EdisonScientific/glyph-datasets huggingface dataset:
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=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC=CC=C7)O
InChI: InChI=1S/C33H21Cl2F5N2O6/c1-48-19-11-13(7-10-18(19)43)21-15-8-9-16-20(29(45)41(28(16)44)14-5-3-2-4-6-14)17(15)12-32(34)30(46)42(31(47)33(21,32)35)27-25(39)23(37)22(36)24(38)26(27)40/h2-8,10-11,16-17,20-21,43H,9,12H2,1H3/t16-,17+,20-,21-,32+,33-/m0/s1
SMILES: CCOC1=CC=C(C=C1)O[C@@H](C)C(=O)N/N=C\C2=CC=C(O2)[C@@H]3C[C@@H]3C
InChI: InChI=1S/C20H24N2O4/c1-4-24-15-5-7-16(8-6-15)25-14(3)20(23)22-21-12-17-9-10-19(26-17)18-11-13(18)2/h5-10,12-14,18H,4,11H2,1-3H3,(H,22,23)/b21-12-/t13-,14-,18+/m0/s1
SMILES: C[C@@H]([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)C5=NC[C@](CC5)(C)O
InChI: InChI=1S/C27H43NO2/c1-17(24-11-12-25(2,30)16-28-24)21-7-8-22-20-6-5-18-15-19(29)9-13-26(18,3)23(20)10-14-27(21,22)4/h5,17,19-23,29-30H,6-16H2,1-4H3/t17-,19-,20-,21+,22-,23-,25+,26-,27+/m0/s1
SMILES: C[C@]1([C@@](O[C@@H]2[C@@H]3[C@H](C[C@H]([C@H]2O1)O)CON3C)(C)OC)OC
InChI: InChI=1S/C14H25NO6/c1-13(17-4)14(2,18-5)21-12-10-8(7-19-15(10)3)6-9(16)11(12)20-13/h8-12,16H,6-7H2,1-5H3/t8-,9-,10+,11-,12-,13+,14+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)N2C[C@@H]3[C@@H]4N([C@H](CO4)C5=CC=CC=C5)C(=O)[C@@]3(C2)I
InChI: InChI=1S/C22H23IN2O2/c1-15(16-8-4-2-5-9-16)24-12-18-20-25(21(26)22(18,23)14-24)19(13-27-20)17-10-6-3-7-11-17/h2-11,15,18-20H,12-14H2,1H3/t15-,18-,19-,20-,22+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](CC2=NC(=C([C@H](C2C1=O)C3=C(C(=CC=C3)OC)OC)C(=O)OCC)C)C4=CC=CC=C4OC
InChI: InChI=1S/C31H35NO8/c1-7-39-30(34)24-17(3)32-21-16-20(18-12-9-10-14-22(18)36-4)26(31(35)40-8-2)28(33)27(21)25(24)19-13-11-15-23(37-5)29(19)38-6/h9-15,20,25-27H,7-8,16H2,1-6H3/t20-,25+,26+,27?/m0/s1
SMILES: CC1=C2C(=C(C=C1)CO)[C@H]3C=CC[C@H]3[C@@H](N2)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C21H21NO3/c1-12-5-6-15(11-23)18-16-3-2-4-17(16)20(22-19(12)18)13-7-9-14(10-8-13)21(24)25/h2-3,5-10,16-17,20,22-23H,4,11H2,1H3,(H,24,25)/t16-,17+,20-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)CCNC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC=C(C=C5)I)OC(O4)(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C41H46IN3O10/c1-39(2,3)52-32(48)19-18-29(24-46)44-31(47)20-21-43-38(50)40-22-30-33-34(54-41(53-33,26-10-6-4-7-11-26)27-12-8-5-9-13-27)36(40)55-45(35(40)37(49)51-30)23-25-14-16-28(42)17-15-25/h4-17,29-30,33-36,46H,18-24H2,1-3H3,(H,43,50)(H,44,47)/t29-,30+,33-,34-,35-,36+,40-/m0/s1
SMILES: C[C@H]1C=CC[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C
InChI: InChI=1S/C23H22N2O3/c1-14-6-3-4-9-19(14)24-21(26)16-10-12-17(13-11-16)25-22(27)18-8-5-7-15(2)20(18)23(25)28/h3-7,9-13,15,18,20H,8H2,1-2H3,(H,24,26)/t15-,18-,20-/m0/s1
SMILES: CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CCC3=CNC4=CC=CC=C43
