,23-24,30,32,41-42H,6,11-20,22H2,1-2H3;1H/q+1;/p-1/t23-,24+,30+,32+,39?,40?;/m0./s1
SMILES: CN(C)C(=O)C1=CC2=C(N1CC3=CC(=C(C=C3)OC)OC)C[C@@H]4[C@H]2[C@](N(C4)C(=O)C5=CC=CC=C5)(CC6=CC=C(C=C6)OC)C(=O)OC
InChI: InChI=1S/C38H41N3O7/c1-39(2)36(43)31-20-29-30(40(31)22-25-14-17-32(46-4)33(18-25)47-5)19-27-23-41(35(42)26-10-8-7-9-11-26)38(34(27)29,37(44)48-6)21-24-12-15-28(45-3)16-13-24/h7-18,20,27,34H,19,21-23H2,1-6H3/t27-,34+,38+/m0/s1
SMILES: CC(C)[C@@]12C(=O)N3[C@@H]4[C@]([C@@H](C3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)C67[C@@H]([C@@]8(C(=O)N([C@H](C(=O)N8[C@@H]6NC9=CC=CC=C79)CO)C)OC)O
InChI: InChI=1S/C33H36N6O8S2/c1-15(2)32-28(46)39-25-30(17-11-7-9-13-19(17)35-25,23(43)33(39,49-48-32)27(45)37(32)4)29-16-10-6-8-12-18(16)34-24(29)38-21(41)20(14-40)36(3)26(44)31(38,47-5)22(29)42/h6-13,15,20,22-25,34-35,40,42-43H,14H2,1-5H3/t20-,22-,23-,24-,25+,29?,30+,31-,32+,33?/m0/s1
SMILES: C1[C@H]2[C@@H](C(=O)O1)N=C3N([C@H]2C4=CC=CC=C4)C5=CC=CC=C5O3
InChI: InChI=1S/C18H14N2O3/c21-17-15-12(10-22-17)16(11-6-2-1-3-7-11)20-13-8-4-5-9-14(13)23-18(20)19-15/h1-9,12,15-16H,10H2/t12-,15-,16-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=CC=C5OCCO)C(=O)N(C4=O)CC6=CC=CS6
InChI: InChI=1S/C30H27NO6S/c1-16-13-23(33)27-22(28(16)34)14-21-18(25(27)19-6-2-3-7-24(19)37-11-10-32)8-9-20-26(21)30(36)31(29(20)35)15-17-5-4-12-38-17/h2-8,12-13,20-21,25-26,32H,9-11,14-15H2,1H3/t20-,21+,25+,26-/m0/s1
SMILES: C1CCC(C1)CC(=O)N(CC2=CC=CC=C2)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=CC=CC=C45)C(=O)NCCO
InChI: InChI=1S/C29H34N2O5/c32-15-14-30-29(35)22-17-23(27(34)28-26(22)21-12-6-7-13-24(21)36-28)31(18-20-10-2-1-3-11-20)25(33)16-19-8-4-5-9-19/h1-3,6-7,10-13,17,19,23,26-28,32,34H,4-5,8-9,14-16,18H2,(H,30,35)/t23-,26+,27+,28+/m1/s1
SMILES: C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1NC(=O)C(C3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)CN)N.Cl.Cl
InChI: InChI=1S/C26H34N4O2.2ClH/c1-15-20-12-18(26(20,2)3)13-22(15)29-25(32)23(17-7-5-4-6-8-17)30-24(31)19-11-16(14-27)9-10-21(19)28;;/h4-11,15,18,20,22-23H,12-14,27-28H2,1-3H3,(H,29,32)(H,30,31);2*1H/t15-,18+,20-,22-,23?;;/m0../s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)OC(=O)C5=C3O)O[C@@H]7[C@@H]([C@@H]([C@@H]([C@@H](O7)C)O)OC)O)O)O
InChI: InChI=1S/C32H32O14/c1-10-8-9-15-18-16(10)29(38)45-26-17-13(23(35)20(19(18)26)30(39)43-15)6-5-7-14(17)44-32-28(24(36)21(33)11(2)42-32)46-31-25(37)27(40-4)22(34)12(3)41-31/h5-9,11-12,21-22,24-25,27-28,31-37H,1-4H3/t11-,12-,21+,22+,24+,25+,27+,28+,31+,32-/m0/s1
SMILES: C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4C[C@H]5[C@H](O5)C[C@@]4([C@H]3CC2)C
InChI: InChI=1S/C19H30O/c1-18-8-3-4-14(18)13-6-5-12-10-16-17(20-16)11-19(12,2)15(13)7-9-18/h12-17H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1
SMILES: C1[C@H]2CC3=CC=CC=C3[C@H]([C@]2(CC4=CC=CC=C41)C5=CC6=CC=CC=C6C=C5)CBr