InChI: InChI=1S/C22H31N3O/c1-24(20-10-4-5-11-21(20)25-14-6-7-15-25)22(26)13-12-17-16-23-19-9-3-2-8-18(17)19/h2-3,8-9,16,20-21,23H,4-7,10-15H2,1H3/t20-,21-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OC)C
InChI: InChI=1S/C21H30O4/c1-20-10-8-14(25-19(23)24-3)12-13(20)4-5-15-16-6-7-18(22)21(16,2)11-9-17(15)20/h4,14-17H,5-12H2,1-3H3/t14-,15-,16-,17-,20-,21-/m0/s1
SMILES: COC(=O)C1=C(N2[C@H](CC1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)OCC=C)C(=O)OCC=C
InChI: InChI=1S/C25H27N3O8/c1-4-13-35-24(32)20-16(23(31)34-3)11-12-17-19(22(30)28(17)20)26-21(29)18(15-9-7-6-8-10-15)27-25(33)36-14-5-2/h4-10,17-19H,1-2,11-14H2,3H3,(H,26,29)(H,27,33)/t17-,18?,19+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O
InChI: InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
SMILES: C[C@]12CC[C@H](O[C@@H]1[C@@H]3[C@@H](CCC(=O)C2)C(=C)C(=O)O3)O
InChI: InChI=1S/C15H20O5/c1-8-10-4-3-9(16)7-15(2)6-5-11(17)19-13(15)12(10)20-14(8)18/h10-13,17H,1,3-7H2,2H3/t10-,11-,12-,13+,15+/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)NCCCN4C5=CC=CC=C5N=N4)C
InChI: InChI=1S/C40H63N7O10/c1-12-30-40(8)33(47(38(52)57-40)41-18-15-19-46-28-17-14-13-16-27(28)43-44-46)26(6)42-35(50)22(2)21-39(7,53-11)34(24(4)31(48)25(5)36(51)55-30)56-37-32(49)29(45(9)10)20-23(3)54-37/h13-14,16-17,22-26,29-30,32-34,37,41,49H,12,15,18-21H2,1-11H3,(H,42,50)/t22-,23-,24+,25-,26?,29+,30-,32-,33-,34-,37+,39+,40-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)ON=C3C4=C(C=C(C=C4)OC)OC)[N+](=O)[O-]
InChI: InChI=1S/C20H17N3O7/c1-10-4-5-11(8-14(10)23(26)27)22-19(24)16-17(21-30-18(16)20(22)25)13-7-6-12(28-2)9-15(13)29-3/h4-9,16,18H,1-3H3/t16-,18+/m0/s1
SMILES: COC(=O)C1=CC(=C(C=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C14H18O9/c1-21-13(20)6-2-3-7(16)8(4-6)22-14-12(19)11(18)10(17)9(5-15)23-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)OCOCC[Si](C)(C)C)C=O)CO[C@H]5C=C[C@@H]([C@H](O5)C)O
InChI: InChI=1S/C32H50O7Si/c1-20(2)26-14-23-15-30(17-33)25-9-8-21(3)24(25)16-31(23,18-37-28-11-10-27(34)22(4)39-28)32(26,30)29(35)38-19-36-12-13-40(5,6)7/h10-11,14,17,20-25,27-28,34H,8-9,12-13,15-16,18-19H2,1-7H3/t21-,22-,23+,24-,25-,27+,28-,30+,31+,32+/m1/s1
SMILES: CC1=CC[C@]2(CC[C@@]([C@@H]2[C@@H](C1)OC(=O)C3=CC=C(C=C3)O)(C(C)C)O)C
InChI: InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19-,21+,22+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C
InChI: InChI=1S/C17H23N5OS/c1-12-7-9-14(10-8-12)22-17(19-20-21-22)24-11-16(23)18-15-6-4-3-5-13(15)2/h7-10,13,15H,3-6,11H2,1-2H3,(H,18,23)/t13-,15+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CCO)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C16H24N2O5S/c1-7-12-11(8(2)20)15(21)18(12)13(16(22)23)14(7)24-10-5-9(3-4-19)17-6-10/h7-12,17,19-20H,3-6H2,1-2H3,(H,22,23)/t7-,8-,9-,10+,11-,12-/m1/s1
SMILES: CC(C)[C@@H](C(=O)NC(=O)N)OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O
InChI: InChI=1S/C16H23N3O6/c1-8(2)12(13(21)18-16(17)24)25-11(20)7-19-14(22)9-5-3-4-6-10(9)15(19)23/h8-10,12H,3-7H2,1-2H3,(H3,17,18,21,24)/t9-,10-,12-/m0/s1
SMILES: C[C@@H]1C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2N(C1=O)C)CC[C@@H]4O)C)C
InChI: InChI=1S/C20H33NO2/c1-12-11-20(3)15-9-10-19(2)14(6-8-17(19)22)13(15)5-7-16(20)21(4)18(12)23/h12-17,22H,5-11H2,1-4H3/t12-,13+,14+,15+,16-,17+,19+,20-/m1/s1
SMILES: CC(C)C(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@H]2S1)CC3=CC=CC=C3OC
InChI: InChI=1S/C17H22N2O4S2/c1-11(2)16(20)18-17-19(8-12-6-4-5-7-14(12)23-3)13-9-25(21,22)10-15(13)24-17/h4-7,11,13,15H,8-10H2,1-3H3/t13-,15-/m1/s1
SMILES: C=CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C15H16N2O4S2/c1-2-5-22-15-16-11-7-23(18,19)8-12(11)17(15)10-3-4-13-14(6-10)21-9-20-13/h2-4,6,11-12H,1,5,7-9H2/t11-,12-/m1/s1
SMILES: C1CC[NH+](CC1)CN2C(=O)[C@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C24H24N2O2/c27-23-21-19-15-8-2-3-9-16(15)20(18-11-5-4-10-17(18)19)22(21)24(28)26(23)14-25-12-6-1-7-13-25/h2-5,8-11,19-22H,1,6-7,12-14H2/p+1/t19?,20?,21-,22-/m1/s1
SMILES: CC(=O)[C@H]1CCC(=O)N2[C@@]1(OC[C@@H]2C3=CC=CC=C3)C
InChI: InChI=1S/C16H19NO3/c1-11(18)13-8-9-15(19)17-14(10-20-16(13,17)2)12-6-4-3-5-7-12/h3-7,13-14H,8-10H2,1-2H3/t13-,14-,16-/m1/s1
SMILES: CC1=CC(=C(C(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C
InChI: InChI=1S/C22H26N2O10/c1-10-7-11(2)24(21(29)16(10)8-23)22-20(33-15(6)28)19(32-14(5)27)18(31-13(4)26)17(34-22)9-30-12(3)25/h7,17-20,22H,9H2,1-6H3/t17-,18-,19+,20-,22-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C\C2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C16H21N3O4/c1-12-5-2-3-8-15(12)18-16(20)11-23-17-10-13-6-4-7-14(9-13)19(21)22/h4,6-7,9-10,12,15H,2-3,5,8,11H2,1H3,(H,18,20)/b17-10-/t12-,15+/m1/s1
SMILES: C[C@@H]1C[C@]2([C@]3([C@@H](O1)O[C@@H]4C[C@@H]5CC[C@@H]6[C@@H]([C@]5(C[C@H]4O3)COC(=O)C7=CC=CC=C7)CC[C@]8([C@@]6(CC[C@@H]8C9=CC(=O)OC9)O)C)O)N=CCS2
InChI: InChI=1S/C38H47NO9S/c1-22-18-37(39-14-15-49-37)38(43)33(46-22)47-29-17-25-8-9-28-27(10-12-34(2)26(11-13-36(28,34)42)24-16-31(40)44-20-24)35(25,19-30(29)48-38)21-45-32(41)23-6-4-3-5-7-23/h3-7,14,16,22,25-30,33,42-43H,8-13,15,17-21H2,1-2H3/t22-,25+,26-,27+,28-,29-,30-,33+,34-,35-,36+,37+,38-/m1/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)CCC(=O)O)C5=C(C=C(C=C5)OCC6=CC=CC=C6)O
InChI: InChI=1S/C33H29NO8/c1-17-13-25(35)24-15-23-20(9-10-22-29(23)33(41)34(32(22)40)12-11-27(37)38)28(30(24)31(17)39)21-8-7-19(14-26(21)36)42-16-18-5-3-2-4-6-18/h2-9,13-14,22-23,28-29,36H,10-12,15-16H2,1H3,(H,37,38)/t22-,23+,28+,29-/m0/s1
SMILES: COC1=CC=CC=C1NC(=O)[C@H]2[C@@H](NC(=O)NC2=C)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C19H17Cl2N3O3/c1-10-16(18(25)23-14-5-3-4-6-15(14)27-2)17(24-19(26)22-10)11-7-8-12(20)13(21)9-11/h3-9,16-17H,1H2,2H3,(H,23,25)(H2,22,24,26)/t16-,17+/m1/s1
SMILES: CO[C@@H]1[C@@H](N(C1=O)CCC#C)[C@@H](CC(=C)C2=CC=CC=C2)OS(=O)(=O)C
InChI: InChI=1S/C19H23NO5S/c1-5-6-12-20-17(18(24-3)19(20)21)16(25-26(4,22)23)13-14(2)15-10-8-7-9-11-15/h1,7-11,16-18H,2,6,12-13H2,3-4H3/t16-,17+,18-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H](C(O1)(COS(=O)(=O)C)COS(=O)(=O)C)OCC2=CC=C(C=C2)OC)O