InChI: InChI=1S/C29H25Br/c30-19-28-27-12-6-5-10-23(27)17-26-16-22-9-3-4-11-24(22)18-29(26,28)25-14-13-20-7-1-2-8-21(20)15-25/h1-15,26,28H,16-19H2/t26-,28+,29+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=CC4=C(CCC4)C=C3
InChI: InChI=1S/C22H26N2O5/c25-19(23-16-9-8-14-4-3-5-15(14)12-16)13-29-20(26)10-11-24-21(27)17-6-1-2-7-18(17)22(24)28/h8-9,12,17-18H,1-7,10-11,13H2,(H,23,25)/t17-,18-/m1/s1
SMILES: C[C@@H]1CC=C2[C@H]([C@@]1(CCOC3CCCCO3)CO[Si](C)(C)C(C)(C)C)CCC[C@@]2(C)CO
InChI: InChI=1S/C27H50O4Si/c1-21-13-14-22-23(11-10-15-26(22,5)19-28)27(21,20-31-32(6,7)25(2,3)4)16-18-30-24-12-8-9-17-29-24/h14,21,23-24,28H,8-13,15-20H2,1-7H3/t21-,23-,24?,26+,27+/m1/s1
SMILES: C1=CC=C(C=C1)CC[C@@H]2[C@H]([C@H](N(C(=O)N2)CC3=CC(=CC=C3)O)CC4=CC=CC=C4)O
InChI: InChI=1S/C26H28N2O3/c29-22-13-7-12-21(16-22)18-28-24(17-20-10-5-2-6-11-20)25(30)23(27-26(28)31)15-14-19-8-3-1-4-9-19/h1-13,16,23-25,29-30H,14-15,17-18H2,(H,27,31)/t23-,24-,25-/m1/s1
SMILES: C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)O[C@@H]3C([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)CO)O)O)O)O
InChI: InChI=1S/C24H42O21/c25-1-5-9(29)11(31)15(35)21(39-5)43-19-7(3-27)41-23(17(37)13(19)33)45-24-18(38)14(34)20(8(4-28)42-24)44-22-16(36)12(32)10(30)6(2-26)40-22/h5-38H,1-4H2/t5-,6+,7-,8+,9-,10+,11+,12-,13-,14+,15-,16+,17-,18?,19-,20+,21-,22+,23+,24+/m0/s1
SMILES: C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C3=NC=NC(=C3C=N2)NCCCCNC(=O)CCCCC4[C@@H]5[C@H](CS4)NC(=O)N5
InChI: InChI=1S/C24H39N8O13P3S/c33-19(6-2-1-5-18-21-17(13-49-18)30-24(34)31-21)25-9-3-4-10-26-22-16-11-29-32(23(16)28-14-27-22)20-8-7-15(43-20)12-42-47(38,39)45-48(40,41)44-46(35,36)37/h11,14-15,17-18,20-21H,1-10,12-13H2,(H,25,33)(H,38,39)(H,40,41)(H,26,27,28)(H2,30,31,34)(H2,35,36,37)/t15-,17-,18?,20+,21-/m0/s1
SMILES: COC1=CC=CC=C1NC(=S)NNC(=S)N[C@@H]2C[C@H]3C[C@@H]2C=C3
InChI: InChI=1S/C16H20N4OS2/c1-21-14-5-3-2-4-12(14)17-15(22)19-20-16(23)18-13-9-10-6-7-11(13)8-10/h2-7,10-11,13H,8-9H2,1H3,(H2,17,19,22)(H2,18,20,23)/t10-,11+,13-/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=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O
InChI: InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2C[NH+](CC3)C)C(=S)NC[C@H]4CCCO4
InChI: InChI=1S/C19H27N3OS/c1-13-5-6-17-15(10-13)16-12-21(2)8-7-18(16)22(17)19(24)20-11-14-4-3-9-23-14/h5-6,10,14,16,18H,3-4,7-9,11-12H2,1-2H3,(H,20,24)/p+1/t14-,16+,18+/m1/s1
SMILES: C[C@@H]1[C@H](OC2=C1C=C(C=C2OC)NS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C23H23NO5S/c1-15-20-13-17(24-30(25,26)19-7-5-4-6-8-19)14-21(28-3)23(20)29-22(15)16-9-11-18(27-2)12-10-16/h4-15,22,24H,1-3H3/t15-,22-/m0/s1
SMILES: CC(C)[C@H](C1=CC=CC=C1)N[S@](=O)[C@@H]2[C@H]3CC[C@@]([C@@H]2OCC(C)(C)C)(C3(C)C)C
InChI: InChI=1S/C25H41NO2S/c1-17(2)20(18-12-10-9-11-13-18)26-29(27)21-19-14-15-25(8,24(19,6)7)22(21)28-16-23(3,4)5/h9-13,17,19-22,26H,14-16H2,1-8H3/t19-,20-,21-,22-,25+,29-/m1/s1