InChI: InChI=1S/C17H26O11S2/c1-23-13-7-5-12(6-8-13)9-25-15-14(18)16(24-2)28-17(15,10-26-29(3,19)20)11-27-30(4,21)22/h5-8,14-16,18H,9-11H2,1-4H3/t14-,15+,16-/m0/s1
SMILES: CC[C@H](C1=CC=C(C=C1)C)NC(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C21H29N3O3/c1-4-17(16-10-8-14(2)9-11-16)22-18(25)13-24-19(26)21(23-20(24)27)12-6-5-7-15(21)3/h8-11,15,17H,4-7,12-13H2,1-3H3,(H,22,25)(H,23,27)/t15-,17+,21-/m0/s1
SMILES: CN1C=CN=C1SCC(=O)N2[C@@H]([C@H]3CCC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)F
InChI: InChI=1S/C23H21FN4OS/c1-27-13-12-25-23(27)30-14-20(29)28-22(16-6-9-17(24)10-7-16)19-11-8-15-4-2-3-5-18(15)21(19)26-28/h2-7,9-10,12-13,19,22H,8,11,14H2,1H3/t19-,22+/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N(C)CC(=O)NC3=C(C=CC=C3C)C
InChI: InChI=1S/C22H30N4O4/c1-14-8-7-9-15(2)19(14)23-17(27)12-25(4)18(28)13-26-20(29)22(24-21(26)30)11-6-5-10-16(22)3/h7-9,16H,5-6,10-13H2,1-4H3,(H,23,27)(H,24,30)/t16-,22+/m0/s1
SMILES: C[C@@H]1CC2=CC=CC=C2[C@H]1NC(=O)COC3=CC=C(C=C3)OC4=CC=CC=C4
InChI: InChI=1S/C24H23NO3/c1-17-15-18-7-5-6-10-22(18)24(17)25-23(26)16-27-19-11-13-21(14-12-19)28-20-8-3-2-4-9-20/h2-14,17,24H,15-16H2,1H3,(H,25,26)/t17-,24+/m1/s1
SMILES: CC(C)NC1=C2C(=NC(=N1)I)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C13H18IN5O4/c1-5(2)16-10-7-11(18-13(14)17-10)19(4-15-7)12-9(22)8(21)6(3-20)23-12/h4-6,8-9,12,20-22H,3H2,1-2H3,(H,16,17,18)/t6-,8-,9-,12-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CO[C@@H]3[C@@H]4[C@H](O[C@@H]3[C@@H](CO)O)OC(O4)(C)C)OCC=C)C
InChI: InChI=1S/C20H32O10/c1-6-7-23-13-11(25-17-15(13)27-19(2,3)29-17)9-24-14-12(10(22)8-21)26-18-16(14)28-20(4,5)30-18/h6,10-18,21-22H,1,7-9H2,2-5H3/t10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8+,9+,10-,11+,12?/m0/s1
SMILES: CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4[C@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C35H27NO5/c1-19-11-12-20(2)27(17-19)28(37)18-41-35(40)21-13-15-22(16-14-21)36-33(38)31-29-23-7-3-4-8-24(23)30(32(31)34(36)39)26-10-6-5-9-25(26)29/h3-17,29-32H,18H2,1-2H3/t29?,30?,31-,32-/m1/s1
SMILES: CC[C@@H]1[C@H](OC(=O)C(C1=O)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C15H17NO5/c1-4-11-12(21-14(18)15(2,3)13(11)17)9-5-7-10(8-6-9)16(19)20/h5-8,11-12H,4H2,1-3H3/t11-,12-/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=C4CNC(=O)C)CN(C)[C@@H](C)C5=CC=CC=C5
InChI: InChI=1S/C37H42N2O4/c1-25-35(23-39(4)26(2)29-10-6-5-7-11-29)42-37(43-36(25)31-16-14-28(24-40)15-17-31)32-20-18-30(19-21-32)34-13-9-8-12-33(34)22-38-27(3)41/h5-21,25-26,35-37,40H,22-24H2,1-4H3,(H,38,41)/t25-,26-,35+,36+,37+/m0/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)NC6=CC(=C(C=C6)Cl)[N+](=O)[O-]
InChI: InChI=1S/C27H25ClN4O5/c28-19-11-10-16(14-20(19)32(36)37)29-25(33)24-22-21(23-18-9-5-4-6-15(18)12-13-30(23)24)26(34)31(27(22)35)17-7-2-1-3-8-17/h4-6,9-14,17,21-24H,1-3,7-8H2,(H,29,33)/t21-,22+,23+,24-/m0/s1
SMILES: C[C@@]12C[C@H](CC([C@@]1(O2)/C=C/OCC[Si](C)(C)C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H44O3Si2/c1-19(2,3)27(10,11)24-18-16-20(4,5)22(21(6,17-18)25-22)12-13-23-14-15-26(7,8)9/h12-13,18H,14-17H2,1-11H3/b13-12+/t18-,21+,22-/m0/s1
SMILES: CCCC(=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)F)O)C)C)C(=O)CSCCO
InChI: InChI=1S/C28H39FO6S/c1-5-6-24(34)35-28(23(33)16-36-12-11-30)17(2)13-21-20-8-7-18-14-19(31)9-10-25(18,3)27(20,29)22(32)15-26(21,28)4/h9-10,14,17,20-22,30,32H,5-8,11-13,15-16H2,1-4H3/t17-,20-,21-,22-,25-,26-,27-,28-/m0/s1
SMILES: CN1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OC)Br
InChI: InChI=1S/C20H18BrN5O/c1-26-6-5-13-14(8-22)19(25)20(10-23,11-24)18(15(13)9-26)12-3-4-17(27-2)16(21)7-12/h3-5,7,15,18H,6,9,25H2,1-2H3/t15-,18-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C2=C(NC1=C)N(C(=O)N(C2=O)C)C)C3=CC=C(C=C3)OC(F)F
InChI: InChI=1S/C20H21F2N3O5/c1-5-29-18(27)13-10(2)23-16-15(17(26)25(4)20(28)24(16)3)14(13)11-6-8-12(9-7-11)30-19(21)22/h6-9,13-14,19,23H,2,5H2,1,3-4H3/t13-,14+/m0/s1
SMILES: CC1=CC=CC=C1[C@H]2[C@H](C([C@H]([C@H](N2)C3=CC=CC=C3C)[N+](=O)[O-])(C)C)[N+](=O)[O-]
InChI: InChI=1S/C21H25N3O4/c1-13-9-5-7-11-15(13)17-19(23(25)26)21(3,4)20(24(27)28)18(22-17)16-12-8-6-10-14(16)2/h5-12,17-20,22H,1-4H3/t17-,18+,19+,20-
SMILES: C[C@]12CC[C@](C[C@@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)OC
InChI: InChI=1S/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22+,23-,24+,27-,28+,29+,30-,31-/m1/s1
SMILES: CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
InChI: InChI=1S/C23H31NO7/c1-24-9-8-23-7-3-2-4-14(23)16(24)10-12-5-6-13(11-15(12)23)30-22-19(27)17(25)18(26)20(31-22)21(28)29/h5-6,11,14,16-20,22,25-27H,2-4,7-10H2,1H3,(H,28,29)/t14-,16+,17+,18+,19-,20+,22-,23+/m1/s1
SMILES: C1CCC2(CC1)OC(=C(C(=O)O2)[C@@H]3[C@@H](C=C(C3=O)Br)N4CCN(CC4)C5=CC=CC=C5)O
InChI: InChI=1S/C24H27BrN2O5/c25-17-15-18(27-13-11-26(12-14-27)16-7-3-1-4-8-16)19(21(17)28)20-22(29)31-24(32-23(20)30)9-5-2-6-10-24/h1,3-4,7-8,15,18-19,29H,2,5-6,9-14H2/t18-,19+/m1/s1
SMILES: CCCCC(C1=CC=CC=C1)NC(=O)CN2C[C@@H]([C@H]([C@@H]2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C32H36N2O6/c1-3-4-10-26(21-8-6-5-7-9-21)33-29(35)19-34-18-25(23-13-16-27-28(17-23)40-20-39-27)30(32(36)37)31(34)22-11-14-24(38-2)15-12-22/h5-9,11-17,25-26,30-31H,3-4,10,18-20H2,1-2H3,(H,33,35)(H,36,37)/t25-,26?,30-,31+/m1/s1
SMILES: CCCCC1=NC2=C(C=C(C=C2)C3=NN[C@H]4[C@@H]3C(=O)N(C4=O)C)C(=O)N1CC5=CC=C(C=C5)C6=CC=CC=C6C7=NNN=N7
InChI: InChI=1S/C32H29N9O3/c1-3-4-9-25-33-24-15-14-20(27-26-28(35-34-27)32(44)40(2)31(26)43)16-23(24)30(42)41(25)17-18-10-12-19(13-11-18)21-7-5-6-8-22(21)29-36-38-39-37-29/h5-8,10-16,26,28,35H,3-4,9,17H2,1-2H3,(H,36,37,38,39)/t26-,28+/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@H]([NH+]4[C@@H]3C5=CC=CC=C5C=C4)C(=O)N
InChI: InChI=1S/C22H19N3O4/c1-29-14-8-6-13(7-9-14)25-21(27)16-17(22(25)28)19(20(23)26)24-11-10-12-4-2-3-5-15(12)18(16)24/h2-11,16-19H,1H3,(H2,23,26)/p+1/t16-,17+,18+,19-/m0/s1
SMILES: C[C@@H]1[C@H]([C@H]2C(=O)C(=C[C@@]1(C2=O)C)O)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C18H20O5/c1-9-14(10-5-6-12(22-3)13(7-10)23-4)15-16(20)11(19)8-18(9,2)17(15)21/h5-9,14-15,19H,1-4H3/t9-,14+,15+,18+/m1/s1
SMILES: C1CCC(=C2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)CC1
InChI: InChI=1S/C40H44O5/c1-6-16-31(17-7-1)26-41-30-36-38(42-27-32-18-8-2-9-19-32)40(44-29-34-22-12-4-13-23-34)39(43-28-33-20-10-3-11-21-33)37(45-36)35-24-14-5-15-25-35/h1-4,6-13,16-23,36,38-40H,5,14-15,24-30H2/t36-,38-,39+,40+/m1/s1
SMILES: C[C@@]12[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3[C@@]1([C@@H]5[C@H]2[C@@H]6C[C@H]5[C@@H]7[C@H]6[C@@H]8CC[C@H]7[C@H]([C@@H]8CO)CO)C
InChI: InChI=1S/C26H38O2/c1-25-21-11-3-4-12(7-11)22(21)26(25,2)24-16-8-15(23(24)25)19-13-5-6-14(20(16)19)18(10-28)17(13)9-27/h11-24,27-28H,3-10H2,1-2H3/t11-,12+,13-,14+,15-,16+,17-,18-,19+,20-,21+,22-,23-,24+,25+,26-/m1/s1
SMILES: CCOC(=O)/C=C/1\CC[C@@H]([C@H]1CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C17H32O3Si/c1-8-19-16(18)11-14-10-9-13(2)15(14)12-20-21(6,7)17(3,4)5/h11,13,15H,8-10,12H2,1-7H3/b14-11+/t13-,15+/m0/s1
SMILES: C[C@H]1C[C@H]1C(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3
InChI: InChI=1S/C20H21NO3/c1-13-12-17(13)20(23)24-14(2)19(22)21-18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-11,13-14,17H,12H2,1-2H3,(H,21,22)/t13-,14-,17+/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)C
InChI: InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17-,18+,19+,20+,22+,23+,24-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@@](CC4=C2C(=O)C5=C(C4=O)C6=C(C=C5O)OC(O6)(C7=CC=CC=C7)C8=CC=CC=C8)(OC(O3)(C)C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C45H44O17/c1-21(46)53-20-30-37(54-22(2)47)39(55-23(3)48)40(56-24(4)49)42(57-30)58-38-31-27(19-44(7)41(38)61-43(5,6)62-44)34(51)33-32(35(31)52)28(50)18-29-36(33)60-45(59-29,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-18,30,37-42,50H,19-20H2,1-7H3/t30-,37-,38-,39+,40-,41+,42+,44-/m1/s1
SMILES: CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.CS(=O)(=O)O
InChI: InChI=1S/C19H26Cl2N2O.CH4O3S/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;1-5(2,3)4/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H3,(H,2,3,4)/t17-,18-;/m1./s1
SMILES: C[C@H]1[C@@H]2CCC3([C@H](O3)CC[C@@]4([C@H]([C@H]2OC1=O)O4)C)C
InChI: InChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(18-14)5-7-15(3)12(19-15)11(9)17-13(8)16/h8-12H,4-7H2,1-3H3/t8-,9-,10+,11-,12-,14?,15+/m0/s1
SMILES: CCN(CC)CC.CCN(CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SCP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H34N2O20P2S.2C6H15N/c1-10(27)39-7-15-19(41-11(2)28)20(42-12(3)29)21(43-13(4)30)23(45-15)49-9-47(35,36)46-48(37,38)40-8-14-17(32)18(33)22(44-14)26-6-5-16(31)25-24(26)34;2*1-4-7(5-2)6-3/h5-6,14-15,17-23,32-33H,7-9H2,1-4H3,(H,35,36)(H,37,38)(H,25,31,34);2*4-6H2,1-3H3/t14-,15-,17-,18-,19-,20+,21-,22-,23+;;/m1../s1
SMILES: CCC[C@@H](C[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@]4([C@@]3(CCC[C@H]4C)C)C)C)C(=O)OC
InChI: InChI=1S/C30H52O2/c1-8-10-22(27(31)32-7)19-20(2)24-12-13-25-23-14-18-29(5)21(3)11-9-16-30(29,6)26(23)15-17-28(24,25)4/h20-26H,8-19H2,1-7H3/t20-,21-,22+,23+,24?,25+,26+,28-,29+,30-/m1/s1
SMILES: C[C@H]1[C@H]2C[C@@H]([C@@H]1C(=O)OCC3=CC=CC=C3)C=C2
InChI: InChI=1S/C16H18O2/c1-11-13-7-8-14(9-13)15(11)16(17)18-10-12-5-3-2-4-6-12/h2-8,11,13-15H,9-10H2,1H3/t11-,13+,14-,15+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C(C)C
InChI: InChI=1S/C22H32N4O3/c1-13(2)19-10-16(17-11-23-26(14(3)4)21(17)25-19)22(28)29-12-20(27)24-18-9-7-6-8-15(18)5/h10-11,13-15,18H,6-9,12H2,1-5H3,(H,24,27)/t15-,18-/m1/s1
SMILES: CC1(C=C(C2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC)[18F])C
InChI: InChI=1S/C23H21FO6/c1-23(2)9-13(24)20-14(30-23)6-5-11-21(25)19-12-7-16(26-3)17(27-4)8-15(12)28-10-18(19)29-22(11)20/h5-9,18-19H,10H2,1-4H3/t18-,19+/m1/s1/i24-1
SMILES: CC[C@@](C)(C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H]2CC[C@H](C2)C(=O)N[C@H]3CCCC[C@@H]3N)NC(=O)/C=C/C4=CC=C(C=C4)C
InChI: InChI=1S/C36H49N5O4/c1-4-36(3,41-32(42)21-18-25-16-14-24(2)15-17-25)35(45)40-31(22-26-10-6-5-7-11-26)34(44)38-28-20-19-27(23-28)33(43)39-30-13-9-8-12-29(30)37/h5-7,10-11,14-18,21,27-31H,4,8-9,12-13,19-20,22-23,37H2,1-3H3,(H,38,44)(H,39,43)(H,40,45)(H,41,42)/b21-18+/t27-,28+,29+,30+,31-,36+/m1/s1
SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(O3)O)O)C
InChI: InChI=1S/C24H38O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-23,25-26H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,22?,23-/m0/s1
SMILES: C[C@]12CCC=C([C@@H]1CC[C@@H]2OCOC)C(=O)CC(=O)OCC=C
InChI: InChI=1S/C18H26O5/c1-4-10-22-17(20)11-15(19)13-6-5-9-18(2)14(13)7-8-16(18)23-12-21-3/h4,6,14,16H,1,5,7-12H2,2-3H3/t14-,16-,18-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@@H]2C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(C5=CC=CC=C5)(C6=CC=CC=C6)O
InChI: InChI=1S/C33H32O2/c34-32(26-13-5-1-6-14-26,27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)33(35,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,24-25,30-31,34-35H,21-23H2/t24-,25+,30-,31-/m1/s1
SMILES: CC(=O)OC[C@@]12CO[C@@H]([C@H]1OCC3=CC=C(C=C3)OC)[C@@H](O2)OC
InChI: InChI=1S/C17H22O7/c1-11(18)22-9-17-10-23-14(16(20-3)24-17)15(17)21-8-12-4-6-13(19-2)7-5-12/h4-7,14-16H,8-10H2,1-3H3/t14-,15+,16+,17+/m0/s1
SMILES: CCCCC[C@H]\1[C@@H]([NH+]([C@@H](C/C1=N/O)C2=CC=CC=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C23H30N2O/c1-3-4-7-16-20-21(24-26)17-22(18-12-8-5-9-13-18)25(2)23(20)19-14-10-6-11-15-19/h5-6,8-15,20,22-23,26H,3-4,7,16-17H2,1-2H3/p+1/b24-21-/t20-,22+,23+/m1/s1
SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(OCC1=CC=CC=C1)O[C@@H]2CC[C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C60H81O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-30-43-62-49-56(63-44-51-31-20-15-21-32-51)50-68-70(61,67-48-55-39-28-19-29-40-55)69-58-42-41-57(64-45-52-33-22-16-23-34-52)59(65-46-53-35-24-17-25-36-53)60(58)66-47-54-37-26-18-27-38-54/h15-29,31-40,56-60H,2-14,30,41-50H2,1H3/t56-,57-,58-,59+,60+,70?/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(=N/NC5=CC=C(C=C5)C(C)C)/C4)C)C
InChI: InChI=1S/C36H58N2/c1-24(2)9-8-10-26(5)32-17-18-33-31-16-13-28-23-30(38-37-29-14-11-27(12-15-29)25(3)4)19-21-35(28,6)34(31)20-22-36(32,33)7/h11-12,14-15,24-26,28,31-34,37H,8-10,13,16-23H2,1-7H3/b38-30-/t26-,28+,31-,32-,33+,34+,35+,36-/m1/s1
SMILES: C[C@H]1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]
InChI: InChI=1S/C16H16N2O4/c1-9-6-7-11(8-13(9)18(21)22)17-15(19)12-5-3-4-10(2)14(12)16(17)20/h3-4,6-8,10,12,14H,5H2,1-2H3/t10-,12-,14+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(=CC(=O)OC)C(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)C(C)C
InChI: InChI=1S/C26H42O6/c1-15(2)19-10-8-17(5)12-22(19)31-25(28)21(14-24(27)30-7)26(29)32-23-13-18(6)9-11-20(23)16(3)4/h14-20,22-23H,8-13H2,1-7H3/t17-,18-,19+,20+,22-,23-/m1/s1
SMILES: CC(C)CN1C[C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C1=O)C(=O)OC
InChI: InChI=1S/C14H19NO4/c1-8(2)6-15-7-14-5-4-9(19-14)10(13(17)18-3)11(14)12(15)16/h4-5,8-11H,6-7H2,1-3H3/t9-,10+,11+,14-/m1/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@H]5[C@@H]([C@H]1OC(O5)(C)C)C)C)OC(=O)C)C)OC)C)C(=C2SCCNC(=O)CI)O)O)/C
InChI: InChI=1S/C44H57IN2O13S/c1-20-13-12-14-21(2)42(54)47-32-34(51)30-29(35(52)40(32)61-18-16-46-28(49)19-45)31-39(23(4)33(30)50)60-44(10,41(31)53)56-17-15-27(55-11)22(3)37(57-26(7)48)25(6)38-24(5)36(20)58-43(8,9)59-38/h12-15,17,20,22,24-25,27,36-38,50-52H,16,18-19H2,1-11H3,(H,46,49)(H,47,54)/b13-12+,17-15+,21-14-/t20-,22+,24+,25-,27-,36-,37+,38+,44-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[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/C30H46O6Si/c1-21(2)37(22(3)4,23(5)6)36-29-28(34-20-25-16-12-9-13-17-25)27(26(18-31)35-30(29)32-7)33-19-24-14-10-8-11-15-24/h8-17,21-23,26-31H,18-20H2,1-7H3/t26-,27-,28+,29-,30-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F
InChI: InChI=1S/C21H31FN4O2/c1-16-5-2-3-8-19(16)24-21(28)15-26-11-9-25(10-12-26)14-20(27)23-18-7-4-6-17(22)13-18/h4,6-7,13,16,19H,2-3,5,8-12,14-15H2,1H3,(H,23,27)(H,24,28)/p+2/t16-,19+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]2CC(=O)N(C2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H24ClN3O2/c1-12-4-2-3-5-16(12)21-18(24)20-14-10-17(23)22(11-14)15-8-6-13(19)7-9-15/h6-9,12,14,16H,2-5,10-11H2,1H3,(H2,20,21,24)/t12-,14-,16-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC3=C(C(=C2)Cl)OCO3
InChI: InChI=1S/C17H22ClN3O3S/c1-9-4-3-5-13(10(9)2)19-17(25)21-20-16(22)11-6-12(18)15-14(7-11)23-8-24-15/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,20,22)(H2,19,21,25)/t9-,10+,13+/m0/s1